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_C 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 0.000 176.555 176.600 -0.074 0.000 0.988 1 K CA 0.000 56.224 56.287 -0.105 0.000 0.838 1 K CB 0.000 32.396 32.500 -0.173 0.000 1.064 2 L N 2.757 123.937 121.223 -0.073 0.000 2.322 2 L HA 0.401 4.740 4.340 -0.000 0.000 0.279 2 L C 1.170 178.035 176.870 -0.009 0.000 1.036 2 L CA -0.354 54.464 54.840 -0.037 0.000 0.807 2 L CB 1.137 43.171 42.059 -0.042 0.000 1.226 2 L HN 0.632 nan 8.230 nan 0.000 0.433 3 N N 0.643 119.354 118.700 0.017 0.000 2.120 3 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 3 N C 0.054 175.591 175.510 0.045 0.000 1.024 3 N CA 1.093 54.163 53.050 0.034 0.000 0.852 3 N CB 0.210 38.729 38.487 0.054 0.000 1.003 3 N HN 0.560 nan 8.380 nan 0.000 0.424 4 D N 0.046 120.478 120.400 0.054 0.000 2.461 4 D HA 0.145 4.785 4.640 -0.000 0.000 0.240 4 D C 0.633 176.933 176.300 0.000 0.000 1.094 4 D CA -0.238 53.782 54.000 0.034 0.000 0.868 4 D CB 0.919 41.742 40.800 0.038 0.000 1.062 4 D HN 0.035 nan 8.370 nan 0.000 0.530 5 S N 3.204 118.902 115.700 -0.003 0.000 2.447 5 S HA -0.125 4.344 4.470 -0.000 0.000 0.233 5 S C 1.268 175.864 174.600 -0.008 0.000 1.006 5 S CA 0.380 58.580 58.200 -0.000 0.000 0.957 5 S CB -0.015 63.183 63.200 -0.002 0.000 0.773 5 S HN 0.397 nan 8.310 nan 0.000 0.507 6 N N 1.554 120.227 118.700 -0.045 0.000 2.571 6 N HA 0.168 4.908 4.740 -0.000 0.000 0.189 6 N C 1.262 176.702 175.510 -0.118 0.000 1.154 6 N CA 0.419 53.409 53.050 -0.099 0.000 0.907 6 N CB -0.399 38.030 38.487 -0.096 0.000 0.977 6 N HN 0.483 nan 8.380 nan 0.000 0.449 7 L N -0.746 120.439 121.223 -0.062 0.000 2.240 7 L HA 0.043 4.382 4.340 -0.000 0.000 0.211 7 L C 0.515 177.403 176.870 0.031 0.000 1.106 7 L CA 0.182 55.005 54.840 -0.029 0.000 0.793 7 L CB -0.171 41.877 42.059 -0.020 0.000 0.927 7 L HN 0.024 nan 8.230 nan 0.000 0.446 8 F N 2.455 122.311 119.950 -0.158 0.000 2.434 8 F HA 0.282 4.809 4.527 -0.001 0.000 0.358 8 F C 0.342 176.000 175.800 -0.236 0.000 1.136 8 F CA -0.647 57.223 58.000 -0.216 0.000 1.157 8 F CB -0.027 38.818 39.000 -0.258 0.000 1.167 8 F HN -0.147 nan 8.300 nan 0.000 0.539 9 R N 5.315 125.487 120.500 -0.546 0.000 2.562 9 R HA 0.271 4.611 4.340 -0.000 0.000 0.298 9 R C -0.262 175.780 176.300 -0.430 0.000 0.961 9 R CA -0.519 55.253 56.100 -0.547 0.000 0.881 9 R CB 1.736 31.767 30.300 -0.449 0.000 1.159 9 R HN 0.727 nan 8.270 nan 0.000 0.450 10 Q N 1.386 120.959 119.800 -0.379 0.000 2.135 10 Q HA 0.220 4.560 4.340 -0.000 0.000 0.231 10 Q C -0.424 175.561 176.000 -0.024 0.000 0.817 10 Q CA -0.010 55.710 55.803 -0.139 0.000 1.073 10 Q CB 1.341 29.953 28.738 -0.210 0.000 1.176 10 Q HN 0.416 nan 8.270 nan 0.000 0.478 11 Q N -0.176 119.639 119.800 0.025 0.000 2.451 11 Q HA 0.705 5.045 4.340 -0.000 0.000 0.281 11 Q C -1.133 175.059 176.000 0.320 0.000 1.099 11 Q CA -0.709 55.188 55.803 0.156 0.000 0.806 11 Q CB 2.250 31.102 28.738 0.190 0.000 1.419 11 Q HN 0.206 nan 8.270 nan 0.000 0.427 12 A N 1.004 123.952 122.820 0.212 0.000 2.287 12 A HA 0.592 4.912 4.320 -0.000 0.000 0.273 12 A C -1.045 176.550 177.584 0.019 0.000 1.091 12 A CA -0.334 51.776 52.037 0.123 0.000 0.817 12 A CB 0.433 19.442 19.000 0.015 0.000 1.069 12 A HN 0.516 nan 8.150 nan 0.000 0.492 13 L N 1.630 122.709 121.223 -0.240 0.000 2.318 13 L HA 0.640 4.979 4.340 -0.000 0.000 0.277 13 L C -1.130 175.492 176.870 -0.413 0.000 1.008 13 L CA 0.108 54.593 54.840 -0.593 0.000 0.846 13 L CB 0.529 42.009 42.059 -0.965 0.000 1.220 13 L HN 0.526 nan 8.230 nan 0.000 0.423 14 I N 5.099 125.469 120.570 -0.333 0.000 2.439 14 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 14 I C 0.162 176.141 176.117 -0.230 0.000 1.021 14 I CA -0.787 60.367 61.300 -0.244 0.000 1.091 14 I CB 1.566 39.470 38.000 -0.159 0.000 1.242 14 I HN 0.692 nan 8.210 nan 0.000 0.439 15 N N 4.948 123.516 118.700 -0.220 0.000 2.740 15 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 15 N C 0.816 176.210 175.510 -0.193 0.000 1.062 15 N CA 1.371 54.314 53.050 -0.177 0.000 0.704 15 N CB -0.728 37.685 38.487 -0.124 0.000 0.968 15 N HN 1.143 nan 8.380 nan 0.000 0.547 16 G N -1.733 106.906 108.800 -0.269 0.000 2.184 16 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 16 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 16 G C -0.292 174.424 174.900 -0.307 0.000 0.975 16 G CA 0.658 45.593 45.100 -0.276 0.000 0.642 16 G HN 0.558 nan 8.290 nan 0.000 0.536 17 E N -0.742 119.276 120.200 -0.304 0.000 2.183 17 E HA 0.422 4.772 4.350 -0.000 0.000 0.271 17 E C -0.642 175.774 176.600 -0.306 0.000 0.919 17 E CA -0.884 55.381 56.400 -0.225 0.000 0.781 17 E CB 0.966 30.607 29.700 -0.098 0.000 1.140 17 E HN 0.313 nan 8.360 nan 0.000 0.402 18 W N 3.704 124.978 121.300 -0.042 0.000 2.345 18 W HA 0.309 4.969 4.660 -0.000 0.000 0.308 18 W C -0.067 176.429 176.519 -0.039 0.000 1.273 18 W CA -0.253 57.067 57.345 -0.043 0.000 1.243 18 W CB 0.416 29.852 29.460 -0.040 0.000 1.260 18 W HN 0.177 nan 8.180 nan 0.000 0.509 19 L N 3.560 124.882 121.223 0.166 0.000 2.371 19 L HA 0.453 4.792 4.340 -0.000 0.000 0.262 19 L C -0.129 176.786 176.870 0.074 0.000 1.006 19 L CA -1.272 53.617 54.840 0.081 0.000 0.818 19 L CB 1.760 43.828 42.059 0.015 0.000 1.354 19 L HN 0.231 nan 8.230 nan 0.000 0.415 20 D N 0.699 121.127 120.400 0.048 0.000 2.387 20 D HA 0.426 5.066 4.640 -0.000 0.000 0.251 20 D C 0.082 176.392 176.300 0.018 0.000 1.141 20 D CA -0.235 53.785 54.000 0.032 0.000 0.987 20 D CB 1.547 42.361 40.800 0.024 0.000 1.116 20 D HN 0.597 nan 8.370 nan 0.000 0.491 21 A N 1.070 123.898 122.820 0.012 0.000 2.483 21 A HA -0.031 4.288 4.320 -0.000 0.000 0.238 21 A C 1.240 178.825 177.584 0.003 0.000 1.070 21 A CA -0.234 51.805 52.037 0.004 0.000 0.770 21 A CB 0.065 19.067 19.000 0.003 0.000 1.008 21 A HN 0.478 nan 8.150 nan 0.000 0.497 22 N N 1.599 120.298 118.700 -0.002 0.000 2.091 22 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 22 N C 1.119 176.629 175.510 0.000 0.000 1.021 22 N CA 2.054 55.103 53.050 -0.002 0.000 0.862 22 N CB -0.362 38.122 38.487 -0.005 0.000 1.018 22 N HN 0.877 nan 8.380 nan 0.000 0.429 23 N N -0.610 118.090 118.700 0.001 0.000 2.336 23 N HA 0.098 4.837 4.740 -0.000 0.000 0.189 23 N C 0.995 176.507 175.510 0.004 0.000 1.113 23 N CA 0.744 53.795 53.050 0.002 0.000 0.858 23 N CB -0.246 38.242 38.487 0.001 0.000 0.970 23 N HN 0.212 nan 8.380 nan 0.000 0.471 24 G N -0.295 108.508 108.800 0.005 0.000 2.180 24 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.263 24 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.263 24 G C -0.274 174.631 174.900 0.009 0.000 0.989 24 G CA 0.411 45.516 45.100 0.008 0.000 0.692 24 G HN 0.543 nan 8.290 nan 0.000 0.526 25 E N 0.293 120.498 120.200 0.007 0.000 2.373 25 E HA 0.559 4.908 4.350 -0.000 0.000 0.267 25 E C 0.472 177.078 176.600 0.009 0.000 1.032 25 E CA 0.422 56.827 56.400 0.008 0.000 0.889 25 E CB 1.031 30.734 29.700 0.005 0.000 0.984 25 E HN 0.672 nan 8.360 nan 0.000 0.425 26 A N 3.353 126.180 122.820 0.011 0.000 2.469 26 A HA 0.600 4.920 4.320 -0.000 0.000 0.299 26 A C -0.844 176.746 177.584 0.009 0.000 1.098 26 A CA -0.699 51.345 52.037 0.013 0.000 0.737 26 A CB 0.975 19.988 19.000 0.023 0.000 1.312 26 A HN 0.558 nan 8.150 nan 0.000 0.414 27 I N 1.875 122.446 120.570 0.002 0.000 2.321 27 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 27 I C -0.772 175.345 176.117 0.000 0.000 0.998 27 I CA -0.609 60.688 61.300 -0.006 0.000 1.227 27 I CB 1.403 39.387 38.000 -0.026 0.000 1.368 27 I HN 0.515 nan 8.210 nan 0.000 0.466 28 D N 5.821 126.230 120.400 0.014 0.000 2.382 28 D HA 0.227 4.866 4.640 -0.000 0.000 0.245 28 D C -0.375 175.937 176.300 0.020 0.000 1.120 28 D CA 0.153 54.175 54.000 0.037 0.000 0.890 28 D CB 1.676 42.499 40.800 0.039 0.000 1.201 28 D HN 0.037 nan 8.370 nan 0.000 0.433 29 V N 2.155 122.108 119.914 0.065 0.000 2.448 29 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 29 V C 0.450 176.617 176.094 0.120 0.000 1.025 29 V CA -0.708 61.620 62.300 0.047 0.000 0.859 29 V CB 1.702 33.493 31.823 -0.053 0.000 0.988 29 V HN 0.710 nan 8.190 nan 0.000 0.431 30 T N 0.564 115.155 114.554 0.061 0.000 2.940 30 T HA 0.452 4.801 4.350 -0.000 0.000 0.288 30 T C -0.262 174.464 174.700 0.044 0.000 1.033 30 T CA -0.826 61.307 62.100 0.054 0.000 1.033 30 T CB 1.726 70.604 68.868 0.018 0.000 1.079 30 T HN 0.466 nan 8.240 nan 0.000 0.496 31 N N 2.533 121.256 118.700 0.038 0.000 2.411 31 N HA 0.233 4.973 4.740 -0.000 0.000 0.259 31 N C -1.518 173.982 175.510 -0.017 0.000 1.103 31 N CA -2.349 50.713 53.050 0.020 0.000 0.954 31 N CB 1.250 39.751 38.487 0.025 0.000 1.085 31 N HN 0.370 nan 8.380 nan 0.000 0.485 32 P HA -0.051 nan 4.420 nan 0.000 0.226 32 P C 0.615 177.811 177.300 -0.172 0.000 1.153 32 P CA 0.641 63.664 63.100 -0.127 0.000 0.777 32 P CB 0.239 31.837 31.700 -0.171 0.000 0.794 33 A N 0.840 123.604 122.820 -0.092 0.000 2.016 33 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 33 A C 1.556 179.231 177.584 0.151 0.000 1.162 33 A CA 1.611 53.650 52.037 0.005 0.000 0.662 33 A CB -0.763 18.311 19.000 0.124 0.000 0.812 33 A HN 0.397 nan 8.150 nan 0.000 0.450 34 N N -4.873 113.871 118.700 0.073 0.000 1.952 34 N HA 0.237 4.977 4.740 -0.000 0.000 0.228 34 N C 0.806 176.343 175.510 0.045 0.000 1.398 34 N CA 1.061 54.160 53.050 0.082 0.000 0.817 34 N CB -0.170 38.361 38.487 0.073 0.000 1.101 34 N HN 0.719 nan 8.380 nan 0.000 0.498 35 G N -0.094 108.719 108.800 0.022 0.000 2.176 35 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.253 35 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.253 35 G C -0.803 174.109 174.900 0.020 0.000 0.979 35 G CA 0.220 45.329 45.100 0.014 0.000 0.641 35 G HN 0.416 nan 8.290 nan 0.000 0.530 36 D N 0.763 121.178 120.400 0.024 0.000 2.455 36 D HA 0.278 4.918 4.640 -0.000 0.000 0.241 36 D C 0.789 177.111 176.300 0.038 0.000 1.138 36 D CA 0.323 54.338 54.000 0.026 0.000 0.877 36 D CB 0.767 41.579 40.800 0.019 0.000 1.187 36 D HN 0.424 nan 8.370 nan 0.000 0.451 37 K N 2.494 122.920 120.400 0.043 0.000 2.379 37 K HA 0.076 4.396 4.320 -0.000 0.000 0.284 37 K C 0.837 177.488 176.600 0.084 0.000 1.044 37 K CA -0.210 56.119 56.287 0.070 0.000 0.974 37 K CB 0.370 32.909 32.500 0.066 0.000 0.962 37 K HN 0.392 nan 8.250 nan 0.000 0.474 38 L N 2.979 124.288 121.223 0.143 0.000 2.249 38 L HA 0.206 4.546 4.340 -0.000 0.000 0.207 38 L C 1.199 178.213 176.870 0.240 0.000 1.090 38 L CA 0.612 55.539 54.840 0.145 0.000 0.802 38 L CB 0.113 42.310 42.059 0.230 0.000 0.947 38 L HN 1.010 nan 8.230 nan 0.000 0.453 39 G N -0.897 108.115 108.800 0.355 0.000 2.368 39 G HA2 0.280 4.240 3.960 -0.000 0.000 0.269 39 G HA3 0.280 4.240 3.960 -0.000 0.000 0.269 39 G C -1.468 173.671 174.900 0.400 0.000 1.291 39 G CA 0.044 45.392 45.100 0.413 0.000 0.903 39 G HN 0.147 nan 8.290 nan 0.000 0.483 40 S N -1.875 114.048 115.700 0.371 0.000 2.625 40 S HA 0.901 5.371 4.470 -0.000 0.000 0.271 40 S C -0.765 173.919 174.600 0.141 0.000 1.161 40 S CA 0.100 58.413 58.200 0.188 0.000 0.820 40 S CB 1.438 64.699 63.200 0.102 0.000 1.137 40 S HN 2.334 nan 8.310 nan 0.000 0.470 41 V N -2.754 117.175 119.914 0.025 0.000 3.040 41 V HA 0.827 4.947 4.120 -0.000 0.000 0.312 41 V C -3.286 172.812 176.094 0.007 0.000 1.115 41 V CA -2.909 59.395 62.300 0.007 0.000 0.998 41 V CB 1.088 32.869 31.823 -0.069 0.000 1.042 41 V HN 0.745 nan 8.190 nan 0.000 0.433 42 P HA 0.159 nan 4.420 nan 0.000 0.266 42 P C -0.858 176.444 177.300 0.002 0.000 1.195 42 P CA 0.075 63.183 63.100 0.013 0.000 0.768 42 P CB 0.313 32.026 31.700 0.020 0.000 0.838 43 K N 4.415 124.816 120.400 0.002 0.000 2.265 43 K HA 0.244 4.563 4.320 -0.000 0.000 0.242 43 K C -0.080 176.519 176.600 -0.002 0.000 1.137 43 K CA -0.135 56.151 56.287 -0.001 0.000 1.082 43 K CB -0.434 32.066 32.500 0.000 0.000 1.731 43 K HN 0.456 nan 8.250 nan 0.000 0.392 44 M N 0.614 120.212 119.600 -0.004 0.000 2.197 44 M HA 0.310 4.789 4.480 -0.000 0.000 0.305 44 M C 0.857 177.153 176.300 -0.008 0.000 1.162 44 M CA -0.214 55.081 55.300 -0.008 0.000 1.099 44 M CB 1.370 33.962 32.600 -0.013 0.000 1.430 44 M HN 0.585 nan 8.290 nan 0.000 0.481 45 G N -0.680 108.114 108.800 -0.010 0.000 3.183 45 G HA2 0.602 4.561 3.960 -0.000 0.000 0.247 45 G HA3 0.602 4.561 3.960 -0.000 0.000 0.247 45 G C 0.321 175.213 174.900 -0.013 0.000 1.211 45 G CA 0.028 45.122 45.100 -0.009 0.000 0.835 45 G HN 0.745 nan 8.290 nan 0.000 0.604 46 A N -0.199 122.614 122.820 -0.012 0.000 1.883 46 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 46 A C 1.925 179.500 177.584 -0.016 0.000 1.186 46 A CA 2.532 54.561 52.037 -0.013 0.000 0.624 46 A CB -0.724 18.269 19.000 -0.012 0.000 0.822 46 A HN 0.478 nan 8.150 nan 0.000 0.444 47 D N -0.189 120.202 120.400 -0.015 0.000 2.106 47 D HA -0.154 4.486 4.640 -0.000 0.000 0.191 47 D C 1.942 178.229 176.300 -0.022 0.000 0.997 47 D CA 1.859 55.849 54.000 -0.016 0.000 0.834 47 D CB -0.440 40.352 40.800 -0.014 0.000 0.956 47 D HN 0.596 nan 8.370 nan 0.000 0.448 48 E N -0.176 120.010 120.200 -0.023 0.000 2.106 48 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 48 E C 2.148 178.724 176.600 -0.040 0.000 0.984 48 E CA 1.113 57.494 56.400 -0.032 0.000 0.806 48 E CB -0.325 29.358 29.700 -0.030 0.000 0.750 48 E HN 0.178 nan 8.360 nan 0.000 0.458 49 T N 0.585 115.119 114.554 -0.034 0.000 2.746 49 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 49 T C 1.827 176.506 174.700 -0.035 0.000 1.039 49 T CA 1.386 63.465 62.100 -0.036 0.000 1.142 49 T CB -0.151 68.702 68.868 -0.025 0.000 0.866 49 T HN 0.106 nan 8.240 nan 0.000 0.444 50 R N 0.873 121.357 120.500 -0.028 0.000 2.081 50 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 50 R C 2.647 178.928 176.300 -0.031 0.000 1.131 50 R CA 1.393 57.478 56.100 -0.025 0.000 0.960 50 R CB -0.454 29.834 30.300 -0.020 0.000 0.856 50 R HN 0.384 nan 8.270 nan 0.000 0.436 51 A N 0.568 123.367 122.820 -0.035 0.000 1.933 51 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 51 A C 2.298 179.849 177.584 -0.055 0.000 1.175 51 A CA 1.664 53.676 52.037 -0.042 0.000 0.628 51 A CB -0.642 18.332 19.000 -0.042 0.000 0.814 51 A HN 0.538 nan 8.150 nan 0.000 0.444 52 A N -0.053 122.729 122.820 -0.064 0.000 1.898 52 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 52 A C 2.101 179.643 177.584 -0.070 0.000 1.181 52 A CA 1.452 53.438 52.037 -0.085 0.000 0.620 52 A CB -0.573 18.368 19.000 -0.098 0.000 0.819 52 A HN 0.485 nan 8.150 nan 0.000 0.442 53 I N -0.296 120.244 120.570 -0.050 0.000 2.226 53 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 53 I C 2.278 178.377 176.117 -0.030 0.000 1.100 53 I CA 1.895 63.174 61.300 -0.034 0.000 1.374 53 I CB -0.385 37.602 38.000 -0.022 0.000 1.057 53 I HN 0.372 nan 8.210 nan 0.000 0.413 54 D N 0.840 121.221 120.400 -0.031 0.000 2.117 54 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 54 D C 2.172 178.453 176.300 -0.032 0.000 0.987 54 D CA 1.509 55.493 54.000 -0.026 0.000 0.829 54 D CB 0.064 40.849 40.800 -0.025 0.000 0.961 54 D HN 0.309 nan 8.370 nan 0.000 0.460 55 A N 0.372 123.164 122.820 -0.047 0.000 1.902 55 A HA 0.029 4.348 4.320 -0.000 0.000 0.217 55 A C 2.358 179.906 177.584 -0.059 0.000 1.181 55 A CA 2.121 54.122 52.037 -0.059 0.000 0.623 55 A CB -1.038 17.911 19.000 -0.085 0.000 0.818 55 A HN 0.319 nan 8.150 nan 0.000 0.443 56 A N 0.147 122.932 122.820 -0.060 0.000 1.902 56 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 56 A C 1.976 179.550 177.584 -0.017 0.000 1.181 56 A CA 2.077 54.084 52.037 -0.051 0.000 0.623 56 A CB -0.711 18.262 19.000 -0.045 0.000 0.818 56 A HN 0.593 nan 8.150 nan 0.000 0.443 57 N N -0.513 118.181 118.700 -0.009 0.000 2.120 57 N HA -0.173 4.566 4.740 -0.000 0.000 0.188 57 N C 1.829 177.345 175.510 0.011 0.000 1.024 57 N CA 1.691 54.745 53.050 0.007 0.000 0.852 57 N CB -0.261 38.227 38.487 0.003 0.000 1.003 57 N HN 0.389 nan 8.380 nan 0.000 0.424 58 R N -0.169 120.330 120.500 -0.001 0.000 2.092 58 R HA 0.166 4.505 4.340 -0.000 0.000 0.231 58 R C 1.777 178.084 176.300 0.012 0.000 1.119 58 R CA 1.350 57.451 56.100 0.001 0.000 0.970 58 R CB -0.486 29.807 30.300 -0.011 0.000 0.864 58 R HN 0.278 nan 8.270 nan 0.000 0.440 59 A N -0.053 122.770 122.820 0.005 0.000 2.169 59 A HA 0.010 4.330 4.320 -0.000 0.000 0.212 59 A C 1.793 179.426 177.584 0.082 0.000 1.153 59 A CA 0.474 52.524 52.037 0.022 0.000 0.756 59 A CB -0.374 18.607 19.000 -0.031 0.000 0.813 59 A HN 0.332 nan 8.150 nan 0.000 0.471 60 L N 0.782 122.053 121.223 0.080 0.000 1.994 60 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 60 L C -0.837 176.119 176.870 0.143 0.000 1.071 60 L CA 2.381 57.300 54.840 0.132 0.000 0.745 60 L CB -1.268 40.847 42.059 0.094 0.000 0.892 60 L HN 0.130 nan 8.230 nan 0.000 0.431 61 P HA -0.161 nan 4.420 nan 0.000 0.216 61 P C 1.453 178.799 177.300 0.077 0.000 1.153 61 P CA 2.167 65.309 63.100 0.070 0.000 0.858 61 P CB -0.224 31.504 31.700 0.046 0.000 0.789 62 A N -1.628 121.251 122.820 0.099 0.000 2.016 62 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 62 A C 2.168 179.841 177.584 0.149 0.000 1.162 62 A CA 0.700 52.796 52.037 0.098 0.000 0.662 62 A CB -1.707 17.348 19.000 0.092 0.000 0.812 62 A HN 0.298 nan 8.150 nan 0.000 0.450 63 W N 0.783 122.081 121.300 -0.003 0.000 2.407 63 W HA -0.122 4.538 4.660 -0.000 0.000 0.305 63 W C 2.265 178.783 176.519 -0.000 0.000 1.196 63 W CA 1.384 58.727 57.345 -0.003 0.000 1.311 63 W CB -0.254 29.206 29.460 -0.000 0.000 1.135 63 W HN 0.367 nan 8.180 nan 0.000 0.514 64 R N 0.924 121.451 120.500 0.045 0.000 2.117 64 R HA -0.188 4.152 4.340 -0.000 0.000 0.243 64 R C 2.213 178.448 176.300 -0.108 0.000 1.143 64 R CA 2.123 58.190 56.100 -0.056 0.000 0.968 64 R CB -0.622 29.704 30.300 0.043 0.000 0.863 64 R HN 0.121 nan 8.270 nan 0.000 0.444 65 A N 0.674 123.455 122.820 -0.064 0.000 2.167 65 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 65 A C 0.901 178.425 177.584 -0.101 0.000 1.151 65 A CA 0.073 52.072 52.037 -0.063 0.000 0.735 65 A CB -0.156 18.830 19.000 -0.022 0.000 0.802 65 A HN 0.219 nan 8.150 nan 0.000 0.467 66 L N 1.018 122.140 121.223 -0.168 0.000 2.482 66 L HA 0.123 4.463 4.340 -0.000 0.000 0.273 66 L C 1.345 178.096 176.870 -0.198 0.000 1.228 66 L CA -0.062 54.660 54.840 -0.197 0.000 0.827 66 L CB 0.238 42.109 42.059 -0.314 0.000 1.099 66 L HN 0.423 nan 8.230 nan 0.000 0.494 67 T N -1.166 113.296 114.554 -0.154 0.000 2.860 67 T HA 0.248 4.598 4.350 -0.000 0.000 0.299 67 T C 1.151 175.742 174.700 -0.180 0.000 1.045 67 T CA -0.232 61.785 62.100 -0.138 0.000 1.071 67 T CB 1.306 70.118 68.868 -0.094 0.000 0.985 67 T HN 0.664 nan 8.240 nan 0.000 0.537 68 A N 1.308 124.034 122.820 -0.156 0.000 1.940 68 A HA -0.115 4.204 4.320 -0.000 0.000 0.219 68 A C 2.361 179.863 177.584 -0.137 0.000 1.176 68 A CA 2.059 53.999 52.037 -0.161 0.000 0.631 68 A CB -0.926 17.991 19.000 -0.138 0.000 0.814 68 A HN 0.994 nan 8.150 nan 0.000 0.446 69 K N 0.231 120.567 120.400 -0.107 0.000 2.057 69 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 69 K C 2.031 178.588 176.600 -0.071 0.000 1.050 69 K CA 1.598 57.838 56.287 -0.078 0.000 0.935 69 K CB -0.204 32.261 32.500 -0.058 0.000 0.715 69 K HN 0.768 nan 8.250 nan 0.000 0.439 70 E N 0.217 120.363 120.200 -0.090 0.000 2.150 70 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 70 E C 2.012 178.553 176.600 -0.098 0.000 0.985 70 E CA 0.646 57.000 56.400 -0.077 0.000 0.814 70 E CB -0.188 29.469 29.700 -0.071 0.000 0.752 70 E HN 0.258 nan 8.360 nan 0.000 0.466 71 R N 0.849 121.221 120.500 -0.213 0.000 2.081 71 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 71 R C 2.561 178.853 176.300 -0.014 0.000 1.131 71 R CA 1.338 57.291 56.100 -0.244 0.000 0.960 71 R CB -0.432 29.579 30.300 -0.482 0.000 0.856 71 R HN 0.263 nan 8.270 nan 0.000 0.436 72 A N 0.457 123.254 122.820 -0.038 0.000 1.908 72 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 72 A C 2.173 179.786 177.584 0.047 0.000 1.181 72 A CA 2.057 54.096 52.037 0.002 0.000 0.627 72 A CB -0.859 18.115 19.000 -0.043 0.000 0.818 72 A HN 0.291 nan 8.150 nan 0.000 0.445 73 T N 0.328 114.905 114.554 0.038 0.000 2.652 73 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 73 T C 1.808 176.578 174.700 0.116 0.000 1.039 73 T CA 1.678 63.817 62.100 0.065 0.000 1.153 73 T CB -0.429 68.464 68.868 0.042 0.000 0.863 73 T HN 0.436 nan 8.240 nan 0.000 0.428 74 I N 0.605 121.259 120.570 0.139 0.000 2.179 74 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 74 I C 2.263 178.532 176.117 0.252 0.000 1.088 74 I CA 1.216 62.632 61.300 0.192 0.000 1.357 74 I CB -0.392 37.764 38.000 0.261 0.000 1.051 74 I HN 0.183 nan 8.210 nan 0.000 0.409 75 L N 0.090 121.485 121.223 0.286 0.000 2.046 75 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 75 L C 2.734 179.805 176.870 0.334 0.000 1.077 75 L CA 1.280 56.338 54.840 0.362 0.000 0.747 75 L CB -0.598 41.645 42.059 0.307 0.000 0.896 75 L HN 0.195 nan 8.230 nan 0.000 0.432 76 R N 0.334 120.973 120.500 0.232 0.000 2.096 76 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 76 R C 2.140 178.629 176.300 0.314 0.000 1.127 76 R CA 1.516 57.766 56.100 0.249 0.000 0.968 76 R CB -0.082 30.309 30.300 0.151 0.000 0.861 76 R HN 0.362 nan 8.270 nan 0.000 0.440 77 N N -0.040 118.815 118.700 0.257 0.000 2.104 77 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 77 N C 1.153 176.852 175.510 0.316 0.000 1.024 77 N CA 1.224 54.415 53.050 0.235 0.000 0.853 77 N CB -0.533 38.060 38.487 0.177 0.000 1.008 77 N HN 0.347 nan 8.380 nan 0.000 0.424 78 W N 1.493 122.876 121.300 0.138 0.000 2.355 78 W HA -0.103 4.556 4.660 -0.001 0.000 0.309 78 W C 2.155 178.766 176.519 0.154 0.000 1.206 78 W CA 0.494 57.914 57.345 0.124 0.000 1.284 78 W CB -1.237 28.278 29.460 0.092 0.000 1.145 78 W HN 0.044 nan 8.180 nan 0.000 0.502 79 F N 2.348 122.399 119.950 0.168 0.000 2.065 79 F HA -0.328 4.199 4.527 -0.000 0.000 0.298 79 F C 2.086 177.925 175.800 0.065 0.000 1.112 79 F CA 2.615 60.632 58.000 0.028 0.000 1.212 79 F CB -1.045 37.971 39.000 0.026 0.000 0.975 79 F HN -0.207 nan 8.300 nan 0.000 0.476 80 N N 0.949 119.629 118.700 -0.034 0.000 2.104 80 N HA -0.191 4.548 4.740 -0.000 0.000 0.190 80 N C 2.067 177.517 175.510 -0.101 0.000 1.024 80 N CA 1.802 54.758 53.050 -0.155 0.000 0.853 80 N CB -0.734 37.784 38.487 0.052 0.000 1.008 80 N HN 0.387 nan 8.380 nan 0.000 0.424 81 L N 0.440 121.704 121.223 0.069 0.000 2.046 81 L HA -0.075 4.264 4.340 -0.000 0.000 0.208 81 L C 2.374 179.352 176.870 0.180 0.000 1.077 81 L CA 0.881 55.830 54.840 0.181 0.000 0.747 81 L CB -0.279 41.963 42.059 0.306 0.000 0.896 81 L HN 0.157 nan 8.230 nan 0.000 0.432 82 M N -1.485 118.162 119.600 0.078 0.000 2.108 82 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 82 M C 2.292 178.555 176.300 -0.061 0.000 1.066 82 M CA 1.633 56.943 55.300 0.017 0.000 1.107 82 M CB -0.254 32.299 32.600 -0.079 0.000 1.356 82 M HN 0.244 nan 8.290 nan 0.000 0.406 83 M N -0.472 118.993 119.600 -0.225 0.000 2.200 83 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 83 M C 1.958 178.167 176.300 -0.151 0.000 1.066 83 M CA 1.501 56.663 55.300 -0.230 0.000 1.127 83 M CB -1.334 31.024 32.600 -0.404 0.000 1.379 83 M HN 0.335 nan 8.290 nan 0.000 0.420 84 E N -0.064 120.032 120.200 -0.172 0.000 2.085 84 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 84 E C 0.965 177.376 176.600 -0.315 0.000 0.994 84 E CA 1.086 57.334 56.400 -0.255 0.000 0.801 84 E CB 0.074 29.574 29.700 -0.334 0.000 0.743 84 E HN 0.557 nan 8.360 nan 0.000 0.453 85 H N 0.030 119.098 119.070 -0.003 0.000 2.537 85 H HA 0.063 4.619 4.556 -0.001 0.000 0.295 85 H C 1.466 176.804 175.328 0.016 0.000 1.054 85 H CA 0.076 56.135 56.048 0.017 0.000 1.156 85 H CB 0.406 30.194 29.762 0.043 0.000 1.468 85 H HN 0.379 nan 8.280 nan 0.000 0.551 86 Q N 1.084 120.919 119.800 0.058 0.000 2.077 86 Q HA -0.181 4.158 4.340 -0.000 0.000 0.206 86 Q C 0.912 176.946 176.000 0.057 0.000 0.989 86 Q CA 1.879 57.709 55.803 0.046 0.000 0.853 86 Q CB 0.314 29.057 28.738 0.007 0.000 0.907 86 Q HN 0.340 nan 8.270 nan 0.000 0.418 87 D N 0.419 120.845 120.400 0.045 0.000 2.097 87 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 87 D C 1.546 177.876 176.300 0.051 0.000 0.989 87 D CA 1.285 55.309 54.000 0.040 0.000 0.827 87 D CB -0.375 40.440 40.800 0.025 0.000 0.966 87 D HN 0.316 nan 8.370 nan 0.000 0.456 88 D N 0.191 120.634 120.400 0.072 0.000 2.117 88 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 88 D C 2.359 178.701 176.300 0.070 0.000 0.987 88 D CA 0.388 54.428 54.000 0.067 0.000 0.829 88 D CB -0.279 40.575 40.800 0.090 0.000 0.961 88 D HN 0.215 nan 8.370 nan 0.000 0.460 89 L N 0.459 121.740 121.223 0.095 0.000 2.093 89 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 89 L C 2.500 179.425 176.870 0.093 0.000 1.085 89 L CA 1.031 55.933 54.840 0.104 0.000 0.755 89 L CB -0.382 41.747 42.059 0.117 0.000 0.904 89 L HN -0.021 nan 8.230 nan 0.000 0.435 90 A N 0.162 123.028 122.820 0.076 0.000 1.873 90 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 90 A C 2.426 180.043 177.584 0.055 0.000 1.186 90 A CA 1.711 53.788 52.037 0.067 0.000 0.616 90 A CB -0.552 18.481 19.000 0.056 0.000 0.823 90 A HN 0.337 nan 8.150 nan 0.000 0.442 91 R N -0.889 119.635 120.500 0.041 0.000 2.083 91 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 91 R C 2.032 178.345 176.300 0.022 0.000 1.137 91 R CA 1.770 57.882 56.100 0.021 0.000 0.951 91 R CB -0.482 29.819 30.300 0.001 0.000 0.851 91 R HN 0.388 nan 8.270 nan 0.000 0.434 92 L N 1.009 122.253 121.223 0.035 0.000 2.042 92 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 92 L C 2.460 179.398 176.870 0.113 0.000 1.076 92 L CA 2.016 56.891 54.840 0.059 0.000 0.749 92 L CB -0.428 41.692 42.059 0.101 0.000 0.893 92 L HN 0.366 nan 8.230 nan 0.000 0.432 93 M N -1.989 117.677 119.600 0.110 0.000 2.099 93 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 93 M C 2.058 178.406 176.300 0.081 0.000 1.067 93 M CA 2.160 57.527 55.300 0.113 0.000 1.124 93 M CB -0.241 32.421 32.600 0.104 0.000 1.353 93 M HN 0.223 nan 8.290 nan 0.000 0.410 94 T N 1.632 116.221 114.554 0.057 0.000 2.720 94 T HA -0.150 4.199 4.350 -0.000 0.000 0.268 94 T C 1.717 176.440 174.700 0.038 0.000 1.037 94 T CA 1.667 63.791 62.100 0.039 0.000 1.144 94 T CB -0.408 68.478 68.868 0.031 0.000 0.864 94 T HN 0.382 nan 8.240 nan 0.000 0.444 95 L N 0.806 122.053 121.223 0.040 0.000 2.017 95 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 95 L C 2.823 179.734 176.870 0.068 0.000 1.073 95 L CA 1.824 56.685 54.840 0.036 0.000 0.745 95 L CB -0.518 41.542 42.059 0.002 0.000 0.894 95 L HN 0.520 nan 8.230 nan 0.000 0.432 96 E N -0.170 120.102 120.200 0.119 0.000 2.190 96 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 96 E C 1.992 178.638 176.600 0.076 0.000 0.978 96 E CA 0.885 57.372 56.400 0.145 0.000 0.839 96 E CB -0.073 29.783 29.700 0.261 0.000 0.787 96 E HN 0.535 nan 8.360 nan 0.000 0.473 97 Q N 0.174 120.015 119.800 0.069 0.000 2.402 97 Q HA 0.256 4.596 4.340 -0.000 0.000 0.231 97 Q C 1.509 177.511 176.000 0.003 0.000 0.888 97 Q CA 1.286 57.120 55.803 0.053 0.000 0.938 97 Q CB 0.940 29.742 28.738 0.108 0.000 1.086 97 Q HN 0.303 nan 8.270 nan 0.000 0.543 98 G N 0.835 109.633 108.800 -0.002 0.000 2.278 98 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.210 98 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.210 98 G C -0.159 174.731 174.900 -0.016 0.000 1.000 98 G CA -0.108 44.973 45.100 -0.033 0.000 0.635 98 G HN 0.611 nan 8.290 nan 0.000 0.495 99 K N 1.443 121.834 120.400 -0.014 0.000 2.380 99 K HA 0.445 4.765 4.320 -0.000 0.000 0.267 99 K C -2.556 174.050 176.600 0.010 0.000 0.990 99 K CA -0.984 55.295 56.287 -0.015 0.000 0.946 99 K CB 0.340 32.810 32.500 -0.050 0.000 0.937 99 K HN 0.109 nan 8.250 nan 0.000 0.491 100 P HA -0.113 nan 4.420 nan 0.000 0.266 100 P C 0.553 177.869 177.300 0.026 0.000 1.193 100 P CA -0.254 62.862 63.100 0.027 0.000 0.770 100 P CB 0.368 32.084 31.700 0.027 0.000 0.836 101 L N 4.186 125.426 121.223 0.028 0.000 2.043 101 L HA -0.259 4.080 4.340 -0.000 0.000 0.212 101 L C 2.166 179.055 176.870 0.032 0.000 1.075 101 L CA 2.491 57.348 54.840 0.029 0.000 0.752 101 L CB -1.424 40.649 42.059 0.025 0.000 0.891 101 L HN 0.453 nan 8.230 nan 0.000 0.432 102 A N -1.321 121.516 122.820 0.029 0.000 1.933 102 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 102 A C 2.213 179.819 177.584 0.037 0.000 1.175 102 A CA 1.717 53.772 52.037 0.030 0.000 0.628 102 A CB -0.550 18.465 19.000 0.024 0.000 0.814 102 A HN 0.582 nan 8.150 nan 0.000 0.444 103 E N -0.403 119.818 120.200 0.035 0.000 2.072 103 E HA -0.112 4.237 4.350 -0.000 0.000 0.191 103 E C 2.338 178.974 176.600 0.060 0.000 0.985 103 E CA 0.873 57.298 56.400 0.042 0.000 0.801 103 E CB -0.236 29.478 29.700 0.023 0.000 0.750 103 E HN 0.621 nan 8.360 nan 0.000 0.452 104 A N 1.589 124.440 122.820 0.051 0.000 1.898 104 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 104 A C 1.958 179.592 177.584 0.083 0.000 1.181 104 A CA 1.411 53.488 52.037 0.067 0.000 0.620 104 A CB -0.261 18.773 19.000 0.055 0.000 0.819 104 A HN 0.043 nan 8.150 nan 0.000 0.442 105 K N -0.720 119.720 120.400 0.066 0.000 2.057 105 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 105 K C 2.129 178.776 176.600 0.079 0.000 1.049 105 K CA 1.120 57.445 56.287 0.064 0.000 0.931 105 K CB -0.480 32.047 32.500 0.046 0.000 0.714 105 K HN 0.473 nan 8.250 nan 0.000 0.440 106 G N 1.266 110.115 108.800 0.080 0.000 2.446 106 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 106 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 106 G C 1.358 176.351 174.900 0.155 0.000 1.168 106 G CA 0.927 46.082 45.100 0.093 0.000 0.771 106 G HN 0.403 nan 8.290 nan 0.000 0.551 107 E N -0.081 120.231 120.200 0.185 0.000 2.110 107 E HA -0.117 4.232 4.350 -0.000 0.000 0.193 107 E C 2.490 179.245 176.600 0.258 0.000 0.988 107 E CA 0.579 57.156 56.400 0.294 0.000 0.804 107 E CB -0.069 29.822 29.700 0.319 0.000 0.745 107 E HN 0.315 nan 8.360 nan 0.000 0.458 108 I N 0.896 121.567 120.570 0.169 0.000 2.163 108 I HA -0.239 3.930 4.170 -0.000 0.000 0.243 108 I C 2.594 178.782 176.117 0.117 0.000 1.085 108 I CA 1.123 62.497 61.300 0.123 0.000 1.347 108 I CB -1.512 36.540 38.000 0.087 0.000 1.044 108 I HN 0.143 nan 8.210 nan 0.000 0.408 109 S N -0.183 115.594 115.700 0.128 0.000 2.368 109 S HA -0.239 4.230 4.470 -0.000 0.000 0.225 109 S C 2.198 176.906 174.600 0.180 0.000 1.030 109 S CA 1.233 59.508 58.200 0.125 0.000 0.999 109 S CB -0.452 62.813 63.200 0.108 0.000 0.844 109 S HN 0.467 nan 8.310 nan 0.000 0.459 110 Y N 2.150 122.491 120.300 0.067 0.000 2.163 110 Y HA 0.027 4.577 4.550 -0.000 0.000 0.288 110 Y C 2.363 178.364 175.900 0.167 0.000 1.136 110 Y CA 1.233 59.366 58.100 0.056 0.000 1.147 110 Y CB -1.130 37.365 38.460 0.059 0.000 0.987 110 Y HN 0.264 nan 8.280 nan 0.000 0.509 111 A N 1.016 123.894 122.820 0.096 0.000 1.892 111 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 111 A C 2.481 180.112 177.584 0.079 0.000 1.188 111 A CA 2.476 54.543 52.037 0.050 0.000 0.631 111 A CB -1.673 17.358 19.000 0.053 0.000 0.822 111 A HN 0.677 nan 8.150 nan 0.000 0.447 112 A N 0.241 123.111 122.820 0.084 0.000 1.940 112 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 112 A C 2.491 180.246 177.584 0.285 0.000 1.176 112 A CA 2.487 54.626 52.037 0.170 0.000 0.631 112 A CB -1.050 18.028 19.000 0.130 0.000 0.814 112 A HN 1.150 nan 8.150 nan 0.000 0.446 113 S N -0.984 114.785 115.700 0.114 0.000 2.419 113 S HA -0.140 4.329 4.470 -0.000 0.000 0.233 113 S C 1.665 176.107 174.600 -0.264 0.000 1.016 113 S CA 1.378 59.514 58.200 -0.108 0.000 0.974 113 S CB -0.809 62.261 63.200 -0.217 0.000 0.786 113 S HN 0.397 nan 8.310 nan 0.000 0.492 114 F N 1.887 121.769 119.950 -0.114 0.000 2.146 114 F HA 0.073 4.599 4.527 -0.000 0.000 0.298 114 F C 2.346 178.212 175.800 0.110 0.000 1.096 114 F CA 0.623 58.615 58.000 -0.012 0.000 1.275 114 F CB -0.425 38.550 39.000 -0.042 0.000 1.008 114 F HN 0.181 nan 8.300 nan 0.000 0.480 115 I N 0.276 120.935 120.570 0.149 0.000 2.179 115 I HA -0.268 3.901 4.170 -0.000 0.000 0.242 115 I C 2.416 178.541 176.117 0.015 0.000 1.088 115 I CA 1.563 62.903 61.300 0.067 0.000 1.357 115 I CB -1.407 36.534 38.000 -0.098 0.000 1.051 115 I HN 0.284 nan 8.210 nan 0.000 0.409 116 E N 0.604 120.673 120.200 -0.218 0.000 2.051 116 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 116 E C 2.351 178.791 176.600 -0.265 0.000 0.991 116 E CA 1.435 57.540 56.400 -0.493 0.000 0.799 116 E CB -0.383 28.568 29.700 -1.249 0.000 0.748 116 E HN 0.562 nan 8.360 nan 0.000 0.449 117 W N 0.590 121.651 121.300 -0.398 0.000 2.318 117 W HA -0.258 4.402 4.660 -0.000 0.000 0.313 117 W C 1.539 177.818 176.519 -0.401 0.000 1.221 117 W CA 1.425 58.496 57.345 -0.456 0.000 1.266 117 W CB -0.550 28.520 29.460 -0.650 0.000 1.150 117 W HN 0.147 nan 8.180 nan 0.000 0.496 118 F N 0.868 120.797 119.950 -0.036 0.000 2.293 118 F HA -0.039 4.487 4.527 -0.001 0.000 0.297 118 F C 2.799 178.512 175.800 -0.145 0.000 1.089 118 F CA 1.393 59.335 58.000 -0.097 0.000 1.377 118 F CB -1.092 37.946 39.000 0.063 0.000 1.051 118 F HN -0.122 nan 8.300 nan 0.000 0.511 119 A N 0.544 123.390 122.820 0.043 0.000 1.903 119 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 119 A C 2.036 179.542 177.584 -0.129 0.000 1.191 119 A CA 2.292 54.319 52.037 -0.017 0.000 0.638 119 A CB -0.807 18.184 19.000 -0.014 0.000 0.823 119 A HN 0.467 nan 8.150 nan 0.000 0.451 120 E N -1.239 118.808 120.200 -0.254 0.000 2.072 120 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 120 E C 2.079 178.442 176.600 -0.395 0.000 0.982 120 E CA 1.128 57.324 56.400 -0.340 0.000 0.803 120 E CB -0.109 29.320 29.700 -0.452 0.000 0.755 120 E HN 0.659 nan 8.360 nan 0.000 0.453 121 E N 0.549 120.455 120.200 -0.490 0.000 2.150 121 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 121 E C 2.023 178.492 176.600 -0.219 0.000 0.985 121 E CA 1.169 57.321 56.400 -0.413 0.000 0.814 121 E CB -0.484 28.995 29.700 -0.369 0.000 0.752 121 E HN 0.272 nan 8.360 nan 0.000 0.466 122 G N 0.451 109.172 108.800 -0.132 0.000 2.485 122 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.221 122 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.221 122 G C 1.371 176.167 174.900 -0.172 0.000 1.115 122 G CA 1.003 46.035 45.100 -0.113 0.000 0.751 122 G HN 0.255 nan 8.290 nan 0.000 0.567 123 K N -0.415 119.864 120.400 -0.201 0.000 2.487 123 K HA 0.158 4.478 4.320 -0.000 0.000 0.192 123 K C 1.369 177.786 176.600 -0.305 0.000 1.027 123 K CA 0.184 56.349 56.287 -0.203 0.000 1.054 123 K CB 0.265 32.667 32.500 -0.163 0.000 0.824 123 K HN 0.161 nan 8.250 nan 0.000 0.510 124 R N 0.427 120.668 120.500 -0.432 0.000 2.659 124 R HA 0.269 4.608 4.340 -0.000 0.000 0.418 124 R C -0.636 175.098 176.300 -0.942 0.000 1.076 124 R CA -0.182 55.411 56.100 -0.845 0.000 1.093 124 R CB 0.532 30.501 30.300 -0.550 0.000 1.400 124 R HN 0.018 nan 8.270 nan 0.000 0.583 125 I N 2.351 122.592 120.570 -0.548 0.000 2.311 125 I HA 0.064 4.234 4.170 -0.000 0.000 0.297 125 I C -0.508 175.444 176.117 -0.275 0.000 1.131 125 I CA -0.151 60.960 61.300 -0.315 0.000 1.289 125 I CB -0.044 37.870 38.000 -0.143 0.000 1.446 125 I HN 0.023 nan 8.210 nan 0.000 0.524 126 Y N 4.820 125.116 120.300 -0.008 0.000 2.350 126 Y HA 0.476 5.026 4.550 -0.000 0.000 0.340 126 Y C 1.048 176.953 175.900 0.009 0.000 1.006 126 Y CA -0.677 57.420 58.100 -0.005 0.000 1.166 126 Y CB 0.931 39.385 38.460 -0.011 0.000 1.168 126 Y HN 0.539 nan 8.280 nan 0.000 0.502 127 G N 2.097 110.998 108.800 0.169 0.000 2.535 127 G HA2 0.367 4.327 3.960 -0.000 0.000 0.282 127 G HA3 0.367 4.327 3.960 -0.000 0.000 0.282 127 G C -0.725 174.236 174.900 0.103 0.000 1.350 127 G CA -0.635 44.533 45.100 0.113 0.000 1.039 127 G HN 0.559 nan 8.290 nan 0.000 0.509 128 D N -1.132 119.315 120.400 0.078 0.000 2.547 128 D HA 0.473 5.113 4.640 -0.000 0.000 0.231 128 D C -0.399 175.935 176.300 0.057 0.000 1.099 128 D CA -0.220 53.813 54.000 0.056 0.000 0.901 128 D CB 1.993 42.821 40.800 0.047 0.000 1.478 128 D HN 0.529 nan 8.370 nan 0.000 0.471 129 T N -1.736 112.843 114.554 0.042 0.000 2.855 129 T HA 0.754 5.104 4.350 -0.000 0.000 0.281 129 T C -0.130 174.593 174.700 0.039 0.000 1.007 129 T CA -0.686 61.443 62.100 0.047 0.000 1.009 129 T CB 0.878 69.768 68.868 0.037 0.000 0.983 129 T HN 0.284 nan 8.240 nan 0.000 0.455 130 I N 3.017 123.617 120.570 0.051 0.000 2.498 130 I HA 0.392 4.561 4.170 -0.000 0.000 0.290 130 I C -2.444 173.702 176.117 0.049 0.000 1.032 130 I CA -2.867 58.455 61.300 0.037 0.000 1.073 130 I CB 2.362 40.374 38.000 0.020 0.000 1.251 130 I HN 0.438 nan 8.210 nan 0.000 0.426 131 P HA 0.055 nan 4.420 nan 0.000 0.265 131 P C 0.167 177.507 177.300 0.067 0.000 1.193 131 P CA -0.030 63.094 63.100 0.040 0.000 0.765 131 P CB 0.436 32.151 31.700 0.026 0.000 0.823 132 G N 1.804 110.647 108.800 0.071 0.000 2.569 132 G HA2 0.073 4.033 3.960 -0.000 0.000 0.249 132 G HA3 0.073 4.033 3.960 -0.000 0.000 0.249 132 G C 0.964 175.932 174.900 0.112 0.000 1.216 132 G CA -0.327 44.841 45.100 0.113 0.000 0.845 132 G HN 0.697 nan 8.290 nan 0.000 0.568 133 H N -0.462 118.625 119.070 0.029 0.000 2.502 133 H HA 0.068 4.623 4.556 -0.000 0.000 0.283 133 H C 0.466 175.806 175.328 0.020 0.000 1.015 133 H CA 0.717 56.778 56.048 0.021 0.000 1.298 133 H CB 0.332 30.110 29.762 0.025 0.000 1.411 133 H HN 0.509 nan 8.280 nan 0.000 0.556 134 Q N -1.152 118.430 119.800 -0.364 0.000 2.456 134 Q HA 0.629 4.968 4.340 -0.000 0.000 0.283 134 Q C 0.397 176.303 176.000 -0.157 0.000 1.084 134 Q CA -0.266 55.393 55.803 -0.240 0.000 0.801 134 Q CB 2.382 30.938 28.738 -0.303 0.000 1.434 134 Q HN 0.127 nan 8.270 nan 0.000 0.419 135 A N 1.070 123.837 122.820 -0.089 0.000 2.019 135 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 135 A C 0.932 178.482 177.584 -0.056 0.000 1.164 135 A CA 1.996 54.000 52.037 -0.056 0.000 0.644 135 A CB -0.265 18.714 19.000 -0.036 0.000 0.805 135 A HN 0.789 nan 8.150 nan 0.000 0.449 136 D N -1.113 119.243 120.400 -0.073 0.000 2.395 136 D HA 0.121 4.761 4.640 -0.000 0.000 0.226 136 D C -0.068 176.193 176.300 -0.065 0.000 1.146 136 D CA 0.040 54.007 54.000 -0.056 0.000 0.830 136 D CB 0.127 40.900 40.800 -0.045 0.000 0.958 136 D HN 0.062 nan 8.370 nan 0.000 0.501 137 K N 0.684 121.028 120.400 -0.093 0.000 2.318 137 K HA 0.500 4.820 4.320 -0.000 0.000 0.249 137 K C -0.143 176.455 176.600 -0.004 0.000 0.942 137 K CA -0.685 55.561 56.287 -0.068 0.000 0.808 137 K CB 2.598 34.977 32.500 -0.202 0.000 1.189 137 K HN -0.068 nan 8.250 nan 0.000 0.428 138 R N 2.060 122.587 120.500 0.045 0.000 2.621 138 R HA 0.534 4.874 4.340 -0.000 0.000 0.292 138 R C -0.549 175.825 176.300 0.122 0.000 0.969 138 R CA -0.791 55.350 56.100 0.068 0.000 0.887 138 R CB 1.237 31.561 30.300 0.040 0.000 1.180 138 R HN 0.518 nan 8.270 nan 0.000 0.450 139 L N 4.451 125.765 121.223 0.153 0.000 2.313 139 L HA 0.646 4.985 4.340 -0.000 0.000 0.283 139 L C -0.131 176.842 176.870 0.172 0.000 1.013 139 L CA -0.626 54.355 54.840 0.235 0.000 0.816 139 L CB 1.361 43.579 42.059 0.265 0.000 1.236 139 L HN 0.414 nan 8.230 nan 0.000 0.419 140 I N 3.360 124.041 120.570 0.184 0.000 2.533 140 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 140 I C -0.704 175.514 176.117 0.169 0.000 1.056 140 I CA -0.885 60.494 61.300 0.131 0.000 1.057 140 I CB 2.695 40.741 38.000 0.077 0.000 1.240 140 I HN 0.194 nan 8.210 nan 0.000 0.423 141 V N 6.462 126.457 119.914 0.136 0.000 2.417 141 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 141 V C -0.036 176.114 176.094 0.093 0.000 1.024 141 V CA -0.534 61.845 62.300 0.132 0.000 0.861 141 V CB 1.682 33.570 31.823 0.109 0.000 0.985 141 V HN 0.581 nan 8.190 nan 0.000 0.436 142 I N 1.854 122.473 120.570 0.082 0.000 2.797 142 I HA 0.742 4.912 4.170 -0.000 0.000 0.307 142 I C -0.607 175.545 176.117 0.059 0.000 1.033 142 I CA -0.978 60.359 61.300 0.062 0.000 1.071 142 I CB 2.209 40.235 38.000 0.044 0.000 1.255 142 I HN 0.395 nan 8.210 nan 0.000 0.445 143 K N 3.653 124.082 120.400 0.048 0.000 2.413 143 K HA 0.521 4.840 4.320 -0.000 0.000 0.257 143 K C -1.215 175.405 176.600 0.034 0.000 0.946 143 K CA -0.569 55.746 56.287 0.046 0.000 0.823 143 K CB 2.106 34.635 32.500 0.048 0.000 1.109 143 K HN 0.593 nan 8.250 nan 0.000 0.427 144 Q N 2.447 122.270 119.800 0.040 0.000 2.413 144 Q HA 0.399 4.739 4.340 -0.000 0.000 0.276 144 Q C -2.511 173.520 176.000 0.051 0.000 1.099 144 Q CA -2.484 53.340 55.803 0.035 0.000 0.814 144 Q CB 2.199 30.956 28.738 0.031 0.000 1.379 144 Q HN 0.346 nan 8.270 nan 0.000 0.436 145 P HA -0.068 nan 4.420 nan 0.000 0.264 145 P C 0.207 177.559 177.300 0.087 0.000 1.183 145 P CA 0.503 63.657 63.100 0.089 0.000 0.763 145 P CB 0.769 32.529 31.700 0.099 0.000 0.807 146 I N 1.210 121.840 120.570 0.100 0.000 2.493 146 I HA -0.075 4.095 4.170 -0.000 0.000 0.254 146 I C 1.146 177.306 176.117 0.072 0.000 1.160 146 I CA 1.922 63.266 61.300 0.073 0.000 1.445 146 I CB -0.346 37.685 38.000 0.053 0.000 1.086 146 I HN 0.737 nan 8.210 nan 0.000 0.433 147 G N -0.469 108.389 108.800 0.097 0.000 2.253 147 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.190 147 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.190 147 G C -0.624 174.334 174.900 0.097 0.000 1.274 147 G CA -0.224 44.929 45.100 0.088 0.000 1.275 147 G HN 0.002 nan 8.290 nan 0.000 0.518 148 V N 2.354 122.310 119.914 0.070 0.000 2.555 148 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 148 V C 1.039 177.177 176.094 0.073 0.000 1.044 148 V CA 0.855 63.193 62.300 0.063 0.000 1.026 148 V CB 0.611 32.455 31.823 0.035 0.000 0.981 148 V HN 1.380 nan 8.190 nan 0.000 0.480 149 T N 2.214 116.826 114.554 0.095 0.000 2.908 149 T HA 0.865 5.215 4.350 -0.000 0.000 0.290 149 T C -0.507 174.253 174.700 0.101 0.000 1.034 149 T CA -0.521 61.650 62.100 0.119 0.000 1.010 149 T CB 2.086 71.093 68.868 0.233 0.000 1.068 149 T HN 0.993 nan 8.240 nan 0.000 0.481 150 A N 1.002 123.878 122.820 0.094 0.000 2.350 150 A HA 0.947 5.266 4.320 -0.000 0.000 0.324 150 A C -0.264 177.390 177.584 0.118 0.000 1.118 150 A CA -0.848 51.239 52.037 0.083 0.000 0.783 150 A CB 1.175 20.206 19.000 0.052 0.000 1.236 150 A HN 1.632 nan 8.150 nan 0.000 0.457 151 A N 1.835 124.728 122.820 0.121 0.000 2.374 151 A HA 0.757 5.077 4.320 -0.000 0.000 0.305 151 A C -0.981 176.682 177.584 0.132 0.000 1.053 151 A CA -0.321 51.800 52.037 0.141 0.000 0.726 151 A CB 0.755 19.850 19.000 0.158 0.000 1.229 151 A HN 0.738 nan 8.150 nan 0.000 0.431 152 I N 2.473 123.145 120.570 0.171 0.000 2.418 152 I HA 0.472 4.642 4.170 -0.000 0.000 0.287 152 I C 0.057 176.235 176.117 0.101 0.000 1.008 152 I CA -0.338 61.083 61.300 0.202 0.000 1.104 152 I CB 2.445 40.673 38.000 0.379 0.000 1.264 152 I HN 0.755 nan 8.210 nan 0.000 0.438 153 T N 3.846 118.432 114.554 0.052 0.000 2.887 153 T HA 0.682 5.032 4.350 -0.000 0.000 0.288 153 T C -2.750 171.928 174.700 -0.036 0.000 1.021 153 T CA -2.022 60.058 62.100 -0.034 0.000 1.000 153 T CB 2.357 71.233 68.868 0.013 0.000 1.034 153 T HN 0.223 nan 8.240 nan 0.000 0.467 154 P HA 0.310 nan 4.420 nan 0.000 0.297 154 P C 0.681 177.931 177.300 -0.084 0.000 1.307 154 P CA -0.850 62.152 63.100 -0.163 0.000 0.773 154 P CB 0.964 32.440 31.700 -0.373 0.000 1.265 155 W N 0.582 121.913 121.300 0.051 0.000 3.077 155 W HA 0.040 4.700 4.660 -0.000 0.000 0.266 155 W C 0.800 177.330 176.519 0.018 0.000 1.300 155 W CA 0.323 57.690 57.345 0.036 0.000 1.586 155 W CB -1.563 27.910 29.460 0.022 0.000 1.103 155 W HN 0.231 nan 8.180 nan 0.000 0.652 156 N N 1.665 120.129 118.700 -0.394 0.000 2.333 156 N HA -0.109 4.630 4.740 -0.000 0.000 0.178 156 N C -0.227 174.995 175.510 -0.480 0.000 1.018 156 N CA 0.522 53.327 53.050 -0.407 0.000 0.882 156 N CB -1.087 36.984 38.487 -0.694 0.000 0.984 156 N HN 0.034 nan 8.380 nan 0.000 0.434 157 F N 0.376 120.282 119.950 -0.073 0.000 2.564 157 F HA 0.447 4.974 4.527 -0.000 0.000 0.361 157 F C -1.831 173.980 175.800 0.019 0.000 1.161 157 F CA -2.108 55.891 58.000 -0.001 0.000 1.198 157 F CB 2.229 41.228 39.000 -0.002 0.000 1.424 157 F HN -0.123 nan 8.300 nan 0.000 0.517 158 P HA -0.073 nan 4.420 nan 0.000 0.226 158 P C 1.118 178.505 177.300 0.145 0.000 1.153 158 P CA 0.956 64.141 63.100 0.141 0.000 0.777 158 P CB 0.449 32.235 31.700 0.143 0.000 0.794 159 A N -0.314 122.598 122.820 0.153 0.000 1.944 159 A HA 0.394 4.714 4.320 -0.000 0.000 0.207 159 A C 2.212 179.834 177.584 0.062 0.000 1.265 159 A CA 0.883 52.992 52.037 0.120 0.000 0.712 159 A CB -1.176 17.899 19.000 0.125 0.000 0.915 159 A HN 0.105 nan 8.150 nan 0.000 0.470 160 A N -0.358 122.520 122.820 0.096 0.000 1.930 160 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 160 A C 2.126 179.593 177.584 -0.195 0.000 1.175 160 A CA 1.830 53.836 52.037 -0.053 0.000 0.627 160 A CB -0.524 18.514 19.000 0.062 0.000 0.815 160 A HN 0.399 nan 8.150 nan 0.000 0.443 161 M N -0.222 119.338 119.600 -0.066 0.000 2.159 161 M HA -0.107 4.372 4.480 -0.000 0.000 0.263 161 M C 1.978 178.222 176.300 -0.092 0.000 1.063 161 M CA 1.125 56.362 55.300 -0.104 0.000 1.110 161 M CB -1.163 31.418 32.600 -0.032 0.000 1.374 161 M HN 0.314 nan 8.290 nan 0.000 0.411 162 I N 0.439 120.994 120.570 -0.025 0.000 2.090 162 I HA -0.237 3.933 4.170 -0.000 0.000 0.236 162 I C 2.679 178.747 176.117 -0.082 0.000 1.064 162 I CA 2.297 63.614 61.300 0.027 0.000 1.324 162 I CB -2.226 35.847 38.000 0.122 0.000 1.044 162 I HN 0.344 nan 8.210 nan 0.000 0.399 163 T N -0.977 113.471 114.554 -0.177 0.000 2.915 163 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 163 T C 2.015 176.557 174.700 -0.264 0.000 1.071 163 T CA 0.858 62.809 62.100 -0.248 0.000 1.132 163 T CB -0.426 68.308 68.868 -0.222 0.000 0.878 163 T HN 0.223 nan 8.240 nan 0.000 0.479 164 R N 0.850 121.062 120.500 -0.480 0.000 2.237 164 R HA 0.119 4.459 4.340 -0.000 0.000 0.219 164 R C 2.298 178.421 176.300 -0.295 0.000 1.080 164 R CA 1.079 56.797 56.100 -0.637 0.000 0.995 164 R CB 0.026 29.828 30.300 -0.830 0.000 0.875 164 R HN 0.495 nan 8.270 nan 0.000 0.462 165 K N -1.406 118.870 120.400 -0.206 0.000 2.325 165 K HA 0.227 4.547 4.320 -0.000 0.000 0.203 165 K C 1.901 178.362 176.600 -0.232 0.000 1.128 165 K CA 0.564 56.776 56.287 -0.125 0.000 0.931 165 K CB 0.200 32.723 32.500 0.038 0.000 1.125 165 K HN -0.006 nan 8.250 nan 0.000 0.487 166 A N 1.747 124.490 122.820 -0.128 0.000 1.930 166 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 166 A C 2.261 179.748 177.584 -0.161 0.000 1.175 166 A CA 1.909 53.880 52.037 -0.110 0.000 0.627 166 A CB -1.304 17.611 19.000 -0.142 0.000 0.815 166 A HN 0.375 nan 8.150 nan 0.000 0.443 167 G N 0.639 109.333 108.800 -0.177 0.000 2.587 167 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 167 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 167 G C 0.024 174.750 174.900 -0.290 0.000 1.240 167 G CA 1.385 46.442 45.100 -0.072 0.000 0.794 167 G HN 0.533 nan 8.290 nan 0.000 0.580 168 P HA -0.022 nan 4.420 nan 0.000 0.218 168 P C 2.018 178.858 177.300 -0.766 0.000 1.149 168 P CA 1.975 64.383 63.100 -1.154 0.000 0.817 168 P CB -0.162 30.630 31.700 -1.514 0.000 0.785 169 A N 0.794 123.059 122.820 -0.925 0.000 1.858 169 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 169 A C 2.460 179.998 177.584 -0.076 0.000 1.190 169 A CA 1.517 53.224 52.037 -0.551 0.000 0.617 169 A CB -1.560 17.234 19.000 -0.344 0.000 0.827 169 A HN 0.100 nan 8.150 nan 0.000 0.443 170 L N -1.039 120.192 121.223 0.013 0.000 2.093 170 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 170 L C 3.021 180.130 176.870 0.398 0.000 1.085 170 L CA 1.173 56.207 54.840 0.323 0.000 0.755 170 L CB -0.814 41.404 42.059 0.265 0.000 0.904 170 L HN 0.475 nan 8.230 nan 0.000 0.435 171 A N 0.200 123.113 122.820 0.156 0.000 2.015 171 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 171 A C 2.467 180.070 177.584 0.030 0.000 1.163 171 A CA 1.359 53.451 52.037 0.092 0.000 0.646 171 A CB -0.392 18.669 19.000 0.102 0.000 0.806 171 A HN 0.375 nan 8.150 nan 0.000 0.448 172 A N -1.774 121.064 122.820 0.029 0.000 2.119 172 A HA 0.356 4.676 4.320 -0.000 0.000 0.217 172 A C 1.887 179.503 177.584 0.053 0.000 1.153 172 A CA 1.517 53.579 52.037 0.043 0.000 0.692 172 A CB -0.751 18.299 19.000 0.084 0.000 0.799 172 A HN 1.840 nan 8.150 nan 0.000 0.458 173 G N -2.628 106.236 108.800 0.106 0.000 2.163 173 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.213 173 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.213 173 G C 0.196 175.300 174.900 0.339 0.000 0.991 173 G CA -0.078 45.076 45.100 0.089 0.000 0.653 173 G HN 0.615 nan 8.290 nan 0.000 0.518 174 C N 1.308 120.804 119.300 0.327 0.000 2.500 174 C HA 0.836 5.296 4.460 -0.000 0.000 0.367 174 C C 1.272 176.400 174.990 0.231 0.000 1.283 174 C CA 0.438 59.615 59.018 0.265 0.000 2.456 174 C CB 0.882 28.750 27.740 0.215 0.000 2.457 174 C HN 0.857 nan 8.230 nan 0.000 0.632 175 T N -0.289 114.334 114.554 0.115 0.000 2.949 175 T HA 0.732 5.082 4.350 -0.000 0.000 0.287 175 T C -0.778 173.946 174.700 0.040 0.000 1.034 175 T CA -0.661 61.431 62.100 -0.013 0.000 1.018 175 T CB 1.499 70.339 68.868 -0.046 0.000 1.135 175 T HN 0.782 nan 8.240 nan 0.000 0.532 176 M N 1.589 121.206 119.600 0.028 0.000 2.371 176 M HA 0.610 5.090 4.480 -0.000 0.000 0.287 176 M C -2.273 174.026 176.300 -0.001 0.000 1.149 176 M CA -0.786 54.564 55.300 0.084 0.000 0.929 176 M CB 2.144 34.873 32.600 0.214 0.000 1.683 176 M HN 0.554 nan 8.290 nan 0.000 0.470 177 V N 5.321 125.228 119.914 -0.010 0.000 2.409 177 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 177 V C -0.926 175.144 176.094 -0.040 0.000 1.020 177 V CA -0.643 61.610 62.300 -0.080 0.000 0.848 177 V CB 1.556 33.343 31.823 -0.061 0.000 0.990 177 V HN 0.828 nan 8.190 nan 0.000 0.430 178 L N 5.027 126.186 121.223 -0.107 0.000 2.322 178 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 178 L C -0.130 176.721 176.870 -0.031 0.000 1.014 178 L CA -0.349 54.479 54.840 -0.020 0.000 0.815 178 L CB 1.347 43.426 42.059 0.032 0.000 1.247 178 L HN 0.561 nan 8.230 nan 0.000 0.421 179 K N 7.418 127.834 120.400 0.027 0.000 2.389 179 K HA 0.496 4.815 4.320 -0.000 0.000 0.261 179 K C -2.683 173.954 176.600 0.061 0.000 1.014 179 K CA -1.833 54.473 56.287 0.032 0.000 0.920 179 K CB 1.445 33.970 32.500 0.042 0.000 1.149 179 K HN 0.319 nan 8.250 nan 0.000 0.444 180 P HA 0.130 nan 4.420 nan 0.000 0.278 180 P C -0.774 176.570 177.300 0.074 0.000 1.258 180 P CA -0.513 62.630 63.100 0.072 0.000 0.811 180 P CB 0.842 32.586 31.700 0.074 0.000 1.063 181 A N 1.561 124.440 122.820 0.098 0.000 2.520 181 A HA 0.105 4.424 4.320 -0.000 0.000 0.245 181 A C 1.684 179.312 177.584 0.074 0.000 1.072 181 A CA 0.186 52.302 52.037 0.131 0.000 0.761 181 A CB -0.798 18.341 19.000 0.232 0.000 1.004 181 A HN 0.506 nan 8.150 nan 0.000 0.499 182 S N 1.380 117.112 115.700 0.054 0.000 2.419 182 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 182 S C 1.801 176.374 174.600 -0.044 0.000 1.019 182 S CA 1.903 60.098 58.200 -0.008 0.000 0.982 182 S CB -0.179 63.020 63.200 -0.001 0.000 0.789 182 S HN 0.825 nan 8.310 nan 0.000 0.490 183 Q N 0.279 120.077 119.800 -0.004 0.000 2.331 183 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 183 Q C 0.688 176.676 176.000 -0.021 0.000 0.944 183 Q CA 1.105 56.884 55.803 -0.040 0.000 0.892 183 Q CB 0.201 28.881 28.738 -0.097 0.000 0.983 183 Q HN 0.602 nan 8.270 nan 0.000 0.482 184 T N -3.146 111.425 114.554 0.027 0.000 3.732 184 T HA 0.261 4.611 4.350 -0.000 0.000 0.234 184 T C -2.531 172.173 174.700 0.007 0.000 1.146 184 T CA -1.342 60.784 62.100 0.044 0.000 1.454 184 T CB 0.977 69.936 68.868 0.152 0.000 0.910 184 T HN -0.073 nan 8.240 nan 0.000 0.640 185 P HA 0.196 nan 4.420 nan 0.000 0.239 185 P C 1.037 178.336 177.300 -0.001 0.000 1.188 185 P CA -0.026 63.008 63.100 -0.110 0.000 0.794 185 P CB -0.104 31.462 31.700 -0.223 0.000 0.937 186 F N 0.999 121.031 119.950 0.137 0.000 2.171 186 F HA -0.087 4.440 4.527 -0.001 0.000 0.300 186 F C 2.546 178.446 175.800 0.166 0.000 1.090 186 F CA 1.060 59.154 58.000 0.158 0.000 1.293 186 F CB -1.699 37.442 39.000 0.234 0.000 1.013 186 F HN -0.090 nan 8.300 nan 0.000 0.486 187 S N 0.021 115.918 115.700 0.329 0.000 2.370 187 S HA -0.189 4.280 4.470 -0.000 0.000 0.226 187 S C 2.390 177.141 174.600 0.251 0.000 1.033 187 S CA 1.111 59.464 58.200 0.255 0.000 1.011 187 S CB -0.697 62.625 63.200 0.204 0.000 0.852 187 S HN 0.368 nan 8.310 nan 0.000 0.457 188 A N 1.237 124.198 122.820 0.236 0.000 1.898 188 A HA 0.028 4.347 4.320 -0.000 0.000 0.216 188 A C 2.095 179.868 177.584 0.314 0.000 1.181 188 A CA 1.095 53.288 52.037 0.260 0.000 0.620 188 A CB -0.644 18.474 19.000 0.196 0.000 0.819 188 A HN 0.458 nan 8.150 nan 0.000 0.442 189 L N -0.886 120.515 121.223 0.296 0.000 2.156 189 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 189 L C 3.059 180.157 176.870 0.380 0.000 1.095 189 L CA 0.817 55.872 54.840 0.358 0.000 0.770 189 L CB -0.521 41.739 42.059 0.335 0.000 0.914 189 L HN 0.434 nan 8.230 nan 0.000 0.439 190 A N 0.057 123.058 122.820 0.303 0.000 1.902 190 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 190 A C 2.143 179.916 177.584 0.315 0.000 1.181 190 A CA 1.426 53.613 52.037 0.250 0.000 0.623 190 A CB -0.558 18.569 19.000 0.210 0.000 0.818 190 A HN 0.238 nan 8.150 nan 0.000 0.443 191 L N -0.333 121.116 121.223 0.376 0.000 2.046 191 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 191 L C 2.998 180.249 176.870 0.635 0.000 1.077 191 L CA 1.852 57.005 54.840 0.522 0.000 0.747 191 L CB -1.298 41.040 42.059 0.464 0.000 0.896 191 L HN 0.420 nan 8.230 nan 0.000 0.432 192 A N -0.599 122.564 122.820 0.572 0.000 1.908 192 A HA -0.281 4.038 4.320 -0.000 0.000 0.218 192 A C 2.292 180.071 177.584 0.324 0.000 1.181 192 A CA 1.900 54.213 52.037 0.460 0.000 0.627 192 A CB -0.599 18.577 19.000 0.293 0.000 0.818 192 A HN 0.456 nan 8.150 nan 0.000 0.445 193 E N 0.386 120.866 120.200 0.466 0.000 2.058 193 E HA -0.164 4.185 4.350 -0.000 0.000 0.194 193 E C 1.782 178.513 176.600 0.217 0.000 0.997 193 E CA 1.616 58.273 56.400 0.428 0.000 0.801 193 E CB -0.503 29.362 29.700 0.276 0.000 0.746 193 E HN 0.594 nan 8.360 nan 0.000 0.450 194 L N -0.090 121.266 121.223 0.221 0.000 2.141 194 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 194 L C 2.558 179.409 176.870 -0.032 0.000 1.094 194 L CA 0.878 55.839 54.840 0.201 0.000 0.763 194 L CB -0.650 41.650 42.059 0.402 0.000 0.908 194 L HN 0.254 nan 8.230 nan 0.000 0.437 195 A N 0.647 123.250 122.820 -0.361 0.000 1.908 195 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 195 A C 2.147 179.494 177.584 -0.395 0.000 1.181 195 A CA 1.441 52.920 52.037 -0.930 0.000 0.627 195 A CB -0.473 17.854 19.000 -1.121 0.000 0.818 195 A HN 0.252 nan 8.150 nan 0.000 0.445 196 I N -0.034 120.434 120.570 -0.170 0.000 2.118 196 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 196 I C 2.519 178.615 176.117 -0.035 0.000 1.070 196 I CA 1.705 62.959 61.300 -0.078 0.000 1.327 196 I CB -1.511 36.505 38.000 0.027 0.000 1.034 196 I HN 0.368 nan 8.210 nan 0.000 0.405 197 R N 0.620 121.125 120.500 0.008 0.000 2.152 197 R HA -0.049 4.290 4.340 -0.000 0.000 0.232 197 R C 2.202 178.526 176.300 0.039 0.000 1.117 197 R CA 1.283 57.409 56.100 0.044 0.000 0.981 197 R CB -0.332 30.016 30.300 0.080 0.000 0.870 197 R HN 0.383 nan 8.270 nan 0.000 0.451 198 A N 0.069 122.890 122.820 0.002 0.000 2.119 198 A HA 0.127 4.446 4.320 -0.000 0.000 0.217 198 A C 1.505 179.104 177.584 0.026 0.000 1.153 198 A CA 1.128 53.187 52.037 0.036 0.000 0.692 198 A CB -0.047 18.972 19.000 0.033 0.000 0.799 198 A HN 0.462 nan 8.150 nan 0.000 0.458 199 G N -1.924 106.866 108.800 -0.017 0.000 2.148 199 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.203 199 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.203 199 G C 0.066 174.959 174.900 -0.011 0.000 0.993 199 G CA -0.082 45.023 45.100 0.007 0.000 0.661 199 G HN 0.722 nan 8.290 nan 0.000 0.518 200 V N 2.300 122.138 119.914 -0.127 0.000 2.450 200 V HA 0.286 4.406 4.120 -0.000 0.000 0.281 200 V C -0.968 175.010 176.094 -0.193 0.000 1.019 200 V CA -0.627 61.532 62.300 -0.235 0.000 1.062 200 V CB 0.777 32.325 31.823 -0.459 0.000 0.979 200 V HN 0.220 nan 8.190 nan 0.000 0.477 201 P HA 0.206 nan 4.420 nan 0.000 0.270 201 P C -0.252 176.954 177.300 -0.156 0.000 1.223 201 P CA -0.231 62.813 63.100 -0.093 0.000 0.785 201 P CB 0.472 32.173 31.700 0.001 0.000 0.923 202 A N 2.029 124.778 122.820 -0.119 0.000 2.566 202 A HA 0.383 4.703 4.320 -0.000 0.000 0.245 202 A C 1.554 179.052 177.584 -0.143 0.000 1.056 202 A CA 0.894 52.846 52.037 -0.141 0.000 0.757 202 A CB -1.555 17.380 19.000 -0.109 0.000 0.979 202 A HN 0.890 nan 8.150 nan 0.000 0.508 203 G N 1.142 109.837 108.800 -0.176 0.000 2.217 203 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 203 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 203 G C 0.938 175.730 174.900 -0.179 0.000 0.990 203 G CA 0.575 45.581 45.100 -0.158 0.000 0.627 203 G HN 1.223 nan 8.290 nan 0.000 0.522 204 V N -0.561 119.205 119.914 -0.248 0.000 2.453 204 V HA 0.316 4.436 4.120 -0.000 0.000 0.247 204 V C 0.964 176.918 176.094 -0.234 0.000 1.048 204 V CA 2.101 64.174 62.300 -0.379 0.000 1.049 204 V CB -0.189 31.168 31.823 -0.777 0.000 0.672 204 V HN 0.561 nan 8.190 nan 0.000 0.457 205 F N 1.708 121.439 119.950 -0.365 0.000 2.612 205 F HA 0.518 5.045 4.527 -0.000 0.000 0.332 205 F C -0.580 175.082 175.800 -0.230 0.000 1.167 205 F CA -1.247 56.588 58.000 -0.275 0.000 0.970 205 F CB 0.969 39.776 39.000 -0.322 0.000 1.234 205 F HN 0.015 nan 8.300 nan 0.000 0.453 206 N N 5.163 123.468 118.700 -0.658 0.000 2.269 206 N HA 0.577 5.317 4.740 -0.000 0.000 0.304 206 N C -1.687 173.415 175.510 -0.681 0.000 1.072 206 N CA -0.650 52.052 53.050 -0.580 0.000 0.802 206 N CB 2.984 41.275 38.487 -0.326 0.000 1.348 206 N HN 0.271 nan 8.380 nan 0.000 0.484 207 V N 1.967 121.560 119.914 -0.534 0.000 2.376 207 V HA 0.303 4.423 4.120 -0.000 0.000 0.287 207 V C -0.131 175.852 176.094 -0.186 0.000 1.015 207 V CA -0.732 61.357 62.300 -0.351 0.000 0.834 207 V CB 1.659 33.321 31.823 -0.267 0.000 1.001 207 V HN 0.360 nan 8.190 nan 0.000 0.428 208 V N 4.595 124.432 119.914 -0.128 0.000 2.384 208 V HA 0.522 4.642 4.120 -0.000 0.000 0.287 208 V C 0.489 176.561 176.094 -0.036 0.000 1.020 208 V CA -0.378 61.877 62.300 -0.075 0.000 0.850 208 V CB 2.036 33.818 31.823 -0.069 0.000 0.987 208 V HN 0.987 nan 8.190 nan 0.000 0.436 209 T N 1.648 116.190 114.554 -0.020 0.000 2.902 209 T HA 0.925 5.275 4.350 -0.000 0.000 0.283 209 T C 0.140 174.835 174.700 -0.008 0.000 1.009 209 T CA -0.065 62.029 62.100 -0.010 0.000 1.051 209 T CB 1.923 70.784 68.868 -0.011 0.000 0.999 209 T HN 1.329 nan 8.240 nan 0.000 0.474 210 G N 0.415 109.212 108.800 -0.004 0.000 2.324 210 G HA2 0.429 4.389 3.960 -0.000 0.000 0.293 210 G HA3 0.429 4.389 3.960 -0.000 0.000 0.293 210 G C -1.244 173.659 174.900 0.006 0.000 1.297 210 G CA -1.025 44.074 45.100 -0.001 0.000 0.853 210 G HN 0.774 nan 8.290 nan 0.000 0.535 211 S N 0.717 116.421 115.700 0.006 0.000 2.465 211 S HA 0.540 5.010 4.470 -0.000 0.000 0.279 211 S C 1.536 176.146 174.600 0.018 0.000 1.201 211 S CA 0.649 58.856 58.200 0.012 0.000 1.053 211 S CB 0.991 64.195 63.200 0.007 0.000 0.953 211 S HN 1.926 nan 8.310 nan 0.000 0.488 212 A N 4.630 127.469 122.820 0.031 0.000 2.262 212 A HA -0.319 4.001 4.320 -0.000 0.000 0.280 212 A C 2.219 179.813 177.584 0.018 0.000 3.215 212 A CA 2.592 54.652 52.037 0.039 0.000 1.023 212 A CB -1.800 17.228 19.000 0.046 0.000 0.585 212 A HN 1.052 nan 8.150 nan 0.000 0.462 213 G N -2.050 106.754 108.800 0.006 0.000 2.448 213 G HA2 0.102 4.062 3.960 -0.000 0.000 0.219 213 G HA3 0.102 4.062 3.960 -0.000 0.000 0.219 213 G C 1.660 176.555 174.900 -0.008 0.000 1.127 213 G CA 1.859 46.955 45.100 -0.007 0.000 0.766 213 G HN 1.344 nan 8.290 nan 0.000 0.552 214 A N 0.150 122.968 122.820 -0.003 0.000 1.854 214 A HA 0.140 4.460 4.320 -0.000 0.000 0.214 214 A C 2.591 180.171 177.584 -0.006 0.000 1.192 214 A CA 1.689 53.722 52.037 -0.005 0.000 0.611 214 A CB -0.596 18.402 19.000 -0.004 0.000 0.832 214 A HN 0.216 nan 8.150 nan 0.000 0.442 215 V N 0.051 119.963 119.914 -0.002 0.000 2.307 215 V HA -0.145 3.974 4.120 -0.000 0.000 0.245 215 V C 2.860 178.953 176.094 -0.002 0.000 1.045 215 V CA 1.933 64.231 62.300 -0.003 0.000 1.024 215 V CB -1.559 30.266 31.823 0.002 0.000 0.651 215 V HN 0.599 nan 8.190 nan 0.000 0.449 216 G N 0.319 109.119 108.800 0.000 0.000 2.446 216 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 216 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 216 G C 1.414 176.301 174.900 -0.020 0.000 1.168 216 G CA 1.130 46.225 45.100 -0.009 0.000 0.771 216 G HN 0.519 nan 8.290 nan 0.000 0.551 217 N N 0.539 119.226 118.700 -0.021 0.000 2.149 217 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 217 N C 2.069 177.568 175.510 -0.018 0.000 1.019 217 N CA 1.422 54.459 53.050 -0.022 0.000 0.857 217 N CB -0.280 38.195 38.487 -0.019 0.000 0.997 217 N HN 0.444 nan 8.380 nan 0.000 0.426 218 E N 0.876 121.068 120.200 -0.015 0.000 2.072 218 E HA 0.021 4.371 4.350 -0.000 0.000 0.190 218 E C 1.989 178.582 176.600 -0.012 0.000 0.982 218 E CA 0.656 57.047 56.400 -0.013 0.000 0.803 218 E CB -0.328 29.363 29.700 -0.014 0.000 0.755 218 E HN 0.286 nan 8.360 nan 0.000 0.453 219 L N 0.413 121.630 121.223 -0.010 0.000 2.043 219 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 219 L C 2.577 179.442 176.870 -0.007 0.000 1.075 219 L CA 1.969 56.806 54.840 -0.004 0.000 0.752 219 L CB -1.004 41.058 42.059 0.005 0.000 0.891 219 L HN 0.351 nan 8.230 nan 0.000 0.432 220 T N -4.645 109.899 114.554 -0.016 0.000 3.043 220 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 220 T C 1.824 176.513 174.700 -0.019 0.000 1.094 220 T CA 0.804 62.891 62.100 -0.021 0.000 1.127 220 T CB -0.099 68.747 68.868 -0.037 0.000 0.905 220 T HN 0.404 nan 8.240 nan 0.000 0.490 221 S N 0.531 116.222 115.700 -0.017 0.000 2.503 221 S HA 0.166 4.635 4.470 -0.000 0.000 0.215 221 S C 0.817 175.411 174.600 -0.011 0.000 1.003 221 S CA -0.545 57.646 58.200 -0.014 0.000 0.910 221 S CB -0.526 62.665 63.200 -0.015 0.000 0.790 221 S HN 0.385 nan 8.310 nan 0.000 0.514 222 N N 3.623 122.317 118.700 -0.010 0.000 2.411 222 N HA 0.241 4.981 4.740 -0.000 0.000 0.259 222 N C -1.923 173.584 175.510 -0.005 0.000 1.103 222 N CA -1.696 51.350 53.050 -0.007 0.000 0.954 222 N CB 1.570 40.052 38.487 -0.008 0.000 1.085 222 N HN 0.132 nan 8.380 nan 0.000 0.485 223 P HA -0.059 nan 4.420 nan 0.000 0.230 223 P C 1.473 178.774 177.300 0.002 0.000 1.158 223 P CA 0.629 63.728 63.100 -0.001 0.000 0.769 223 P CB 0.457 32.156 31.700 -0.002 0.000 0.807 224 L N -0.903 120.321 121.223 0.002 0.000 2.201 224 L HA -0.035 4.304 4.340 -0.000 0.000 0.212 224 L C 0.926 177.802 176.870 0.011 0.000 1.105 224 L CA 0.608 55.452 54.840 0.006 0.000 0.775 224 L CB -0.504 41.556 42.059 0.003 0.000 0.913 224 L HN -0.205 nan 8.230 nan 0.000 0.440 225 V N 0.865 120.784 119.914 0.008 0.000 2.427 225 V HA 0.051 4.170 4.120 -0.000 0.000 0.268 225 V C 1.136 177.237 176.094 0.012 0.000 1.046 225 V CA 0.200 62.508 62.300 0.014 0.000 0.970 225 V CB 0.991 32.820 31.823 0.011 0.000 1.001 225 V HN 0.305 nan 8.190 nan 0.000 0.476 226 R N 2.664 123.175 120.500 0.018 0.000 2.334 226 R HA 0.216 4.556 4.340 -0.000 0.000 0.212 226 R C 0.286 176.584 176.300 -0.002 0.000 0.897 226 R CA -0.095 56.011 56.100 0.011 0.000 1.056 226 R CB 0.519 30.831 30.300 0.019 0.000 1.046 226 R HN 0.566 nan 8.270 nan 0.000 0.513 227 K N 0.902 121.302 120.400 -0.001 0.000 2.550 227 K HA 0.285 4.605 4.320 -0.000 0.000 0.252 227 K C -2.100 174.493 176.600 -0.012 0.000 0.943 227 K CA -0.683 55.583 56.287 -0.035 0.000 0.806 227 K CB 1.586 34.044 32.500 -0.071 0.000 1.289 227 K HN -0.060 nan 8.250 nan 0.000 0.435 228 L N 2.414 123.623 121.223 -0.022 0.000 2.362 228 L HA 0.710 5.050 4.340 -0.000 0.000 0.275 228 L C -1.304 175.581 176.870 0.025 0.000 0.998 228 L CA 0.013 54.865 54.840 0.020 0.000 0.820 228 L CB 2.269 44.341 42.059 0.023 0.000 1.270 228 L HN 0.672 nan 8.230 nan 0.000 0.415 229 S N 4.498 120.249 115.700 0.083 0.000 2.478 229 S HA 0.725 5.195 4.470 -0.000 0.000 0.312 229 S C -1.309 173.408 174.600 0.194 0.000 1.094 229 S CA -0.421 57.846 58.200 0.112 0.000 1.081 229 S CB 0.579 63.860 63.200 0.135 0.000 1.007 229 S HN 0.523 nan 8.310 nan 0.000 0.475 230 F N 3.362 123.323 119.950 0.018 0.000 2.569 230 F HA 0.647 5.174 4.527 -0.001 0.000 0.312 230 F C -0.710 175.098 175.800 0.012 0.000 1.109 230 F CA -0.193 57.816 58.000 0.017 0.000 0.919 230 F CB 2.060 41.066 39.000 0.011 0.000 1.211 230 F HN 0.439 nan 8.300 nan 0.000 0.446 231 T N 4.514 118.544 114.554 -0.873 0.000 2.812 231 T HA 0.818 5.168 4.350 -0.000 0.000 0.282 231 T C -0.124 173.796 174.700 -1.299 0.000 0.990 231 T CA -0.166 61.445 62.100 -0.815 0.000 0.960 231 T CB 1.227 69.871 68.868 -0.372 0.000 0.948 231 T HN 1.136 nan 8.240 nan 0.000 0.438 232 G N 1.804 110.051 108.800 -0.921 0.000 2.399 232 G HA2 0.426 4.386 3.960 -0.000 0.000 0.256 232 G HA3 0.426 4.386 3.960 -0.000 0.000 0.256 232 G C -0.575 174.298 174.900 -0.044 0.000 1.236 232 G CA -0.257 44.555 45.100 -0.479 0.000 0.914 232 G HN 0.945 nan 8.290 nan 0.000 0.482 233 S N -0.354 115.437 115.700 0.151 0.000 2.576 233 S HA 0.432 4.902 4.470 -0.000 0.000 0.276 233 S C 1.431 176.161 174.600 0.217 0.000 1.339 233 S CA 1.101 59.372 58.200 0.118 0.000 1.039 233 S CB 1.249 64.503 63.200 0.090 0.000 0.902 233 S HN 0.901 nan 8.310 nan 0.000 0.516 234 T N 1.333 115.985 114.554 0.164 0.000 2.720 234 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 234 T C 1.857 176.624 174.700 0.112 0.000 1.037 234 T CA 1.617 63.821 62.100 0.173 0.000 1.144 234 T CB -0.592 68.409 68.868 0.222 0.000 0.864 234 T HN 0.750 nan 8.240 nan 0.000 0.444 235 E N 0.760 121.013 120.200 0.088 0.000 2.077 235 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 235 E C 2.264 178.861 176.600 -0.004 0.000 0.989 235 E CA 0.731 57.155 56.400 0.040 0.000 0.800 235 E CB -0.380 29.343 29.700 0.039 0.000 0.746 235 E HN 0.495 nan 8.360 nan 0.000 0.452 236 I N 0.630 121.196 120.570 -0.006 0.000 2.353 236 I HA 0.016 4.186 4.170 -0.000 0.000 0.248 236 I C 2.811 178.720 176.117 -0.346 0.000 1.119 236 I CA 1.435 62.643 61.300 -0.154 0.000 1.417 236 I CB -1.897 36.033 38.000 -0.117 0.000 1.078 236 I HN 0.417 nan 8.210 nan 0.000 0.421 237 G N 1.312 110.003 108.800 -0.183 0.000 2.529 237 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.219 237 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.219 237 G C 1.880 176.725 174.900 -0.092 0.000 1.177 237 G CA 0.685 45.723 45.100 -0.103 0.000 0.773 237 G HN 0.316 nan 8.290 nan 0.000 0.573 238 R N 0.025 120.499 120.500 -0.042 0.000 2.096 238 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 238 R C 2.899 179.158 176.300 -0.068 0.000 1.139 238 R CA 1.837 57.913 56.100 -0.039 0.000 0.952 238 R CB -0.425 29.863 30.300 -0.020 0.000 0.854 238 R HN 0.501 nan 8.270 nan 0.000 0.436 239 Q N 0.404 120.147 119.800 -0.095 0.000 2.079 239 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 239 Q C 2.307 178.234 176.000 -0.123 0.000 0.974 239 Q CA 1.179 56.923 55.803 -0.098 0.000 0.840 239 Q CB -0.103 28.576 28.738 -0.099 0.000 0.898 239 Q HN 0.351 nan 8.270 nan 0.000 0.430 240 L N 0.128 121.234 121.223 -0.195 0.000 2.046 240 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 240 L C 2.588 179.390 176.870 -0.114 0.000 1.077 240 L CA 0.967 55.691 54.840 -0.193 0.000 0.747 240 L CB -0.352 41.505 42.059 -0.337 0.000 0.896 240 L HN 0.350 nan 8.230 nan 0.000 0.432 241 M N -0.085 119.459 119.600 -0.094 0.000 2.117 241 M HA -0.251 4.229 4.480 -0.000 0.000 0.262 241 M C 2.107 178.380 176.300 -0.044 0.000 1.065 241 M CA 1.827 57.096 55.300 -0.052 0.000 1.114 241 M CB -0.020 32.560 32.600 -0.033 0.000 1.361 241 M HN 0.185 nan 8.290 nan 0.000 0.408 242 E N -0.152 120.019 120.200 -0.048 0.000 2.058 242 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 242 E C 2.030 178.607 176.600 -0.038 0.000 0.997 242 E CA 1.836 58.212 56.400 -0.039 0.000 0.801 242 E CB -0.158 29.518 29.700 -0.039 0.000 0.746 242 E HN 0.654 nan 8.360 nan 0.000 0.450 243 Q N -0.382 119.389 119.800 -0.047 0.000 2.124 243 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 243 Q C 2.207 178.186 176.000 -0.035 0.000 0.977 243 Q CA 1.227 57.004 55.803 -0.042 0.000 0.850 243 Q CB -0.077 28.630 28.738 -0.052 0.000 0.901 243 Q HN 0.343 nan 8.270 nan 0.000 0.429 244 C N 0.122 119.400 119.300 -0.036 0.000 2.472 244 C HA 0.056 4.516 4.460 -0.000 0.000 0.278 244 C C 2.624 177.601 174.990 -0.022 0.000 1.447 244 C CA 0.248 59.249 59.018 -0.028 0.000 1.773 244 C CB -1.211 26.512 27.740 -0.028 0.000 1.793 244 C HN 0.559 nan 8.230 nan 0.000 0.544 245 A N 1.007 123.814 122.820 -0.022 0.000 1.933 245 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 245 A C 2.250 179.825 177.584 -0.015 0.000 1.175 245 A CA 1.892 53.919 52.037 -0.018 0.000 0.628 245 A CB -0.523 18.466 19.000 -0.018 0.000 0.814 245 A HN 0.681 nan 8.150 nan 0.000 0.444 246 K N -0.371 120.020 120.400 -0.015 0.000 2.044 246 K HA -0.223 4.096 4.320 -0.000 0.000 0.210 246 K C 0.501 177.095 176.600 -0.010 0.000 1.049 246 K CA 1.958 58.237 56.287 -0.013 0.000 0.927 246 K CB -0.185 32.307 32.500 -0.013 0.000 0.713 246 K HN 0.412 nan 8.250 nan 0.000 0.443 247 D N 0.420 120.814 120.400 -0.010 0.000 2.349 247 D HA 0.057 4.696 4.640 -0.000 0.000 0.214 247 D C 0.239 176.535 176.300 -0.007 0.000 1.063 247 D CA 0.127 54.123 54.000 -0.007 0.000 0.847 247 D CB 0.366 41.162 40.800 -0.007 0.000 0.933 247 D HN 0.224 nan 8.370 nan 0.000 0.513 248 I N 1.107 121.672 120.570 -0.009 0.000 6.679 248 I HA -0.331 3.838 4.170 -0.000 0.000 0.126 248 I C 0.230 176.341 176.117 -0.010 0.000 1.811 248 I CA 0.673 61.967 61.300 -0.009 0.000 2.117 248 I CB -2.186 35.810 38.000 -0.006 0.000 3.492 248 I HN 0.045 nan 8.210 nan 0.000 0.193 249 K N 1.581 121.973 120.400 -0.013 0.000 2.414 249 K HA 0.153 4.473 4.320 -0.000 0.000 0.272 249 K C 0.709 177.296 176.600 -0.022 0.000 0.993 249 K CA -0.360 55.918 56.287 -0.015 0.000 0.964 249 K CB 0.998 33.489 32.500 -0.016 0.000 0.925 249 K HN 0.190 nan 8.250 nan 0.000 0.487 250 K N 1.951 122.333 120.400 -0.030 0.000 2.379 250 K HA 0.106 4.426 4.320 -0.000 0.000 0.284 250 K C -0.999 175.566 176.600 -0.058 0.000 1.044 250 K CA -0.252 56.008 56.287 -0.046 0.000 0.974 250 K CB 0.568 33.031 32.500 -0.063 0.000 0.962 250 K HN 0.243 nan 8.250 nan 0.000 0.474 251 V N 3.126 123.013 119.914 -0.046 0.000 2.487 251 V HA 0.256 4.376 4.120 -0.000 0.000 0.298 251 V C -0.586 175.492 176.094 -0.027 0.000 1.028 251 V CA -0.862 61.420 62.300 -0.031 0.000 0.860 251 V CB 1.841 33.657 31.823 -0.011 0.000 0.991 251 V HN 0.745 nan 8.190 nan 0.000 0.427 252 S N 5.540 121.226 115.700 -0.024 0.000 2.475 252 S HA 0.828 5.298 4.470 -0.000 0.000 0.298 252 S C -0.624 174.019 174.600 0.072 0.000 1.119 252 S CA -0.495 57.708 58.200 0.004 0.000 1.085 252 S CB 0.985 64.167 63.200 -0.029 0.000 1.028 252 S HN 0.534 nan 8.310 nan 0.000 0.489 253 L N 2.903 124.176 121.223 0.084 0.000 2.436 253 L HA 0.535 4.875 4.340 -0.000 0.000 0.268 253 L C -0.603 176.323 176.870 0.093 0.000 0.974 253 L CA -0.567 54.355 54.840 0.137 0.000 0.826 253 L CB 1.957 44.110 42.059 0.156 0.000 1.291 253 L HN 0.476 nan 8.230 nan 0.000 0.406 254 E N 4.121 124.355 120.200 0.057 0.000 2.182 254 E HA 0.504 4.853 4.350 -0.000 0.000 0.258 254 E C -0.971 175.633 176.600 0.007 0.000 0.879 254 E CA -0.624 55.791 56.400 0.024 0.000 0.754 254 E CB 2.762 32.452 29.700 -0.016 0.000 1.162 254 E HN 0.236 nan 8.360 nan 0.000 0.419 255 L N 0.378 121.638 121.223 0.062 0.000 2.670 255 L HA 0.498 4.838 4.340 -0.000 0.000 0.251 255 L C 1.174 178.066 176.870 0.037 0.000 1.548 255 L CA -0.548 54.341 54.840 0.082 0.000 1.643 255 L CB -0.426 41.729 42.059 0.160 0.000 2.174 255 L HN 0.582 nan 8.230 nan 0.000 0.585 256 G N -1.155 107.674 108.800 0.048 0.000 2.562 256 G HA2 0.415 4.374 3.960 -0.000 0.000 0.233 256 G HA3 0.415 4.374 3.960 -0.000 0.000 0.233 256 G C -0.215 174.488 174.900 -0.329 0.000 1.266 256 G CA 0.455 45.467 45.100 -0.147 0.000 0.852 256 G HN 0.808 nan 8.290 nan 0.000 0.581 257 G N -0.568 107.932 108.800 -0.500 0.000 2.642 257 G HA2 0.461 4.420 3.960 -0.000 0.000 0.293 257 G HA3 0.461 4.420 3.960 -0.000 0.000 0.293 257 G C -1.094 173.509 174.900 -0.494 0.000 1.341 257 G CA -0.732 44.122 45.100 -0.409 0.000 0.916 257 G HN 0.753 nan 8.290 nan 0.000 0.474 258 N N -0.404 118.200 118.700 -0.159 0.000 2.722 258 N HA 0.460 5.200 4.740 -0.000 0.000 0.242 258 N C -0.212 175.418 175.510 0.201 0.000 1.398 258 N CA -0.286 52.798 53.050 0.057 0.000 0.755 258 N CB 1.026 39.649 38.487 0.227 0.000 1.268 258 N HN 0.720 nan 8.380 nan 0.000 0.522 259 A N 3.120 126.039 122.820 0.165 0.000 2.396 259 A HA 0.457 4.777 4.320 -0.000 0.000 0.279 259 A C -2.230 175.464 177.584 0.185 0.000 1.165 259 A CA -0.915 51.213 52.037 0.153 0.000 0.824 259 A CB -0.111 19.034 19.000 0.241 0.000 1.100 259 A HN 0.475 nan 8.150 nan 0.000 0.516 260 P HA 0.308 nan 4.420 nan 0.000 0.279 260 P C -1.008 176.481 177.300 0.315 0.000 1.239 260 P CA -0.028 63.208 63.100 0.226 0.000 0.789 260 P CB 0.660 32.419 31.700 0.098 0.000 0.933 261 F N 3.898 123.994 119.950 0.244 0.000 2.500 261 F HA 0.498 5.025 4.527 -0.000 0.000 0.349 261 F C -0.745 175.176 175.800 0.200 0.000 1.127 261 F CA -0.886 57.260 58.000 0.243 0.000 0.998 261 F CB 0.667 39.754 39.000 0.145 0.000 1.237 261 F HN 0.094 nan 8.300 nan 0.000 0.439 262 I N 6.950 127.550 120.570 0.050 0.000 2.378 262 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 262 I C -1.009 175.103 176.117 -0.008 0.000 0.992 262 I CA -1.125 60.173 61.300 -0.002 0.000 1.154 262 I CB 1.730 39.605 38.000 -0.208 0.000 1.315 262 I HN 0.188 nan 8.210 nan 0.000 0.448 263 V N 6.765 126.672 119.914 -0.011 0.000 2.350 263 V HA 0.387 4.507 4.120 -0.000 0.000 0.285 263 V C -0.197 175.922 176.094 0.041 0.000 1.014 263 V CA -0.495 61.822 62.300 0.028 0.000 0.831 263 V CB 0.942 32.638 31.823 -0.213 0.000 1.000 263 V HN 0.402 nan 8.190 nan 0.000 0.433 264 F N 1.773 121.899 119.950 0.293 0.000 2.370 264 F HA 0.324 4.851 4.527 -0.000 0.000 0.319 264 F C 1.688 177.573 175.800 0.140 0.000 1.129 264 F CA -0.287 57.872 58.000 0.265 0.000 1.109 264 F CB 0.616 39.774 39.000 0.264 0.000 1.262 264 F HN 0.457 nan 8.300 nan 0.000 0.534 265 D N 0.509 121.080 120.400 0.285 0.000 2.191 265 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 265 D C 1.382 177.788 176.300 0.176 0.000 1.003 265 D CA 1.841 55.942 54.000 0.168 0.000 0.867 265 D CB -0.299 40.581 40.800 0.133 0.000 0.926 265 D HN 0.570 nan 8.370 nan 0.000 0.450 266 D N -0.438 120.092 120.400 0.216 0.000 2.342 266 D HA 0.166 4.805 4.640 -0.000 0.000 0.221 266 D C 0.342 176.757 176.300 0.192 0.000 1.101 266 D CA -0.217 53.883 54.000 0.167 0.000 0.837 266 D CB -0.325 40.551 40.800 0.126 0.000 0.938 266 D HN 0.001 nan 8.370 nan 0.000 0.508 267 A N 0.557 123.525 122.820 0.247 0.000 2.386 267 A HA 0.166 4.486 4.320 -0.000 0.000 0.248 267 A C 0.252 177.964 177.584 0.213 0.000 1.082 267 A CA -0.406 51.795 52.037 0.273 0.000 0.789 267 A CB 0.331 19.532 19.000 0.335 0.000 1.025 267 A HN 0.121 nan 8.150 nan 0.000 0.490 268 D N 2.048 122.583 120.400 0.225 0.000 2.348 268 D HA 0.116 4.756 4.640 -0.000 0.000 0.259 268 D C 1.047 177.451 176.300 0.173 0.000 1.296 268 D CA 0.092 54.199 54.000 0.178 0.000 0.931 268 D CB 0.275 41.179 40.800 0.174 0.000 1.067 268 D HN 0.470 nan 8.370 nan 0.000 0.503 269 L N 3.006 124.316 121.223 0.145 0.000 2.046 269 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 269 L C 1.704 178.626 176.870 0.087 0.000 1.077 269 L CA 0.879 55.811 54.840 0.153 0.000 0.747 269 L CB -0.136 42.012 42.059 0.149 0.000 0.896 269 L HN 0.364 nan 8.230 nan 0.000 0.432 270 D N 0.202 120.634 120.400 0.054 0.000 2.144 270 D HA -0.165 4.474 4.640 -0.000 0.000 0.199 270 D C 2.182 178.497 176.300 0.024 0.000 0.984 270 D CA 1.196 55.205 54.000 0.014 0.000 0.834 270 D CB 0.018 40.829 40.800 0.018 0.000 0.955 270 D HN 0.291 nan 8.370 nan 0.000 0.465 271 K N 0.517 120.962 120.400 0.076 0.000 2.103 271 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 271 K C 2.148 178.751 176.600 0.005 0.000 1.052 271 K CA 0.832 57.197 56.287 0.129 0.000 0.945 271 K CB 0.013 32.663 32.500 0.250 0.000 0.722 271 K HN -0.011 nan 8.250 nan 0.000 0.443 272 A N 1.070 123.757 122.820 -0.221 0.000 1.908 272 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 272 A C 2.342 179.899 177.584 -0.044 0.000 1.181 272 A CA 1.530 53.197 52.037 -0.616 0.000 0.627 272 A CB -0.719 18.159 19.000 -0.204 0.000 0.818 272 A HN 0.069 nan 8.150 nan 0.000 0.445 273 V N -0.377 119.530 119.914 -0.012 0.000 2.295 273 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 273 V C 2.701 178.725 176.094 -0.117 0.000 1.049 273 V CA 2.300 64.489 62.300 -0.185 0.000 1.024 273 V CB -0.849 30.776 31.823 -0.331 0.000 0.648 273 V HN 0.769 nan 8.190 nan 0.000 0.447 274 E N 0.346 120.514 120.200 -0.055 0.000 2.058 274 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 274 E C 2.298 178.913 176.600 0.025 0.000 0.997 274 E CA 1.500 57.893 56.400 -0.012 0.000 0.801 274 E CB -0.951 28.765 29.700 0.025 0.000 0.746 274 E HN 0.753 nan 8.360 nan 0.000 0.450 275 G N -0.149 108.708 108.800 0.095 0.000 2.418 275 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.217 275 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.217 275 G C 1.840 176.770 174.900 0.049 0.000 1.158 275 G CA 1.236 46.474 45.100 0.230 0.000 0.771 275 G HN 0.694 nan 8.290 nan 0.000 0.545 276 A N 0.287 122.989 122.820 -0.197 0.000 1.902 276 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 276 A C 2.371 179.746 177.584 -0.348 0.000 1.181 276 A CA 1.557 53.152 52.037 -0.737 0.000 0.623 276 A CB -0.474 18.154 19.000 -0.620 0.000 0.818 276 A HN 0.353 nan 8.150 nan 0.000 0.443 277 L N -0.274 120.874 121.223 -0.125 0.000 1.989 277 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 277 L C 2.854 179.759 176.870 0.059 0.000 1.071 277 L CA 2.160 57.036 54.840 0.061 0.000 0.749 277 L CB -0.610 41.456 42.059 0.012 0.000 0.890 277 L HN 0.369 nan 8.230 nan 0.000 0.431 278 A N -2.092 120.723 122.820 -0.008 0.000 1.902 278 A HA -0.231 4.088 4.320 -0.000 0.000 0.217 278 A C 2.530 180.082 177.584 -0.053 0.000 1.181 278 A CA 2.057 54.091 52.037 -0.004 0.000 0.623 278 A CB -0.972 18.034 19.000 0.011 0.000 0.818 278 A HN 0.501 nan 8.150 nan 0.000 0.443 279 S N -0.889 114.725 115.700 -0.143 0.000 2.377 279 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 279 S C 2.101 176.552 174.600 -0.247 0.000 1.030 279 S CA 1.796 59.863 58.200 -0.222 0.000 0.970 279 S CB -0.190 62.763 63.200 -0.412 0.000 0.830 279 S HN 0.526 nan 8.310 nan 0.000 0.473 280 K N 0.137 120.313 120.400 -0.374 0.000 2.076 280 K HA 0.158 4.477 4.320 -0.000 0.000 0.204 280 K C 0.996 177.231 176.600 -0.609 0.000 1.051 280 K CA 1.463 57.400 56.287 -0.583 0.000 0.949 280 K CB -0.428 31.522 32.500 -0.917 0.000 0.726 280 K HN 0.427 nan 8.250 nan 0.000 0.443 281 F N 0.951 120.844 119.950 -0.094 0.000 2.695 281 F HA 0.327 4.854 4.527 -0.000 0.000 0.303 281 F C 0.500 176.263 175.800 -0.061 0.000 1.091 281 F CA -0.463 57.495 58.000 -0.070 0.000 1.300 281 F CB -0.013 38.946 39.000 -0.069 0.000 1.071 281 F HN -0.115 nan 8.300 nan 0.000 0.578 282 R N 1.695 122.222 120.500 0.045 0.000 2.522 282 R HA -0.061 4.278 4.340 -0.000 0.000 0.284 282 R C 0.682 176.974 176.300 -0.012 0.000 1.032 282 R CA 0.279 56.395 56.100 0.027 0.000 1.049 282 R CB -0.010 30.306 30.300 0.028 0.000 0.956 282 R HN 0.184 nan 8.270 nan 0.000 0.422 283 N N 2.808 121.489 118.700 -0.031 0.000 2.721 283 N HA -0.286 4.454 4.740 -0.000 0.000 0.249 283 N C -0.278 175.189 175.510 -0.071 0.000 1.072 283 N CA 1.358 54.344 53.050 -0.107 0.000 0.710 283 N CB -1.079 37.249 38.487 -0.265 0.000 0.993 283 N HN 0.927 nan 8.380 nan 0.000 0.547 284 A N -1.912 120.914 122.820 0.009 0.000 2.799 284 A HA 0.041 4.361 4.320 -0.000 0.000 0.287 284 A C 2.057 179.649 177.584 0.014 0.000 1.484 284 A CA 1.873 53.950 52.037 0.066 0.000 0.813 284 A CB -1.883 17.149 19.000 0.054 0.000 1.009 284 A HN 2.174 nan 8.150 nan 0.000 0.545 285 G N -2.433 106.324 108.800 -0.073 0.000 2.148 285 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 285 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 285 G C 0.030 174.729 174.900 -0.334 0.000 0.981 285 G CA 0.766 45.757 45.100 -0.181 0.000 0.670 285 G HN 1.414 nan 8.290 nan 0.000 0.528 286 Q N 0.844 120.401 119.800 -0.404 0.000 3.135 286 Q HA 0.450 4.790 4.340 -0.000 0.000 0.344 286 Q C -0.245 175.071 176.000 -1.140 0.000 1.321 286 Q CA 0.155 55.436 55.803 -0.870 0.000 1.050 286 Q CB 0.665 29.273 28.738 -0.216 0.000 1.498 286 Q HN 0.250 nan 8.270 nan 0.000 0.503 287 T N -0.668 113.254 114.554 -1.053 0.000 2.933 287 T HA 0.097 4.446 4.350 -0.000 0.000 0.305 287 T C 0.910 175.535 174.700 -0.125 0.000 1.092 287 T CA -0.712 61.188 62.100 -0.332 0.000 1.008 287 T CB 1.098 69.969 68.868 0.004 0.000 1.102 287 T HN 0.647 nan 8.240 nan 0.000 0.469 288 C N 1.623 121.014 119.300 0.152 0.000 2.437 288 C HA 0.103 4.562 4.460 -0.000 0.000 0.283 288 C C 1.915 176.991 174.990 0.143 0.000 1.424 288 C CA 0.663 59.820 59.018 0.231 0.000 1.782 288 C CB -1.815 26.020 27.740 0.158 0.000 1.833 288 C HN 0.727 nan 8.230 nan 0.000 0.532 289 V N -2.743 117.247 119.914 0.128 0.000 3.427 289 V HA 0.340 4.460 4.120 -0.000 0.000 0.305 289 V C 0.884 177.128 176.094 0.251 0.000 1.412 289 V CA -0.610 61.801 62.300 0.186 0.000 1.086 289 V CB -1.987 29.959 31.823 0.205 0.000 0.964 289 V HN 0.539 nan 8.190 nan 0.000 0.439 290 C N 3.141 122.512 119.300 0.118 0.000 2.611 290 C HA 0.550 5.010 4.460 -0.000 0.000 0.416 290 C C 1.542 176.588 174.990 0.093 0.000 1.366 290 C CA 0.297 59.337 59.018 0.037 0.000 1.761 290 C CB -0.306 27.381 27.740 -0.088 0.000 2.619 290 C HN 0.808 nan 8.230 nan 0.000 0.606 291 A N 3.688 126.518 122.820 0.016 0.000 2.548 291 A HA 0.051 4.371 4.320 -0.000 0.000 0.247 291 A C 0.887 178.480 177.584 0.015 0.000 1.067 291 A CA 0.386 52.463 52.037 0.065 0.000 0.757 291 A CB -0.141 18.783 19.000 -0.126 0.000 0.996 291 A HN 1.009 nan 8.150 nan 0.000 0.504 292 N N 1.055 119.819 118.700 0.107 0.000 2.317 292 N HA 0.114 4.854 4.740 -0.000 0.000 0.199 292 N C 0.050 175.645 175.510 0.142 0.000 1.145 292 N CA 0.155 53.267 53.050 0.103 0.000 0.882 292 N CB 0.377 38.943 38.487 0.132 0.000 1.113 292 N HN 0.686 nan 8.380 nan 0.000 0.486 293 R N 0.589 121.185 120.500 0.161 0.000 2.514 293 R HA 0.356 4.696 4.340 -0.000 0.000 0.296 293 R C -1.704 174.669 176.300 0.121 0.000 1.012 293 R CA -0.721 55.463 56.100 0.141 0.000 0.897 293 R CB 1.679 31.948 30.300 -0.051 0.000 1.184 293 R HN -0.010 nan 8.270 nan 0.000 0.440 294 L N 4.537 125.851 121.223 0.151 0.000 2.272 294 L HA 0.361 4.700 4.340 -0.000 0.000 0.284 294 L C -0.947 175.994 176.870 0.117 0.000 1.045 294 L CA -0.259 54.678 54.840 0.160 0.000 0.842 294 L CB 0.262 42.383 42.059 0.102 0.000 1.224 294 L HN 0.466 nan 8.230 nan 0.000 0.430 295 Y N 2.797 123.250 120.300 0.255 0.000 2.367 295 Y HA 0.561 5.110 4.550 -0.000 0.000 0.342 295 Y C 0.088 176.146 175.900 0.264 0.000 0.979 295 Y CA -0.705 57.549 58.100 0.257 0.000 1.161 295 Y CB 1.233 39.683 38.460 -0.017 0.000 1.155 295 Y HN 0.189 nan 8.280 nan 0.000 0.503 296 V N 3.889 124.072 119.914 0.448 0.000 2.531 296 V HA 0.268 4.387 4.120 -0.000 0.000 0.301 296 V C -0.235 175.818 176.094 -0.067 0.000 1.034 296 V CA -1.349 61.035 62.300 0.139 0.000 0.865 296 V CB 1.591 33.331 31.823 -0.139 0.000 0.995 296 V HN 0.686 nan 8.190 nan 0.000 0.424 297 Q N 2.126 121.598 119.800 -0.547 0.000 2.395 297 Q HA 0.025 4.365 4.340 -0.000 0.000 0.271 297 Q C 0.810 176.589 176.000 -0.368 0.000 1.026 297 Q CA -0.108 55.049 55.803 -1.077 0.000 0.900 297 Q CB 0.730 28.985 28.738 -0.806 0.000 1.266 297 Q HN 0.758 nan 8.270 nan 0.000 0.430 298 D N 2.802 123.002 120.400 -0.333 0.000 2.157 298 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 298 D C 1.441 177.725 176.300 -0.027 0.000 1.004 298 D CA 1.814 55.739 54.000 -0.124 0.000 0.854 298 D CB -0.333 40.400 40.800 -0.110 0.000 0.936 298 D HN 0.873 nan 8.370 nan 0.000 0.446 299 G N 0.111 108.888 108.800 -0.038 0.000 2.448 299 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 299 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 299 G C 1.495 176.425 174.900 0.051 0.000 1.127 299 G CA 1.363 46.472 45.100 0.015 0.000 0.766 299 G HN 0.399 nan 8.290 nan 0.000 0.552 300 V N -3.788 116.162 119.914 0.059 0.000 3.432 300 V HA 0.382 4.501 4.120 -0.000 0.000 0.298 300 V C 1.704 177.882 176.094 0.140 0.000 1.464 300 V CA -0.272 62.087 62.300 0.097 0.000 1.046 300 V CB -0.743 31.139 31.823 0.098 0.000 0.887 300 V HN 0.194 nan 8.190 nan 0.000 0.441 301 Y N 2.494 122.805 120.300 0.019 0.000 2.053 301 Y HA -0.236 4.314 4.550 -0.001 0.000 0.277 301 Y C 2.239 178.204 175.900 0.109 0.000 1.159 301 Y CA 2.665 60.796 58.100 0.051 0.000 1.125 301 Y CB -0.113 38.351 38.460 0.007 0.000 0.969 301 Y HN 0.303 nan 8.280 nan 0.000 0.492 302 D N -0.363 120.168 120.400 0.218 0.000 2.097 302 D HA -0.161 4.478 4.640 -0.000 0.000 0.195 302 D C 2.330 178.651 176.300 0.034 0.000 0.989 302 D CA 1.431 55.505 54.000 0.124 0.000 0.827 302 D CB -0.346 40.541 40.800 0.144 0.000 0.966 302 D HN 0.401 nan 8.370 nan 0.000 0.456 303 R N -0.285 120.251 120.500 0.061 0.000 2.091 303 R HA -0.128 4.211 4.340 -0.000 0.000 0.238 303 R C 2.376 178.690 176.300 0.024 0.000 1.136 303 R CA 0.772 56.896 56.100 0.040 0.000 0.959 303 R CB -0.581 29.757 30.300 0.063 0.000 0.856 303 R HN 0.214 nan 8.270 nan 0.000 0.437 304 F N 1.392 121.290 119.950 -0.086 0.000 2.102 304 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 304 F C 2.338 178.043 175.800 -0.159 0.000 1.105 304 F CA 1.527 59.461 58.000 -0.110 0.000 1.239 304 F CB -0.301 38.636 39.000 -0.104 0.000 0.991 304 F HN -0.008 nan 8.300 nan 0.000 0.474 305 A N -0.174 122.591 122.820 -0.091 0.000 1.908 305 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 305 A C 2.049 179.521 177.584 -0.188 0.000 1.181 305 A CA 1.947 53.871 52.037 -0.188 0.000 0.627 305 A CB -1.339 17.503 19.000 -0.264 0.000 0.818 305 A HN 0.420 nan 8.150 nan 0.000 0.445 306 E N -0.116 120.001 120.200 -0.138 0.000 2.051 306 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 306 E C 2.157 178.664 176.600 -0.154 0.000 0.991 306 E CA 1.827 58.160 56.400 -0.112 0.000 0.799 306 E CB -0.374 29.287 29.700 -0.066 0.000 0.748 306 E HN 0.763 nan 8.360 nan 0.000 0.449 307 K N -0.370 119.907 120.400 -0.205 0.000 2.057 307 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 307 K C 2.321 178.734 176.600 -0.311 0.000 1.050 307 K CA 1.309 57.455 56.287 -0.236 0.000 0.935 307 K CB -0.404 31.948 32.500 -0.247 0.000 0.715 307 K HN 0.176 nan 8.250 nan 0.000 0.439 308 L N 1.842 122.781 121.223 -0.473 0.000 2.042 308 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 308 L C 2.376 179.102 176.870 -0.240 0.000 1.076 308 L CA 1.773 56.353 54.840 -0.434 0.000 0.749 308 L CB -0.464 41.269 42.059 -0.542 0.000 0.893 308 L HN 0.207 nan 8.230 nan 0.000 0.432 309 Q N -1.493 118.189 119.800 -0.196 0.000 2.124 309 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 309 Q C 2.218 178.141 176.000 -0.127 0.000 0.977 309 Q CA 2.020 57.742 55.803 -0.134 0.000 0.850 309 Q CB 0.058 28.734 28.738 -0.103 0.000 0.901 309 Q HN 0.600 nan 8.270 nan 0.000 0.429 310 Q N -0.724 118.998 119.800 -0.130 0.000 2.050 310 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 310 Q C 2.130 178.057 176.000 -0.121 0.000 0.980 310 Q CA 1.287 57.024 55.803 -0.110 0.000 0.840 310 Q CB -0.670 28.008 28.738 -0.100 0.000 0.898 310 Q HN 0.670 nan 8.270 nan 0.000 0.424 311 A N 0.016 122.748 122.820 -0.147 0.000 1.969 311 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 311 A C 2.130 179.609 177.584 -0.175 0.000 1.169 311 A CA 1.675 53.623 52.037 -0.150 0.000 0.635 311 A CB -0.506 18.398 19.000 -0.160 0.000 0.810 311 A HN 0.532 nan 8.150 nan 0.000 0.445 312 M N 0.289 119.774 119.600 -0.192 0.000 2.374 312 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 312 M C 2.360 178.525 176.300 -0.224 0.000 1.067 312 M CA 1.400 56.546 55.300 -0.258 0.000 1.103 312 M CB -0.229 32.218 32.600 -0.255 0.000 1.402 312 M HN 0.665 nan 8.290 nan 0.000 0.444 313 S N 0.680 116.286 115.700 -0.156 0.000 2.419 313 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 313 S C 1.393 175.929 174.600 -0.107 0.000 1.016 313 S CA 0.894 59.030 58.200 -0.108 0.000 0.974 313 S CB -0.307 62.849 63.200 -0.073 0.000 0.786 313 S HN 0.479 nan 8.310 nan 0.000 0.492 314 K N 0.941 121.240 120.400 -0.168 0.000 2.577 314 K HA 0.369 4.689 4.320 -0.000 0.000 0.210 314 K C -0.645 175.629 176.600 -0.543 0.000 1.048 314 K CA -0.151 55.987 56.287 -0.248 0.000 1.188 314 K CB 0.024 32.430 32.500 -0.156 0.000 0.910 314 K HN 0.388 nan 8.250 nan 0.000 0.483 315 L N 1.153 122.106 121.223 -0.449 0.000 2.307 315 L HA 0.288 4.628 4.340 -0.000 0.000 0.282 315 L C -0.290 176.361 176.870 -0.365 0.000 1.051 315 L CA -0.654 53.917 54.840 -0.448 0.000 0.804 315 L CB 0.842 42.689 42.059 -0.354 0.000 1.197 315 L HN 0.232 nan 8.230 nan 0.000 0.431 316 H N 3.299 122.323 119.070 -0.077 0.000 2.539 316 H HA 0.431 4.986 4.556 -0.000 0.000 0.332 316 H C -0.798 174.490 175.328 -0.065 0.000 1.031 316 H CA -0.868 55.141 56.048 -0.065 0.000 1.206 316 H CB 1.701 31.430 29.762 -0.054 0.000 1.446 316 H HN 0.361 nan 8.280 nan 0.000 0.496 317 I N 2.615 123.200 120.570 0.025 0.000 2.428 317 I HA 0.518 4.688 4.170 -0.000 0.000 0.289 317 I C 1.020 177.034 176.117 -0.171 0.000 1.019 317 I CA 0.665 61.914 61.300 -0.084 0.000 1.351 317 I CB 1.264 39.114 38.000 -0.249 0.000 1.412 317 I HN 0.895 nan 8.210 nan 0.000 0.513 318 G N 3.941 112.690 108.800 -0.084 0.000 2.323 318 G HA2 0.076 4.036 3.960 -0.000 0.000 0.291 318 G HA3 0.076 4.036 3.960 -0.000 0.000 0.291 318 G C -1.717 173.282 174.900 0.164 0.000 1.278 318 G CA -0.848 44.160 45.100 -0.154 0.000 0.860 318 G HN 0.489 nan 8.290 nan 0.000 0.504 319 D N 0.529 120.991 120.400 0.104 0.000 2.450 319 D HA 0.305 4.945 4.640 -0.000 0.000 0.247 319 D C 1.716 178.075 176.300 0.099 0.000 1.162 319 D CA 0.816 54.913 54.000 0.162 0.000 0.879 319 D CB 1.169 42.023 40.800 0.089 0.000 1.163 319 D HN 0.668 nan 8.370 nan 0.000 0.472 320 G N 3.527 112.384 108.800 0.095 0.000 2.535 320 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.218 320 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.218 320 G C 1.560 176.484 174.900 0.039 0.000 1.122 320 G CA 0.185 45.320 45.100 0.059 0.000 0.769 320 G HN 0.592 nan 8.290 nan 0.000 0.549 321 L N -0.023 121.221 121.223 0.035 0.000 2.509 321 L HA 0.181 4.520 4.340 -0.000 0.000 0.222 321 L C 0.150 177.029 176.870 0.015 0.000 1.123 321 L CA -0.139 54.713 54.840 0.020 0.000 0.856 321 L CB 0.021 42.087 42.059 0.013 0.000 0.985 321 L HN 0.021 nan 8.230 nan 0.000 0.456 322 D N 0.169 120.579 120.400 0.017 0.000 2.264 322 D HA 0.119 4.759 4.640 -0.000 0.000 0.249 322 D C -0.013 176.292 176.300 0.008 0.000 1.070 322 D CA -0.329 53.674 54.000 0.005 0.000 0.912 322 D CB 0.650 41.447 40.800 -0.005 0.000 1.193 322 D HN -0.102 nan 8.370 nan 0.000 0.427 323 N N 0.364 119.064 118.700 0.000 0.000 2.411 323 N HA 0.200 4.940 4.740 -0.000 0.000 0.261 323 N C 1.355 176.873 175.510 0.013 0.000 1.248 323 N CA 0.788 53.840 53.050 0.004 0.000 0.885 323 N CB 0.898 39.382 38.487 -0.005 0.000 1.062 323 N HN 0.691 nan 8.380 nan 0.000 0.471 324 G N 0.531 109.353 108.800 0.035 0.000 2.179 324 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.260 324 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.260 324 G C 0.110 175.084 174.900 0.124 0.000 0.977 324 G CA 0.126 45.274 45.100 0.081 0.000 0.641 324 G HN 0.505 nan 8.290 nan 0.000 0.533 325 V N 1.854 121.813 119.914 0.074 0.000 2.529 325 V HA 0.439 4.559 4.120 -0.000 0.000 0.292 325 V C 1.625 177.750 176.094 0.051 0.000 1.028 325 V CA 1.482 63.826 62.300 0.073 0.000 1.074 325 V CB 1.255 33.108 31.823 0.050 0.000 0.958 325 V HN 0.773 nan 8.190 nan 0.000 0.481 326 T N 1.593 116.166 114.554 0.031 0.000 3.004 326 T HA 0.380 4.729 4.350 -0.000 0.000 0.266 326 T C 0.135 174.837 174.700 0.002 0.000 0.986 326 T CA -0.051 62.045 62.100 -0.007 0.000 0.902 326 T CB 0.373 69.200 68.868 -0.069 0.000 1.118 326 T HN 0.260 nan 8.240 nan 0.000 0.522 327 I N 2.449 123.032 120.570 0.021 0.000 2.468 327 I HA 0.565 4.735 4.170 -0.000 0.000 0.285 327 I C 0.809 176.986 176.117 0.099 0.000 1.039 327 I CA -0.819 60.511 61.300 0.050 0.000 1.074 327 I CB 1.086 39.108 38.000 0.038 0.000 1.228 327 I HN 0.242 nan 8.210 nan 0.000 0.436 328 G N 7.682 116.532 108.800 0.084 0.000 2.525 328 G HA2 0.596 4.556 3.960 -0.000 0.000 0.287 328 G HA3 0.596 4.556 3.960 -0.000 0.000 0.287 328 G C -2.634 172.258 174.900 -0.014 0.000 1.350 328 G CA -0.831 44.325 45.100 0.094 0.000 1.039 328 G HN 0.361 nan 8.290 nan 0.000 0.513 329 P HA 0.272 nan 4.420 nan 0.000 0.276 329 P C -0.025 177.097 177.300 -0.297 0.000 1.252 329 P CA -0.427 62.258 63.100 -0.691 0.000 0.802 329 P CB 1.123 32.119 31.700 -1.174 0.000 1.035 330 L N 1.157 122.240 121.223 -0.233 0.000 2.475 330 L HA 0.142 4.482 4.340 -0.000 0.000 0.253 330 L C 2.255 178.985 176.870 -0.233 0.000 1.198 330 L CA -0.522 54.227 54.840 -0.151 0.000 0.814 330 L CB -0.158 41.843 42.059 -0.096 0.000 1.134 330 L HN 0.269 nan 8.230 nan 0.000 0.478 331 I N 0.049 120.432 120.570 -0.312 0.000 2.361 331 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 331 I C 0.385 176.279 176.117 -0.371 0.000 1.133 331 I CA 1.503 62.524 61.300 -0.465 0.000 1.413 331 I CB -0.235 37.119 38.000 -1.076 0.000 1.073 331 I HN 0.891 nan 8.210 nan 0.000 0.424 332 D N -2.848 117.369 120.400 -0.306 0.000 2.738 332 D HA 0.244 4.883 4.640 -0.000 0.000 0.308 332 D C 0.771 176.986 176.300 -0.142 0.000 1.311 332 D CA 0.196 54.068 54.000 -0.213 0.000 0.799 332 D CB 0.263 40.928 40.800 -0.225 0.000 1.332 332 D HN -0.166 nan 8.370 nan 0.000 0.441 333 E N 0.119 120.263 120.200 -0.094 0.000 2.097 333 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 333 E C 1.824 178.394 176.600 -0.051 0.000 1.000 333 E CA 2.451 58.822 56.400 -0.049 0.000 0.804 333 E CB -0.856 28.828 29.700 -0.028 0.000 0.740 333 E HN 0.344 nan 8.360 nan 0.000 0.454 334 K N -0.685 119.674 120.400 -0.069 0.000 2.147 334 K HA 0.141 4.461 4.320 -0.000 0.000 0.205 334 K C 2.610 179.170 176.600 -0.067 0.000 1.049 334 K CA 1.055 57.307 56.287 -0.058 0.000 0.936 334 K CB -0.746 31.719 32.500 -0.058 0.000 0.722 334 K HN 0.700 nan 8.250 nan 0.000 0.446 335 A N 0.294 123.059 122.820 -0.092 0.000 1.898 335 A HA -0.075 4.244 4.320 -0.000 0.000 0.216 335 A C 2.396 179.912 177.584 -0.114 0.000 1.181 335 A CA 1.705 53.693 52.037 -0.081 0.000 0.620 335 A CB -0.642 18.303 19.000 -0.091 0.000 0.819 335 A HN 0.239 nan 8.150 nan 0.000 0.442 336 V N 0.018 119.874 119.914 -0.096 0.000 2.332 336 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 336 V C 3.067 179.099 176.094 -0.104 0.000 1.055 336 V CA 1.999 64.244 62.300 -0.092 0.000 1.038 336 V CB -1.234 30.620 31.823 0.051 0.000 0.651 336 V HN 0.616 nan 8.190 nan 0.000 0.450 337 A N -0.196 122.594 122.820 -0.050 0.000 1.940 337 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 337 A C 2.311 179.860 177.584 -0.060 0.000 1.176 337 A CA 2.331 54.352 52.037 -0.027 0.000 0.631 337 A CB -0.478 18.517 19.000 -0.009 0.000 0.814 337 A HN 0.570 nan 8.150 nan 0.000 0.446 338 K N -0.378 119.957 120.400 -0.107 0.000 2.097 338 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 338 K C 1.668 178.105 176.600 -0.271 0.000 1.050 338 K CA 1.399 57.588 56.287 -0.163 0.000 0.938 338 K CB -0.212 32.178 32.500 -0.184 0.000 0.718 338 K HN 0.205 nan 8.250 nan 0.000 0.442 339 V N 1.715 121.441 119.914 -0.314 0.000 2.407 339 V HA -0.215 3.904 4.120 -0.000 0.000 0.248 339 V C 1.944 177.903 176.094 -0.224 0.000 1.055 339 V CA 1.973 64.039 62.300 -0.390 0.000 1.049 339 V CB -0.457 30.905 31.823 -0.769 0.000 0.662 339 V HN 0.385 nan 8.190 nan 0.000 0.455 340 E N -0.148 119.968 120.200 -0.140 0.000 2.072 340 E HA -0.228 4.121 4.350 -0.000 0.000 0.191 340 E C 2.307 178.960 176.600 0.089 0.000 0.985 340 E CA 1.120 57.559 56.400 0.064 0.000 0.801 340 E CB -0.126 29.648 29.700 0.124 0.000 0.750 340 E HN 0.660 nan 8.360 nan 0.000 0.452 341 E N 0.650 120.891 120.200 0.068 0.000 2.110 341 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 341 E C 1.855 178.576 176.600 0.203 0.000 0.988 341 E CA 1.052 57.523 56.400 0.119 0.000 0.804 341 E CB -0.019 29.749 29.700 0.114 0.000 0.745 341 E HN 0.483 nan 8.360 nan 0.000 0.458 342 H N -0.288 118.799 119.070 0.028 0.000 2.353 342 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 342 H C 2.326 177.686 175.328 0.053 0.000 1.090 342 H CA 1.149 57.222 56.048 0.043 0.000 1.327 342 H CB 0.166 29.950 29.762 0.036 0.000 1.383 342 H HN 0.217 nan 8.280 nan 0.000 0.508 343 I N 0.530 121.211 120.570 0.186 0.000 2.193 343 I HA -0.208 3.961 4.170 -0.000 0.000 0.240 343 I C 2.886 179.069 176.117 0.111 0.000 1.084 343 I CA 0.773 62.160 61.300 0.145 0.000 1.365 343 I CB -0.276 37.831 38.000 0.179 0.000 1.064 343 I HN 0.208 nan 8.210 nan 0.000 0.410 344 A N 0.696 123.582 122.820 0.110 0.000 1.873 344 A HA -0.365 3.954 4.320 -0.000 0.000 0.218 344 A C 1.992 179.618 177.584 0.069 0.000 1.193 344 A CA 2.651 54.739 52.037 0.085 0.000 0.629 344 A CB -1.047 18.003 19.000 0.083 0.000 0.826 344 A HN 0.530 nan 8.150 nan 0.000 0.447 345 D N -0.649 119.795 120.400 0.073 0.000 2.123 345 D HA -0.054 4.585 4.640 -0.000 0.000 0.196 345 D C 2.001 178.325 176.300 0.040 0.000 0.992 345 D CA 1.789 55.820 54.000 0.051 0.000 0.833 345 D CB -0.187 40.638 40.800 0.041 0.000 0.954 345 D HN 0.381 nan 8.370 nan 0.000 0.455 346 A N -0.166 122.680 122.820 0.044 0.000 1.877 346 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 346 A C 2.104 179.708 177.584 0.033 0.000 1.186 346 A CA 1.142 53.200 52.037 0.035 0.000 0.620 346 A CB -0.853 18.168 19.000 0.036 0.000 0.822 346 A HN 0.321 nan 8.150 nan 0.000 0.443 347 L N 0.442 121.690 121.223 0.041 0.000 2.046 347 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 347 L C 2.551 179.440 176.870 0.032 0.000 1.077 347 L CA 2.416 57.277 54.840 0.036 0.000 0.747 347 L CB -0.986 41.099 42.059 0.043 0.000 0.896 347 L HN 0.772 nan 8.230 nan 0.000 0.432 348 E N -0.411 119.810 120.200 0.034 0.000 2.338 348 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 348 E C 1.346 177.962 176.600 0.027 0.000 1.007 348 E CA 1.116 57.534 56.400 0.030 0.000 0.849 348 E CB -0.140 29.579 29.700 0.032 0.000 0.774 348 E HN 0.394 nan 8.360 nan 0.000 0.506 349 K N -0.254 120.163 120.400 0.028 0.000 2.437 349 K HA 0.209 4.529 4.320 -0.000 0.000 0.205 349 K C 0.525 177.140 176.600 0.025 0.000 1.026 349 K CA 0.341 56.645 56.287 0.028 0.000 1.153 349 K CB 1.006 33.525 32.500 0.032 0.000 0.863 349 K HN 0.312 nan 8.250 nan 0.000 0.502 350 G N 0.759 109.572 108.800 0.022 0.000 2.159 350 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.227 350 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.227 350 G C 0.236 175.144 174.900 0.012 0.000 0.986 350 G CA -0.091 45.019 45.100 0.017 0.000 0.651 350 G HN 0.433 nan 8.290 nan 0.000 0.523 351 A N -0.269 122.558 122.820 0.012 0.000 2.346 351 A HA 0.804 5.124 4.320 -0.000 0.000 0.252 351 A C 0.614 178.203 177.584 0.009 0.000 1.089 351 A CA 0.717 52.755 52.037 0.001 0.000 0.797 351 A CB 0.523 19.521 19.000 -0.004 0.000 1.047 351 A HN 0.949 nan 8.150 nan 0.000 0.494 352 R N 0.707 121.209 120.500 0.004 0.000 2.575 352 R HA 0.536 4.876 4.340 -0.000 0.000 0.293 352 R C -1.847 174.462 176.300 0.016 0.000 0.983 352 R CA -0.545 55.562 56.100 0.013 0.000 0.887 352 R CB 1.714 32.022 30.300 0.013 0.000 1.184 352 R HN 0.495 nan 8.270 nan 0.000 0.445 353 V N 5.508 125.436 119.914 0.023 0.000 2.455 353 V HA 0.063 4.183 4.120 -0.000 0.000 0.273 353 V C 1.185 177.290 176.094 0.019 0.000 1.045 353 V CA -0.146 62.171 62.300 0.029 0.000 0.976 353 V CB 1.335 33.180 31.823 0.036 0.000 0.993 353 V HN 0.748 nan 8.190 nan 0.000 0.475 354 V N 4.255 124.180 119.914 0.017 0.000 2.302 354 V HA -0.051 4.069 4.120 -0.000 0.000 0.243 354 V C 0.868 176.962 176.094 -0.001 0.000 1.036 354 V CA 1.685 63.989 62.300 0.007 0.000 1.020 354 V CB 0.316 32.140 31.823 0.002 0.000 0.657 354 V HN 1.053 nan 8.190 nan 0.000 0.453 355 C N -2.626 116.676 119.300 0.004 0.000 3.291 355 C HA 0.870 5.329 4.460 -0.000 0.000 0.316 355 C C 0.683 175.677 174.990 0.007 0.000 1.391 355 C CA -0.411 58.603 59.018 -0.007 0.000 1.394 355 C CB 0.941 28.665 27.740 -0.026 0.000 1.744 355 C HN 1.202 nan 8.230 nan 0.000 0.461 356 G N 0.600 109.391 108.800 -0.015 0.000 2.528 356 G HA2 0.347 4.306 3.960 -0.000 0.000 0.262 356 G HA3 0.347 4.306 3.960 -0.000 0.000 0.262 356 G C 1.095 175.986 174.900 -0.016 0.000 1.200 356 G CA 1.930 47.018 45.100 -0.020 0.000 0.951 356 G HN 3.227 nan 8.290 nan 0.000 0.566 357 G N -3.070 105.740 108.800 0.016 0.000 2.179 357 G HA2 0.226 4.185 3.960 -0.000 0.000 0.220 357 G HA3 0.226 4.185 3.960 -0.000 0.000 0.220 357 G C 0.258 175.159 174.900 0.001 0.000 0.990 357 G CA 1.447 46.601 45.100 0.090 0.000 0.646 357 G HN 1.656 nan 8.290 nan 0.000 0.517 358 K N -0.712 119.517 120.400 -0.284 0.000 2.444 358 K HA 0.908 5.228 4.320 -0.000 0.000 0.252 358 K C 0.523 176.601 176.600 -0.870 0.000 0.993 358 K CA -0.123 55.952 56.287 -0.354 0.000 0.847 358 K CB 1.585 33.972 32.500 -0.188 0.000 1.340 358 K HN 1.660 nan 8.250 nan 0.000 0.446 359 A N 1.154 123.657 122.820 -0.529 0.000 2.520 359 A HA 0.119 4.439 4.320 -0.000 0.000 0.235 359 A C 0.391 177.812 177.584 -0.272 0.000 1.065 359 A CA 0.189 51.994 52.037 -0.386 0.000 0.764 359 A CB -0.346 18.663 19.000 0.014 0.000 1.002 359 A HN 0.799 nan 8.150 nan 0.000 0.502 360 H N 0.524 119.473 119.070 -0.202 0.000 2.771 360 H HA -0.015 4.541 4.556 -0.000 0.000 0.364 360 H C 1.299 176.588 175.328 -0.065 0.000 1.133 360 H CA 1.087 57.072 56.048 -0.106 0.000 1.423 360 H CB 0.637 30.400 29.762 0.000 0.000 1.425 360 H HN 0.978 nan 8.280 nan 0.000 0.606 361 E N 3.492 123.401 120.200 -0.485 0.000 2.147 361 E HA -0.249 4.100 4.350 -0.000 0.000 0.199 361 E C 1.807 178.400 176.600 -0.012 0.000 1.005 361 E CA 1.213 57.461 56.400 -0.253 0.000 0.810 361 E CB 0.117 29.584 29.700 -0.388 0.000 0.736 361 E HN 0.643 nan 8.360 nan 0.000 0.460 362 R N -0.095 120.524 120.500 0.198 0.000 2.152 362 R HA -0.032 4.307 4.340 -0.000 0.000 0.232 362 R C 1.469 177.864 176.300 0.158 0.000 1.117 362 R CA 0.622 56.788 56.100 0.110 0.000 0.981 362 R CB -0.385 29.842 30.300 -0.122 0.000 0.870 362 R HN 0.371 nan 8.270 nan 0.000 0.451 363 G N -1.103 107.820 108.800 0.205 0.000 2.553 363 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.242 363 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.242 363 G C 0.598 175.650 174.900 0.253 0.000 1.277 363 G CA -0.313 44.898 45.100 0.184 0.000 0.910 363 G HN 0.675 nan 8.290 nan 0.000 0.576 364 G N -0.378 108.519 108.800 0.163 0.000 2.665 364 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.326 364 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.326 364 G C 0.875 175.821 174.900 0.077 0.000 1.231 364 G CA 1.320 46.488 45.100 0.114 0.000 0.992 364 G HN 1.874 nan 8.290 nan 0.000 0.549 365 N N 0.754 119.439 118.700 -0.025 0.000 2.203 365 N HA 0.269 5.009 4.740 -0.000 0.000 0.207 365 N C -0.040 175.383 175.510 -0.145 0.000 1.130 365 N CA 0.114 53.090 53.050 -0.125 0.000 0.861 365 N CB 0.228 38.567 38.487 -0.247 0.000 1.005 365 N HN 0.329 nan 8.380 nan 0.000 0.507 366 F N 0.421 120.423 119.950 0.087 0.000 2.410 366 F HA 0.365 4.891 4.527 -0.000 0.000 0.348 366 F C 0.142 176.070 175.800 0.212 0.000 1.106 366 F CA -0.626 57.426 58.000 0.088 0.000 1.163 366 F CB 0.688 39.680 39.000 -0.014 0.000 1.129 366 F HN -0.169 nan 8.300 nan 0.000 0.516 367 F N 2.020 122.112 119.950 0.237 0.000 2.578 367 F HA 0.368 4.895 4.527 -0.000 0.000 0.311 367 F C -0.445 175.471 175.800 0.193 0.000 1.094 367 F CA -0.863 57.251 58.000 0.190 0.000 0.923 367 F CB 1.596 40.665 39.000 0.116 0.000 1.230 367 F HN 0.386 nan 8.300 nan 0.000 0.450 368 Q N 5.639 125.339 119.800 -0.167 0.000 2.311 368 Q HA 0.212 4.551 4.340 -0.000 0.000 0.272 368 Q C -2.287 173.825 176.000 0.187 0.000 1.012 368 Q CA -1.615 54.191 55.803 0.004 0.000 0.891 368 Q CB 0.497 29.148 28.738 -0.145 0.000 1.201 368 Q HN 0.231 nan 8.270 nan 0.000 0.391 369 P HA -0.056 nan 4.420 nan 0.000 0.262 369 P C -1.117 176.269 177.300 0.143 0.000 1.182 369 P CA 0.439 63.613 63.100 0.123 0.000 0.761 369 P CB 0.652 32.186 31.700 -0.276 0.000 0.795 370 T N 4.268 118.990 114.554 0.280 0.000 2.879 370 T HA 0.534 4.884 4.350 -0.000 0.000 0.290 370 T C -0.015 174.800 174.700 0.193 0.000 0.993 370 T CA -0.367 61.861 62.100 0.214 0.000 0.975 370 T CB 0.674 69.706 68.868 0.273 0.000 0.981 370 T HN 0.153 nan 8.240 nan 0.000 0.439 371 I N 3.550 124.189 120.570 0.115 0.000 2.354 371 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 371 I C -0.552 175.592 176.117 0.045 0.000 0.989 371 I CA -0.758 60.587 61.300 0.076 0.000 1.188 371 I CB 1.224 39.247 38.000 0.040 0.000 1.342 371 I HN 0.331 nan 8.210 nan 0.000 0.457 372 L N 7.190 128.424 121.223 0.018 0.000 2.329 372 L HA 0.673 5.013 4.340 -0.000 0.000 0.279 372 L C -0.176 176.657 176.870 -0.062 0.000 1.014 372 L CA -0.848 53.984 54.840 -0.012 0.000 0.814 372 L CB 1.935 43.984 42.059 -0.017 0.000 1.257 372 L HN 0.408 nan 8.230 nan 0.000 0.424 373 V N -1.877 118.013 119.914 -0.040 0.000 3.181 373 V HA 0.579 4.699 4.120 -0.000 0.000 0.314 373 V C -0.481 175.578 176.094 -0.060 0.000 1.173 373 V CA -0.839 61.440 62.300 -0.036 0.000 1.052 373 V CB 1.788 33.653 31.823 0.070 0.000 1.123 373 V HN 0.832 nan 8.190 nan 0.000 0.454 374 D N -0.362 120.004 120.400 -0.058 0.000 2.689 374 D HA -0.132 4.508 4.640 -0.000 0.000 0.237 374 D C -0.128 176.131 176.300 -0.068 0.000 1.148 374 D CA 0.896 54.864 54.000 -0.052 0.000 0.656 374 D CB -1.218 39.571 40.800 -0.018 0.000 1.050 374 D HN 0.645 nan 8.370 nan 0.000 0.426 375 V N 1.410 121.226 119.914 -0.164 0.000 2.385 375 V HA 0.274 4.394 4.120 -0.000 0.000 0.269 375 V C -1.258 174.872 176.094 0.059 0.000 1.043 375 V CA -1.221 61.003 62.300 -0.125 0.000 0.906 375 V CB 1.152 32.771 31.823 -0.340 0.000 0.995 375 V HN 0.037 nan 8.190 nan 0.000 0.467 376 P HA 0.178 nan 4.420 nan 0.000 0.271 376 P C 0.564 177.998 177.300 0.222 0.000 1.218 376 P CA -0.284 62.905 63.100 0.148 0.000 0.780 376 P CB 1.300 33.053 31.700 0.087 0.000 0.901 377 A N 2.903 125.848 122.820 0.208 0.000 2.178 377 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 377 A C 1.566 179.212 177.584 0.103 0.000 1.157 377 A CA 1.278 53.411 52.037 0.161 0.000 0.689 377 A CB -1.066 17.998 19.000 0.107 0.000 0.787 377 A HN 0.725 nan 8.150 nan 0.000 0.465 378 N N 0.255 119.008 118.700 0.089 0.000 2.336 378 N HA 0.229 4.969 4.740 -0.000 0.000 0.189 378 N C 0.431 175.973 175.510 0.052 0.000 1.113 378 N CA 0.620 53.705 53.050 0.059 0.000 0.858 378 N CB -0.378 38.136 38.487 0.045 0.000 0.970 378 N HN 0.275 nan 8.380 nan 0.000 0.471 379 A N 1.348 124.211 122.820 0.072 0.000 2.462 379 A HA 0.160 4.480 4.320 -0.000 0.000 0.243 379 A C 1.185 178.765 177.584 -0.006 0.000 1.076 379 A CA -0.373 51.688 52.037 0.041 0.000 0.773 379 A CB 0.412 19.452 19.000 0.067 0.000 1.010 379 A HN 0.268 nan 8.150 nan 0.000 0.493 380 K N 1.293 121.644 120.400 -0.082 0.000 2.113 380 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 380 K C 1.666 178.051 176.600 -0.358 0.000 1.047 380 K CA 1.672 57.835 56.287 -0.206 0.000 0.928 380 K CB -0.234 32.098 32.500 -0.280 0.000 0.716 380 K HN 0.559 nan 8.250 nan 0.000 0.446 381 V N 1.094 120.808 119.914 -0.333 0.000 2.809 381 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 381 V C 1.859 178.003 176.094 0.083 0.000 1.080 381 V CA 2.141 64.335 62.300 -0.177 0.000 1.102 381 V CB -0.124 31.711 31.823 0.019 0.000 0.705 381 V HN 0.415 nan 8.190 nan 0.000 0.475 382 S N -1.612 114.164 115.700 0.126 0.000 2.558 382 S HA 0.097 4.567 4.470 -0.000 0.000 0.217 382 S C 1.670 176.334 174.600 0.106 0.000 0.975 382 S CA 0.143 58.434 58.200 0.152 0.000 0.912 382 S CB -0.022 63.288 63.200 0.183 0.000 0.776 382 S HN 0.599 nan 8.310 nan 0.000 0.526 383 K N 0.476 120.936 120.400 0.101 0.000 2.436 383 K HA 0.348 4.668 4.320 -0.000 0.000 0.198 383 K C 0.074 176.818 176.600 0.239 0.000 1.174 383 K CA 0.362 56.729 56.287 0.134 0.000 0.951 383 K CB 0.679 33.223 32.500 0.074 0.000 1.040 383 K HN 0.498 nan 8.250 nan 0.000 0.536 384 E N 1.261 121.584 120.200 0.205 0.000 2.235 384 E HA 0.179 4.529 4.350 -0.000 0.000 0.265 384 E C -1.041 175.738 176.600 0.298 0.000 0.940 384 E CA -0.542 56.033 56.400 0.293 0.000 0.819 384 E CB 2.046 31.900 29.700 0.258 0.000 1.206 384 E HN -0.006 nan 8.360 nan 0.000 0.409 385 E N 0.665 120.996 120.200 0.218 0.000 2.299 385 E HA 0.013 4.363 4.350 -0.000 0.000 0.272 385 E C -0.011 176.730 176.600 0.235 0.000 1.043 385 E CA 0.171 56.653 56.400 0.137 0.000 0.895 385 E CB 0.648 30.332 29.700 -0.027 0.000 1.011 385 E HN 0.428 nan 8.360 nan 0.000 0.432 386 T N 4.251 118.962 114.554 0.261 0.000 2.852 386 T HA -0.055 4.294 4.350 -0.000 0.000 0.256 386 T C 0.157 174.952 174.700 0.159 0.000 1.038 386 T CA 0.052 62.231 62.100 0.132 0.000 1.141 386 T CB -0.162 68.814 68.868 0.180 0.000 0.869 386 T HN 0.652 nan 8.240 nan 0.000 0.439 387 F N 1.349 121.290 119.950 -0.016 0.000 3.027 387 F HA -0.036 4.491 4.527 -0.001 0.000 0.276 387 F C 0.721 176.516 175.800 -0.007 0.000 0.967 387 F CA 0.687 58.695 58.000 0.013 0.000 0.929 387 F CB -1.328 37.714 39.000 0.070 0.000 0.873 387 F HN 0.354 nan 8.300 nan 0.000 0.787 388 G N -0.804 108.005 108.800 0.015 0.000 2.608 388 G HA2 0.612 4.571 3.960 -0.000 0.000 0.291 388 G HA3 0.612 4.571 3.960 -0.000 0.000 0.291 388 G C -3.173 171.724 174.900 -0.004 0.000 1.425 388 G CA -0.925 44.159 45.100 -0.027 0.000 0.787 388 G HN -0.230 nan 8.290 nan 0.000 0.484 389 P HA 0.305 nan 4.420 nan 0.000 0.218 389 P C -0.665 176.830 177.300 0.325 0.000 1.793 389 P CA -0.244 63.028 63.100 0.288 0.000 0.941 389 P CB 0.148 32.126 31.700 0.463 0.000 1.919 390 L N 0.708 121.988 121.223 0.094 0.000 2.342 390 L HA 0.716 5.055 4.340 -0.000 0.000 0.276 390 L C -0.645 176.240 176.870 0.025 0.000 0.997 390 L CA -1.080 53.827 54.840 0.113 0.000 0.838 390 L CB 1.236 43.354 42.059 0.099 0.000 1.224 390 L HN 0.044 nan 8.230 nan 0.000 0.416 391 A N 7.786 130.640 122.820 0.057 0.000 2.394 391 A HA 0.757 5.077 4.320 -0.000 0.000 0.333 391 A C -2.638 174.954 177.584 0.013 0.000 1.397 391 A CA -1.287 50.749 52.037 -0.002 0.000 0.884 391 A CB -0.158 18.845 19.000 0.006 0.000 1.147 391 A HN 0.527 nan 8.150 nan 0.000 0.505 392 P HA 0.369 nan 4.420 nan 0.000 0.285 392 P C -0.878 176.291 177.300 -0.218 0.000 1.259 392 P CA -0.274 62.747 63.100 -0.132 0.000 0.794 392 P CB 1.419 33.055 31.700 -0.108 0.000 0.940 393 L N 4.582 125.622 121.223 -0.305 0.000 2.282 393 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 393 L C -0.234 176.434 176.870 -0.338 0.000 1.033 393 L CA -0.114 54.628 54.840 -0.165 0.000 0.807 393 L CB 0.200 42.259 42.059 0.001 0.000 1.209 393 L HN 0.253 nan 8.230 nan 0.000 0.423 394 F N 2.802 122.782 119.950 0.050 0.000 2.467 394 F HA 0.558 5.085 4.527 -0.000 0.000 0.336 394 F C 0.509 176.455 175.800 0.243 0.000 1.123 394 F CA -0.738 57.287 58.000 0.043 0.000 0.964 394 F CB 1.442 40.258 39.000 -0.307 0.000 1.136 394 F HN 0.309 nan 8.300 nan 0.000 0.447 395 R N 3.040 123.702 120.500 0.270 0.000 2.490 395 R HA 0.611 4.950 4.340 -0.000 0.000 0.278 395 R C -1.145 175.341 176.300 0.310 0.000 1.069 395 R CA -0.328 55.839 56.100 0.112 0.000 1.080 395 R CB 0.821 30.945 30.300 -0.294 0.000 1.030 395 R HN 0.663 nan 8.270 nan 0.000 0.491 396 F N 0.287 120.303 119.950 0.110 0.000 2.643 396 F HA 0.447 4.973 4.527 -0.000 0.000 0.314 396 F C -0.019 175.809 175.800 0.047 0.000 1.096 396 F CA -1.001 57.050 58.000 0.084 0.000 0.953 396 F CB 1.495 40.543 39.000 0.081 0.000 1.345 396 F HN 0.342 nan 8.300 nan 0.000 0.468 397 K N -0.306 120.227 120.400 0.221 0.000 2.266 397 K HA 0.135 4.455 4.320 -0.000 0.000 0.209 397 K C -0.803 175.897 176.600 0.167 0.000 1.065 397 K CA 0.878 57.217 56.287 0.085 0.000 0.946 397 K CB 0.112 32.669 32.500 0.095 0.000 1.069 397 K HN 0.909 nan 8.250 nan 0.000 0.472 398 D N -1.013 119.579 120.400 0.320 0.000 2.552 398 D HA 0.012 4.652 4.640 -0.000 0.000 0.239 398 D C 0.450 176.961 176.300 0.352 0.000 1.139 398 D CA -0.497 53.692 54.000 0.315 0.000 0.914 398 D CB 1.464 42.364 40.800 0.167 0.000 1.461 398 D HN 0.115 nan 8.370 nan 0.000 0.462 399 E N 0.650 121.057 120.200 0.345 0.000 2.068 399 E HA -0.325 4.025 4.350 -0.000 0.000 0.207 399 E C 1.855 178.498 176.600 0.071 0.000 1.032 399 E CA 2.189 58.752 56.400 0.272 0.000 0.839 399 E CB -0.264 29.529 29.700 0.156 0.000 0.758 399 E HN 0.550 nan 8.360 nan 0.000 0.457 400 A N 0.689 123.536 122.820 0.044 0.000 1.940 400 A HA -0.271 4.048 4.320 -0.000 0.000 0.219 400 A C 2.095 179.659 177.584 -0.032 0.000 1.176 400 A CA 2.703 54.736 52.037 -0.007 0.000 0.631 400 A CB -1.551 17.450 19.000 0.001 0.000 0.814 400 A HN 0.635 nan 8.150 nan 0.000 0.446 401 D N -1.022 119.376 120.400 -0.003 0.000 2.084 401 D HA -0.063 4.576 4.640 -0.000 0.000 0.194 401 D C 2.080 178.294 176.300 -0.144 0.000 0.990 401 D CA 1.758 55.743 54.000 -0.026 0.000 0.826 401 D CB -0.839 39.994 40.800 0.055 0.000 0.971 401 D HN 0.303 nan 8.370 nan 0.000 0.453 402 V N 0.063 119.818 119.914 -0.265 0.000 2.427 402 V HA -0.084 4.035 4.120 -0.000 0.000 0.248 402 V C 2.615 178.411 176.094 -0.497 0.000 1.051 402 V CA 1.357 63.294 62.300 -0.606 0.000 1.048 402 V CB -0.417 30.639 31.823 -1.278 0.000 0.666 402 V HN 0.604 nan 8.190 nan 0.000 0.456 403 I N 0.316 120.709 120.570 -0.296 0.000 2.179 403 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 403 I C 2.698 178.714 176.117 -0.170 0.000 1.088 403 I CA 1.576 62.751 61.300 -0.208 0.000 1.357 403 I CB -0.676 37.243 38.000 -0.134 0.000 1.051 403 I HN 0.357 nan 8.210 nan 0.000 0.409 404 A N 0.034 122.767 122.820 -0.145 0.000 1.908 404 A HA -0.277 4.042 4.320 -0.000 0.000 0.218 404 A C 2.266 179.771 177.584 -0.133 0.000 1.181 404 A CA 1.722 53.693 52.037 -0.110 0.000 0.627 404 A CB -0.638 18.314 19.000 -0.080 0.000 0.818 404 A HN 0.478 nan 8.150 nan 0.000 0.445 405 Q N -0.946 118.727 119.800 -0.211 0.000 2.079 405 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 405 Q C 2.447 178.290 176.000 -0.263 0.000 0.974 405 Q CA 1.244 56.900 55.803 -0.245 0.000 0.840 405 Q CB -0.343 28.190 28.738 -0.342 0.000 0.898 405 Q HN 0.693 nan 8.270 nan 0.000 0.430 406 A N 1.348 123.953 122.820 -0.358 0.000 1.902 406 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 406 A C 1.630 179.264 177.584 0.083 0.000 1.181 406 A CA 1.510 53.442 52.037 -0.175 0.000 0.623 406 A CB -0.326 18.545 19.000 -0.216 0.000 0.818 406 A HN 0.284 nan 8.150 nan 0.000 0.443 407 N N 0.143 118.852 118.700 0.015 0.000 2.467 407 N HA -0.023 4.716 4.740 -0.000 0.000 0.184 407 N C -0.113 175.376 175.510 -0.034 0.000 1.106 407 N CA 0.531 53.584 53.050 0.005 0.000 0.892 407 N CB -0.153 38.312 38.487 -0.036 0.000 0.969 407 N HN 0.422 nan 8.380 nan 0.000 0.454 408 D N 0.766 121.150 120.400 -0.027 0.000 2.688 408 D HA 0.072 4.712 4.640 -0.000 0.000 0.228 408 D C -0.661 175.627 176.300 -0.019 0.000 1.116 408 D CA 0.196 54.176 54.000 -0.033 0.000 1.023 408 D CB -0.248 40.531 40.800 -0.035 0.000 1.100 408 D HN -0.060 nan 8.370 nan 0.000 0.487 409 T N -1.162 113.368 114.554 -0.040 0.000 2.886 409 T HA 0.452 4.802 4.350 -0.000 0.000 0.330 409 T C 0.797 175.408 174.700 -0.148 0.000 1.488 409 T CA 0.126 62.191 62.100 -0.057 0.000 1.054 409 T CB 0.939 69.858 68.868 0.086 0.000 1.348 409 T HN -0.008 nan 8.240 nan 0.000 0.489 410 E N 2.256 122.280 120.200 -0.293 0.000 2.274 410 E HA 0.246 4.596 4.350 -0.000 0.000 0.194 410 E C 0.410 176.832 176.600 -0.296 0.000 0.996 410 E CA 0.799 56.999 56.400 -0.333 0.000 0.840 410 E CB -0.448 28.998 29.700 -0.424 0.000 0.772 410 E HN 0.614 nan 8.360 nan 0.000 0.491 411 F N -0.814 119.112 119.950 -0.040 0.000 2.403 411 F HA 0.526 5.052 4.527 -0.001 0.000 0.320 411 F C 1.477 177.166 175.800 -0.186 0.000 1.176 411 F CA 0.096 58.072 58.000 -0.040 0.000 1.206 411 F CB 1.878 40.911 39.000 0.054 0.000 1.235 411 F HN 0.072 nan 8.300 nan 0.000 0.565 412 G N 1.622 110.444 108.800 0.036 0.000 5.072 412 G HA2 0.296 4.255 3.960 -0.000 0.000 0.208 412 G HA3 0.296 4.255 3.960 -0.000 0.000 0.208 412 G C -0.505 174.387 174.900 -0.014 0.000 0.804 412 G CA -0.201 44.695 45.100 -0.340 0.000 0.619 412 G HN 0.520 nan 8.290 nan 0.000 0.427 413 L N 1.060 122.433 121.223 0.250 0.000 2.140 413 L HA 0.864 5.204 4.340 -0.000 0.000 0.201 413 L C 1.279 178.303 176.870 0.257 0.000 1.191 413 L CA 1.319 56.293 54.840 0.224 0.000 0.825 413 L CB -0.234 41.916 42.059 0.151 0.000 0.970 413 L HN 0.294 nan 8.230 nan 0.000 0.477 414 A N -0.743 122.179 122.820 0.170 0.000 2.324 414 A HA 0.833 5.153 4.320 -0.000 0.000 0.330 414 A C -0.871 176.476 177.584 -0.396 0.000 1.165 414 A CA 0.041 52.014 52.037 -0.106 0.000 0.813 414 A CB 0.835 19.749 19.000 -0.143 0.000 1.197 414 A HN 0.620 nan 8.150 nan 0.000 0.484 415 A N 0.894 123.304 122.820 -0.684 0.000 2.515 415 A HA 0.866 5.186 4.320 -0.000 0.000 0.296 415 A C -1.521 175.635 177.584 -0.713 0.000 1.094 415 A CA -0.472 51.125 52.037 -0.733 0.000 0.718 415 A CB 1.016 19.440 19.000 -0.961 0.000 1.307 415 A HN 0.887 nan 8.150 nan 0.000 0.408 416 Y N -0.505 119.726 120.300 -0.115 0.000 2.524 416 Y HA 0.686 5.236 4.550 -0.000 0.000 0.347 416 Y C -0.519 175.302 175.900 -0.132 0.000 1.005 416 Y CA -0.755 57.242 58.100 -0.170 0.000 1.025 416 Y CB 2.201 40.514 38.460 -0.244 0.000 1.275 416 Y HN 0.843 nan 8.280 nan 0.000 0.460 417 F N -0.693 119.169 119.950 -0.147 0.000 2.654 417 F HA 0.738 5.265 4.527 -0.001 0.000 0.308 417 F C -2.423 173.347 175.800 -0.049 0.000 1.108 417 F CA -1.850 56.111 58.000 -0.064 0.000 0.957 417 F CB 1.347 40.407 39.000 0.100 0.000 1.309 417 F HN 0.385 nan 8.300 nan 0.000 0.446 418 Y N 1.779 122.160 120.300 0.135 0.000 2.326 418 Y HA 0.810 5.359 4.550 -0.000 0.000 0.331 418 Y C -0.089 176.025 175.900 0.356 0.000 0.962 418 Y CA -0.666 57.492 58.100 0.097 0.000 1.167 418 Y CB 1.927 40.433 38.460 0.076 0.000 1.148 418 Y HN 1.088 nan 8.280 nan 0.000 0.463 419 A N 3.104 126.095 122.820 0.285 0.000 2.605 419 A HA 0.658 4.978 4.320 -0.000 0.000 0.294 419 A C -0.414 177.237 177.584 0.111 0.000 1.062 419 A CA -0.941 51.253 52.037 0.261 0.000 0.682 419 A CB 1.590 20.731 19.000 0.234 0.000 1.278 419 A HN 0.873 nan 8.150 nan 0.000 0.410 420 R N -0.134 120.425 120.500 0.097 0.000 2.279 420 R HA 0.113 4.452 4.340 -0.000 0.000 0.195 420 R C -0.445 175.883 176.300 0.047 0.000 0.905 420 R CA 0.199 56.335 56.100 0.061 0.000 1.044 420 R CB 0.297 30.639 30.300 0.070 0.000 1.056 420 R HN 0.800 nan 8.270 nan 0.000 0.535 421 D N 1.035 121.459 120.400 0.040 0.000 2.371 421 D HA -0.035 4.605 4.640 -0.000 0.000 0.256 421 D C 1.069 177.401 176.300 0.053 0.000 1.193 421 D CA -0.151 53.868 54.000 0.031 0.000 0.881 421 D CB 1.027 41.830 40.800 0.004 0.000 1.143 421 D HN -0.128 nan 8.370 nan 0.000 0.473 422 L N 3.681 124.949 121.223 0.075 0.000 1.990 422 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 422 L C 2.070 179.074 176.870 0.223 0.000 1.072 422 L CA 1.821 56.752 54.840 0.152 0.000 0.755 422 L CB -0.744 41.395 42.059 0.132 0.000 0.889 422 L HN 0.472 nan 8.230 nan 0.000 0.432 423 S N -0.768 114.995 115.700 0.104 0.000 2.370 423 S HA -0.249 4.220 4.470 -0.000 0.000 0.226 423 S C 2.063 176.706 174.600 0.072 0.000 1.033 423 S CA 1.571 59.812 58.200 0.068 0.000 1.011 423 S CB -0.440 62.755 63.200 -0.009 0.000 0.852 423 S HN 0.479 nan 8.310 nan 0.000 0.457 424 R N 0.860 121.361 120.500 0.002 0.000 2.091 424 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 424 R C 2.045 178.310 176.300 -0.059 0.000 1.136 424 R CA 1.556 57.591 56.100 -0.108 0.000 0.959 424 R CB -0.507 29.661 30.300 -0.221 0.000 0.856 424 R HN 0.255 nan 8.270 nan 0.000 0.437 425 V N 0.693 120.664 119.914 0.095 0.000 2.287 425 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 425 V C 2.072 178.244 176.094 0.130 0.000 1.053 425 V CA 1.986 64.417 62.300 0.219 0.000 1.027 425 V CB -0.592 31.302 31.823 0.117 0.000 0.646 425 V HN 0.267 nan 8.190 nan 0.000 0.447 426 F N 0.116 120.082 119.950 0.026 0.000 2.102 426 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 426 F C 2.663 178.439 175.800 -0.039 0.000 1.105 426 F CA 1.814 59.814 58.000 0.001 0.000 1.239 426 F CB -0.418 38.573 39.000 -0.015 0.000 0.991 426 F HN -0.050 nan 8.300 nan 0.000 0.474 427 R N -0.089 120.483 120.500 0.121 0.000 2.080 427 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 427 R C 2.119 178.361 176.300 -0.096 0.000 1.137 427 R CA 1.881 57.979 56.100 -0.002 0.000 0.943 427 R CB -0.968 29.301 30.300 -0.051 0.000 0.846 427 R HN 0.176 nan 8.270 nan 0.000 0.431 428 V N -0.032 119.741 119.914 -0.235 0.000 2.307 428 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 428 V C 2.427 178.325 176.094 -0.326 0.000 1.045 428 V CA 2.045 64.080 62.300 -0.442 0.000 1.024 428 V CB -1.009 30.226 31.823 -0.981 0.000 0.651 428 V HN 0.563 nan 8.190 nan 0.000 0.449 429 G N -0.417 108.303 108.800 -0.134 0.000 2.469 429 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 429 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 429 G C 1.489 176.386 174.900 -0.004 0.000 1.150 429 G CA 1.072 46.214 45.100 0.071 0.000 0.763 429 G HN 0.576 nan 8.290 nan 0.000 0.561 430 E N 0.220 120.411 120.200 -0.014 0.000 2.107 430 E HA 0.093 4.443 4.350 -0.000 0.000 0.191 430 E C 2.803 179.392 176.600 -0.017 0.000 0.982 430 E CA 0.687 57.086 56.400 -0.002 0.000 0.809 430 E CB -0.092 29.629 29.700 0.035 0.000 0.756 430 E HN 0.426 nan 8.360 nan 0.000 0.459 431 A N 0.774 123.569 122.820 -0.041 0.000 2.072 431 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 431 A C 1.042 178.609 177.584 -0.028 0.000 1.156 431 A CA 0.039 52.050 52.037 -0.044 0.000 0.701 431 A CB -0.167 18.794 19.000 -0.065 0.000 0.816 431 A HN 0.078 nan 8.150 nan 0.000 0.458 432 L N 1.386 122.603 121.223 -0.009 0.000 2.462 432 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 432 L C 0.085 177.036 176.870 0.134 0.000 1.166 432 L CA -0.033 54.865 54.840 0.097 0.000 0.880 432 L CB 0.513 42.636 42.059 0.107 0.000 1.142 432 L HN 0.343 nan 8.230 nan 0.000 0.473 433 E N 4.457 124.706 120.200 0.082 0.000 2.110 433 E HA 0.184 4.534 4.350 -0.000 0.000 0.300 433 E C -1.400 174.932 176.600 -0.446 0.000 1.278 433 E CA -0.033 56.276 56.400 -0.151 0.000 1.365 433 E CB 0.111 29.681 29.700 -0.216 0.000 1.283 433 E HN 0.347 nan 8.360 nan 0.000 0.490 434 Y N -1.551 118.722 120.300 -0.045 0.000 2.524 434 Y HA 0.323 4.873 4.550 -0.001 0.000 0.347 434 Y C 1.329 177.188 175.900 -0.068 0.000 1.005 434 Y CA -1.005 57.067 58.100 -0.046 0.000 1.025 434 Y CB 1.769 40.192 38.460 -0.062 0.000 1.275 434 Y HN 0.219 nan 8.280 nan 0.000 0.460 435 G N 1.386 110.223 108.800 0.061 0.000 2.448 435 G HA2 0.037 3.997 3.960 -0.000 0.000 0.218 435 G HA3 0.037 3.997 3.960 -0.000 0.000 0.218 435 G C 0.177 175.035 174.900 -0.069 0.000 1.135 435 G CA 0.583 45.675 45.100 -0.014 0.000 0.784 435 G HN 0.432 nan 8.290 nan 0.000 0.543 436 I N 0.467 121.000 120.570 -0.063 0.000 2.466 436 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 436 I C -1.238 174.753 176.117 -0.210 0.000 1.026 436 I CA -0.859 60.328 61.300 -0.189 0.000 1.078 436 I CB 2.913 40.782 38.000 -0.219 0.000 1.249 436 I HN -0.299 nan 8.210 nan 0.000 0.429 437 V N 4.702 124.479 119.914 -0.228 0.000 2.409 437 V HA 0.524 4.644 4.120 -0.000 0.000 0.290 437 V C 0.451 176.382 176.094 -0.271 0.000 1.017 437 V CA -0.610 61.548 62.300 -0.237 0.000 0.841 437 V CB 1.615 33.388 31.823 -0.083 0.000 1.003 437 V HN 0.891 nan 8.190 nan 0.000 0.426 438 G N 5.175 113.765 108.800 -0.351 0.000 2.339 438 G HA2 0.652 4.612 3.960 -0.000 0.000 0.287 438 G HA3 0.652 4.612 3.960 -0.000 0.000 0.287 438 G C -0.579 174.115 174.900 -0.344 0.000 1.163 438 G CA -0.307 44.681 45.100 -0.187 0.000 0.872 438 G HN 0.647 nan 8.290 nan 0.000 0.464 439 I N 2.499 122.789 120.570 -0.468 0.000 2.382 439 I HA 0.181 4.351 4.170 -0.000 0.000 0.285 439 I C -0.106 175.579 176.117 -0.721 0.000 1.007 439 I CA -0.840 59.975 61.300 -0.808 0.000 1.142 439 I CB 1.540 39.083 38.000 -0.761 0.000 1.289 439 I HN 0.470 nan 8.210 nan 0.000 0.453 440 N N 2.187 120.236 118.700 -1.085 0.000 2.714 440 N HA -0.184 4.555 4.740 -0.000 0.000 0.250 440 N C -0.150 174.900 175.510 -0.767 0.000 1.117 440 N CA 1.319 53.605 53.050 -1.273 0.000 0.719 440 N CB -0.913 37.242 38.487 -0.555 0.000 1.081 440 N HN 0.757 nan 8.380 nan 0.000 0.557 441 T N -2.651 111.581 114.554 -0.537 0.000 2.982 441 T HA 0.578 4.928 4.350 -0.000 0.000 0.321 441 T C 0.869 175.670 174.700 0.168 0.000 1.229 441 T CA 0.083 62.165 62.100 -0.030 0.000 1.044 441 T CB 1.424 70.275 68.868 -0.028 0.000 1.184 441 T HN 0.076 nan 8.240 nan 0.000 0.477 442 G N 2.238 111.190 108.800 0.252 0.000 2.986 442 G HA2 0.341 4.301 3.960 -0.000 0.000 0.213 442 G HA3 0.341 4.301 3.960 -0.000 0.000 0.213 442 G C 0.408 175.375 174.900 0.112 0.000 1.156 442 G CA -0.086 45.104 45.100 0.151 0.000 0.763 442 G HN 0.851 nan 8.290 nan 0.000 0.547 443 I N -1.064 119.590 120.570 0.140 0.000 2.420 443 I HA 0.534 4.704 4.170 -0.000 0.000 0.282 443 I C 0.486 176.678 176.117 0.124 0.000 1.019 443 I CA -1.163 60.204 61.300 0.112 0.000 1.130 443 I CB 1.548 39.577 38.000 0.049 0.000 1.262 443 I HN 0.043 nan 8.210 nan 0.000 0.454 444 I N 0.850 121.530 120.570 0.184 0.000 4.139 444 I HA 0.343 4.513 4.170 -0.000 0.000 0.335 444 I C 0.564 176.887 176.117 0.344 0.000 1.327 444 I CA -0.079 61.345 61.300 0.206 0.000 1.112 444 I CB 0.249 38.373 38.000 0.206 0.000 1.058 444 I HN 0.412 nan 8.210 nan 0.000 0.396 445 S N 3.396 119.199 115.700 0.171 0.000 2.525 445 S HA 0.315 4.785 4.470 -0.000 0.000 0.285 445 S C -0.192 174.414 174.600 0.011 0.000 1.283 445 S CA -0.079 58.087 58.200 -0.057 0.000 1.072 445 S CB -0.176 62.716 63.200 -0.513 0.000 0.867 445 S HN 0.809 nan 8.310 nan 0.000 0.492 446 N N 0.544 119.282 118.700 0.063 0.000 3.227 446 N HA 0.155 4.894 4.740 -0.000 0.000 0.241 446 N C -0.135 175.262 175.510 -0.189 0.000 1.480 446 N CA -0.864 52.202 53.050 0.027 0.000 0.886 446 N CB 0.486 38.974 38.487 0.001 0.000 1.406 446 N HN 0.350 nan 8.380 nan 0.000 0.514 447 E N -0.143 119.708 120.200 -0.581 0.000 2.447 447 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 447 E C 0.928 176.912 176.600 -1.027 0.000 1.028 447 E CA 1.039 56.787 56.400 -1.086 0.000 0.876 447 E CB -0.141 28.671 29.700 -1.481 0.000 0.885 447 E HN 0.553 nan 8.360 nan 0.000 0.500 448 V N -2.016 117.407 119.914 -0.819 0.000 3.354 448 V HA 0.493 4.612 4.120 -0.000 0.000 0.258 448 V C 1.095 176.904 176.094 -0.475 0.000 1.159 448 V CA 0.198 61.852 62.300 -1.076 0.000 1.125 448 V CB -0.069 31.303 31.823 -0.750 0.000 0.774 448 V HN 0.290 nan 8.190 nan 0.000 0.464 449 A N 1.952 124.697 122.820 -0.126 0.000 2.325 449 A HA 0.836 5.156 4.320 -0.000 0.000 0.333 449 A C -2.852 174.828 177.584 0.161 0.000 1.155 449 A CA -2.171 49.874 52.037 0.013 0.000 0.814 449 A CB 0.811 19.781 19.000 -0.050 0.000 1.206 449 A HN 0.273 nan 8.150 nan 0.000 0.482 450 P HA 0.261 nan 4.420 nan 0.000 0.276 450 P C -1.220 176.082 177.300 0.002 0.000 1.253 450 P CA 0.547 63.747 63.100 0.166 0.000 0.766 450 P CB 0.013 31.776 31.700 0.105 0.000 0.845 451 F N 3.089 123.091 119.950 0.087 0.000 2.426 451 F HA 0.699 5.226 4.527 -0.001 0.000 0.348 451 F C 1.112 176.942 175.800 0.050 0.000 1.124 451 F CA 0.249 58.285 58.000 0.061 0.000 1.008 451 F CB 2.260 41.310 39.000 0.083 0.000 1.139 451 F HN 0.487 nan 8.300 nan 0.000 0.452 452 G N 1.273 110.158 108.800 0.142 0.000 2.356 452 G HA2 0.483 4.443 3.960 -0.000 0.000 0.294 452 G HA3 0.483 4.443 3.960 -0.000 0.000 0.294 452 G C -1.539 173.395 174.900 0.057 0.000 1.423 452 G CA -0.402 44.759 45.100 0.101 0.000 0.806 452 G HN 0.839 nan 8.290 nan 0.000 0.527 453 G N -1.051 107.783 108.800 0.056 0.000 2.471 453 G HA2 0.796 4.756 3.960 -0.000 0.000 0.332 453 G HA3 0.796 4.756 3.960 -0.000 0.000 0.332 453 G C 0.033 174.942 174.900 0.015 0.000 1.176 453 G CA -0.303 44.825 45.100 0.046 0.000 0.949 453 G HN 1.360 nan 8.290 nan 0.000 0.488 454 I N -2.244 118.318 120.570 -0.013 0.000 3.076 454 I HA 0.797 4.967 4.170 -0.000 0.000 0.313 454 I C 0.495 176.589 176.117 -0.038 0.000 1.053 454 I CA -0.998 60.279 61.300 -0.038 0.000 1.048 454 I CB 1.645 39.603 38.000 -0.071 0.000 1.264 454 I HN 0.708 nan 8.210 nan 0.000 0.498 455 K N 0.930 121.301 120.400 -0.048 0.000 1.844 455 K HA -0.296 4.024 4.320 -0.000 0.000 0.160 455 K C 1.026 177.620 176.600 -0.011 0.000 1.448 455 K CA 1.419 57.676 56.287 -0.049 0.000 0.446 455 K CB -1.749 30.697 32.500 -0.089 0.000 0.635 455 K HN 0.851 nan 8.250 nan 0.000 0.848 456 A N 0.500 123.316 122.820 -0.007 0.000 2.209 456 A HA 0.013 4.333 4.320 -0.000 0.000 0.212 456 A C 1.853 179.519 177.584 0.137 0.000 1.158 456 A CA 1.772 53.829 52.037 0.033 0.000 0.742 456 A CB -0.286 18.690 19.000 -0.041 0.000 0.790 456 A HN 0.418 nan 8.150 nan 0.000 0.472 457 S N -0.972 114.821 115.700 0.156 0.000 2.474 457 S HA 0.345 4.814 4.470 -0.000 0.000 0.235 457 S C 0.991 175.658 174.600 0.112 0.000 0.997 457 S CA 0.871 59.174 58.200 0.171 0.000 0.949 457 S CB -0.083 63.210 63.200 0.155 0.000 0.766 457 S HN 1.236 nan 8.310 nan 0.000 0.517 458 G N -0.353 108.496 108.800 0.083 0.000 2.356 458 G HA2 0.337 4.297 3.960 -0.000 0.000 0.288 458 G HA3 0.337 4.297 3.960 -0.000 0.000 0.288 458 G C -2.282 172.647 174.900 0.049 0.000 1.302 458 G CA -1.053 44.091 45.100 0.074 0.000 0.887 458 G HN 0.171 nan 8.290 nan 0.000 0.521 459 L N 0.196 121.449 121.223 0.049 0.000 2.455 459 L HA 0.717 5.057 4.340 -0.000 0.000 0.264 459 L C 0.671 177.562 176.870 0.035 0.000 0.968 459 L CA 0.126 54.984 54.840 0.032 0.000 0.827 459 L CB 1.988 44.061 42.059 0.024 0.000 1.317 459 L HN 2.381 nan 8.230 nan 0.000 0.407 460 G N 1.983 110.802 108.800 0.031 0.000 2.795 460 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.664 460 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.664 460 G C -1.373 173.572 174.900 0.075 0.000 1.381 460 G CA -0.903 44.226 45.100 0.048 0.000 0.853 460 G HN 0.484 nan 8.290 nan 0.000 0.545 461 R N 0.237 120.810 120.500 0.122 0.000 2.795 461 R HA 0.614 4.954 4.340 -0.000 0.000 0.275 461 R C -0.301 176.140 176.300 0.236 0.000 0.981 461 R CA -0.737 55.464 56.100 0.169 0.000 0.917 461 R CB 1.789 32.191 30.300 0.170 0.000 1.202 461 R HN 0.756 nan 8.270 nan 0.000 0.469 462 E N 0.058 120.419 120.200 0.268 0.000 2.227 462 E HA 0.591 4.941 4.350 -0.000 0.000 0.268 462 E C -0.165 176.702 176.600 0.445 0.000 0.907 462 E CA -0.671 55.905 56.400 0.294 0.000 0.786 462 E CB 2.143 31.915 29.700 0.119 0.000 1.191 462 E HN 0.762 nan 8.360 nan 0.000 0.411 463 G N 1.856 111.026 108.800 0.616 0.000 2.829 463 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.628 463 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.628 463 G C -0.044 175.057 174.900 0.335 0.000 1.412 463 G CA -0.151 45.252 45.100 0.505 0.000 0.864 463 G HN 1.580 nan 8.290 nan 0.000 0.544 464 S N -1.916 113.695 115.700 -0.148 0.000 3.849 464 S HA -0.165 4.304 4.470 -0.000 0.000 0.654 464 S C 1.412 176.293 174.600 0.468 0.000 1.808 464 S CA 1.690 59.920 58.200 0.049 0.000 1.951 464 S CB -0.999 62.320 63.200 0.199 0.000 0.330 464 S HN 2.598 nan 8.310 nan 0.000 1.627 465 K N -0.118 120.479 120.400 0.328 0.000 2.209 465 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 465 K C 1.693 178.326 176.600 0.055 0.000 1.048 465 K CA 1.975 58.349 56.287 0.145 0.000 0.940 465 K CB -0.571 31.882 32.500 -0.079 0.000 0.729 465 K HN 0.669 nan 8.250 nan 0.000 0.451 466 Y N 1.693 122.159 120.300 0.276 0.000 2.439 466 Y HA 0.058 4.608 4.550 -0.000 0.000 0.292 466 Y C 2.714 178.781 175.900 0.279 0.000 1.130 466 Y CA 0.886 59.121 58.100 0.226 0.000 1.254 466 Y CB -0.610 37.946 38.460 0.161 0.000 1.000 466 Y HN 0.234 nan 8.280 nan 0.000 0.554 467 G N -0.026 109.091 108.800 0.528 0.000 2.408 467 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.217 467 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.217 467 G C 1.667 176.795 174.900 0.381 0.000 1.150 467 G CA 0.804 46.219 45.100 0.525 0.000 0.776 467 G HN 0.488 nan 8.290 nan 0.000 0.542 468 I N 0.009 120.823 120.570 0.407 0.000 2.617 468 I HA 0.012 4.181 4.170 -0.000 0.000 0.256 468 I C 2.536 178.802 176.117 0.248 0.000 1.167 468 I CA 0.596 62.038 61.300 0.237 0.000 1.469 468 I CB -0.018 38.131 38.000 0.247 0.000 1.098 468 I HN 0.222 nan 8.210 nan 0.000 0.436 469 E N 0.686 121.026 120.200 0.232 0.000 2.114 469 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 469 E C 1.333 178.015 176.600 0.136 0.000 1.008 469 E CA 1.649 58.155 56.400 0.177 0.000 0.810 469 E CB -0.190 29.628 29.700 0.196 0.000 0.739 469 E HN 0.558 nan 8.360 nan 0.000 0.456 470 D N -0.546 119.931 120.400 0.130 0.000 2.310 470 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 470 D C 0.833 176.992 176.300 -0.234 0.000 0.965 470 D CA 0.987 54.953 54.000 -0.057 0.000 0.879 470 D CB 0.009 40.736 40.800 -0.123 0.000 0.921 470 D HN 0.345 nan 8.370 nan 0.000 0.510 471 Y N -0.231 120.084 120.300 0.025 0.000 2.507 471 Y HA 0.311 4.860 4.550 -0.001 0.000 0.254 471 Y C 0.619 176.537 175.900 0.029 0.000 1.171 471 Y CA -0.157 57.954 58.100 0.018 0.000 1.238 471 Y CB 0.516 38.970 38.460 -0.010 0.000 1.148 471 Y HN -0.222 nan 8.280 nan 0.000 0.525 472 L N 0.257 121.560 121.223 0.134 0.000 2.333 472 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 472 L C -0.302 176.607 176.870 0.065 0.000 1.010 472 L CA -0.997 53.901 54.840 0.097 0.000 0.818 472 L CB 1.860 43.974 42.059 0.091 0.000 1.306 472 L HN -0.117 nan 8.230 nan 0.000 0.430 473 E N 2.188 122.423 120.200 0.058 0.000 2.183 473 E HA 0.462 4.812 4.350 -0.000 0.000 0.271 473 E C -0.804 175.829 176.600 0.054 0.000 0.919 473 E CA -0.616 55.813 56.400 0.049 0.000 0.781 473 E CB 2.788 32.513 29.700 0.042 0.000 1.140 473 E HN 0.399 nan 8.360 nan 0.000 0.402 474 I N 2.430 123.034 120.570 0.057 0.000 2.441 474 I HA 0.085 4.255 4.170 -0.000 0.000 0.287 474 I C 0.656 176.818 176.117 0.075 0.000 1.049 474 I CA 0.119 61.459 61.300 0.067 0.000 1.381 474 I CB 0.557 38.597 38.000 0.066 0.000 1.409 474 I HN 0.089 nan 8.210 nan 0.000 0.523 475 K N 7.171 127.621 120.400 0.083 0.000 2.450 475 K HA 0.247 4.566 4.320 -0.000 0.000 0.257 475 K C -1.431 175.254 176.600 0.142 0.000 0.953 475 K CA -0.650 55.691 56.287 0.089 0.000 0.844 475 K CB 1.182 33.713 32.500 0.051 0.000 1.103 475 K HN 0.458 nan 8.250 nan 0.000 0.429 476 Y N 5.771 126.081 120.300 0.017 0.000 2.350 476 Y HA 0.358 4.907 4.550 -0.001 0.000 0.340 476 Y C -1.040 174.870 175.900 0.017 0.000 1.006 476 Y CA -0.730 57.380 58.100 0.016 0.000 1.166 476 Y CB 0.751 39.217 38.460 0.009 0.000 1.168 476 Y HN 0.548 nan 8.280 nan 0.000 0.502 477 M N 7.195 126.697 119.600 -0.165 0.000 2.311 477 M HA 0.343 4.823 4.480 -0.000 0.000 0.325 477 M C -1.302 174.798 176.300 -0.334 0.000 1.061 477 M CA -0.636 54.480 55.300 -0.306 0.000 0.957 477 M CB 1.590 34.133 32.600 -0.094 0.000 1.646 477 M HN 0.801 nan 8.290 nan 0.000 0.434 478 C N 5.826 124.878 119.300 -0.413 0.000 2.293 478 C HA 0.693 5.152 4.460 -0.000 0.000 0.323 478 C C -0.696 174.257 174.990 -0.062 0.000 1.240 478 C CA -0.559 58.357 59.018 -0.171 0.000 1.497 478 C CB -0.632 26.997 27.740 -0.186 0.000 2.171 478 C HN 0.826 nan 8.230 nan 0.000 0.465 479 I N 5.311 125.882 120.570 0.001 0.000 2.336 479 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 479 I C 1.023 177.145 176.117 0.008 0.000 0.991 479 I CA 0.413 61.711 61.300 -0.003 0.000 1.227 479 I CB 1.503 39.503 38.000 0.001 0.000 1.366 479 I HN 0.792 nan 8.210 nan 0.000 0.466 480 G N 6.505 115.305 108.800 -0.000 0.000 2.320 480 G HA2 0.564 4.523 3.960 -0.000 0.000 0.300 480 G HA3 0.564 4.523 3.960 -0.000 0.000 0.300 480 G C -0.499 174.397 174.900 -0.008 0.000 1.126 480 G CA -0.244 44.854 45.100 -0.003 0.000 0.896 480 G HN 0.224 nan 8.290 nan 0.000 0.436 481 L N 0.000 121.216 121.223 -0.012 0.000 2.949 481 L HA 0.000 4.340 4.340 -0.000 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