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 3ide_1_B DATA FIRST_RESID 6 DATA SEQUENCE ATATYLKSIM LPETGPASIP DDITERHILK QETSSYNLEV SESGSGVLVC DATA SEQUENCE FPGAPGSRIG AHYRWNANQT GLEFDQWLET SQDLKKAFNY GRLISRKYDI DATA SEQUENCE QSSTLXXXXX XXNGTLNAAT FEGSLSEVES LTYNSLMSLT TNPQDKVNNQ DATA SEQUENCE LVTKGVTVLN LPTGFDKPYV RLEDETPQGL QSMNGAKMRC TAAIAPRRYE DATA SEQUENCE IDLPSQRLPP VPATGTLTTL YEGNADIVNS TTVTGDINFS LAEQPADETK DATA SEQUENCE FDFQLDFMGL DNDVPVVTVV SSVLATNDNY RGVSAKMTQS IPTENITKPI DATA SEQUENCE TRVKLSYKIN QQTAIGNVAT LGTMGPASVS FSSGNGNVPG VLRPITLVAY DATA SEQUENCE EKMTPLSILT VAGVSNYELI PNPELLKNMV TRYGKYDPEG LNYAKMILSH DATA SEQUENCE REELDIRTVW RTEEYKERTR VFN 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.553 177.584 -0.051 0.000 1.274 6 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 6 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 7 T N -3.724 110.777 114.554 -0.087 0.000 2.978 7 T HA 0.371 4.721 4.350 -0.000 0.000 0.248 7 T C 1.656 176.332 174.700 -0.039 0.000 1.018 7 T CA 1.330 63.378 62.100 -0.087 0.000 1.026 7 T CB 0.042 68.826 68.868 -0.141 0.000 1.032 7 T HN 1.263 nan 8.240 nan 0.000 0.485 8 A N 1.781 124.550 122.820 -0.085 0.000 2.248 8 A HA 0.114 4.434 4.320 -0.000 0.000 0.210 8 A C 2.220 179.880 177.584 0.127 0.000 1.174 8 A CA 1.384 53.442 52.037 0.035 0.000 0.750 8 A CB -1.348 17.663 19.000 0.017 0.000 0.780 8 A HN 0.614 nan 8.150 nan 0.000 0.478 9 T N -1.235 113.377 114.554 0.097 0.000 2.708 9 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 9 T C 1.789 176.587 174.700 0.164 0.000 1.037 9 T CA 1.667 63.833 62.100 0.110 0.000 1.146 9 T CB -0.457 68.466 68.868 0.091 0.000 0.865 9 T HN 0.596 nan 8.240 nan 0.000 0.435 10 Y N 1.775 122.104 120.300 0.048 0.000 2.114 10 Y HA -0.023 4.527 4.550 -0.000 0.000 0.284 10 Y C 2.202 178.129 175.900 0.046 0.000 1.143 10 Y CA 0.594 58.718 58.100 0.041 0.000 1.135 10 Y CB -0.872 37.601 38.460 0.023 0.000 0.980 10 Y HN 0.115 nan 8.280 nan 0.000 0.499 11 L N 0.432 121.622 121.223 -0.054 0.000 2.079 11 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 11 L C 2.595 179.338 176.870 -0.212 0.000 1.081 11 L CA 2.050 56.771 54.840 -0.199 0.000 0.752 11 L CB -0.503 41.569 42.059 0.023 0.000 0.896 11 L HN 0.289 nan 8.230 nan 0.000 0.433 12 K N -0.852 119.522 120.400 -0.044 0.000 2.063 12 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 12 K C 2.255 178.809 176.600 -0.077 0.000 1.048 12 K CA 1.834 58.102 56.287 -0.031 0.000 0.928 12 K CB -0.112 32.428 32.500 0.067 0.000 0.713 12 K HN 0.172 nan 8.250 nan 0.000 0.442 13 S N 0.408 116.074 115.700 -0.057 0.000 2.383 13 S HA -0.068 4.402 4.470 -0.000 0.000 0.227 13 S C 1.875 176.406 174.600 -0.115 0.000 1.026 13 S CA 1.013 59.185 58.200 -0.046 0.000 0.981 13 S CB -0.208 63.010 63.200 0.030 0.000 0.818 13 S HN 0.337 nan 8.310 nan 0.000 0.472 14 I N 1.018 121.449 120.570 -0.232 0.000 2.226 14 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 14 I C 2.373 178.387 176.117 -0.171 0.000 1.100 14 I CA 1.095 62.250 61.300 -0.242 0.000 1.374 14 I CB -0.203 37.574 38.000 -0.373 0.000 1.057 14 I HN 0.368 nan 8.210 nan 0.000 0.413 15 M N -0.489 118.969 119.600 -0.237 0.000 2.287 15 M HA 0.054 4.534 4.480 -0.000 0.000 0.266 15 M C 0.474 176.736 176.300 -0.064 0.000 1.079 15 M CA 1.152 56.322 55.300 -0.217 0.000 1.146 15 M CB -0.370 31.871 32.600 -0.599 0.000 1.374 15 M HN 0.061 nan 8.290 nan 0.000 0.435 16 L N 0.258 121.439 121.223 -0.069 0.000 2.581 16 L HA 0.278 4.618 4.340 -0.000 0.000 0.241 16 L C -1.768 175.103 176.870 0.001 0.000 1.265 16 L CA -1.098 53.741 54.840 -0.001 0.000 0.954 16 L CB 0.516 42.561 42.059 -0.022 0.000 1.269 16 L HN -0.073 nan 8.230 nan 0.000 0.475 17 P HA -0.174 nan 4.420 nan 0.000 0.219 17 P C 1.451 178.744 177.300 -0.012 0.000 1.146 17 P CA 0.852 63.937 63.100 -0.026 0.000 0.808 17 P CB 0.511 32.177 31.700 -0.057 0.000 0.779 18 E N -0.927 119.277 120.200 0.007 0.000 2.160 18 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 18 E C 1.764 178.369 176.600 0.010 0.000 0.991 18 E CA 1.555 57.961 56.400 0.009 0.000 0.810 18 E CB -0.795 28.920 29.700 0.024 0.000 0.742 18 E HN 0.095 nan 8.360 nan 0.000 0.466 19 T N -0.499 114.062 114.554 0.011 0.000 2.699 19 T HA -0.005 4.345 4.350 -0.000 0.000 0.268 19 T C 0.738 175.450 174.700 0.020 0.000 1.036 19 T CA 1.203 63.312 62.100 0.015 0.000 1.147 19 T CB -0.322 68.556 68.868 0.016 0.000 0.862 19 T HN 0.516 nan 8.240 nan 0.000 0.446 20 G N 0.530 109.341 108.800 0.018 0.000 2.354 20 G HA2 0.191 4.151 3.960 -0.000 0.000 0.582 20 G HA3 0.191 4.151 3.960 -0.000 0.000 0.582 20 G C -3.380 171.541 174.900 0.035 0.000 1.316 20 G CA -1.253 43.863 45.100 0.028 0.000 0.995 20 G HN 0.072 nan 8.290 nan 0.000 0.573 21 P HA 0.585 nan 4.420 nan 0.000 0.278 21 P C -0.402 176.954 177.300 0.093 0.000 1.238 21 P CA 0.256 63.396 63.100 0.068 0.000 0.794 21 P CB 1.611 33.359 31.700 0.080 0.000 0.955 22 A N 1.590 124.485 122.820 0.125 0.000 2.398 22 A HA 0.568 4.888 4.320 -0.000 0.000 0.301 22 A C -0.283 177.396 177.584 0.158 0.000 1.041 22 A CA -0.500 51.627 52.037 0.150 0.000 0.711 22 A CB 0.752 19.859 19.000 0.179 0.000 1.240 22 A HN 0.420 nan 8.150 nan 0.000 0.420 23 S N 1.482 117.274 115.700 0.153 0.000 2.558 23 S HA 0.219 4.689 4.470 -0.000 0.000 0.288 23 S C 0.323 174.898 174.600 -0.042 0.000 1.318 23 S CA 0.077 58.360 58.200 0.139 0.000 1.056 23 S CB -0.018 63.345 63.200 0.272 0.000 0.853 23 S HN 0.499 nan 8.310 nan 0.000 0.505 24 I N 3.803 124.270 120.570 -0.171 0.000 2.436 24 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 24 I C -1.920 173.977 176.117 -0.367 0.000 1.083 24 I CA -1.938 59.089 61.300 -0.456 0.000 1.372 24 I CB 0.506 38.307 38.000 -0.333 0.000 1.408 24 I HN 0.401 nan 8.210 nan 0.000 0.516 25 P HA 0.048 nan 4.420 nan 0.000 0.246 25 P C -0.868 176.290 177.300 -0.237 0.000 1.686 25 P CA 0.012 62.945 63.100 -0.278 0.000 0.867 25 P CB -0.423 31.114 31.700 -0.271 0.000 1.733 26 D N -1.863 118.419 120.400 -0.197 0.000 2.607 26 D HA 0.118 4.758 4.640 -0.000 0.000 0.253 26 D C 0.505 176.773 176.300 -0.052 0.000 1.171 26 D CA -0.435 53.488 54.000 -0.128 0.000 1.084 26 D CB -0.070 40.668 40.800 -0.103 0.000 1.203 26 D HN -0.240 nan 8.370 nan 0.000 0.629 27 D N -0.868 119.518 120.400 -0.023 0.000 2.340 27 D HA 0.112 4.752 4.640 -0.000 0.000 0.220 27 D C 0.436 176.748 176.300 0.020 0.000 1.039 27 D CA 0.330 54.329 54.000 -0.002 0.000 0.866 27 D CB 0.375 41.177 40.800 0.003 0.000 0.913 27 D HN 0.359 nan 8.370 nan 0.000 0.523 28 I N 2.220 122.809 120.570 0.032 0.000 2.410 28 I HA 0.017 4.187 4.170 -0.000 0.000 0.288 28 I C 0.130 176.330 176.117 0.139 0.000 1.106 28 I CA -0.084 61.266 61.300 0.083 0.000 1.389 28 I CB -0.266 37.784 38.000 0.084 0.000 1.561 28 I HN -0.215 nan 8.210 nan 0.000 0.605 29 T N -0.506 114.115 114.554 0.112 0.000 3.176 29 T HA 0.349 4.699 4.350 -0.000 0.000 0.301 29 T C 0.108 174.971 174.700 0.271 0.000 1.115 29 T CA -0.558 61.648 62.100 0.176 0.000 1.027 29 T CB 0.075 68.986 68.868 0.072 0.000 1.063 29 T HN 0.352 nan 8.240 nan 0.000 0.669 30 E N 1.955 122.349 120.200 0.323 0.000 2.227 30 E HA 0.362 4.712 4.350 -0.000 0.000 0.268 30 E C 0.037 176.825 176.600 0.314 0.000 0.990 30 E CA -1.137 55.407 56.400 0.241 0.000 0.856 30 E CB 1.616 31.252 29.700 -0.106 0.000 1.159 30 E HN 0.460 nan 8.360 nan 0.000 0.401 31 R N 2.287 122.806 120.500 0.033 0.000 2.449 31 R HA 0.077 4.417 4.340 -0.000 0.000 0.296 31 R C 0.170 176.469 176.300 -0.002 0.000 1.047 31 R CA 0.418 56.413 56.100 -0.177 0.000 1.018 31 R CB 0.081 30.142 30.300 -0.399 0.000 0.962 31 R HN 0.584 nan 8.270 nan 0.000 0.428 32 H N 0.963 120.015 119.070 -0.030 0.000 3.015 32 H HA 0.444 5.000 4.556 -0.000 0.000 0.282 32 H C -1.031 174.336 175.328 0.066 0.000 1.508 32 H CA -0.918 55.155 56.048 0.042 0.000 1.209 32 H CB 1.101 30.954 29.762 0.153 0.000 1.869 32 H HN 0.185 nan 8.280 nan 0.000 0.591 33 I N 1.018 121.738 120.570 0.249 0.000 2.785 33 I HA 0.299 4.469 4.170 -0.000 0.000 0.302 33 I C -0.736 175.523 176.117 0.238 0.000 1.069 33 I CA -0.927 60.471 61.300 0.163 0.000 1.045 33 I CB 1.997 40.110 38.000 0.188 0.000 1.236 33 I HN 0.368 nan 8.210 nan 0.000 0.429 34 L N 4.943 126.261 121.223 0.157 0.000 2.313 34 L HA 0.517 4.857 4.340 -0.000 0.000 0.283 34 L C -0.226 176.697 176.870 0.089 0.000 1.013 34 L CA -0.347 54.582 54.840 0.149 0.000 0.816 34 L CB 1.134 43.281 42.059 0.145 0.000 1.236 34 L HN 0.520 nan 8.230 nan 0.000 0.419 35 K N 3.058 123.502 120.400 0.073 0.000 2.501 35 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 35 K C -1.352 175.316 176.600 0.113 0.000 0.934 35 K CA -0.647 55.675 56.287 0.059 0.000 0.797 35 K CB 1.983 34.460 32.500 -0.038 0.000 1.270 35 K HN 0.612 nan 8.250 nan 0.000 0.431 36 Q N 2.463 122.319 119.800 0.094 0.000 2.245 36 Q HA 0.228 4.568 4.340 -0.000 0.000 0.256 36 Q C -1.106 174.957 176.000 0.105 0.000 0.942 36 Q CA -0.579 55.281 55.803 0.096 0.000 0.896 36 Q CB 1.539 30.310 28.738 0.054 0.000 1.272 36 Q HN 0.527 nan 8.270 nan 0.000 0.442 37 E N 2.178 122.456 120.200 0.129 0.000 2.234 37 E HA 0.297 4.647 4.350 -0.000 0.000 0.266 37 E C -1.268 175.368 176.600 0.060 0.000 0.877 37 E CA -0.406 56.065 56.400 0.118 0.000 0.758 37 E CB 2.089 31.926 29.700 0.228 0.000 1.170 37 E HN 0.707 nan 8.360 nan 0.000 0.415 38 T N -0.509 114.061 114.554 0.027 0.000 2.771 38 T HA 0.608 4.958 4.350 -0.000 0.000 0.281 38 T C -0.005 174.676 174.700 -0.032 0.000 0.982 38 T CA -0.819 61.277 62.100 -0.007 0.000 0.978 38 T CB 1.036 69.896 68.868 -0.013 0.000 0.930 38 T HN 0.111 nan 8.240 nan 0.000 0.447 39 S N 2.309 117.978 115.700 -0.050 0.000 2.478 39 S HA 0.661 5.131 4.470 -0.000 0.000 0.312 39 S C -0.407 174.088 174.600 -0.175 0.000 1.094 39 S CA -0.904 57.228 58.200 -0.113 0.000 1.081 39 S CB 1.414 64.615 63.200 0.002 0.000 1.007 39 S HN 0.741 nan 8.310 nan 0.000 0.475 40 S N 2.401 117.887 115.700 -0.357 0.000 2.519 40 S HA 0.587 5.057 4.470 -0.000 0.000 0.309 40 S C -1.445 172.872 174.600 -0.472 0.000 1.100 40 S CA -0.550 57.484 58.200 -0.275 0.000 1.059 40 S CB 0.503 63.604 63.200 -0.165 0.000 1.008 40 S HN 0.682 nan 8.310 nan 0.000 0.478 41 Y N 1.847 122.158 120.300 0.018 0.000 2.331 41 Y HA 0.365 4.915 4.550 -0.000 0.000 0.326 41 Y C -0.133 175.750 175.900 -0.029 0.000 1.020 41 Y CA -0.972 57.130 58.100 0.003 0.000 1.136 41 Y CB 1.485 39.953 38.460 0.013 0.000 1.157 41 Y HN 0.517 nan 8.280 nan 0.000 0.444 42 N N 5.607 124.390 118.700 0.139 0.000 2.609 42 N HA 0.362 5.102 4.740 -0.000 0.000 0.234 42 N C -1.093 174.427 175.510 0.017 0.000 1.001 42 N CA -0.224 52.855 53.050 0.047 0.000 0.926 42 N CB 1.199 39.703 38.487 0.028 0.000 1.130 42 N HN 0.565 nan 8.380 nan 0.000 0.510 43 L N 0.912 122.099 121.223 -0.061 0.000 2.334 43 L HA 0.389 4.729 4.340 -0.000 0.000 0.277 43 L C 0.893 177.719 176.870 -0.074 0.000 1.075 43 L CA -0.575 54.194 54.840 -0.119 0.000 0.804 43 L CB 1.275 43.103 42.059 -0.385 0.000 1.174 43 L HN 0.173 nan 8.230 nan 0.000 0.438 44 E N 1.589 121.789 120.200 0.000 0.000 2.216 44 E HA 0.351 4.701 4.350 -0.000 0.000 0.279 44 E C -1.012 175.640 176.600 0.086 0.000 0.997 44 E CA -0.662 55.754 56.400 0.027 0.000 0.817 44 E CB 2.431 32.151 29.700 0.034 0.000 1.096 44 E HN 0.261 nan 8.360 nan 0.000 0.393 45 V N 2.632 122.589 119.914 0.072 0.000 2.546 45 V HA 0.092 4.212 4.120 -0.000 0.000 0.284 45 V C 0.761 176.939 176.094 0.139 0.000 1.050 45 V CA -0.536 61.858 62.300 0.156 0.000 0.981 45 V CB 1.166 33.066 31.823 0.129 0.000 0.990 45 V HN 0.777 nan 8.190 nan 0.000 0.474 46 S N 2.850 118.651 115.700 0.168 0.000 2.640 46 S HA 0.178 4.648 4.470 -0.000 0.000 0.262 46 S C 0.960 175.618 174.600 0.097 0.000 1.232 46 S CA -0.170 58.096 58.200 0.110 0.000 0.988 46 S CB 0.569 63.829 63.200 0.101 0.000 1.034 46 S HN 0.709 nan 8.310 nan 0.000 0.569 47 E N 0.976 121.218 120.200 0.069 0.000 2.160 47 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 47 E C 2.194 178.826 176.600 0.054 0.000 0.991 47 E CA 1.595 58.026 56.400 0.052 0.000 0.810 47 E CB -0.504 29.219 29.700 0.037 0.000 0.742 47 E HN 0.779 nan 8.360 nan 0.000 0.466 48 S N -0.476 115.266 115.700 0.070 0.000 2.481 48 S HA 0.035 4.505 4.470 -0.000 0.000 0.231 48 S C 1.897 176.529 174.600 0.054 0.000 0.996 48 S CA 0.431 58.663 58.200 0.053 0.000 0.942 48 S CB -0.411 62.838 63.200 0.081 0.000 0.768 48 S HN 0.436 nan 8.310 nan 0.000 0.520 49 G N 0.231 109.097 108.800 0.111 0.000 2.187 49 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.261 49 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.261 49 G C 0.134 175.148 174.900 0.191 0.000 1.000 49 G CA 0.523 45.716 45.100 0.154 0.000 0.718 49 G HN 0.695 nan 8.290 nan 0.000 0.519 50 S N -1.054 114.724 115.700 0.131 0.000 2.648 50 S HA 0.942 5.412 4.470 -0.000 0.000 0.305 50 S C 0.385 174.895 174.600 -0.151 0.000 1.094 50 S CA 0.221 58.410 58.200 -0.018 0.000 0.983 50 S CB 2.214 65.365 63.200 -0.082 0.000 1.101 50 S HN 1.768 nan 8.310 nan 0.000 0.514 51 G N -0.052 108.403 108.800 -0.576 0.000 2.387 51 G HA2 0.481 4.441 3.960 -0.000 0.000 0.294 51 G HA3 0.481 4.441 3.960 -0.000 0.000 0.294 51 G C -2.186 172.435 174.900 -0.466 0.000 1.509 51 G CA -0.467 44.229 45.100 -0.674 0.000 0.806 51 G HN 0.671 nan 8.290 nan 0.000 0.546 52 V N 0.493 120.328 119.914 -0.131 0.000 2.656 52 V HA 0.684 4.804 4.120 -0.000 0.000 0.307 52 V C -0.830 175.387 176.094 0.205 0.000 1.051 52 V CA -0.857 61.458 62.300 0.025 0.000 0.893 52 V CB 1.693 33.456 31.823 -0.099 0.000 0.999 52 V HN 0.720 nan 8.190 nan 0.000 0.426 53 L N 5.362 126.701 121.223 0.194 0.000 2.305 53 L HA 0.633 4.973 4.340 -0.000 0.000 0.284 53 L C -0.415 176.458 176.870 0.004 0.000 1.013 53 L CA -0.081 54.858 54.840 0.165 0.000 0.819 53 L CB 1.749 43.894 42.059 0.142 0.000 1.227 53 L HN 0.473 nan 8.230 nan 0.000 0.417 54 V N 4.597 124.500 119.914 -0.019 0.000 2.334 54 V HA 0.370 4.490 4.120 -0.000 0.000 0.281 54 V C -0.260 175.607 176.094 -0.378 0.000 1.016 54 V CA -0.561 61.618 62.300 -0.201 0.000 0.832 54 V CB 1.146 32.869 31.823 -0.166 0.000 0.999 54 V HN 0.834 nan 8.190 nan 0.000 0.439 55 C N 4.982 123.997 119.300 -0.475 0.000 2.366 55 C HA 0.619 5.079 4.460 -0.000 0.000 0.345 55 C C 0.101 174.789 174.990 -0.504 0.000 1.209 55 C CA -0.709 58.011 59.018 -0.496 0.000 2.050 55 C CB 0.544 27.805 27.740 -0.798 0.000 2.359 55 C HN 0.762 nan 8.230 nan 0.000 0.527 56 F N 2.131 122.177 119.950 0.159 0.000 2.438 56 F HA 0.288 4.815 4.527 -0.000 0.000 0.315 56 F C -1.198 174.731 175.800 0.214 0.000 1.258 56 F CA -2.009 56.098 58.000 0.177 0.000 1.180 56 F CB 0.045 39.164 39.000 0.198 0.000 1.412 56 F HN 0.473 nan 8.300 nan 0.000 0.544 57 P HA -0.166 nan 4.420 nan 0.000 0.220 57 P C 1.455 178.874 177.300 0.198 0.000 1.144 57 P CA 1.407 64.706 63.100 0.332 0.000 0.800 57 P CB 0.300 32.136 31.700 0.227 0.000 0.772 58 G N -1.014 107.888 108.800 0.170 0.000 3.126 58 G HA2 0.328 4.288 3.960 -0.000 0.000 0.224 58 G HA3 0.328 4.288 3.960 -0.000 0.000 0.224 58 G C 0.529 175.488 174.900 0.098 0.000 1.142 58 G CA 0.190 45.346 45.100 0.094 0.000 0.759 58 G HN 0.431 nan 8.290 nan 0.000 0.550 59 A N 1.213 124.130 122.820 0.162 0.000 2.492 59 A HA 0.536 4.856 4.320 -0.000 0.000 0.254 59 A C -0.889 176.771 177.584 0.127 0.000 1.091 59 A CA -0.879 51.241 52.037 0.139 0.000 0.768 59 A CB 0.955 20.053 19.000 0.165 0.000 1.028 59 A HN 0.105 nan 8.150 nan 0.000 0.498 60 P HA 0.026 nan 4.420 nan 0.000 0.222 60 P C 1.181 178.617 177.300 0.227 0.000 1.153 60 P CA 1.122 64.330 63.100 0.181 0.000 0.798 60 P CB 0.077 31.843 31.700 0.110 0.000 0.796 61 G N 0.108 108.977 108.800 0.115 0.000 2.527 61 G HA2 0.121 4.081 3.960 -0.000 0.000 0.279 61 G HA3 0.121 4.081 3.960 -0.000 0.000 0.279 61 G C 0.724 175.678 174.900 0.091 0.000 1.374 61 G CA 0.302 45.433 45.100 0.051 0.000 1.053 61 G HN 0.183 nan 8.290 nan 0.000 0.539 62 S N -1.576 114.135 115.700 0.018 0.000 2.554 62 S HA 0.251 4.721 4.470 -0.000 0.000 0.226 62 S C 0.758 175.401 174.600 0.070 0.000 0.980 62 S CA -0.362 57.868 58.200 0.050 0.000 0.939 62 S CB 0.395 63.591 63.200 -0.007 0.000 0.832 62 S HN 0.417 nan 8.310 nan 0.000 0.486 63 R N 2.109 122.618 120.500 0.015 0.000 2.230 63 R HA 0.412 4.752 4.340 -0.000 0.000 0.337 63 R C 0.720 177.131 176.300 0.186 0.000 1.063 63 R CA -0.174 55.948 56.100 0.037 0.000 0.935 63 R CB 0.357 30.502 30.300 -0.257 0.000 1.121 63 R HN 0.532 nan 8.270 nan 0.000 0.486 64 I N -1.693 119.103 120.570 0.376 0.000 4.018 64 I HA 0.436 4.606 4.170 -0.000 0.000 0.337 64 I C 0.504 177.094 176.117 0.789 0.000 1.327 64 I CA -0.216 61.402 61.300 0.530 0.000 1.100 64 I CB 0.938 39.188 38.000 0.415 0.000 1.025 64 I HN 0.487 nan 8.210 nan 0.000 0.396 65 G N 1.021 110.287 108.800 0.777 0.000 2.554 65 G HA2 0.767 4.727 3.960 -0.000 0.000 0.306 65 G HA3 0.767 4.727 3.960 -0.000 0.000 0.306 65 G C -2.051 173.226 174.900 0.628 0.000 1.320 65 G CA -0.249 45.226 45.100 0.625 0.000 0.800 65 G HN 0.475 nan 8.290 nan 0.000 0.481 66 A N -0.415 122.602 122.820 0.328 0.000 2.565 66 A HA 0.681 5.001 4.320 -0.000 0.000 0.298 66 A C -1.502 176.164 177.584 0.136 0.000 1.062 66 A CA -0.492 51.669 52.037 0.206 0.000 0.723 66 A CB 1.076 20.232 19.000 0.260 0.000 1.282 66 A HN 1.165 nan 8.150 nan 0.000 0.400 67 H N 1.831 120.783 119.070 -0.198 0.000 2.466 67 H HA 0.670 5.226 4.556 -0.000 0.000 0.338 67 H C -1.642 173.488 175.328 -0.330 0.000 1.091 67 H CA -0.272 55.677 56.048 -0.165 0.000 1.207 67 H CB 0.878 30.522 29.762 -0.198 0.000 1.466 67 H HN 0.625 nan 8.280 nan 0.000 0.493 68 Y N 2.913 122.934 120.300 -0.465 0.000 2.509 68 Y HA 0.446 4.996 4.550 -0.000 0.000 0.341 68 Y C 0.183 175.688 175.900 -0.658 0.000 1.038 68 Y CA -0.841 56.948 58.100 -0.519 0.000 1.089 68 Y CB 1.688 39.930 38.460 -0.364 0.000 1.241 68 Y HN 0.490 nan 8.280 nan 0.000 0.468 69 R N 0.777 121.051 120.500 -0.377 0.000 2.803 69 R HA 0.345 4.685 4.340 -0.000 0.000 0.276 69 R C -1.770 174.387 176.300 -0.239 0.000 0.978 69 R CA -0.954 54.995 56.100 -0.251 0.000 0.939 69 R CB 1.780 31.992 30.300 -0.147 0.000 1.179 69 R HN 0.688 nan 8.270 nan 0.000 0.472 70 W N 2.792 124.041 121.300 -0.085 0.000 2.316 70 W HA 0.150 4.810 4.660 -0.000 0.000 0.311 70 W C 0.465 176.962 176.519 -0.038 0.000 1.217 70 W CA -0.392 56.914 57.345 -0.063 0.000 1.199 70 W CB 0.590 29.999 29.460 -0.085 0.000 1.202 70 W HN 0.539 nan 8.180 nan 0.000 0.528 71 N N 1.757 120.578 118.700 0.202 0.000 2.453 71 N HA 0.108 4.848 4.740 -0.000 0.000 0.253 71 N C 0.937 176.524 175.510 0.129 0.000 1.252 71 N CA 0.309 53.434 53.050 0.124 0.000 0.917 71 N CB 0.504 39.041 38.487 0.085 0.000 1.117 71 N HN 0.564 nan 8.380 nan 0.000 0.442 72 A N 1.074 123.941 122.820 0.078 0.000 2.104 72 A HA -0.288 4.032 4.320 -0.000 0.000 0.223 72 A C 1.752 179.358 177.584 0.036 0.000 1.164 72 A CA 1.819 53.888 52.037 0.052 0.000 0.659 72 A CB -0.794 18.227 19.000 0.034 0.000 0.808 72 A HN 0.794 nan 8.150 nan 0.000 0.465 73 N N -0.658 118.071 118.700 0.048 0.000 2.336 73 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 73 N C 0.038 175.562 175.510 0.022 0.000 1.113 73 N CA 0.402 53.468 53.050 0.028 0.000 0.858 73 N CB -0.147 38.359 38.487 0.031 0.000 0.970 73 N HN 0.374 nan 8.380 nan 0.000 0.471 74 Q N -1.120 118.715 119.800 0.058 0.000 2.480 74 Q HA -0.205 4.135 4.340 -0.000 0.000 0.265 74 Q C 0.419 176.491 176.000 0.119 0.000 1.072 74 Q CA 1.117 56.923 55.803 0.006 0.000 1.018 74 Q CB -2.525 26.074 28.738 -0.232 0.000 1.433 74 Q HN 0.346 nan 8.270 nan 0.000 0.513 75 T N -1.601 113.068 114.554 0.192 0.000 2.852 75 T HA 0.221 4.571 4.350 -0.000 0.000 0.256 75 T C 0.852 175.694 174.700 0.238 0.000 1.038 75 T CA 1.244 63.440 62.100 0.159 0.000 1.141 75 T CB 0.319 69.241 68.868 0.090 0.000 0.869 75 T HN 0.554 nan 8.240 nan 0.000 0.439 76 G N -0.429 108.517 108.800 0.243 0.000 2.749 76 G HA2 0.652 4.612 3.960 -0.000 0.000 0.300 76 G HA3 0.652 4.612 3.960 -0.000 0.000 0.300 76 G C -1.826 172.997 174.900 -0.128 0.000 1.352 76 G CA -0.855 44.292 45.100 0.079 0.000 0.789 76 G HN 0.230 nan 8.290 nan 0.000 0.509 77 L N -0.080 120.952 121.223 -0.319 0.000 2.352 77 L HA 0.587 4.927 4.340 -0.000 0.000 0.269 77 L C -0.290 176.507 176.870 -0.121 0.000 1.034 77 L CA -0.705 53.900 54.840 -0.391 0.000 0.806 77 L CB 1.927 43.682 42.059 -0.506 0.000 1.244 77 L HN 0.498 nan 8.230 nan 0.000 0.447 78 E N 1.627 121.765 120.200 -0.103 0.000 2.220 78 E HA 0.224 4.574 4.350 -0.000 0.000 0.256 78 E C -1.210 175.311 176.600 -0.132 0.000 0.881 78 E CA -0.623 55.739 56.400 -0.063 0.000 0.766 78 E CB 2.088 31.745 29.700 -0.072 0.000 1.187 78 E HN 0.271 nan 8.360 nan 0.000 0.419 79 F N 3.134 122.909 119.950 -0.292 0.000 2.578 79 F HA -0.031 4.496 4.527 -0.000 0.000 0.376 79 F C 0.890 176.426 175.800 -0.440 0.000 1.085 79 F CA 0.610 58.244 58.000 -0.611 0.000 1.260 79 F CB 0.672 39.327 39.000 -0.575 0.000 1.095 79 F HN 0.509 nan 8.300 nan 0.000 0.573 80 D N 2.535 122.138 120.400 -1.328 0.000 2.584 80 D HA 0.103 4.743 4.640 -0.000 0.000 0.254 80 D C -0.554 175.023 176.300 -1.205 0.000 1.085 80 D CA 1.087 54.526 54.000 -0.934 0.000 0.971 80 D CB 0.225 40.699 40.800 -0.543 0.000 1.103 80 D HN 0.706 nan 8.370 nan 0.000 0.453 81 Q N -2.140 116.811 119.800 -1.415 0.000 2.702 81 Q HA 0.293 4.633 4.340 -0.000 0.000 0.289 81 Q C -1.500 174.237 176.000 -0.439 0.000 0.923 81 Q CA -1.038 54.289 55.803 -0.793 0.000 0.787 81 Q CB 0.383 28.941 28.738 -0.300 0.000 1.476 81 Q HN 0.116 nan 8.270 nan 0.000 0.402 82 W N 1.038 122.371 121.300 0.054 0.000 2.150 82 W HA 0.424 5.084 4.660 -0.000 0.000 0.341 82 W C -0.189 176.298 176.519 -0.054 0.000 1.276 82 W CA -0.439 56.985 57.345 0.131 0.000 1.238 82 W CB 0.621 30.187 29.460 0.177 0.000 1.128 82 W HN 0.360 nan 8.180 nan 0.000 0.581 83 L N 3.215 124.608 121.223 0.283 0.000 2.264 83 L HA 0.320 4.660 4.340 -0.000 0.000 0.287 83 L C 0.074 177.200 176.870 0.428 0.000 1.039 83 L CA -0.318 54.578 54.840 0.094 0.000 0.829 83 L CB 0.302 42.443 42.059 0.136 0.000 1.211 83 L HN 0.533 nan 8.230 nan 0.000 0.427 84 E N 1.191 121.712 120.200 0.535 0.000 2.390 84 E HA 0.477 4.827 4.350 -0.000 0.000 0.249 84 E C -0.513 176.282 176.600 0.325 0.000 0.981 84 E CA -0.782 55.843 56.400 0.375 0.000 0.860 84 E CB 1.498 31.351 29.700 0.255 0.000 1.278 84 E HN 0.398 nan 8.360 nan 0.000 0.416 85 T N 0.080 114.742 114.554 0.181 0.000 2.882 85 T HA 0.044 4.394 4.350 -0.000 0.000 0.287 85 T C 1.338 176.068 174.700 0.049 0.000 0.992 85 T CA -0.273 61.890 62.100 0.105 0.000 1.076 85 T CB 1.388 70.309 68.868 0.089 0.000 0.961 85 T HN 0.604 nan 8.240 nan 0.000 0.490 86 S N 1.665 117.362 115.700 -0.005 0.000 2.389 86 S HA -0.230 4.240 4.470 -0.000 0.000 0.231 86 S C 0.790 175.393 174.600 0.006 0.000 1.052 86 S CA 1.029 59.214 58.200 -0.024 0.000 1.053 86 S CB -0.425 62.754 63.200 -0.036 0.000 0.886 86 S HN 0.777 nan 8.310 nan 0.000 0.456 87 Q N 1.044 120.853 119.800 0.016 0.000 2.256 87 Q HA 0.326 4.666 4.340 -0.000 0.000 0.257 87 Q C -1.696 174.312 176.000 0.014 0.000 0.936 87 Q CA -0.696 55.118 55.803 0.019 0.000 0.903 87 Q CB 1.233 29.989 28.738 0.030 0.000 1.263 87 Q HN 0.211 nan 8.270 nan 0.000 0.440 88 D N 3.891 124.298 120.400 0.012 0.000 2.374 88 D HA 0.077 4.717 4.640 -0.000 0.000 0.240 88 D C 0.793 177.098 176.300 0.010 0.000 1.229 88 D CA 0.203 54.203 54.000 0.000 0.000 0.895 88 D CB 0.700 41.496 40.800 -0.006 0.000 1.046 88 D HN 0.654 nan 8.370 nan 0.000 0.498 89 L N 3.616 124.837 121.223 -0.003 0.000 2.201 89 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 89 L C 2.230 179.163 176.870 0.106 0.000 1.105 89 L CA 0.912 55.788 54.840 0.060 0.000 0.775 89 L CB -0.229 41.762 42.059 -0.113 0.000 0.913 89 L HN 0.453 nan 8.230 nan 0.000 0.440 90 K N 0.036 120.445 120.400 0.016 0.000 2.504 90 K HA -0.123 4.197 4.320 -0.000 0.000 0.195 90 K C 1.468 178.049 176.600 -0.031 0.000 1.036 90 K CA 0.811 57.093 56.287 -0.009 0.000 0.984 90 K CB -0.080 32.395 32.500 -0.042 0.000 0.788 90 K HN 0.278 nan 8.250 nan 0.000 0.488 91 K N 0.117 120.497 120.400 -0.034 0.000 2.400 91 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 91 K C 1.487 178.007 176.600 -0.134 0.000 1.033 91 K CA 0.681 56.927 56.287 -0.068 0.000 1.021 91 K CB 0.519 32.988 32.500 -0.051 0.000 0.808 91 K HN 0.271 nan 8.250 nan 0.000 0.505 92 A N 0.107 122.811 122.820 -0.193 0.000 2.226 92 A HA 0.327 4.647 4.320 -0.000 0.000 0.207 92 A C 0.009 177.080 177.584 -0.855 0.000 1.293 92 A CA -0.154 51.555 52.037 -0.547 0.000 0.968 92 A CB 0.541 19.115 19.000 -0.709 0.000 1.044 92 A HN 0.083 nan 8.150 nan 0.000 0.493 93 F N -0.841 119.080 119.950 -0.048 0.000 2.588 93 F HA 0.462 4.989 4.527 -0.000 0.000 0.310 93 F C 0.590 176.349 175.800 -0.068 0.000 1.082 93 F CA -1.036 56.945 58.000 -0.032 0.000 0.929 93 F CB 1.551 40.541 39.000 -0.018 0.000 1.254 93 F HN -0.145 nan 8.300 nan 0.000 0.455 94 N N 0.307 119.070 118.700 0.105 0.000 2.414 94 N HA 0.076 4.816 4.740 -0.000 0.000 0.177 94 N C -0.997 174.300 175.510 -0.356 0.000 1.062 94 N CA 0.594 53.547 53.050 -0.162 0.000 0.890 94 N CB 0.326 38.676 38.487 -0.228 0.000 1.070 94 N HN 0.453 nan 8.380 nan 0.000 0.454 95 Y N -0.782 119.607 120.300 0.148 0.000 2.512 95 Y HA 0.675 5.225 4.550 -0.000 0.000 0.348 95 Y C 0.432 176.479 175.900 0.245 0.000 0.990 95 Y CA -1.138 57.069 58.100 0.178 0.000 1.033 95 Y CB 2.497 41.043 38.460 0.144 0.000 1.259 95 Y HN -0.118 nan 8.280 nan 0.000 0.461 96 G N 1.759 110.815 108.800 0.427 0.000 2.732 96 G HA2 0.713 4.673 3.960 -0.000 0.000 0.296 96 G HA3 0.713 4.673 3.960 -0.000 0.000 0.296 96 G C -1.853 173.106 174.900 0.098 0.000 1.448 96 G CA -1.179 44.089 45.100 0.280 0.000 0.911 96 G HN 0.519 nan 8.290 nan 0.000 0.528 97 R N -0.258 120.189 120.500 -0.090 0.000 2.854 97 R HA 0.668 5.008 4.340 -0.000 0.000 0.271 97 R C -1.132 175.143 176.300 -0.042 0.000 0.996 97 R CA -0.973 55.023 56.100 -0.173 0.000 0.961 97 R CB 2.463 32.493 30.300 -0.450 0.000 1.182 97 R HN 0.394 nan 8.270 nan 0.000 0.479 98 L N 2.707 123.890 121.223 -0.066 0.000 2.264 98 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 98 L C 0.301 177.101 176.870 -0.117 0.000 1.044 98 L CA 0.219 54.964 54.840 -0.159 0.000 0.807 98 L CB 0.805 42.772 42.059 -0.153 0.000 1.192 98 L HN 0.748 nan 8.230 nan 0.000 0.425 99 I N 2.144 122.637 120.570 -0.128 0.000 2.235 99 I HA 0.026 4.196 4.170 -0.000 0.000 0.241 99 I C 0.463 176.584 176.117 0.007 0.000 1.085 99 I CA 0.947 62.252 61.300 0.009 0.000 1.378 99 I CB -0.153 37.870 38.000 0.038 0.000 1.076 99 I HN 0.793 nan 8.210 nan 0.000 0.415 100 S N -0.119 115.524 115.700 -0.095 0.000 2.552 100 S HA 0.646 5.116 4.470 -0.000 0.000 0.272 100 S C -0.721 173.790 174.600 -0.149 0.000 1.150 100 S CA -1.002 57.140 58.200 -0.096 0.000 0.849 100 S CB 2.825 65.978 63.200 -0.077 0.000 1.113 100 S HN 0.289 nan 8.310 nan 0.000 0.458 101 R N 0.581 121.007 120.500 -0.123 0.000 2.739 101 R HA 0.716 5.056 4.340 -0.000 0.000 0.271 101 R C -2.165 174.051 176.300 -0.140 0.000 1.010 101 R CA -0.737 55.263 56.100 -0.167 0.000 0.897 101 R CB 1.757 31.946 30.300 -0.186 0.000 1.236 101 R HN 0.894 nan 8.270 nan 0.000 0.466 102 K N 2.917 123.180 120.400 -0.229 0.000 2.571 102 K HA 0.223 4.543 4.320 -0.000 0.000 0.252 102 K C -2.034 174.426 176.600 -0.235 0.000 0.956 102 K CA -0.610 55.575 56.287 -0.170 0.000 0.822 102 K CB 1.173 33.578 32.500 -0.157 0.000 1.286 102 K HN 0.474 nan 8.250 nan 0.000 0.439 103 Y N 1.502 121.772 120.300 -0.050 0.000 2.342 103 Y HA 0.309 4.859 4.550 -0.000 0.000 0.334 103 Y C 0.177 176.047 175.900 -0.050 0.000 1.067 103 Y CA -0.598 57.493 58.100 -0.016 0.000 1.128 103 Y CB 1.324 39.796 38.460 0.020 0.000 1.200 103 Y HN 0.438 nan 8.280 nan 0.000 0.464 104 D N 4.058 124.524 120.400 0.112 0.000 2.440 104 D HA 0.399 5.039 4.640 -0.000 0.000 0.239 104 D C -1.104 175.243 176.300 0.078 0.000 1.084 104 D CA -0.206 53.828 54.000 0.058 0.000 0.843 104 D CB 0.823 41.641 40.800 0.029 0.000 1.097 104 D HN 0.524 nan 8.370 nan 0.000 0.531 105 I N 4.149 124.761 120.570 0.069 0.000 2.382 105 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 105 I C 0.206 176.345 176.117 0.038 0.000 1.002 105 I CA -0.472 60.860 61.300 0.053 0.000 1.135 105 I CB 1.478 39.510 38.000 0.054 0.000 1.288 105 I HN 0.327 nan 8.210 nan 0.000 0.448 106 Q N 3.904 123.714 119.800 0.017 0.000 2.814 106 Q HA 0.549 4.889 4.340 -0.000 0.000 0.322 106 Q C -1.298 174.693 176.000 -0.015 0.000 0.861 106 Q CA -1.097 54.713 55.803 0.012 0.000 0.773 106 Q CB 1.722 30.475 28.738 0.025 0.000 1.423 106 Q HN 0.531 nan 8.270 nan 0.000 0.495 107 S N -0.200 115.493 115.700 -0.012 0.000 2.462 107 S HA 0.427 4.897 4.470 -0.000 0.000 0.294 107 S C 0.091 174.684 174.600 -0.011 0.000 1.144 107 S CA -0.082 58.103 58.200 -0.025 0.000 1.088 107 S CB 1.155 64.342 63.200 -0.021 0.000 1.009 107 S HN 0.734 nan 8.310 nan 0.000 0.484 108 S N 1.501 117.192 115.700 -0.015 0.000 2.552 108 S HA 0.283 4.753 4.470 -0.000 0.000 0.246 108 S C 0.047 174.644 174.600 -0.005 0.000 1.019 108 S CA -0.613 57.583 58.200 -0.006 0.000 1.045 108 S CB -0.509 62.688 63.200 -0.005 0.000 0.784 108 S HN 0.713 nan 8.310 nan 0.000 0.453 109 T N 2.679 117.230 114.554 -0.006 0.000 2.855 109 T HA 0.637 4.987 4.350 -0.000 0.000 0.281 109 T C 0.104 174.805 174.700 0.002 0.000 1.007 109 T CA -0.639 61.459 62.100 -0.003 0.000 1.009 109 T CB 1.033 69.898 68.868 -0.005 0.000 0.983 109 T HN 0.405 nan 8.240 nan 0.000 0.455 119 G N 0.653 109.466 108.800 0.021 0.000 2.352 119 G HA2 0.373 4.333 3.960 -0.000 0.000 0.303 119 G HA3 0.373 4.333 3.960 -0.000 0.000 0.303 119 G C -1.100 173.830 174.900 0.051 0.000 1.593 119 G CA -0.129 44.991 45.100 0.033 0.000 0.963 119 G HN 0.734 nan 8.290 nan 0.000 0.685 120 T N -1.693 112.899 114.554 0.063 0.000 2.888 120 T HA 0.865 5.215 4.350 -0.000 0.000 0.288 120 T C -0.543 174.301 174.700 0.241 0.000 1.063 120 T CA -0.960 61.213 62.100 0.122 0.000 1.010 120 T CB 2.164 71.100 68.868 0.114 0.000 1.214 120 T HN 0.834 nan 8.240 nan 0.000 0.533 121 L N 1.314 122.706 121.223 0.282 0.000 2.436 121 L HA 0.568 4.908 4.340 -0.000 0.000 0.268 121 L C -1.010 175.976 176.870 0.192 0.000 0.974 121 L CA -1.030 53.990 54.840 0.300 0.000 0.826 121 L CB 2.300 44.470 42.059 0.185 0.000 1.291 121 L HN 0.627 nan 8.230 nan 0.000 0.406 122 N N 1.964 120.676 118.700 0.021 0.000 2.362 122 N HA 0.802 5.542 4.740 -0.000 0.000 0.298 122 N C -1.092 174.338 175.510 -0.133 0.000 1.048 122 N CA -0.297 52.599 53.050 -0.257 0.000 0.858 122 N CB 2.317 40.297 38.487 -0.844 0.000 1.218 122 N HN 0.689 nan 8.380 nan 0.000 0.488 123 A N 0.874 123.636 122.820 -0.096 0.000 2.427 123 A HA 0.895 5.215 4.320 -0.000 0.000 0.298 123 A C -1.388 176.158 177.584 -0.064 0.000 1.036 123 A CA -0.600 51.401 52.037 -0.061 0.000 0.701 123 A CB 1.106 20.095 19.000 -0.018 0.000 1.250 123 A HN 0.669 nan 8.150 nan 0.000 0.412 124 A N 1.133 123.919 122.820 -0.058 0.000 2.520 124 A HA 0.778 5.098 4.320 -0.000 0.000 0.298 124 A C -0.439 177.139 177.584 -0.009 0.000 1.051 124 A CA -0.382 51.633 52.037 -0.037 0.000 0.690 124 A CB 1.275 20.253 19.000 -0.037 0.000 1.281 124 A HN 0.817 nan 8.150 nan 0.000 0.402 125 T N 2.537 117.092 114.554 0.002 0.000 2.762 125 T HA 0.423 4.773 4.350 -0.000 0.000 0.303 125 T C -0.685 174.060 174.700 0.075 0.000 0.977 125 T CA 0.333 62.445 62.100 0.020 0.000 0.961 125 T CB -0.586 68.274 68.868 -0.012 0.000 0.944 125 T HN 0.442 nan 8.240 nan 0.000 0.481 126 F N 3.233 123.150 119.950 -0.055 0.000 2.410 126 F HA 0.284 4.811 4.527 -0.000 0.000 0.348 126 F C 0.948 176.733 175.800 -0.025 0.000 1.106 126 F CA -1.195 56.781 58.000 -0.041 0.000 1.163 126 F CB 0.830 39.804 39.000 -0.043 0.000 1.129 126 F HN 0.523 nan 8.300 nan 0.000 0.516 127 E N 4.649 124.439 120.200 -0.682 0.000 2.320 127 E HA 0.305 4.655 4.350 -0.000 0.000 0.234 127 E C 0.347 176.562 176.600 -0.641 0.000 1.290 127 E CA -0.218 55.885 56.400 -0.495 0.000 1.545 127 E CB 0.059 29.573 29.700 -0.310 0.000 1.379 127 E HN 0.812 nan 8.360 nan 0.000 0.437 128 G N -0.037 108.260 108.800 -0.838 0.000 2.782 128 G HA2 0.323 4.283 3.960 -0.000 0.000 0.304 128 G HA3 0.323 4.283 3.960 -0.000 0.000 0.304 128 G C -0.598 174.363 174.900 0.100 0.000 1.315 128 G CA -0.574 44.298 45.100 -0.381 0.000 0.791 128 G HN 0.089 nan 8.290 nan 0.000 0.519 129 S N -0.580 115.273 115.700 0.255 0.000 2.645 129 S HA 0.222 4.692 4.470 -0.000 0.000 0.266 129 S C 1.471 176.272 174.600 0.335 0.000 1.258 129 S CA -0.515 57.861 58.200 0.292 0.000 0.990 129 S CB 1.472 64.831 63.200 0.265 0.000 0.967 129 S HN 0.661 nan 8.310 nan 0.000 0.556 130 L N 2.441 123.815 121.223 0.252 0.000 2.079 130 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 130 L C 2.301 179.206 176.870 0.059 0.000 1.081 130 L CA 2.323 57.243 54.840 0.133 0.000 0.752 130 L CB -1.216 40.930 42.059 0.146 0.000 0.896 130 L HN 0.827 nan 8.230 nan 0.000 0.433 131 S N -1.842 113.923 115.700 0.109 0.000 2.489 131 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 131 S C 1.598 176.237 174.600 0.066 0.000 0.995 131 S CA 0.784 59.022 58.200 0.063 0.000 0.934 131 S CB -0.564 62.686 63.200 0.082 0.000 0.771 131 S HN 0.646 nan 8.310 nan 0.000 0.522 132 E N 0.757 121.042 120.200 0.141 0.000 2.502 132 E HA 0.170 4.520 4.350 -0.000 0.000 0.194 132 E C -0.521 176.087 176.600 0.014 0.000 1.062 132 E CA -0.155 56.353 56.400 0.181 0.000 0.867 132 E CB 0.373 30.288 29.700 0.359 0.000 0.888 132 E HN 0.325 nan 8.360 nan 0.000 0.510 133 V N 2.129 121.913 119.914 -0.217 0.000 2.508 133 V HA -0.036 4.084 4.120 -0.000 0.000 0.281 133 V C 1.161 177.115 176.094 -0.233 0.000 1.041 133 V CA 0.320 62.342 62.300 -0.464 0.000 1.016 133 V CB 1.226 32.750 31.823 -0.497 0.000 0.984 133 V HN 0.202 nan 8.190 nan 0.000 0.478 134 E N 2.277 122.356 120.200 -0.202 0.000 2.028 134 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 134 E C 0.711 177.251 176.600 -0.099 0.000 0.988 134 E CA 0.957 57.293 56.400 -0.107 0.000 0.799 134 E CB 0.168 29.825 29.700 -0.071 0.000 0.755 134 E HN 0.568 nan 8.360 nan 0.000 0.447 135 S N -1.024 114.606 115.700 -0.115 0.000 2.569 135 S HA 0.407 4.877 4.470 -0.000 0.000 0.280 135 S C -0.444 174.106 174.600 -0.083 0.000 1.111 135 S CA -0.696 57.460 58.200 -0.073 0.000 0.887 135 S CB 1.129 64.306 63.200 -0.038 0.000 1.095 135 S HN 0.119 nan 8.310 nan 0.000 0.476 136 L N 2.672 123.881 121.223 -0.023 0.000 2.910 136 L HA 0.259 4.599 4.340 -0.000 0.000 0.252 136 L C 0.275 177.253 176.870 0.180 0.000 1.195 136 L CA -0.065 54.777 54.840 0.003 0.000 1.003 136 L CB 0.400 42.404 42.059 -0.091 0.000 1.328 136 L HN 0.613 nan 8.230 nan 0.000 0.540 137 T N -0.856 113.781 114.554 0.138 0.000 2.939 137 T HA -0.170 4.180 4.350 -0.000 0.000 0.319 137 T C 0.899 175.656 174.700 0.096 0.000 1.082 137 T CA 0.324 62.487 62.100 0.106 0.000 1.133 137 T CB 0.749 69.626 68.868 0.015 0.000 1.019 137 T HN 0.208 nan 8.240 nan 0.000 0.548 138 Y N 3.275 123.552 120.300 -0.039 0.000 2.151 138 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 138 Y C 2.148 178.027 175.900 -0.034 0.000 1.166 138 Y CA 1.822 59.902 58.100 -0.034 0.000 1.163 138 Y CB -0.133 38.274 38.460 -0.087 0.000 0.974 138 Y HN 0.604 nan 8.280 nan 0.000 0.511 139 N N -0.526 118.207 118.700 0.055 0.000 2.416 139 N HA -0.102 4.638 4.740 -0.000 0.000 0.177 139 N C 1.866 177.333 175.510 -0.071 0.000 1.036 139 N CA 1.220 54.259 53.050 -0.018 0.000 0.901 139 N CB -0.254 38.264 38.487 0.053 0.000 0.976 139 N HN 0.494 nan 8.380 nan 0.000 0.444 140 S N 0.597 116.263 115.700 -0.057 0.000 2.562 140 S HA 0.129 4.599 4.470 -0.000 0.000 0.221 140 S C 1.933 176.480 174.600 -0.088 0.000 0.975 140 S CA -0.080 58.084 58.200 -0.060 0.000 0.918 140 S CB -0.309 62.865 63.200 -0.045 0.000 0.772 140 S HN 0.174 nan 8.310 nan 0.000 0.531 141 L N 0.340 121.490 121.223 -0.121 0.000 2.131 141 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 141 L C 2.359 179.168 176.870 -0.102 0.000 1.092 141 L CA 1.008 55.770 54.840 -0.129 0.000 0.759 141 L CB -0.581 41.377 42.059 -0.169 0.000 0.903 141 L HN 0.382 nan 8.230 nan 0.000 0.435 142 M N -0.526 119.011 119.600 -0.106 0.000 2.549 142 M HA -0.064 4.416 4.480 -0.000 0.000 0.260 142 M C 1.653 177.927 176.300 -0.043 0.000 1.076 142 M CA 0.994 56.248 55.300 -0.076 0.000 1.090 142 M CB -0.909 31.644 32.600 -0.078 0.000 1.418 142 M HN 0.259 nan 8.290 nan 0.000 0.486 143 S N -1.399 114.278 115.700 -0.037 0.000 2.601 143 S HA 0.325 4.795 4.470 -0.000 0.000 0.244 143 S C 1.294 175.901 174.600 0.011 0.000 1.001 143 S CA -0.410 57.782 58.200 -0.014 0.000 0.984 143 S CB -0.259 62.931 63.200 -0.017 0.000 0.842 143 S HN 0.374 nan 8.310 nan 0.000 0.474 144 L N 0.810 122.046 121.223 0.022 0.000 2.446 144 L HA 0.267 4.607 4.340 -0.000 0.000 0.219 144 L C 1.007 177.997 176.870 0.200 0.000 1.116 144 L CA 0.695 55.608 54.840 0.121 0.000 0.844 144 L CB 0.317 42.426 42.059 0.084 0.000 0.970 144 L HN 0.399 nan 8.230 nan 0.000 0.457 145 T N -2.540 112.065 114.554 0.085 0.000 2.885 145 T HA 0.233 4.583 4.350 -0.000 0.000 0.322 145 T C 0.387 175.094 174.700 0.011 0.000 1.387 145 T CA -0.396 61.732 62.100 0.047 0.000 1.041 145 T CB 1.831 70.716 68.868 0.028 0.000 1.287 145 T HN -0.149 nan 8.240 nan 0.000 0.491 146 T N 1.709 116.261 114.554 -0.003 0.000 3.023 146 T HA 0.165 4.515 4.350 -0.000 0.000 0.249 146 T C 0.729 175.415 174.700 -0.023 0.000 1.050 146 T CA -0.169 61.924 62.100 -0.012 0.000 1.088 146 T CB -0.074 68.788 68.868 -0.010 0.000 0.946 146 T HN 0.578 nan 8.240 nan 0.000 0.480 147 N N 3.808 122.490 118.700 -0.030 0.000 2.332 147 N HA -0.016 4.724 4.740 -0.000 0.000 0.274 147 N C -1.724 173.755 175.510 -0.051 0.000 1.351 147 N CA -0.557 52.468 53.050 -0.042 0.000 0.875 147 N CB 0.989 39.446 38.487 -0.050 0.000 1.140 147 N HN 0.267 nan 8.380 nan 0.000 0.489 148 P HA -0.195 nan 4.420 nan 0.000 0.216 148 P C 0.733 177.980 177.300 -0.089 0.000 1.153 148 P CA 1.529 64.594 63.100 -0.059 0.000 0.858 148 P CB 0.251 31.921 31.700 -0.051 0.000 0.789 149 Q N -0.873 118.861 119.800 -0.110 0.000 2.291 149 Q HA 0.064 4.404 4.340 -0.000 0.000 0.211 149 Q C 0.131 176.026 176.000 -0.175 0.000 0.925 149 Q CA 0.598 56.295 55.803 -0.176 0.000 0.949 149 Q CB -0.372 28.245 28.738 -0.201 0.000 1.015 149 Q HN 0.265 nan 8.270 nan 0.000 0.477 150 D N 1.130 121.460 120.400 -0.117 0.000 2.469 150 D HA 0.126 4.766 4.640 -0.000 0.000 0.215 150 D C -0.152 176.104 176.300 -0.073 0.000 1.154 150 D CA 0.217 54.162 54.000 -0.092 0.000 0.832 150 D CB 0.697 41.459 40.800 -0.063 0.000 1.008 150 D HN 0.408 nan 8.370 nan 0.000 0.506 151 K N -1.385 118.965 120.400 -0.082 0.000 2.533 151 K HA 0.681 5.001 4.320 -0.000 0.000 0.272 151 K C -1.355 175.205 176.600 -0.067 0.000 0.985 151 K CA -0.866 55.382 56.287 -0.066 0.000 0.876 151 K CB 2.399 34.865 32.500 -0.055 0.000 1.452 151 K HN -0.273 nan 8.250 nan 0.000 0.439 152 V N 2.088 121.971 119.914 -0.052 0.000 2.711 152 V HA 0.327 4.447 4.120 -0.000 0.000 0.304 152 V C -1.641 174.434 176.094 -0.032 0.000 1.097 152 V CA -0.837 61.445 62.300 -0.030 0.000 0.906 152 V CB 1.949 33.771 31.823 -0.001 0.000 1.015 152 V HN 1.011 nan 8.190 nan 0.000 0.427 153 N N 3.208 121.896 118.700 -0.019 0.000 2.370 153 N HA 0.383 5.123 4.740 -0.000 0.000 0.303 153 N C -0.125 175.406 175.510 0.036 0.000 1.103 153 N CA -0.743 52.295 53.050 -0.019 0.000 0.848 153 N CB 1.004 39.474 38.487 -0.028 0.000 1.235 153 N HN 0.464 nan 8.380 nan 0.000 0.496 154 N N -0.393 118.358 118.700 0.085 0.000 2.686 154 N HA -0.244 4.496 4.740 -0.000 0.000 0.261 154 N C -1.043 174.529 175.510 0.102 0.000 1.001 154 N CA 0.721 53.853 53.050 0.137 0.000 0.764 154 N CB -0.771 37.784 38.487 0.114 0.000 0.898 154 N HN 0.830 nan 8.380 nan 0.000 0.544 155 Q N 0.584 120.447 119.800 0.106 0.000 2.274 155 Q HA 0.461 4.801 4.340 -0.000 0.000 0.256 155 Q C -0.093 175.965 176.000 0.098 0.000 0.927 155 Q CA -0.589 55.269 55.803 0.092 0.000 0.939 155 Q CB 0.729 29.520 28.738 0.088 0.000 1.201 155 Q HN 0.361 nan 8.270 nan 0.000 0.426 156 L N 4.396 125.666 121.223 0.078 0.000 2.540 156 L HA -0.015 4.325 4.340 -0.000 0.000 0.276 156 L C 1.121 178.032 176.870 0.069 0.000 1.212 156 L CA -0.433 54.448 54.840 0.068 0.000 0.893 156 L CB 0.220 42.311 42.059 0.053 0.000 1.138 156 L HN 0.634 nan 8.230 nan 0.000 0.491 157 V N 2.160 122.115 119.914 0.067 0.000 2.568 157 V HA -0.245 3.875 4.120 -0.000 0.000 0.253 157 V C 2.224 178.342 176.094 0.040 0.000 1.072 157 V CA 2.242 64.576 62.300 0.057 0.000 1.084 157 V CB -0.800 31.051 31.823 0.046 0.000 0.676 157 V HN 0.996 nan 8.190 nan 0.000 0.469 158 T N -0.400 114.176 114.554 0.037 0.000 2.737 158 T HA -0.193 4.157 4.350 -0.000 0.000 0.265 158 T C 1.939 176.662 174.700 0.038 0.000 1.038 158 T CA 1.437 63.556 62.100 0.031 0.000 1.144 158 T CB -0.164 68.721 68.868 0.028 0.000 0.866 158 T HN 0.479 nan 8.240 nan 0.000 0.434 159 K N 0.450 120.879 120.400 0.048 0.000 2.103 159 K HA 0.261 4.581 4.320 -0.000 0.000 0.204 159 K C 1.130 177.769 176.600 0.065 0.000 1.052 159 K CA 0.520 56.840 56.287 0.056 0.000 0.945 159 K CB -0.150 32.387 32.500 0.062 0.000 0.722 159 K HN 0.474 nan 8.250 nan 0.000 0.443 160 G N 0.277 109.118 108.800 0.067 0.000 2.690 160 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 160 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 160 G C -1.042 173.911 174.900 0.088 0.000 1.277 160 G CA -0.945 44.197 45.100 0.070 0.000 0.799 160 G HN 0.007 nan 8.290 nan 0.000 0.613 161 V N 1.168 121.132 119.914 0.085 0.000 2.604 161 V HA 0.781 4.901 4.120 -0.000 0.000 0.305 161 V C 0.513 176.657 176.094 0.083 0.000 1.043 161 V CA -0.310 62.048 62.300 0.098 0.000 0.888 161 V CB 2.186 34.061 31.823 0.087 0.000 0.995 161 V HN 1.064 nan 8.190 nan 0.000 0.429 162 T N 4.066 118.678 114.554 0.096 0.000 2.794 162 T HA 0.524 4.874 4.350 -0.000 0.000 0.280 162 T C -0.479 174.266 174.700 0.074 0.000 0.987 162 T CA -0.282 61.811 62.100 -0.012 0.000 0.993 162 T CB 1.472 70.164 68.868 -0.294 0.000 0.939 162 T HN 0.344 nan 8.240 nan 0.000 0.449 163 V N 5.116 125.074 119.914 0.074 0.000 2.328 163 V HA 0.426 4.546 4.120 -0.000 0.000 0.278 163 V C -0.374 175.815 176.094 0.159 0.000 1.021 163 V CA -0.758 61.631 62.300 0.148 0.000 0.838 163 V CB 1.058 32.952 31.823 0.119 0.000 0.999 163 V HN 0.603 nan 8.190 nan 0.000 0.447 164 L N 4.899 126.225 121.223 0.172 0.000 2.325 164 L HA 0.568 4.908 4.340 -0.000 0.000 0.278 164 L C -0.003 176.946 176.870 0.133 0.000 1.023 164 L CA -0.167 54.746 54.840 0.121 0.000 0.811 164 L CB 1.727 43.922 42.059 0.227 0.000 1.249 164 L HN 0.694 nan 8.230 nan 0.000 0.431 165 N N 4.162 122.911 118.700 0.083 0.000 2.420 165 N HA 0.341 5.081 4.740 -0.000 0.000 0.249 165 N C -1.404 174.119 175.510 0.021 0.000 1.033 165 N CA -0.186 52.900 53.050 0.060 0.000 0.944 165 N CB 0.362 38.877 38.487 0.046 0.000 1.113 165 N HN 0.588 nan 8.380 nan 0.000 0.502 166 L N 4.826 126.058 121.223 0.015 0.000 2.265 166 L HA 0.438 4.778 4.340 -0.000 0.000 0.288 166 L C -1.752 175.077 176.870 -0.069 0.000 1.058 166 L CA -2.030 52.798 54.840 -0.021 0.000 0.809 166 L CB 0.926 42.978 42.059 -0.013 0.000 1.179 166 L HN 0.447 nan 8.230 nan 0.000 0.429 167 P HA -0.111 nan 4.420 nan 0.000 0.259 167 P C 0.172 177.312 177.300 -0.267 0.000 1.163 167 P CA 0.347 63.324 63.100 -0.204 0.000 0.760 167 P CB 0.354 31.857 31.700 -0.329 0.000 0.762 168 T N 2.575 116.999 114.554 -0.216 0.000 3.379 168 T HA 0.514 4.864 4.350 -0.000 0.000 0.274 168 T C 0.317 174.872 174.700 -0.242 0.000 1.555 168 T CA 0.244 62.229 62.100 -0.193 0.000 1.297 168 T CB -1.575 67.229 68.868 -0.107 0.000 1.132 168 T HN 0.760 nan 8.240 nan 0.000 0.722 169 G N 2.237 110.783 108.800 -0.423 0.000 2.697 169 G HA2 0.075 4.035 3.960 -0.000 0.000 0.686 169 G HA3 0.075 4.035 3.960 -0.000 0.000 0.686 169 G C -0.939 173.648 174.900 -0.521 0.000 1.179 169 G CA -0.887 43.968 45.100 -0.409 0.000 0.765 169 G HN 0.432 nan 8.290 nan 0.000 0.649 170 F N -0.022 119.934 119.950 0.009 0.000 2.544 170 F HA 0.717 5.244 4.527 -0.000 0.000 0.378 170 F C 1.345 177.133 175.800 -0.020 0.000 1.112 170 F CA 0.255 58.255 58.000 0.001 0.000 1.115 170 F CB 0.574 39.579 39.000 0.008 0.000 1.436 170 F HN 0.521 nan 8.300 nan 0.000 0.496 171 D N 0.078 120.592 120.400 0.190 0.000 2.811 171 D HA -0.185 4.455 4.640 -0.000 0.000 0.231 171 D C -0.450 175.872 176.300 0.037 0.000 1.157 171 D CA 0.520 54.567 54.000 0.079 0.000 0.716 171 D CB -0.884 39.961 40.800 0.076 0.000 1.077 171 D HN 0.590 nan 8.370 nan 0.000 0.428 172 K N -0.029 120.379 120.400 0.013 0.000 2.218 172 K HA 0.574 4.894 4.320 -0.000 0.000 0.276 172 K C -2.435 174.141 176.600 -0.041 0.000 1.022 172 K CA -1.446 54.832 56.287 -0.015 0.000 0.946 172 K CB 1.310 33.792 32.500 -0.031 0.000 1.000 172 K HN -0.062 nan 8.250 nan 0.000 0.468 173 P HA 0.041 nan 4.420 nan 0.000 0.279 173 P C -1.066 176.249 177.300 0.024 0.000 1.252 173 P CA -0.470 62.651 63.100 0.035 0.000 0.811 173 P CB 0.357 32.095 31.700 0.064 0.000 1.035 174 Y N 0.282 120.601 120.300 0.031 0.000 2.677 174 Y HA 0.061 4.611 4.550 -0.000 0.000 0.335 174 Y C 1.140 177.136 175.900 0.160 0.000 1.162 174 Y CA 0.454 58.602 58.100 0.081 0.000 1.483 174 Y CB -0.066 38.411 38.460 0.029 0.000 1.209 174 Y HN 0.043 nan 8.280 nan 0.000 0.528 175 V N 5.137 125.211 119.914 0.267 0.000 2.732 175 V HA 0.214 4.334 4.120 -0.000 0.000 0.297 175 V C 0.179 176.452 176.094 0.298 0.000 1.060 175 V CA -0.846 61.591 62.300 0.228 0.000 1.038 175 V CB 1.388 33.283 31.823 0.120 0.000 1.003 175 V HN 0.589 nan 8.190 nan 0.000 0.481 176 R N 4.031 124.642 120.500 0.185 0.000 2.248 176 R HA 0.375 4.715 4.340 -0.000 0.000 0.328 176 R C -0.463 175.787 176.300 -0.084 0.000 1.067 176 R CA -0.080 55.968 56.100 -0.086 0.000 0.924 176 R CB -0.117 30.106 30.300 -0.129 0.000 1.013 176 R HN 0.627 nan 8.270 nan 0.000 0.454 177 L N 2.966 124.124 121.223 -0.109 0.000 2.476 177 L HA 0.134 4.474 4.340 -0.000 0.000 0.264 177 L C 0.434 177.240 176.870 -0.107 0.000 1.224 177 L CA 0.178 54.973 54.840 -0.075 0.000 0.821 177 L CB 0.405 42.434 42.059 -0.049 0.000 1.101 177 L HN 0.597 nan 8.230 nan 0.000 0.488 178 E N 1.422 121.572 120.200 -0.084 0.000 2.127 178 E HA 0.058 4.408 4.350 -0.000 0.000 0.262 178 E C -0.899 175.654 176.600 -0.078 0.000 1.144 178 E CA -0.433 55.917 56.400 -0.083 0.000 1.144 178 E CB 0.057 29.712 29.700 -0.075 0.000 1.297 178 E HN 0.444 nan 8.360 nan 0.000 0.469 179 D N 1.373 121.718 120.400 -0.090 0.000 2.344 179 D HA 0.001 4.641 4.640 -0.000 0.000 0.244 179 D C 0.066 176.327 176.300 -0.065 0.000 1.134 179 D CA -0.299 53.655 54.000 -0.077 0.000 0.930 179 D CB 1.183 41.929 40.800 -0.089 0.000 1.175 179 D HN 0.207 nan 8.370 nan 0.000 0.437 180 E N -0.109 120.058 120.200 -0.055 0.000 2.266 180 E HA 0.256 4.606 4.350 -0.000 0.000 0.277 180 E C -0.658 175.917 176.600 -0.042 0.000 1.018 180 E CA -0.632 55.742 56.400 -0.044 0.000 0.840 180 E CB 0.845 30.523 29.700 -0.038 0.000 1.082 180 E HN 0.439 nan 8.360 nan 0.000 0.395 181 T N 4.192 118.725 114.554 -0.034 0.000 2.922 181 T HA 0.325 4.675 4.350 -0.000 0.000 0.285 181 T C -2.341 172.344 174.700 -0.025 0.000 1.005 181 T CA -1.498 60.585 62.100 -0.029 0.000 1.061 181 T CB 1.010 69.864 68.868 -0.023 0.000 1.007 181 T HN 0.428 nan 8.240 nan 0.000 0.502 182 P HA 0.096 nan 4.420 nan 0.000 0.263 182 P C -0.312 176.978 177.300 -0.015 0.000 1.175 182 P CA 0.180 63.269 63.100 -0.019 0.000 0.761 182 P CB 0.373 32.062 31.700 -0.017 0.000 0.794 183 Q N 0.545 120.336 119.800 -0.014 0.000 2.333 183 Q HA 0.669 5.009 4.340 -0.000 0.000 0.266 183 Q C 0.388 176.382 176.000 -0.009 0.000 1.053 183 Q CA -1.051 54.746 55.803 -0.011 0.000 0.890 183 Q CB 1.589 30.321 28.738 -0.011 0.000 1.337 183 Q HN 0.510 nan 8.270 nan 0.000 0.474 184 G N -0.202 108.594 108.800 -0.007 0.000 2.462 184 G HA2 0.391 4.351 3.960 -0.000 0.000 0.319 184 G HA3 0.391 4.351 3.960 -0.000 0.000 0.319 184 G C 0.186 175.082 174.900 -0.006 0.000 1.171 184 G CA -0.492 44.605 45.100 -0.006 0.000 0.920 184 G HN 0.561 nan 8.290 nan 0.000 0.499 185 L N -0.410 120.810 121.223 -0.005 0.000 2.240 185 L HA -0.019 4.321 4.340 -0.000 0.000 0.211 185 L C 2.320 179.188 176.870 -0.003 0.000 1.106 185 L CA 0.671 55.509 54.840 -0.005 0.000 0.793 185 L CB -0.006 42.050 42.059 -0.004 0.000 0.927 185 L HN 0.471 nan 8.230 nan 0.000 0.446 186 Q N -0.382 119.416 119.800 -0.003 0.000 2.387 186 Q HA 0.080 4.420 4.340 -0.000 0.000 0.211 186 Q C 0.353 176.352 176.000 -0.001 0.000 0.952 186 Q CA 0.076 55.878 55.803 -0.002 0.000 0.957 186 Q CB -0.290 28.447 28.738 -0.001 0.000 1.002 186 Q HN 0.180 nan 8.270 nan 0.000 0.502 187 S N 0.434 116.133 115.700 -0.002 0.000 2.610 187 S HA 0.315 4.785 4.470 -0.000 0.000 0.273 187 S C 0.369 174.968 174.600 -0.001 0.000 1.274 187 S CA -0.716 57.483 58.200 -0.002 0.000 1.023 187 S CB 0.639 63.837 63.200 -0.003 0.000 0.962 187 S HN 0.348 nan 8.310 nan 0.000 0.523 188 M N 2.654 122.254 119.600 -0.000 0.000 2.235 188 M HA -0.042 4.438 4.480 -0.000 0.000 0.316 188 M C 0.353 176.653 176.300 -0.000 0.000 1.035 188 M CA 0.436 55.736 55.300 0.001 0.000 1.084 188 M CB 0.054 32.655 32.600 0.002 0.000 1.529 188 M HN 0.502 nan 8.290 nan 0.000 0.440 189 N N 1.439 120.139 118.700 0.000 0.000 2.401 189 N HA 0.228 4.968 4.740 -0.000 0.000 0.255 189 N C 0.702 176.212 175.510 0.000 0.000 1.110 189 N CA 0.928 53.978 53.050 0.000 0.000 0.949 189 N CB 0.965 39.453 38.487 0.001 0.000 1.110 189 N HN 0.902 nan 8.380 nan 0.000 0.490 190 G N 0.945 109.745 108.800 -0.001 0.000 2.213 190 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.226 190 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.226 190 G C 0.156 175.054 174.900 -0.003 0.000 0.992 190 G CA 0.046 45.145 45.100 -0.001 0.000 0.632 190 G HN 0.830 nan 8.290 nan 0.000 0.511 191 A N 0.694 123.513 122.820 -0.002 0.000 2.331 191 A HA 0.744 5.064 4.320 -0.000 0.000 0.283 191 A C 0.349 177.929 177.584 -0.006 0.000 1.142 191 A CA 0.807 52.842 52.037 -0.003 0.000 0.812 191 A CB 0.531 19.531 19.000 -0.001 0.000 1.074 191 A HN 1.189 nan 8.150 nan 0.000 0.497 192 K N 1.733 122.128 120.400 -0.009 0.000 2.556 192 K HA 0.671 4.991 4.320 -0.000 0.000 0.274 192 K C -1.253 175.339 176.600 -0.013 0.000 0.966 192 K CA -0.743 55.536 56.287 -0.012 0.000 0.865 192 K CB 1.715 34.206 32.500 -0.016 0.000 1.444 192 K HN 0.663 nan 8.250 nan 0.000 0.433 193 M N 2.406 121.997 119.600 -0.015 0.000 2.383 193 M HA 0.435 4.915 4.480 -0.000 0.000 0.325 193 M C -1.453 174.834 176.300 -0.022 0.000 1.092 193 M CA -0.579 54.711 55.300 -0.016 0.000 0.961 193 M CB 1.745 34.339 32.600 -0.012 0.000 1.672 193 M HN 0.802 nan 8.290 nan 0.000 0.438 194 R N 2.934 123.419 120.500 -0.025 0.000 2.807 194 R HA 0.568 4.908 4.340 -0.000 0.000 0.276 194 R C -1.228 175.051 176.300 -0.035 0.000 0.979 194 R CA -0.929 55.150 56.100 -0.035 0.000 0.928 194 R CB 1.665 31.940 30.300 -0.042 0.000 1.191 194 R HN 0.734 nan 8.270 nan 0.000 0.471 195 C N 3.266 122.538 119.300 -0.047 0.000 2.252 195 C HA 0.305 4.765 4.460 -0.000 0.000 0.342 195 C C 0.836 175.791 174.990 -0.058 0.000 1.110 195 C CA -0.018 58.972 59.018 -0.047 0.000 1.581 195 C CB -1.095 26.607 27.740 -0.063 0.000 2.087 195 C HN 0.852 nan 8.230 nan 0.000 0.500 196 T N 3.019 117.551 114.554 -0.037 0.000 2.849 196 T HA 0.651 5.001 4.350 -0.000 0.000 0.276 196 T C 0.397 175.083 174.700 -0.023 0.000 0.971 196 T CA -0.412 61.666 62.100 -0.037 0.000 0.949 196 T CB 1.136 69.987 68.868 -0.028 0.000 1.093 196 T HN 1.048 nan 8.240 nan 0.000 0.545 197 A N -0.002 122.805 122.820 -0.021 0.000 2.524 197 A HA 0.564 4.884 4.320 -0.000 0.000 0.250 197 A C 1.150 178.743 177.584 0.014 0.000 1.078 197 A CA 0.011 52.048 52.037 0.000 0.000 0.761 197 A CB -0.764 18.232 19.000 -0.006 0.000 1.012 197 A HN 1.398 nan 8.150 nan 0.000 0.500 198 A N 3.147 125.986 122.820 0.032 0.000 1.937 198 A HA 0.369 4.689 4.320 -0.000 0.000 0.198 198 A C 0.735 178.342 177.584 0.038 0.000 1.635 198 A CA -0.081 51.976 52.037 0.034 0.000 1.111 198 A CB -0.192 18.832 19.000 0.040 0.000 1.165 198 A HN 0.695 nan 8.150 nan 0.000 0.460 199 I N 1.419 122.020 120.570 0.052 0.000 2.710 199 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 199 I C 1.166 177.302 176.117 0.032 0.000 1.181 199 I CA 0.624 61.953 61.300 0.049 0.000 1.430 199 I CB 0.852 38.894 38.000 0.070 0.000 1.367 199 I HN 0.589 nan 8.210 nan 0.000 0.577 200 A N 6.821 129.654 122.820 0.022 0.000 2.091 200 A HA -0.135 4.185 4.320 -0.000 0.000 0.270 200 A C -2.301 175.284 177.584 0.003 0.000 1.368 200 A CA -0.349 51.693 52.037 0.009 0.000 0.745 200 A CB -1.729 17.277 19.000 0.009 0.000 1.173 200 A HN 0.481 nan 8.150 nan 0.000 0.322 201 P HA 0.323 nan 4.420 nan 0.000 0.276 201 P C -0.142 177.140 177.300 -0.030 0.000 1.244 201 P CA -0.478 62.620 63.100 -0.003 0.000 0.801 201 P CB 0.800 32.502 31.700 0.003 0.000 1.006 202 R N 1.844 122.325 120.500 -0.032 0.000 2.294 202 R HA 0.362 4.702 4.340 -0.000 0.000 0.319 202 R C -0.149 176.067 176.300 -0.140 0.000 0.984 202 R CA -0.676 55.360 56.100 -0.107 0.000 0.861 202 R CB 0.812 31.061 30.300 -0.084 0.000 1.104 202 R HN 0.506 nan 8.270 nan 0.000 0.451 203 R N 4.713 125.061 120.500 -0.254 0.000 2.451 203 R HA 0.218 4.558 4.340 -0.000 0.000 0.307 203 R C -1.629 174.422 176.300 -0.415 0.000 0.965 203 R CA -0.454 55.498 56.100 -0.247 0.000 0.865 203 R CB 0.804 31.013 30.300 -0.152 0.000 1.174 203 R HN 0.551 nan 8.270 nan 0.000 0.455 204 Y N 2.096 122.122 120.300 -0.456 0.000 2.352 204 Y HA 0.253 4.803 4.550 -0.000 0.000 0.326 204 Y C 0.255 175.772 175.900 -0.638 0.000 1.166 204 Y CA -0.295 57.473 58.100 -0.553 0.000 1.182 204 Y CB 1.704 39.736 38.460 -0.714 0.000 1.216 204 Y HN 0.565 nan 8.280 nan 0.000 0.474 205 E N 2.156 122.231 120.200 -0.208 0.000 2.314 205 E HA 0.583 4.933 4.350 -0.000 0.000 0.272 205 E C -1.793 174.722 176.600 -0.141 0.000 0.884 205 E CA -0.768 55.529 56.400 -0.172 0.000 0.753 205 E CB 1.851 31.477 29.700 -0.122 0.000 1.213 205 E HN 0.573 nan 8.360 nan 0.000 0.432 206 I N 2.728 123.223 120.570 -0.124 0.000 2.312 206 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 206 I C -0.906 175.104 176.117 -0.178 0.000 1.008 206 I CA -0.903 60.256 61.300 -0.235 0.000 1.226 206 I CB 1.116 39.005 38.000 -0.183 0.000 1.371 206 I HN 0.456 nan 8.210 nan 0.000 0.468 207 D N 8.238 128.520 120.400 -0.196 0.000 2.427 207 D HA 0.404 5.044 4.640 -0.000 0.000 0.226 207 D C -0.229 176.021 176.300 -0.082 0.000 1.076 207 D CA -0.179 53.755 54.000 -0.110 0.000 0.849 207 D CB 1.663 42.413 40.800 -0.082 0.000 1.052 207 D HN 0.300 nan 8.370 nan 0.000 0.515 208 L N 3.610 124.798 121.223 -0.059 0.000 2.292 208 L HA 0.354 4.694 4.340 -0.000 0.000 0.284 208 L C -1.917 174.942 176.870 -0.018 0.000 1.065 208 L CA -1.724 53.100 54.840 -0.027 0.000 0.806 208 L CB 0.684 42.726 42.059 -0.028 0.000 1.175 208 L HN 0.027 nan 8.230 nan 0.000 0.431 209 P HA 0.038 nan 4.420 nan 0.000 0.269 209 P C -0.253 177.046 177.300 -0.001 0.000 1.215 209 P CA -0.224 62.876 63.100 0.001 0.000 0.780 209 P CB 0.512 32.220 31.700 0.013 0.000 0.898 210 S N 0.859 116.558 115.700 -0.001 0.000 3.544 210 S HA 0.078 4.548 4.470 -0.000 0.000 0.227 210 S C 0.277 174.881 174.600 0.008 0.000 1.387 210 S CA 0.110 58.311 58.200 0.000 0.000 1.182 210 S CB -0.893 62.305 63.200 -0.003 0.000 1.243 210 S HN 0.420 nan 8.310 nan 0.000 0.467 211 Q N 0.606 120.412 119.800 0.010 0.000 3.146 211 Q HA 0.513 4.853 4.340 -0.000 0.000 0.318 211 Q C -0.239 175.769 176.000 0.014 0.000 0.992 211 Q CA -1.336 54.477 55.803 0.015 0.000 0.809 211 Q CB 1.028 29.776 28.738 0.017 0.000 1.490 211 Q HN 0.442 nan 8.270 nan 0.000 0.493 212 R N 0.041 120.551 120.500 0.018 0.000 2.441 212 R HA 0.397 4.737 4.340 -0.000 0.000 0.284 212 R C -0.930 175.369 176.300 -0.002 0.000 1.070 212 R CA -0.397 55.712 56.100 0.015 0.000 1.047 212 R CB 0.030 30.349 30.300 0.031 0.000 1.016 212 R HN 0.369 nan 8.270 nan 0.000 0.477 213 L N 4.275 125.470 121.223 -0.047 0.000 2.490 213 L HA 0.223 4.563 4.340 -0.000 0.000 0.274 213 L C -1.558 175.336 176.870 0.040 0.000 1.201 213 L CA -1.782 53.008 54.840 -0.083 0.000 0.869 213 L CB 0.138 41.996 42.059 -0.335 0.000 1.123 213 L HN 0.590 nan 8.230 nan 0.000 0.484 214 P HA 0.081 nan 4.420 nan 0.000 0.266 214 P C -2.568 174.846 177.300 0.191 0.000 1.195 214 P CA -0.994 62.180 63.100 0.124 0.000 0.768 214 P CB -0.233 31.541 31.700 0.124 0.000 0.838 215 P HA 0.061 nan 4.420 nan 0.000 0.280 215 P C -0.344 176.977 177.300 0.035 0.000 1.244 215 P CA -0.332 62.828 63.100 0.099 0.000 0.784 215 P CB 0.294 32.026 31.700 0.054 0.000 0.913 216 V N 2.196 122.090 119.914 -0.033 0.000 2.655 216 V HA 0.110 4.230 4.120 -0.000 0.000 0.300 216 V C -1.134 174.905 176.094 -0.092 0.000 1.044 216 V CA -0.914 61.300 62.300 -0.144 0.000 1.095 216 V CB -0.188 31.476 31.823 -0.266 0.000 0.952 216 V HN 0.516 nan 8.190 nan 0.000 0.485 217 P HA 0.109 nan 4.420 nan 0.000 0.218 217 P C 0.389 177.645 177.300 -0.073 0.000 1.149 217 P CA 1.776 64.837 63.100 -0.065 0.000 0.817 217 P CB 0.363 32.026 31.700 -0.062 0.000 0.785 218 A N -1.853 120.907 122.820 -0.100 0.000 2.586 218 A HA 0.504 4.824 4.320 -0.000 0.000 0.290 218 A C -0.791 176.715 177.584 -0.130 0.000 1.086 218 A CA -0.441 51.538 52.037 -0.097 0.000 0.665 218 A CB 0.305 19.258 19.000 -0.079 0.000 1.279 218 A HN -0.150 nan 8.150 nan 0.000 0.423 219 T N 0.871 115.355 114.554 -0.117 0.000 2.916 219 T HA 0.454 4.804 4.350 -0.000 0.000 0.303 219 T C 1.410 176.029 174.700 -0.134 0.000 1.025 219 T CA 1.915 63.933 62.100 -0.136 0.000 1.142 219 T CB 0.556 69.359 68.868 -0.108 0.000 0.947 219 T HN 2.350 nan 8.240 nan 0.000 0.544 220 G N 3.225 111.927 108.800 -0.163 0.000 2.155 220 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 220 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 220 G C 0.323 175.138 174.900 -0.141 0.000 0.983 220 G CA 0.312 45.327 45.100 -0.142 0.000 0.676 220 G HN 0.801 nan 8.290 nan 0.000 0.528 221 T N 0.838 115.292 114.554 -0.168 0.000 2.829 221 T HA 0.584 4.934 4.350 -0.000 0.000 0.282 221 T C 0.541 175.117 174.700 -0.206 0.000 0.990 221 T CA -0.473 61.534 62.100 -0.156 0.000 1.028 221 T CB 1.537 70.325 68.868 -0.133 0.000 0.951 221 T HN 0.263 nan 8.240 nan 0.000 0.460 222 L N 3.549 124.674 121.223 -0.163 0.000 2.313 222 L HA 0.299 4.639 4.340 -0.000 0.000 0.282 222 L C 0.356 177.134 176.870 -0.154 0.000 1.092 222 L CA -0.198 54.540 54.840 -0.170 0.000 0.831 222 L CB 0.648 42.646 42.059 -0.103 0.000 1.159 222 L HN 0.641 nan 8.230 nan 0.000 0.442 223 T N 1.042 115.472 114.554 -0.207 0.000 2.758 223 T HA 0.249 4.599 4.350 -0.000 0.000 0.285 223 T C 0.284 175.008 174.700 0.041 0.000 0.981 223 T CA -0.580 61.460 62.100 -0.100 0.000 0.965 223 T CB 1.213 69.996 68.868 -0.141 0.000 0.927 223 T HN 0.650 nan 8.240 nan 0.000 0.448 224 T N 2.084 116.665 114.554 0.045 0.000 2.907 224 T HA 0.402 4.752 4.350 -0.000 0.000 0.298 224 T C 1.049 175.824 174.700 0.125 0.000 1.017 224 T CA -0.611 61.534 62.100 0.075 0.000 1.118 224 T CB 0.351 69.231 68.868 0.019 0.000 0.948 224 T HN 0.462 nan 8.240 nan 0.000 0.531 225 L N 1.560 122.879 121.223 0.160 0.000 2.445 225 L HA 0.431 4.771 4.340 -0.000 0.000 0.207 225 L C 0.106 177.094 176.870 0.196 0.000 1.053 225 L CA -0.221 54.723 54.840 0.172 0.000 0.841 225 L CB 0.193 42.365 42.059 0.188 0.000 1.074 225 L HN 0.737 nan 8.230 nan 0.000 0.479 226 Y N 0.486 120.815 120.300 0.048 0.000 2.479 226 Y HA 0.498 5.048 4.550 -0.000 0.000 0.338 226 Y C -1.145 174.764 175.900 0.014 0.000 1.055 226 Y CA -0.979 57.140 58.100 0.031 0.000 1.023 226 Y CB 1.820 40.301 38.460 0.036 0.000 1.287 226 Y HN -0.074 nan 8.280 nan 0.000 0.447 227 E N 3.713 123.451 120.200 -0.770 0.000 2.292 227 E HA 0.739 5.089 4.350 -0.000 0.000 0.272 227 E C -1.186 174.908 176.600 -0.843 0.000 0.881 227 E CA -0.791 55.281 56.400 -0.545 0.000 0.754 227 E CB 2.027 31.564 29.700 -0.272 0.000 1.201 227 E HN 0.997 nan 8.360 nan 0.000 0.425 228 G N 2.294 110.884 108.800 -0.350 0.000 2.495 228 G HA2 0.220 4.180 3.960 -0.000 0.000 0.294 228 G HA3 0.220 4.180 3.960 -0.000 0.000 0.294 228 G C -1.488 173.433 174.900 0.035 0.000 1.397 228 G CA -0.858 44.170 45.100 -0.119 0.000 0.790 228 G HN 0.450 nan 8.290 nan 0.000 0.486 229 N N 0.196 118.933 118.700 0.061 0.000 2.498 229 N HA 0.776 5.516 4.740 -0.000 0.000 0.287 229 N C -0.129 175.360 175.510 -0.034 0.000 1.097 229 N CA 0.410 53.478 53.050 0.030 0.000 0.973 229 N CB 1.729 40.240 38.487 0.041 0.000 1.153 229 N HN 1.075 nan 8.380 nan 0.000 0.472 230 A N 1.070 123.822 122.820 -0.115 0.000 2.594 230 A HA 0.375 4.695 4.320 -0.000 0.000 0.296 230 A C -1.872 175.628 177.584 -0.141 0.000 1.056 230 A CA -0.800 50.947 52.037 -0.484 0.000 0.693 230 A CB 1.256 19.830 19.000 -0.711 0.000 1.278 230 A HN 0.504 nan 8.150 nan 0.000 0.408 231 D N 1.738 122.146 120.400 0.014 0.000 2.414 231 D HA 0.552 5.192 4.640 -0.000 0.000 0.232 231 D C -0.877 175.586 176.300 0.272 0.000 1.070 231 D CA 0.247 54.378 54.000 0.218 0.000 0.839 231 D CB 1.340 42.317 40.800 0.295 0.000 1.079 231 D HN 0.450 nan 8.370 nan 0.000 0.521 232 I N 1.884 122.552 120.570 0.162 0.000 2.509 232 I HA 0.221 4.391 4.170 -0.000 0.000 0.293 232 I C 0.690 176.849 176.117 0.071 0.000 1.020 232 I CA -0.696 60.663 61.300 0.098 0.000 1.088 232 I CB 2.857 40.818 38.000 -0.064 0.000 1.267 232 I HN 0.126 nan 8.210 nan 0.000 0.430 233 V N 4.634 124.574 119.914 0.042 0.000 3.359 233 V HA 0.196 4.316 4.120 -0.000 0.000 0.270 233 V C -0.451 175.597 176.094 -0.078 0.000 1.583 233 V CA 0.394 62.706 62.300 0.020 0.000 1.019 233 V CB 0.353 32.171 31.823 -0.008 0.000 0.831 233 V HN 0.961 nan 8.190 nan 0.000 0.426 234 N N -0.494 118.166 118.700 -0.067 0.000 3.387 234 N HA 0.297 5.037 4.740 -0.000 0.000 0.322 234 N C -0.283 175.184 175.510 -0.071 0.000 1.588 234 N CA 0.243 53.238 53.050 -0.092 0.000 0.778 234 N CB 0.622 39.053 38.487 -0.093 0.000 1.883 234 N HN 0.054 nan 8.380 nan 0.000 0.628 235 S N -1.143 114.518 115.700 -0.065 0.000 2.593 235 S HA 0.263 4.733 4.470 -0.000 0.000 0.300 235 S C -0.231 174.350 174.600 -0.031 0.000 1.267 235 S CA -0.127 58.042 58.200 -0.052 0.000 1.065 235 S CB -0.634 62.543 63.200 -0.039 0.000 0.807 235 S HN 0.581 nan 8.310 nan 0.000 0.499 236 T N 2.569 117.099 114.554 -0.039 0.000 2.907 236 T HA 0.603 4.953 4.350 -0.000 0.000 0.292 236 T C -0.556 174.163 174.700 0.031 0.000 1.043 236 T CA -0.564 61.536 62.100 0.001 0.000 1.003 236 T CB 1.943 70.775 68.868 -0.059 0.000 1.084 236 T HN 0.717 nan 8.240 nan 0.000 0.483 237 T N 2.121 116.728 114.554 0.087 0.000 2.809 237 T HA 0.535 4.885 4.350 -0.000 0.000 0.284 237 T C -0.509 174.286 174.700 0.157 0.000 0.992 237 T CA -0.447 61.709 62.100 0.093 0.000 0.957 237 T CB 0.941 69.851 68.868 0.070 0.000 0.942 237 T HN 0.346 nan 8.240 nan 0.000 0.439 238 V N 4.126 124.133 119.914 0.154 0.000 2.394 238 V HA 0.596 4.716 4.120 -0.000 0.000 0.282 238 V C 0.241 176.416 176.094 0.135 0.000 1.031 238 V CA -0.550 61.872 62.300 0.203 0.000 0.881 238 V CB 1.533 33.479 31.823 0.205 0.000 0.982 238 V HN 0.940 nan 8.190 nan 0.000 0.451 239 T N 3.369 117.999 114.554 0.128 0.000 2.881 239 T HA 0.829 5.179 4.350 -0.000 0.000 0.290 239 T C 0.121 174.858 174.700 0.062 0.000 1.000 239 T CA -0.313 61.832 62.100 0.075 0.000 0.978 239 T CB 1.777 70.676 68.868 0.051 0.000 0.997 239 T HN 1.173 nan 8.240 nan 0.000 0.443 240 G N 1.045 109.865 108.800 0.035 0.000 2.451 240 G HA2 0.528 4.488 3.960 -0.000 0.000 0.292 240 G HA3 0.528 4.488 3.960 -0.000 0.000 0.292 240 G C -2.241 172.646 174.900 -0.021 0.000 1.427 240 G CA -0.535 44.570 45.100 0.008 0.000 0.792 240 G HN 0.534 nan 8.290 nan 0.000 0.498 241 D N 0.596 120.966 120.400 -0.049 0.000 2.472 241 D HA 0.214 4.854 4.640 -0.000 0.000 0.248 241 D C -0.184 176.048 176.300 -0.112 0.000 1.271 241 D CA -0.332 53.625 54.000 -0.073 0.000 0.888 241 D CB 0.589 41.355 40.800 -0.058 0.000 1.337 241 D HN 0.360 nan 8.370 nan 0.000 0.526 242 I N 3.578 124.037 120.570 -0.185 0.000 2.372 242 I HA 0.056 4.226 4.170 -0.000 0.000 0.298 242 I C 0.605 176.610 176.117 -0.187 0.000 1.137 242 I CA -0.166 60.969 61.300 -0.274 0.000 1.314 242 I CB -0.388 37.239 38.000 -0.623 0.000 1.444 242 I HN 0.245 nan 8.210 nan 0.000 0.541 243 N N 6.579 125.226 118.700 -0.088 0.000 2.459 243 N HA 0.849 5.589 4.740 -0.000 0.000 0.288 243 N C -0.619 174.930 175.510 0.064 0.000 1.186 243 N CA -0.626 52.371 53.050 -0.087 0.000 0.917 243 N CB 1.677 40.086 38.487 -0.129 0.000 1.219 243 N HN 0.358 nan 8.380 nan 0.000 0.525 244 F N -3.173 116.696 119.950 -0.136 0.000 2.858 244 F HA 0.688 5.215 4.527 -0.000 0.000 0.319 244 F C -1.568 174.167 175.800 -0.109 0.000 1.166 244 F CA -1.168 56.759 58.000 -0.122 0.000 0.899 244 F CB 0.975 39.888 39.000 -0.146 0.000 1.332 244 F HN 0.661 nan 8.300 nan 0.000 0.461 245 S N 1.256 117.026 115.700 0.118 0.000 2.538 245 S HA 0.813 5.283 4.470 -0.000 0.000 0.288 245 S C -1.361 173.368 174.600 0.215 0.000 1.108 245 S CA -0.798 57.430 58.200 0.046 0.000 0.971 245 S CB 1.569 64.755 63.200 -0.024 0.000 1.041 245 S HN 0.880 nan 8.310 nan 0.000 0.483 246 L N 2.629 124.009 121.223 0.262 0.000 2.399 246 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 246 L C 1.597 178.634 176.870 0.278 0.000 1.114 246 L CA -0.547 54.473 54.840 0.300 0.000 0.804 246 L CB 0.843 43.106 42.059 0.341 0.000 1.146 246 L HN 0.977 nan 8.230 nan 0.000 0.451 247 A N 1.785 124.725 122.820 0.200 0.000 1.968 247 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 247 A C 0.584 178.270 177.584 0.170 0.000 1.169 247 A CA 0.898 53.032 52.037 0.163 0.000 0.638 247 A CB -0.167 18.898 19.000 0.109 0.000 0.812 247 A HN 0.807 nan 8.150 nan 0.000 0.446 248 E N -0.418 119.848 120.200 0.110 0.000 2.312 248 E HA 0.386 4.736 4.350 -0.000 0.000 0.267 248 E C -1.122 175.305 176.600 -0.288 0.000 0.894 248 E CA -0.885 55.502 56.400 -0.022 0.000 0.773 248 E CB 0.855 30.544 29.700 -0.020 0.000 1.241 248 E HN 0.306 nan 8.360 nan 0.000 0.432 249 Q N 2.717 122.153 119.800 -0.606 0.000 2.262 249 Q HA 0.041 4.381 4.340 -0.000 0.000 0.298 249 Q C -1.921 173.878 176.000 -0.334 0.000 1.083 249 Q CA -1.043 54.258 55.803 -0.837 0.000 0.962 249 Q CB -0.261 28.141 28.738 -0.560 0.000 1.104 249 Q HN 0.209 nan 8.270 nan 0.000 0.376 250 P HA -0.094 nan 4.420 nan 0.000 0.262 250 P C -0.135 177.137 177.300 -0.047 0.000 1.199 250 P CA 0.291 63.364 63.100 -0.045 0.000 0.763 250 P CB 0.947 32.674 31.700 0.045 0.000 0.790 251 A N 4.543 127.347 122.820 -0.028 0.000 1.892 251 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 251 A C 0.736 178.313 177.584 -0.011 0.000 1.188 251 A CA 1.478 53.501 52.037 -0.023 0.000 0.631 251 A CB -0.410 18.581 19.000 -0.015 0.000 0.822 251 A HN 0.550 nan 8.150 nan 0.000 0.447 252 D N -0.773 119.628 120.400 0.001 0.000 2.575 252 D HA 0.376 5.016 4.640 -0.000 0.000 0.236 252 D C -1.022 175.297 176.300 0.030 0.000 1.075 252 D CA -0.521 53.485 54.000 0.009 0.000 0.860 252 D CB 0.834 41.635 40.800 0.002 0.000 1.475 252 D HN 0.321 nan 8.370 nan 0.000 0.474 253 E N 0.863 121.086 120.200 0.039 0.000 2.491 253 E HA 0.143 4.493 4.350 -0.000 0.000 0.250 253 E C 0.294 176.936 176.600 0.069 0.000 1.061 253 E CA 0.334 56.774 56.400 0.067 0.000 0.942 253 E CB 0.288 30.025 29.700 0.061 0.000 0.957 253 E HN 0.337 nan 8.360 nan 0.000 0.480 254 T N 1.079 115.699 114.554 0.110 0.000 2.925 254 T HA 0.288 4.638 4.350 -0.000 0.000 0.285 254 T C -0.271 174.501 174.700 0.121 0.000 1.021 254 T CA -1.091 61.045 62.100 0.061 0.000 1.042 254 T CB 1.503 70.364 68.868 -0.013 0.000 1.037 254 T HN 0.288 nan 8.240 nan 0.000 0.481 255 K N 2.915 123.324 120.400 0.015 0.000 2.281 255 K HA 0.368 4.688 4.320 -0.000 0.000 0.272 255 K C -1.355 175.237 176.600 -0.013 0.000 1.048 255 K CA -0.731 55.599 56.287 0.072 0.000 0.898 255 K CB 0.247 32.764 32.500 0.028 0.000 1.128 255 K HN 0.562 nan 8.250 nan 0.000 0.460 256 F N 2.967 122.965 119.950 0.080 0.000 2.424 256 F HA 0.194 4.721 4.527 -0.000 0.000 0.356 256 F C 0.477 176.232 175.800 -0.076 0.000 1.110 256 F CA -0.065 57.933 58.000 -0.004 0.000 1.161 256 F CB 0.935 40.017 39.000 0.138 0.000 1.115 256 F HN 0.400 nan 8.300 nan 0.000 0.507 257 D N 3.999 124.336 120.400 -0.106 0.000 2.278 257 D HA 0.309 4.949 4.640 -0.000 0.000 0.245 257 D C -0.961 175.195 176.300 -0.240 0.000 1.052 257 D CA -0.171 53.785 54.000 -0.073 0.000 0.834 257 D CB 1.582 42.348 40.800 -0.056 0.000 1.194 257 D HN 0.178 nan 8.370 nan 0.000 0.481 258 F N 1.312 121.365 119.950 0.171 0.000 2.427 258 F HA 0.258 4.785 4.527 -0.000 0.000 0.348 258 F C 0.765 176.617 175.800 0.087 0.000 1.125 258 F CA -0.716 57.375 58.000 0.152 0.000 0.989 258 F CB 1.609 40.696 39.000 0.145 0.000 1.165 258 F HN -0.086 nan 8.300 nan 0.000 0.442 259 Q N 3.373 123.294 119.800 0.201 0.000 2.290 259 Q HA 0.424 4.764 4.340 -0.000 0.000 0.259 259 Q C -1.313 174.717 176.000 0.049 0.000 0.941 259 Q CA -1.102 54.758 55.803 0.096 0.000 0.912 259 Q CB 2.512 31.272 28.738 0.037 0.000 1.244 259 Q HN 0.519 nan 8.270 nan 0.000 0.441 260 L N 4.239 125.450 121.223 -0.019 0.000 2.265 260 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 260 L C -1.026 175.645 176.870 -0.333 0.000 1.033 260 L CA 0.053 54.779 54.840 -0.190 0.000 0.814 260 L CB 1.041 42.975 42.059 -0.207 0.000 1.203 260 L HN 0.475 nan 8.230 nan 0.000 0.423 261 D N 4.983 125.151 120.400 -0.386 0.000 2.217 261 D HA 0.321 4.961 4.640 -0.000 0.000 0.243 261 D C -1.068 174.925 176.300 -0.511 0.000 1.054 261 D CA 0.169 53.980 54.000 -0.314 0.000 0.838 261 D CB 1.396 42.110 40.800 -0.143 0.000 1.162 261 D HN 0.251 nan 8.370 nan 0.000 0.472 262 F N 2.103 122.009 119.950 -0.075 0.000 2.382 262 F HA 0.384 4.911 4.527 -0.000 0.000 0.361 262 F C 0.346 176.107 175.800 -0.065 0.000 1.109 262 F CA -0.766 57.179 58.000 -0.091 0.000 1.031 262 F CB 0.959 39.890 39.000 -0.116 0.000 1.234 262 F HN -0.002 nan 8.300 nan 0.000 0.445 263 M N 1.660 121.309 119.600 0.081 0.000 2.705 263 M HA 0.667 5.147 4.480 -0.000 0.000 0.311 263 M C 0.648 176.960 176.300 0.020 0.000 1.214 263 M CA -0.405 54.913 55.300 0.030 0.000 0.920 263 M CB 1.591 34.187 32.600 -0.007 0.000 1.687 263 M HN 0.584 nan 8.290 nan 0.000 0.481 264 G N 0.114 108.907 108.800 -0.013 0.000 2.543 264 G HA2 0.470 4.430 3.960 -0.000 0.000 0.267 264 G HA3 0.470 4.430 3.960 -0.000 0.000 0.267 264 G C 0.472 175.360 174.900 -0.020 0.000 1.406 264 G CA -0.692 44.394 45.100 -0.022 0.000 1.048 264 G HN 0.746 nan 8.290 nan 0.000 0.548 265 L N 0.197 121.409 121.223 -0.018 0.000 2.265 265 L HA 0.064 4.404 4.340 -0.000 0.000 0.215 265 L C 0.425 177.250 176.870 -0.075 0.000 1.117 265 L CA 0.842 55.621 54.840 -0.103 0.000 0.782 265 L CB -0.439 41.439 42.059 -0.302 0.000 0.914 265 L HN 0.537 nan 8.230 nan 0.000 0.441 266 D N -1.816 118.578 120.400 -0.010 0.000 2.433 266 D HA 0.135 4.775 4.640 -0.000 0.000 0.236 266 D C 0.319 176.611 176.300 -0.013 0.000 1.026 266 D CA -0.477 53.516 54.000 -0.013 0.000 0.884 266 D CB 0.866 41.685 40.800 0.033 0.000 1.384 266 D HN 0.087 nan 8.370 nan 0.000 0.477 267 N N -0.065 118.625 118.700 -0.016 0.000 2.690 267 N HA -0.352 4.388 4.740 -0.000 0.000 0.249 267 N C -0.402 175.099 175.510 -0.014 0.000 1.125 267 N CA 1.865 54.908 53.050 -0.011 0.000 0.794 267 N CB -2.198 36.287 38.487 -0.004 0.000 1.152 267 N HN 0.646 nan 8.380 nan 0.000 0.571 268 D N -3.184 117.205 120.400 -0.020 0.000 3.068 268 D HA -0.171 4.469 4.640 -0.000 0.000 0.219 268 D C -0.744 175.546 176.300 -0.018 0.000 1.175 268 D CA 1.486 55.473 54.000 -0.022 0.000 0.942 268 D CB -1.017 39.768 40.800 -0.024 0.000 1.127 268 D HN 0.530 nan 8.370 nan 0.000 0.404 269 V N 0.963 120.869 119.914 -0.013 0.000 2.405 269 V HA 0.231 4.351 4.120 -0.000 0.000 0.264 269 V C -1.754 174.337 176.094 -0.005 0.000 1.048 269 V CA -1.298 60.997 62.300 -0.008 0.000 0.966 269 V CB 0.937 32.757 31.823 -0.005 0.000 1.015 269 V HN -0.049 nan 8.190 nan 0.000 0.477 270 P HA -0.030 nan 4.420 nan 0.000 0.260 270 P C 0.937 178.254 177.300 0.028 0.000 1.172 270 P CA 0.381 63.492 63.100 0.018 0.000 0.760 270 P CB 0.606 32.316 31.700 0.016 0.000 0.773 271 V N 3.727 123.667 119.914 0.043 0.000 2.453 271 V HA -0.063 4.057 4.120 -0.000 0.000 0.247 271 V C 1.049 177.175 176.094 0.053 0.000 1.048 271 V CA 1.367 63.684 62.300 0.029 0.000 1.049 271 V CB -0.034 31.799 31.823 0.017 0.000 0.672 271 V HN 0.324 nan 8.190 nan 0.000 0.457 272 V N -0.651 119.329 119.914 0.111 0.000 2.752 272 V HA 0.414 4.534 4.120 -0.000 0.000 0.302 272 V C -0.642 175.571 176.094 0.199 0.000 1.133 272 V CA -0.356 62.021 62.300 0.129 0.000 0.919 272 V CB 2.312 34.188 31.823 0.089 0.000 1.026 272 V HN 0.297 nan 8.190 nan 0.000 0.429 273 T N 3.814 118.439 114.554 0.120 0.000 2.885 273 T HA 0.765 5.115 4.350 -0.000 0.000 0.285 273 T C -1.035 173.721 174.700 0.094 0.000 1.019 273 T CA -0.527 61.624 62.100 0.085 0.000 1.010 273 T CB 2.058 70.948 68.868 0.038 0.000 1.022 273 T HN 0.442 nan 8.240 nan 0.000 0.466 274 V N 2.839 122.801 119.914 0.081 0.000 2.888 274 V HA 0.726 4.846 4.120 -0.000 0.000 0.309 274 V C -1.266 174.875 176.094 0.078 0.000 1.114 274 V CA -0.473 61.881 62.300 0.089 0.000 0.940 274 V CB 2.199 34.098 31.823 0.127 0.000 1.021 274 V HN 0.749 nan 8.190 nan 0.000 0.426 275 V N 3.934 123.899 119.914 0.086 0.000 2.823 275 V HA 0.807 4.927 4.120 -0.000 0.000 0.312 275 V C -0.394 175.777 176.094 0.127 0.000 1.072 275 V CA -0.493 61.871 62.300 0.107 0.000 0.937 275 V CB 2.164 34.038 31.823 0.085 0.000 1.013 275 V HN 0.881 nan 8.190 nan 0.000 0.430 276 S N 2.191 118.001 115.700 0.183 0.000 2.575 276 S HA 0.785 5.255 4.470 -0.000 0.000 0.278 276 S C -0.728 174.044 174.600 0.286 0.000 1.139 276 S CA -0.089 58.229 58.200 0.197 0.000 0.954 276 S CB 1.667 64.971 63.200 0.174 0.000 1.054 276 S HN 1.323 nan 8.310 nan 0.000 0.483 277 S N 2.956 118.795 115.700 0.231 0.000 2.548 277 S HA 0.878 5.348 4.470 -0.000 0.000 0.286 277 S C -0.625 174.119 174.600 0.240 0.000 1.098 277 S CA -0.587 57.770 58.200 0.261 0.000 0.930 277 S CB 1.212 64.515 63.200 0.171 0.000 1.070 277 S HN 1.410 nan 8.310 nan 0.000 0.480 278 V N 0.457 120.553 119.914 0.304 0.000 3.001 278 V HA 0.711 4.831 4.120 -0.000 0.000 0.314 278 V C -0.721 175.532 176.094 0.266 0.000 1.099 278 V CA -1.153 61.290 62.300 0.238 0.000 0.989 278 V CB 1.361 33.308 31.823 0.207 0.000 1.040 278 V HN 0.923 nan 8.190 nan 0.000 0.434 279 L N 2.667 124.003 121.223 0.188 0.000 2.275 279 L HA 0.753 5.093 4.340 -0.000 0.000 0.288 279 L C 0.663 177.648 176.870 0.192 0.000 1.046 279 L CA -0.380 54.576 54.840 0.193 0.000 0.805 279 L CB 1.545 43.680 42.059 0.125 0.000 1.193 279 L HN 0.976 nan 8.230 nan 0.000 0.426 280 A N 3.484 126.470 122.820 0.276 0.000 2.415 280 A HA 0.575 4.895 4.320 -0.000 0.000 0.309 280 A C 0.069 177.763 177.584 0.184 0.000 1.356 280 A CA -0.312 51.872 52.037 0.245 0.000 0.998 280 A CB -0.275 18.972 19.000 0.411 0.000 1.145 280 A HN 0.688 nan 8.150 nan 0.000 0.545 281 T N 1.346 115.986 114.554 0.143 0.000 2.937 281 T HA 0.227 4.577 4.350 -0.000 0.000 0.283 281 T C 1.195 175.991 174.700 0.160 0.000 1.012 281 T CA -0.724 61.448 62.100 0.119 0.000 0.997 281 T CB 0.788 69.710 68.868 0.089 0.000 1.136 281 T HN 0.502 nan 8.240 nan 0.000 0.551 282 N N 1.266 120.040 118.700 0.122 0.000 2.205 282 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 282 N C 1.323 176.991 175.510 0.264 0.000 1.015 282 N CA 1.023 54.180 53.050 0.178 0.000 0.862 282 N CB -0.346 38.195 38.487 0.089 0.000 0.986 282 N HN 0.515 nan 8.380 nan 0.000 0.429 283 D N 0.144 120.629 120.400 0.143 0.000 2.178 283 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 283 D C 1.033 177.361 176.300 0.046 0.000 0.980 283 D CA 1.060 55.110 54.000 0.083 0.000 0.842 283 D CB -0.147 40.682 40.800 0.050 0.000 0.948 283 D HN 0.569 nan 8.370 nan 0.000 0.472 284 N N -0.690 118.047 118.700 0.061 0.000 2.143 284 N HA -0.094 4.646 4.740 -0.000 0.000 0.222 284 N C 1.309 176.774 175.510 -0.075 0.000 1.264 284 N CA -0.293 52.736 53.050 -0.035 0.000 0.897 284 N CB -0.932 37.529 38.487 -0.043 0.000 1.092 284 N HN 0.237 nan 8.380 nan 0.000 0.516 285 Y N 0.073 120.345 120.300 -0.046 0.000 2.556 285 Y HA 0.164 4.714 4.550 -0.000 0.000 0.290 285 Y C 1.436 177.297 175.900 -0.065 0.000 1.149 285 Y CA 0.535 58.609 58.100 -0.043 0.000 1.329 285 Y CB -0.140 38.333 38.460 0.021 0.000 0.975 285 Y HN -0.131 nan 8.280 nan 0.000 0.561 286 R N 1.236 121.369 120.500 -0.612 0.000 2.236 286 R HA 0.233 4.573 4.340 -0.000 0.000 0.208 286 R C 0.826 176.962 176.300 -0.273 0.000 1.036 286 R CA 0.493 56.305 56.100 -0.480 0.000 1.001 286 R CB -0.254 29.757 30.300 -0.482 0.000 0.896 286 R HN 0.494 nan 8.270 nan 0.000 0.464 287 G N 0.163 108.801 108.800 -0.269 0.000 4.379 287 G HA2 0.228 4.188 3.960 -0.000 0.000 0.243 287 G HA3 0.228 4.188 3.960 -0.000 0.000 0.243 287 G C -0.768 173.938 174.900 -0.324 0.000 1.009 287 G CA -0.505 44.439 45.100 -0.260 0.000 0.646 287 G HN -0.077 nan 8.290 nan 0.000 0.475 288 V N 1.506 121.105 119.914 -0.525 0.000 2.585 288 V HA 0.500 4.620 4.120 -0.000 0.000 0.296 288 V C 0.787 176.520 176.094 -0.601 0.000 1.035 288 V CA 0.307 62.221 62.300 -0.642 0.000 1.084 288 V CB 1.249 32.379 31.823 -1.155 0.000 0.953 288 V HN 0.728 nan 8.190 nan 0.000 0.483 289 S N 4.275 119.787 115.700 -0.312 0.000 2.707 289 S HA 0.748 5.218 4.470 -0.000 0.000 0.303 289 S C -0.450 174.106 174.600 -0.074 0.000 1.132 289 S CA -0.248 57.837 58.200 -0.193 0.000 1.046 289 S CB 1.498 64.616 63.200 -0.137 0.000 1.004 289 S HN 1.253 nan 8.310 nan 0.000 0.483 290 A N 4.537 127.339 122.820 -0.029 0.000 2.269 290 A HA 0.608 4.928 4.320 -0.000 0.000 0.302 290 A C -0.073 177.492 177.584 -0.033 0.000 1.266 290 A CA -0.659 51.406 52.037 0.048 0.000 0.894 290 A CB 0.206 19.308 19.000 0.170 0.000 1.147 290 A HN 0.833 nan 8.150 nan 0.000 0.537 291 K N 2.762 123.169 120.400 0.011 0.000 2.185 291 K HA 0.485 4.804 4.320 -0.000 0.000 0.269 291 K C -0.454 176.162 176.600 0.027 0.000 0.987 291 K CA -0.224 56.064 56.287 0.001 0.000 0.865 291 K CB 1.473 33.976 32.500 0.005 0.000 1.090 291 K HN 0.694 nan 8.250 nan 0.000 0.450 292 M N 2.415 122.028 119.600 0.022 0.000 2.157 292 M HA 0.209 4.689 4.480 -0.000 0.000 0.354 292 M C -0.110 176.224 176.300 0.056 0.000 1.170 292 M CA -0.051 55.279 55.300 0.051 0.000 1.060 292 M CB 1.250 33.885 32.600 0.059 0.000 1.615 292 M HN 0.635 nan 8.290 nan 0.000 0.460 293 T N -0.119 114.473 114.554 0.063 0.000 3.412 293 T HA 0.063 4.413 4.350 -0.000 0.000 0.305 293 T C 0.355 175.091 174.700 0.059 0.000 0.892 293 T CA -0.484 61.650 62.100 0.056 0.000 0.936 293 T CB 0.427 69.321 68.868 0.043 0.000 1.202 293 T HN 0.647 nan 8.240 nan 0.000 0.621 294 Q N 1.527 121.370 119.800 0.071 0.000 2.373 294 Q HA 0.506 4.846 4.340 -0.000 0.000 0.255 294 Q C -0.293 175.743 176.000 0.059 0.000 0.980 294 Q CA -0.097 55.745 55.803 0.065 0.000 0.882 294 Q CB 1.062 29.846 28.738 0.077 0.000 1.249 294 Q HN 0.174 nan 8.270 nan 0.000 0.438 295 S N 2.572 118.297 115.700 0.041 0.000 2.601 295 S HA 0.435 4.905 4.470 -0.000 0.000 0.312 295 S C -0.450 174.156 174.600 0.009 0.000 1.107 295 S CA -0.811 57.405 58.200 0.027 0.000 1.129 295 S CB -0.223 62.990 63.200 0.021 0.000 0.982 295 S HN 0.530 nan 8.310 nan 0.000 0.469 296 I N 6.779 127.343 120.570 -0.010 0.000 2.347 296 I HA 0.284 4.454 4.170 -0.000 0.000 0.294 296 I C -2.015 174.071 176.117 -0.051 0.000 1.090 296 I CA -2.096 59.179 61.300 -0.041 0.000 1.314 296 I CB 0.671 38.606 38.000 -0.108 0.000 1.423 296 I HN 0.406 nan 8.210 nan 0.000 0.503 297 P HA 0.118 nan 4.420 nan 0.000 0.273 297 P C 0.689 177.953 177.300 -0.060 0.000 1.250 297 P CA -0.209 62.866 63.100 -0.042 0.000 0.793 297 P CB 0.579 32.261 31.700 -0.030 0.000 1.011 298 T N -0.495 114.019 114.554 -0.067 0.000 2.896 298 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 298 T C 1.413 176.061 174.700 -0.086 0.000 1.050 298 T CA 1.325 63.371 62.100 -0.091 0.000 1.140 298 T CB -0.599 68.202 68.868 -0.111 0.000 0.877 298 T HN 0.636 nan 8.240 nan 0.000 0.457 299 E N 1.558 121.718 120.200 -0.066 0.000 2.396 299 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 299 E C 1.419 178.006 176.600 -0.021 0.000 1.023 299 E CA 1.159 57.531 56.400 -0.047 0.000 0.857 299 E CB -0.475 29.206 29.700 -0.032 0.000 0.775 299 E HN 0.487 nan 8.360 nan 0.000 0.525 300 N N 0.307 118.992 118.700 -0.026 0.000 2.416 300 N HA 0.052 4.792 4.740 -0.000 0.000 0.177 300 N C -0.022 175.486 175.510 -0.003 0.000 1.036 300 N CA 0.226 53.269 53.050 -0.011 0.000 0.901 300 N CB 0.316 38.790 38.487 -0.021 0.000 0.976 300 N HN 0.167 nan 8.380 nan 0.000 0.444 301 I N 2.131 122.693 120.570 -0.013 0.000 2.270 301 I HA 0.023 4.193 4.170 -0.000 0.000 0.300 301 I C 1.043 177.256 176.117 0.160 0.000 1.186 301 I CA 0.435 61.755 61.300 0.033 0.000 1.431 301 I CB -0.786 37.216 38.000 0.003 0.000 1.485 301 I HN 0.158 nan 8.210 nan 0.000 0.650 302 T N 1.952 116.593 114.554 0.145 0.000 3.085 302 T HA 0.013 4.363 4.350 -0.000 0.000 0.263 302 T C 0.660 175.498 174.700 0.230 0.000 1.127 302 T CA 0.313 62.554 62.100 0.235 0.000 1.103 302 T CB -0.028 68.912 68.868 0.120 0.000 0.921 302 T HN 0.696 nan 8.240 nan 0.000 0.510 303 K N -0.543 119.843 120.400 -0.022 0.000 2.597 303 K HA 0.520 4.840 4.320 -0.000 0.000 0.282 303 K C -3.704 172.676 176.600 -0.367 0.000 0.975 303 K CA -2.337 53.467 56.287 -0.806 0.000 0.867 303 K CB 0.646 32.144 32.500 -1.669 0.000 1.465 303 K HN -0.281 nan 8.250 nan 0.000 0.417 304 P HA 0.037 nan 4.420 nan 0.000 0.261 304 P C -0.732 176.562 177.300 -0.009 0.000 1.183 304 P CA 0.286 63.356 63.100 -0.051 0.000 0.761 304 P CB 0.244 31.958 31.700 0.022 0.000 0.785 305 I N 3.167 123.777 120.570 0.067 0.000 2.342 305 I HA 0.165 4.335 4.170 -0.000 0.000 0.291 305 I C 1.354 177.518 176.117 0.078 0.000 1.010 305 I CA 0.159 61.493 61.300 0.057 0.000 1.308 305 I CB 1.280 39.308 38.000 0.047 0.000 1.400 305 I HN 0.391 nan 8.210 nan 0.000 0.488 306 T N 2.587 117.173 114.554 0.055 0.000 3.058 306 T HA 0.328 4.678 4.350 -0.000 0.000 0.278 306 T C 0.272 174.988 174.700 0.026 0.000 0.974 306 T CA -0.477 61.648 62.100 0.042 0.000 0.893 306 T CB 0.237 69.109 68.868 0.007 0.000 1.138 306 T HN 0.681 nan 8.240 nan 0.000 0.529 307 R N -0.137 120.387 120.500 0.040 0.000 2.663 307 R HA 0.759 5.099 4.340 -0.000 0.000 0.267 307 R C -1.905 174.411 176.300 0.027 0.000 1.038 307 R CA -1.077 55.038 56.100 0.024 0.000 0.886 307 R CB 1.549 31.842 30.300 -0.012 0.000 1.249 307 R HN 0.005 nan 8.270 nan 0.000 0.463 308 V N 0.662 120.580 119.914 0.008 0.000 2.881 308 V HA 0.641 4.761 4.120 -0.000 0.000 0.316 308 V C -0.453 175.596 176.094 -0.075 0.000 1.070 308 V CA -0.897 61.342 62.300 -0.103 0.000 0.976 308 V CB 1.935 33.741 31.823 -0.028 0.000 1.038 308 V HN 0.785 nan 8.190 nan 0.000 0.446 309 K N 2.441 122.751 120.400 -0.150 0.000 2.687 309 K HA 0.508 4.828 4.320 -0.000 0.000 0.249 309 K C -2.091 174.480 176.600 -0.048 0.000 0.994 309 K CA -0.622 55.623 56.287 -0.070 0.000 0.913 309 K CB 1.629 34.078 32.500 -0.084 0.000 1.202 309 K HN 0.557 nan 8.250 nan 0.000 0.460 310 L N 3.926 125.188 121.223 0.064 0.000 2.265 310 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 310 L C -1.055 175.904 176.870 0.147 0.000 1.033 310 L CA 0.345 55.246 54.840 0.100 0.000 0.814 310 L CB 1.180 43.326 42.059 0.146 0.000 1.203 310 L HN 0.686 nan 8.230 nan 0.000 0.423 311 S N 3.805 119.598 115.700 0.154 0.000 2.632 311 S HA 0.798 5.268 4.470 -0.000 0.000 0.289 311 S C -0.906 173.848 174.600 0.256 0.000 1.115 311 S CA -0.711 57.595 58.200 0.178 0.000 0.889 311 S CB 1.655 64.893 63.200 0.063 0.000 1.116 311 S HN 0.654 nan 8.310 nan 0.000 0.486 312 Y N -0.558 119.732 120.300 -0.017 0.000 2.588 312 Y HA 0.827 5.377 4.550 -0.000 0.000 0.343 312 Y C -1.317 174.459 175.900 -0.206 0.000 1.065 312 Y CA -1.138 56.839 58.100 -0.204 0.000 1.038 312 Y CB 1.488 39.706 38.460 -0.404 0.000 1.297 312 Y HN 0.997 nan 8.280 nan 0.000 0.467 313 K N 3.858 123.930 120.400 -0.547 0.000 2.508 313 K HA 0.714 5.034 4.320 -0.000 0.000 0.260 313 K C -1.409 174.886 176.600 -0.509 0.000 0.949 313 K CA -0.811 55.127 56.287 -0.582 0.000 0.834 313 K CB 2.899 35.202 32.500 -0.328 0.000 1.365 313 K HN 0.912 nan 8.250 nan 0.000 0.437 314 I N -1.788 118.475 120.570 -0.512 0.000 4.030 314 I HA 0.528 4.698 4.170 -0.000 0.000 0.248 314 I C -0.025 175.897 176.117 -0.324 0.000 1.284 314 I CA -0.951 60.041 61.300 -0.513 0.000 1.223 314 I CB 1.196 38.800 38.000 -0.659 0.000 1.446 314 I HN 0.748 nan 8.210 nan 0.000 0.519 315 N N -1.732 116.795 118.700 -0.289 0.000 2.104 315 N HA 0.126 4.866 4.740 -0.000 0.000 0.227 315 N C -0.812 174.621 175.510 -0.129 0.000 1.321 315 N CA 0.175 53.121 53.050 -0.174 0.000 0.877 315 N CB 0.997 39.404 38.487 -0.135 0.000 1.117 315 N HN 0.532 nan 8.380 nan 0.000 0.486 316 Q N 0.184 119.900 119.800 -0.140 0.000 2.359 316 Q HA 0.311 4.651 4.340 -0.000 0.000 0.274 316 Q C 0.000 175.950 176.000 -0.083 0.000 1.074 316 Q CA -0.548 55.202 55.803 -0.089 0.000 0.810 316 Q CB 1.750 30.452 28.738 -0.060 0.000 1.342 316 Q HN 0.080 nan 8.270 nan 0.000 0.427 317 Q N 0.364 120.128 119.800 -0.059 0.000 2.119 317 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 317 Q C 1.391 177.371 176.000 -0.034 0.000 0.972 317 Q CA 1.841 57.616 55.803 -0.048 0.000 0.847 317 Q CB -0.233 28.483 28.738 -0.037 0.000 0.903 317 Q HN 0.875 nan 8.270 nan 0.000 0.433 318 T N -2.627 111.911 114.554 -0.027 0.000 3.439 318 T HA 0.393 4.743 4.350 -0.000 0.000 0.251 318 T C 1.024 175.724 174.700 0.000 0.000 1.108 318 T CA 0.518 62.610 62.100 -0.012 0.000 0.982 318 T CB 0.059 68.921 68.868 -0.010 0.000 1.024 318 T HN 0.205 nan 8.240 nan 0.000 0.573 319 A N 0.212 123.026 122.820 -0.009 0.000 2.263 319 A HA 0.475 4.795 4.320 -0.000 0.000 0.200 319 A C 1.812 179.409 177.584 0.020 0.000 1.428 319 A CA -0.248 51.798 52.037 0.016 0.000 1.050 319 A CB 0.090 19.072 19.000 -0.030 0.000 1.226 319 A HN 0.497 nan 8.150 nan 0.000 0.501 320 I N 0.430 120.992 120.570 -0.013 0.000 2.454 320 I HA -0.147 4.023 4.170 -0.000 0.000 0.254 320 I C 2.167 178.298 176.117 0.023 0.000 1.156 320 I CA 1.582 62.876 61.300 -0.010 0.000 1.433 320 I CB -0.251 37.729 38.000 -0.034 0.000 1.082 320 I HN 0.392 nan 8.210 nan 0.000 0.432 321 G N 0.096 108.912 108.800 0.027 0.000 3.088 321 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.217 321 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.217 321 G C 0.488 175.420 174.900 0.055 0.000 1.159 321 G CA -0.165 44.956 45.100 0.035 0.000 0.760 321 G HN 0.137 nan 8.290 nan 0.000 0.550 322 N N 2.000 120.746 118.700 0.077 0.000 2.555 322 N HA 0.168 4.908 4.740 -0.000 0.000 0.244 322 N C 0.483 176.074 175.510 0.134 0.000 1.114 322 N CA -0.345 52.769 53.050 0.106 0.000 0.963 322 N CB 0.865 39.432 38.487 0.133 0.000 1.276 322 N HN 0.020 nan 8.380 nan 0.000 0.510 323 V N 1.411 121.390 119.914 0.107 0.000 2.475 323 V HA 0.276 4.396 4.120 -0.000 0.000 0.292 323 V C 0.796 176.963 176.094 0.122 0.000 1.003 323 V CA -1.151 61.210 62.300 0.101 0.000 1.120 323 V CB -0.594 31.275 31.823 0.076 0.000 0.937 323 V HN 0.558 nan 8.190 nan 0.000 0.476 324 A N 4.125 127.011 122.820 0.109 0.000 2.253 324 A HA 0.658 4.978 4.320 -0.000 0.000 0.316 324 A C 0.475 178.100 177.584 0.069 0.000 1.327 324 A CA -0.355 51.747 52.037 0.109 0.000 0.917 324 A CB 0.313 19.292 19.000 -0.036 0.000 1.162 324 A HN 0.872 nan 8.150 nan 0.000 0.535 325 T N 3.014 117.633 114.554 0.108 0.000 2.909 325 T HA 0.374 4.724 4.350 -0.000 0.000 0.286 325 T C 1.319 176.076 174.700 0.094 0.000 1.002 325 T CA -0.239 61.905 62.100 0.074 0.000 1.074 325 T CB 0.952 69.856 68.868 0.059 0.000 0.984 325 T HN 0.498 nan 8.240 nan 0.000 0.495 326 L N 1.855 123.110 121.223 0.053 0.000 2.253 326 L HA 0.223 4.563 4.340 -0.000 0.000 0.205 326 L C 2.651 179.536 176.870 0.026 0.000 1.078 326 L CA 0.454 55.326 54.840 0.053 0.000 0.805 326 L CB -0.336 41.729 42.059 0.010 0.000 0.963 326 L HN 0.853 nan 8.230 nan 0.000 0.459 327 G N -0.815 107.990 108.800 0.010 0.000 2.625 327 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 327 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 327 G C 1.397 176.285 174.900 -0.020 0.000 1.132 327 G CA 0.985 46.080 45.100 -0.008 0.000 0.782 327 G HN 0.245 nan 8.290 nan 0.000 0.538 328 T N 1.475 116.017 114.554 -0.021 0.000 2.665 328 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 328 T C 2.164 176.828 174.700 -0.061 0.000 1.035 328 T CA 1.165 63.238 62.100 -0.044 0.000 1.151 328 T CB -0.136 68.695 68.868 -0.061 0.000 0.862 328 T HN 0.175 nan 8.240 nan 0.000 0.438 329 M N 0.640 120.197 119.600 -0.072 0.000 2.428 329 M HA 0.331 4.811 4.480 -0.000 0.000 0.239 329 M C 1.131 177.396 176.300 -0.060 0.000 1.121 329 M CA 0.242 55.495 55.300 -0.078 0.000 1.019 329 M CB -0.388 32.151 32.600 -0.102 0.000 1.485 329 M HN 0.447 nan 8.290 nan 0.000 0.484 330 G N 1.043 109.814 108.800 -0.049 0.000 2.357 330 G HA2 0.018 3.978 3.960 -0.000 0.000 0.643 330 G HA3 0.018 3.978 3.960 -0.000 0.000 0.643 330 G C -3.273 171.603 174.900 -0.040 0.000 1.358 330 G CA -1.381 43.694 45.100 -0.042 0.000 0.986 330 G HN -0.028 nan 8.290 nan 0.000 0.620 331 P HA 0.395 nan 4.420 nan 0.000 0.264 331 P C 0.172 177.446 177.300 -0.044 0.000 1.183 331 P CA 0.798 63.876 63.100 -0.036 0.000 0.763 331 P CB 0.710 32.389 31.700 -0.035 0.000 0.807 332 A N 2.515 125.309 122.820 -0.044 0.000 2.415 332 A HA 0.482 4.802 4.320 -0.000 0.000 0.309 332 A C 0.249 177.796 177.584 -0.063 0.000 1.356 332 A CA 0.244 52.245 52.037 -0.058 0.000 0.998 332 A CB -0.513 18.456 19.000 -0.052 0.000 1.145 332 A HN 0.399 nan 8.150 nan 0.000 0.545 333 S N 1.886 117.547 115.700 -0.065 0.000 2.543 333 S HA 0.579 5.049 4.470 -0.000 0.000 0.271 333 S C -1.324 173.252 174.600 -0.039 0.000 1.148 333 S CA -0.375 57.792 58.200 -0.056 0.000 0.914 333 S CB 1.338 64.507 63.200 -0.051 0.000 1.096 333 S HN 0.721 nan 8.310 nan 0.000 0.471 334 V N 4.398 124.303 119.914 -0.016 0.000 2.487 334 V HA 0.727 4.847 4.120 -0.000 0.000 0.298 334 V C -0.018 176.133 176.094 0.093 0.000 1.028 334 V CA -0.536 61.792 62.300 0.047 0.000 0.860 334 V CB 1.640 33.508 31.823 0.076 0.000 0.991 334 V HN 0.964 nan 8.190 nan 0.000 0.427 335 S N 4.728 120.489 115.700 0.102 0.000 2.607 335 S HA 0.939 5.409 4.470 -0.000 0.000 0.303 335 S C -0.918 173.811 174.600 0.215 0.000 1.086 335 S CA -0.666 57.559 58.200 0.040 0.000 0.995 335 S CB 2.008 65.188 63.200 -0.033 0.000 1.084 335 S HN 0.675 nan 8.310 nan 0.000 0.507 336 F N -0.929 119.098 119.950 0.130 0.000 2.591 336 F HA 0.820 5.347 4.527 -0.000 0.000 0.309 336 F C -0.388 175.486 175.800 0.123 0.000 1.098 336 F CA -0.959 57.124 58.000 0.139 0.000 0.937 336 F CB 1.713 40.835 39.000 0.204 0.000 1.250 336 F HN 0.637 nan 8.300 nan 0.000 0.447 337 S N 1.777 117.603 115.700 0.210 0.000 2.605 337 S HA 0.709 5.179 4.470 -0.000 0.000 0.308 337 S C -1.194 173.480 174.600 0.122 0.000 1.113 337 S CA -0.408 57.856 58.200 0.106 0.000 1.049 337 S CB 1.055 64.281 63.200 0.045 0.000 1.001 337 S HN 0.741 nan 8.310 nan 0.000 0.480 338 S N 3.457 119.226 115.700 0.116 0.000 2.451 338 S HA 0.663 5.133 4.470 -0.000 0.000 0.301 338 S C 0.641 175.269 174.600 0.047 0.000 1.116 338 S CA -0.743 57.508 58.200 0.086 0.000 1.093 338 S CB 1.417 64.685 63.200 0.113 0.000 1.017 338 S HN 0.988 nan 8.310 nan 0.000 0.482 339 G N 0.913 109.731 108.800 0.030 0.000 2.491 339 G HA2 0.263 4.223 3.960 -0.000 0.000 0.238 339 G HA3 0.263 4.223 3.960 -0.000 0.000 0.238 339 G C 0.380 175.292 174.900 0.020 0.000 1.277 339 G CA -0.375 44.738 45.100 0.022 0.000 0.851 339 G HN 0.996 nan 8.290 nan 0.000 0.573 340 N N -0.169 118.545 118.700 0.023 0.000 2.857 340 N HA -0.282 4.458 4.740 -0.000 0.000 0.242 340 N C 1.739 177.263 175.510 0.023 0.000 0.983 340 N CA 0.889 53.954 53.050 0.024 0.000 0.934 340 N CB -0.952 37.549 38.487 0.022 0.000 1.115 340 N HN 0.729 nan 8.380 nan 0.000 0.593 341 G N 0.807 109.622 108.800 0.025 0.000 2.505 341 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 341 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 341 G C 1.211 176.123 174.900 0.020 0.000 1.145 341 G CA 1.382 46.502 45.100 0.033 0.000 0.761 341 G HN 0.351 nan 8.290 nan 0.000 0.571 342 N N -0.158 118.542 118.700 -0.001 0.000 2.270 342 N HA 0.125 4.865 4.740 -0.000 0.000 0.198 342 N C 0.084 175.592 175.510 -0.003 0.000 1.117 342 N CA -0.128 52.915 53.050 -0.012 0.000 0.845 342 N CB 0.767 39.234 38.487 -0.033 0.000 0.980 342 N HN 0.077 nan 8.380 nan 0.000 0.486 343 V N 3.197 123.116 119.914 0.008 0.000 2.479 343 V HA 0.123 4.243 4.120 -0.000 0.000 0.281 343 V C -1.990 174.109 176.094 0.009 0.000 1.031 343 V CA -1.249 61.057 62.300 0.009 0.000 1.038 343 V CB 0.688 32.523 31.823 0.019 0.000 0.981 343 V HN -0.005 nan 8.190 nan 0.000 0.478 344 P HA 0.254 nan 4.420 nan 0.000 0.263 344 P C 0.940 178.242 177.300 0.003 0.000 1.195 344 P CA 1.276 64.370 63.100 -0.011 0.000 0.762 344 P CB 0.631 32.307 31.700 -0.039 0.000 0.799 345 G N 1.480 110.298 108.800 0.030 0.000 2.352 345 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.204 345 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.204 345 G C 0.939 175.904 174.900 0.108 0.000 1.004 345 G CA 0.142 45.279 45.100 0.061 0.000 0.648 345 G HN 0.367 nan 8.290 nan 0.000 0.491 346 V N 0.810 120.774 119.914 0.082 0.000 2.323 346 V HA 0.214 4.334 4.120 -0.000 0.000 0.244 346 V C 2.455 178.618 176.094 0.116 0.000 1.041 346 V CA 2.216 64.561 62.300 0.076 0.000 1.025 346 V CB -0.156 31.692 31.823 0.041 0.000 0.656 346 V HN 0.390 nan 8.190 nan 0.000 0.451 347 L N -1.596 119.711 121.223 0.141 0.000 2.803 347 L HA 0.333 4.673 4.340 -0.000 0.000 0.246 347 L C 0.961 177.962 176.870 0.217 0.000 1.100 347 L CA 0.057 55.021 54.840 0.208 0.000 0.919 347 L CB 0.658 42.819 42.059 0.170 0.000 1.285 347 L HN 0.204 nan 8.230 nan 0.000 0.522 348 R N 1.597 122.181 120.500 0.139 0.000 2.621 348 R HA 0.443 4.783 4.340 -0.000 0.000 0.284 348 R C -3.031 173.298 176.300 0.050 0.000 0.998 348 R CA -1.398 54.749 56.100 0.079 0.000 0.895 348 R CB 2.986 33.299 30.300 0.022 0.000 1.195 348 R HN -0.270 nan 8.270 nan 0.000 0.450 349 P HA 0.396 nan 4.420 nan 0.000 0.286 349 P C -0.585 176.759 177.300 0.074 0.000 1.292 349 P CA -0.728 62.381 63.100 0.014 0.000 0.842 349 P CB 1.403 33.075 31.700 -0.045 0.000 1.207 350 I N -3.537 117.077 120.570 0.074 0.000 2.910 350 I HA 0.679 4.849 4.170 -0.000 0.000 0.310 350 I C -0.957 175.154 176.117 -0.010 0.000 1.043 350 I CA -0.762 60.547 61.300 0.015 0.000 1.053 350 I CB 2.267 40.263 38.000 -0.007 0.000 1.242 350 I HN 0.046 nan 8.210 nan 0.000 0.452 351 T N 5.270 119.760 114.554 -0.106 0.000 2.809 351 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 351 T C -0.360 174.251 174.700 -0.148 0.000 0.992 351 T CA -0.419 61.620 62.100 -0.101 0.000 0.957 351 T CB 1.195 69.993 68.868 -0.117 0.000 0.942 351 T HN 0.373 nan 8.240 nan 0.000 0.439 352 L N 3.335 124.499 121.223 -0.098 0.000 2.289 352 L HA 0.700 5.040 4.340 -0.000 0.000 0.285 352 L C -0.507 176.319 176.870 -0.074 0.000 1.049 352 L CA -1.043 53.735 54.840 -0.103 0.000 0.804 352 L CB 1.441 43.437 42.059 -0.105 0.000 1.195 352 L HN 0.309 nan 8.230 nan 0.000 0.428 353 V N 2.821 122.710 119.914 -0.042 0.000 2.380 353 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 353 V C 0.180 176.334 176.094 0.100 0.000 1.015 353 V CA -0.506 61.804 62.300 0.018 0.000 0.834 353 V CB 1.521 33.361 31.823 0.029 0.000 1.009 353 V HN 0.859 nan 8.190 nan 0.000 0.428 354 A N 5.398 128.272 122.820 0.089 0.000 2.301 354 A HA 0.874 5.194 4.320 -0.000 0.000 0.312 354 A C -0.854 176.948 177.584 0.362 0.000 1.182 354 A CA -0.420 51.723 52.037 0.177 0.000 0.826 354 A CB 0.657 19.744 19.000 0.145 0.000 1.134 354 A HN 1.043 nan 8.150 nan 0.000 0.501 355 Y N 0.209 120.695 120.300 0.310 0.000 2.446 355 Y HA 0.751 5.301 4.550 -0.000 0.000 0.345 355 Y C -0.335 175.662 175.900 0.162 0.000 0.984 355 Y CA -0.918 57.330 58.100 0.248 0.000 1.058 355 Y CB 1.268 39.826 38.460 0.163 0.000 1.220 355 Y HN 0.861 nan 8.280 nan 0.000 0.455 356 E N 1.512 121.765 120.200 0.087 0.000 2.433 356 E HA 0.447 4.797 4.350 -0.000 0.000 0.278 356 E C -1.203 175.348 176.600 -0.082 0.000 0.976 356 E CA -1.403 54.919 56.400 -0.131 0.000 0.793 356 E CB 1.703 31.102 29.700 -0.502 0.000 1.311 356 E HN 0.628 nan 8.360 nan 0.000 0.460 357 K N 0.925 121.276 120.400 -0.082 0.000 3.077 357 K HA -0.184 4.136 4.320 -0.000 0.000 0.264 357 K C -0.510 176.099 176.600 0.014 0.000 1.008 357 K CA 0.910 57.167 56.287 -0.050 0.000 0.740 357 K CB -1.589 30.854 32.500 -0.094 0.000 1.273 357 K HN 0.618 nan 8.250 nan 0.000 0.477 358 M N 0.440 120.085 119.600 0.076 0.000 2.367 358 M HA 0.110 4.590 4.480 -0.000 0.000 0.339 358 M C 0.613 176.948 176.300 0.059 0.000 1.177 358 M CA -0.253 55.095 55.300 0.080 0.000 1.068 358 M CB 1.502 34.179 32.600 0.127 0.000 1.602 358 M HN -0.025 nan 8.290 nan 0.000 0.457 359 T N 4.310 118.885 114.554 0.036 0.000 2.829 359 T HA 0.142 4.492 4.350 -0.000 0.000 0.293 359 T C -2.320 172.402 174.700 0.036 0.000 0.970 359 T CA -0.708 61.409 62.100 0.028 0.000 1.168 359 T CB -0.221 68.657 68.868 0.017 0.000 0.911 359 T HN 0.329 nan 8.240 nan 0.000 0.535 360 P HA 0.111 nan 4.420 nan 0.000 0.267 360 P C 0.817 178.138 177.300 0.035 0.000 1.201 360 P CA -0.028 63.100 63.100 0.047 0.000 0.775 360 P CB 0.261 31.984 31.700 0.040 0.000 0.854 361 L N -2.098 119.148 121.223 0.038 0.000 4.884 361 L HA -0.266 4.074 4.340 -0.000 0.000 0.430 361 L C 0.708 177.588 176.870 0.016 0.000 1.087 361 L CA 0.722 55.578 54.840 0.026 0.000 1.033 361 L CB -2.400 39.672 42.059 0.021 0.000 2.030 361 L HN 0.534 nan 8.230 nan 0.000 0.762 362 S N 0.701 116.409 115.700 0.013 0.000 2.681 362 S HA 0.802 5.272 4.470 -0.000 0.000 0.270 362 S C 0.019 174.607 174.600 -0.019 0.000 1.209 362 S CA -0.674 57.525 58.200 -0.002 0.000 0.988 362 S CB 2.261 65.459 63.200 -0.004 0.000 1.006 362 S HN 0.330 nan 8.310 nan 0.000 0.558 363 I N -0.556 119.994 120.570 -0.033 0.000 2.406 363 I HA 0.577 4.747 4.170 -0.000 0.000 0.290 363 I C -1.080 174.985 176.117 -0.088 0.000 0.999 363 I CA -1.160 60.108 61.300 -0.052 0.000 1.124 363 I CB 1.366 39.349 38.000 -0.029 0.000 1.289 363 I HN 0.524 nan 8.210 nan 0.000 0.441 364 L N 5.844 126.975 121.223 -0.153 0.000 2.270 364 L HA 0.401 4.741 4.340 -0.000 0.000 0.286 364 L C 0.240 177.030 176.870 -0.133 0.000 1.059 364 L CA 0.427 55.147 54.840 -0.199 0.000 0.839 364 L CB 1.102 42.913 42.059 -0.413 0.000 1.221 364 L HN 0.812 nan 8.230 nan 0.000 0.431 365 T N 4.499 119.012 114.554 -0.067 0.000 2.780 365 T HA 0.517 4.867 4.350 -0.000 0.000 0.294 365 T C -0.606 174.100 174.700 0.009 0.000 0.949 365 T CA -0.329 61.760 62.100 -0.018 0.000 1.074 365 T CB 0.341 69.207 68.868 -0.004 0.000 0.910 365 T HN 0.366 nan 8.240 nan 0.000 0.501 366 V N 4.860 124.808 119.914 0.056 0.000 2.409 366 V HA 0.738 4.858 4.120 -0.000 0.000 0.291 366 V C 0.147 176.318 176.094 0.128 0.000 1.020 366 V CA -0.931 61.436 62.300 0.111 0.000 0.848 366 V CB 1.230 33.148 31.823 0.159 0.000 0.990 366 V HN 1.097 nan 8.190 nan 0.000 0.430 367 A N 3.905 126.781 122.820 0.094 0.000 2.303 367 A HA 0.894 5.214 4.320 -0.000 0.000 0.320 367 A C 0.213 177.819 177.584 0.036 0.000 1.192 367 A CA -0.143 51.924 52.037 0.049 0.000 0.821 367 A CB 1.291 20.304 19.000 0.021 0.000 1.188 367 A HN 1.000 nan 8.150 nan 0.000 0.492 368 G N 0.211 109.009 108.800 -0.002 0.000 2.453 368 G HA2 0.603 4.563 3.960 -0.000 0.000 0.323 368 G HA3 0.603 4.563 3.960 -0.000 0.000 0.323 368 G C -1.215 173.622 174.900 -0.105 0.000 1.198 368 G CA -0.579 44.459 45.100 -0.104 0.000 0.959 368 G HN 1.001 nan 8.290 nan 0.000 0.482 369 V N 0.539 120.356 119.914 -0.161 0.000 2.623 369 V HA 0.653 4.773 4.120 -0.000 0.000 0.304 369 V C -0.399 175.609 176.094 -0.144 0.000 1.054 369 V CA -0.858 61.380 62.300 -0.104 0.000 0.882 369 V CB 1.712 33.491 31.823 -0.073 0.000 1.002 369 V HN 0.834 nan 8.190 nan 0.000 0.424 370 S N 3.917 119.560 115.700 -0.095 0.000 2.536 370 S HA 0.627 5.097 4.470 -0.000 0.000 0.287 370 S C -0.924 173.560 174.600 -0.193 0.000 1.101 370 S CA -0.934 57.144 58.200 -0.203 0.000 0.950 370 S CB 1.713 64.799 63.200 -0.189 0.000 1.056 370 S HN 0.730 nan 8.310 nan 0.000 0.481 371 N N 1.497 120.003 118.700 -0.323 0.000 2.354 371 N HA 0.480 5.220 4.740 -0.000 0.000 0.287 371 N C -1.636 173.689 175.510 -0.308 0.000 1.016 371 N CA -0.289 52.658 53.050 -0.172 0.000 0.871 371 N CB 1.471 39.916 38.487 -0.070 0.000 1.299 371 N HN 0.520 nan 8.380 nan 0.000 0.482 372 Y N 0.024 120.302 120.300 -0.038 0.000 2.587 372 Y HA 0.362 4.912 4.550 -0.000 0.000 0.337 372 Y C 0.509 176.382 175.900 -0.044 0.000 1.065 372 Y CA -0.846 57.217 58.100 -0.061 0.000 1.126 372 Y CB 1.606 40.000 38.460 -0.110 0.000 1.279 372 Y HN 0.253 nan 8.280 nan 0.000 0.489 373 E N 2.237 122.501 120.200 0.106 0.000 2.133 373 E HA 0.529 4.879 4.350 -0.000 0.000 0.274 373 E C -1.349 175.371 176.600 0.199 0.000 0.930 373 E CA -0.366 56.088 56.400 0.091 0.000 0.770 373 E CB 1.333 30.932 29.700 -0.167 0.000 1.104 373 E HN 0.431 nan 8.360 nan 0.000 0.403 374 L N 3.397 124.728 121.223 0.179 0.000 2.323 374 L HA 0.600 4.940 4.340 -0.000 0.000 0.265 374 L C -0.360 176.661 176.870 0.252 0.000 1.012 374 L CA -1.037 53.856 54.840 0.088 0.000 0.820 374 L CB 1.877 43.606 42.059 -0.550 0.000 1.334 374 L HN 0.431 nan 8.230 nan 0.000 0.427 375 I N 2.556 123.318 120.570 0.320 0.000 2.382 375 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 375 I C -2.303 174.053 176.117 0.398 0.000 1.007 375 I CA -1.952 59.526 61.300 0.296 0.000 1.142 375 I CB 1.852 39.974 38.000 0.203 0.000 1.289 375 I HN 0.186 nan 8.210 nan 0.000 0.453 376 P HA -0.014 nan 4.420 nan 0.000 0.267 376 P C -0.789 176.526 177.300 0.026 0.000 1.200 376 P CA -0.103 63.091 63.100 0.156 0.000 0.772 376 P CB 0.288 32.032 31.700 0.073 0.000 0.855 377 N N 3.898 122.530 118.700 -0.114 0.000 2.482 377 N HA 0.110 4.850 4.740 -0.000 0.000 0.260 377 N C -1.521 173.948 175.510 -0.068 0.000 1.236 377 N CA -1.264 51.739 53.050 -0.078 0.000 0.938 377 N CB -0.249 38.165 38.487 -0.122 0.000 1.128 377 N HN 0.229 nan 8.380 nan 0.000 0.448 378 P HA -0.245 nan 4.420 nan 0.000 0.218 378 P C 0.651 177.924 177.300 -0.045 0.000 1.146 378 P CA 1.359 64.441 63.100 -0.031 0.000 0.820 378 P CB 0.219 31.906 31.700 -0.022 0.000 0.778 379 E N -0.140 120.022 120.200 -0.064 0.000 2.046 379 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 379 E C 2.212 178.766 176.600 -0.076 0.000 0.982 379 E CA 0.709 57.069 56.400 -0.067 0.000 0.800 379 E CB -0.679 28.976 29.700 -0.076 0.000 0.756 379 E HN 0.303 nan 8.360 nan 0.000 0.449 380 L N 0.688 121.845 121.223 -0.110 0.000 2.291 380 L HA -0.080 4.260 4.340 -0.000 0.000 0.214 380 L C 2.390 179.221 176.870 -0.065 0.000 1.120 380 L CA 0.225 54.996 54.840 -0.114 0.000 0.799 380 L CB -0.116 41.816 42.059 -0.212 0.000 0.925 380 L HN 0.125 nan 8.230 nan 0.000 0.446 381 L N -0.546 120.647 121.223 -0.050 0.000 2.201 381 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 381 L C 2.376 179.230 176.870 -0.026 0.000 1.105 381 L CA 1.132 55.956 54.840 -0.027 0.000 0.775 381 L CB -0.386 41.661 42.059 -0.020 0.000 0.913 381 L HN 0.255 nan 8.230 nan 0.000 0.440 382 K N -0.150 120.232 120.400 -0.031 0.000 2.209 382 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 382 K C 1.286 177.872 176.600 -0.023 0.000 1.048 382 K CA 1.081 57.352 56.287 -0.026 0.000 0.940 382 K CB 0.020 32.503 32.500 -0.028 0.000 0.729 382 K HN 0.395 nan 8.250 nan 0.000 0.451 383 N N -0.838 117.848 118.700 -0.024 0.000 2.211 383 N HA 0.073 4.813 4.740 -0.000 0.000 0.216 383 N C -0.252 175.251 175.510 -0.011 0.000 1.240 383 N CA -0.003 53.037 53.050 -0.018 0.000 0.895 383 N CB 0.782 39.258 38.487 -0.019 0.000 1.102 383 N HN 0.065 nan 8.380 nan 0.000 0.498 384 M N 2.101 121.695 119.600 -0.010 0.000 2.180 384 M HA 0.276 4.756 4.480 -0.000 0.000 0.350 384 M C -0.732 175.567 176.300 -0.000 0.000 1.125 384 M CA -0.488 54.816 55.300 0.006 0.000 1.031 384 M CB 1.638 34.254 32.600 0.026 0.000 1.623 384 M HN -0.318 nan 8.290 nan 0.000 0.451 385 V N 3.483 123.394 119.914 -0.005 0.000 2.614 385 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 385 V C 0.430 176.503 176.094 -0.035 0.000 1.049 385 V CA -0.525 61.760 62.300 -0.025 0.000 1.038 385 V CB 0.700 32.507 31.823 -0.027 0.000 0.980 385 V HN 0.901 nan 8.190 nan 0.000 0.481 386 T N 3.269 117.782 114.554 -0.068 0.000 2.855 386 T HA 0.788 5.138 4.350 -0.000 0.000 0.281 386 T C -0.481 174.108 174.700 -0.185 0.000 1.007 386 T CA -0.975 61.060 62.100 -0.108 0.000 1.009 386 T CB 1.518 70.325 68.868 -0.101 0.000 0.983 386 T HN 0.683 nan 8.240 nan 0.000 0.455 387 R N 1.238 121.591 120.500 -0.245 0.000 2.744 387 R HA 0.430 4.770 4.340 -0.000 0.000 0.279 387 R C -0.959 175.166 176.300 -0.291 0.000 0.977 387 R CA -0.946 55.002 56.100 -0.252 0.000 0.906 387 R CB 1.839 32.042 30.300 -0.162 0.000 1.197 387 R HN 0.658 nan 8.270 nan 0.000 0.463 388 Y N 0.273 120.527 120.300 -0.076 0.000 2.457 388 Y HA 0.118 4.668 4.550 -0.000 0.000 0.341 388 Y C 1.696 177.594 175.900 -0.004 0.000 1.240 388 Y CA 0.009 58.105 58.100 -0.007 0.000 1.437 388 Y CB 0.642 39.115 38.460 0.023 0.000 1.328 388 Y HN 0.730 nan 8.280 nan 0.000 0.588 389 G N 2.653 111.650 108.800 0.329 0.000 2.559 389 G HA2 0.022 3.982 3.960 -0.000 0.000 0.235 389 G HA3 0.022 3.982 3.960 -0.000 0.000 0.235 389 G C -0.549 174.460 174.900 0.182 0.000 1.266 389 G CA -0.684 44.578 45.100 0.271 0.000 0.847 389 G HN 0.571 nan 8.290 nan 0.000 0.583 390 K N -0.177 120.307 120.400 0.141 0.000 2.518 390 K HA -0.073 4.247 4.320 -0.000 0.000 0.276 390 K C -0.398 176.299 176.600 0.161 0.000 0.974 390 K CA 0.101 56.466 56.287 0.129 0.000 0.986 390 K CB 0.439 32.995 32.500 0.093 0.000 0.901 390 K HN 0.495 nan 8.250 nan 0.000 0.497 391 Y N 2.801 123.118 120.300 0.028 0.000 2.584 391 Y HA 0.002 4.552 4.550 -0.000 0.000 0.351 391 Y C -0.485 175.418 175.900 0.005 0.000 1.030 391 Y CA -0.379 57.727 58.100 0.010 0.000 1.332 391 Y CB 0.151 38.614 38.460 0.004 0.000 1.148 391 Y HN 0.420 nan 8.280 nan 0.000 0.528 392 D N 8.491 128.690 120.400 -0.334 0.000 2.405 392 D HA 0.312 4.952 4.640 -0.000 0.000 0.264 392 D C -2.179 173.897 176.300 -0.373 0.000 1.240 392 D CA -1.956 51.845 54.000 -0.331 0.000 0.893 392 D CB 1.308 42.029 40.800 -0.131 0.000 1.198 392 D HN 0.298 nan 8.370 nan 0.000 0.514 393 P HA -0.034 nan 4.420 nan 0.000 0.216 393 P C 0.868 178.063 177.300 -0.176 0.000 1.153 393 P CA 0.829 63.721 63.100 -0.347 0.000 0.848 393 P CB 0.569 32.046 31.700 -0.371 0.000 0.787 394 E N -1.242 118.864 120.200 -0.156 0.000 2.472 394 E HA 0.130 4.480 4.350 -0.000 0.000 0.196 394 E C 2.050 178.637 176.600 -0.022 0.000 1.033 394 E CA 0.385 56.742 56.400 -0.071 0.000 0.886 394 E CB -0.731 28.930 29.700 -0.065 0.000 0.944 394 E HN 0.178 nan 8.360 nan 0.000 0.492 395 G N 1.790 110.562 108.800 -0.048 0.000 2.491 395 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 395 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 395 G C 1.554 176.504 174.900 0.085 0.000 1.180 395 G CA 0.868 45.990 45.100 0.037 0.000 0.774 395 G HN 0.273 nan 8.290 nan 0.000 0.562 396 L N 0.933 122.120 121.223 -0.060 0.000 2.056 396 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 396 L C 2.429 179.228 176.870 -0.118 0.000 1.078 396 L CA 1.671 56.404 54.840 -0.179 0.000 0.749 396 L CB -0.601 41.257 42.059 -0.335 0.000 0.901 396 L HN 0.088 nan 8.230 nan 0.000 0.433 397 N N -1.292 117.385 118.700 -0.039 0.000 2.104 397 N HA -0.277 4.463 4.740 -0.000 0.000 0.190 397 N C 1.785 177.352 175.510 0.095 0.000 1.024 397 N CA 1.614 54.674 53.050 0.016 0.000 0.853 397 N CB -0.642 37.864 38.487 0.033 0.000 1.008 397 N HN 0.428 nan 8.380 nan 0.000 0.424 398 Y N 1.437 121.740 120.300 0.005 0.000 2.128 398 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 398 Y C 2.269 178.204 175.900 0.059 0.000 1.154 398 Y CA 1.562 59.687 58.100 0.043 0.000 1.149 398 Y CB -0.756 37.734 38.460 0.050 0.000 0.976 398 Y HN 0.095 nan 8.280 nan 0.000 0.505 399 A N 0.123 122.971 122.820 0.046 0.000 1.902 399 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 399 A C 2.262 179.869 177.584 0.039 0.000 1.181 399 A CA 1.926 53.957 52.037 -0.010 0.000 0.623 399 A CB -0.599 18.454 19.000 0.089 0.000 0.818 399 A HN 0.499 nan 8.150 nan 0.000 0.443 400 K N -1.056 119.372 120.400 0.046 0.000 2.103 400 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 400 K C 2.121 178.733 176.600 0.020 0.000 1.048 400 K CA 1.599 57.943 56.287 0.094 0.000 0.930 400 K CB -0.249 32.284 32.500 0.055 0.000 0.716 400 K HN 0.622 nan 8.250 nan 0.000 0.444 401 M N 0.650 120.242 119.600 -0.012 0.000 2.236 401 M HA -0.108 4.372 4.480 -0.000 0.000 0.266 401 M C 1.633 177.918 176.300 -0.024 0.000 1.070 401 M CA 1.293 56.581 55.300 -0.020 0.000 1.137 401 M CB 0.118 32.750 32.600 0.053 0.000 1.378 401 M HN 0.010 nan 8.290 nan 0.000 0.426 402 I N 1.137 121.655 120.570 -0.086 0.000 2.286 402 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 402 I C 2.348 178.461 176.117 -0.007 0.000 1.104 402 I CA 1.193 62.465 61.300 -0.048 0.000 1.397 402 I CB -1.488 36.423 38.000 -0.148 0.000 1.072 402 I HN 0.360 nan 8.210 nan 0.000 0.417 403 L N 0.073 121.284 121.223 -0.020 0.000 2.191 403 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 403 L C 2.713 179.555 176.870 -0.046 0.000 1.103 403 L CA 1.151 55.985 54.840 -0.010 0.000 0.769 403 L CB -0.562 41.512 42.059 0.025 0.000 0.908 403 L HN 0.269 nan 8.230 nan 0.000 0.438 404 S N -0.389 115.249 115.700 -0.104 0.000 2.343 404 S HA -0.185 4.285 4.470 -0.000 0.000 0.219 404 S C 1.556 175.981 174.600 -0.292 0.000 1.033 404 S CA 0.963 59.017 58.200 -0.244 0.000 1.014 404 S CB -0.260 62.696 63.200 -0.408 0.000 0.915 404 S HN 0.485 nan 8.310 nan 0.000 0.435 405 H N 1.284 120.355 119.070 0.002 0.000 2.704 405 H HA 0.247 4.803 4.556 -0.000 0.000 0.315 405 H C 1.709 177.039 175.328 0.003 0.000 1.117 405 H CA -0.052 55.998 56.048 0.003 0.000 1.129 405 H CB -0.262 29.505 29.762 0.007 0.000 1.439 405 H HN 0.416 nan 8.280 nan 0.000 0.528 406 R N 1.341 121.870 120.500 0.048 0.000 2.152 406 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 406 R C 0.810 177.120 176.300 0.017 0.000 1.117 406 R CA 1.146 57.264 56.100 0.029 0.000 0.981 406 R CB 0.344 30.639 30.300 -0.008 0.000 0.870 406 R HN 0.477 nan 8.270 nan 0.000 0.451 407 E N -0.238 119.974 120.200 0.020 0.000 2.166 407 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 407 E C 1.716 178.328 176.600 0.020 0.000 0.967 407 E CA 0.272 56.674 56.400 0.004 0.000 0.840 407 E CB 0.009 29.707 29.700 -0.002 0.000 0.795 407 E HN 0.429 nan 8.360 nan 0.000 0.470 408 E N 1.371 121.602 120.200 0.052 0.000 2.007 408 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 408 E C 0.969 177.592 176.600 0.037 0.000 0.999 408 E CA 0.605 57.033 56.400 0.046 0.000 0.811 408 E CB 0.003 29.741 29.700 0.064 0.000 0.762 408 E HN 0.024 nan 8.360 nan 0.000 0.450 409 L N 0.428 121.686 121.223 0.058 0.000 2.367 409 L HA 0.012 4.352 4.340 -0.000 0.000 0.215 409 L C 0.531 177.427 176.870 0.043 0.000 1.197 409 L CA 0.160 55.038 54.840 0.063 0.000 0.836 409 L CB -0.006 42.114 42.059 0.102 0.000 1.242 409 L HN 0.075 nan 8.230 nan 0.000 0.553 410 D N -0.067 120.366 120.400 0.055 0.000 2.749 410 D HA 0.333 4.973 4.640 -0.000 0.000 0.338 410 D C -0.837 175.417 176.300 -0.077 0.000 1.236 410 D CA -0.367 53.617 54.000 -0.026 0.000 0.845 410 D CB 0.070 40.851 40.800 -0.032 0.000 1.080 410 D HN 0.117 nan 8.370 nan 0.000 0.497 411 I N 1.620 122.183 120.570 -0.011 0.000 2.416 411 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 411 I C 0.782 176.775 176.117 -0.206 0.000 1.051 411 I CA 0.136 61.456 61.300 0.034 0.000 1.375 411 I CB 0.651 38.721 38.000 0.118 0.000 1.407 411 I HN -0.029 nan 8.210 nan 0.000 0.516 412 R N 2.864 123.089 120.500 -0.459 0.000 2.803 412 R HA 0.474 4.814 4.340 -0.000 0.000 0.276 412 R C 0.820 176.993 176.300 -0.212 0.000 0.978 412 R CA -0.444 55.255 56.100 -0.668 0.000 0.939 412 R CB 1.639 31.018 30.300 -1.537 0.000 1.179 412 R HN 0.703 nan 8.270 nan 0.000 0.472 413 T N -2.769 111.697 114.554 -0.145 0.000 3.051 413 T HA 0.129 4.479 4.350 -0.000 0.000 0.255 413 T C 0.590 175.318 174.700 0.046 0.000 1.085 413 T CA 0.232 62.344 62.100 0.021 0.000 1.109 413 T CB 0.351 69.215 68.868 -0.006 0.000 0.921 413 T HN 0.175 nan 8.240 nan 0.000 0.488 414 V N 1.750 121.603 119.914 -0.101 0.000 2.443 414 V HA 0.541 4.661 4.120 -0.000 0.000 0.293 414 V C -1.438 174.599 176.094 -0.095 0.000 1.021 414 V CA -1.393 60.896 62.300 -0.019 0.000 0.848 414 V CB 1.057 32.856 31.823 -0.039 0.000 0.998 414 V HN 0.454 nan 8.190 nan 0.000 0.424 415 W N 2.930 124.228 121.300 -0.003 0.000 2.719 415 W HA 0.664 5.324 4.660 -0.000 0.000 0.352 415 W C 0.355 176.901 176.519 0.043 0.000 1.085 415 W CA -0.979 56.390 57.345 0.040 0.000 1.187 415 W CB 1.170 30.678 29.460 0.081 0.000 1.417 415 W HN 0.302 nan 8.180 nan 0.000 0.557 416 R N 1.438 122.127 120.500 0.314 0.000 2.296 416 R HA 0.141 4.481 4.340 -0.000 0.000 0.323 416 R C 0.998 177.456 176.300 0.264 0.000 1.067 416 R CA 0.009 56.243 56.100 0.224 0.000 0.946 416 R CB 0.602 31.002 30.300 0.167 0.000 0.991 416 R HN 0.552 nan 8.270 nan 0.000 0.448 417 T N 2.242 116.915 114.554 0.198 0.000 2.680 417 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 417 T C 1.739 176.548 174.700 0.181 0.000 1.033 417 T CA 2.036 64.244 62.100 0.181 0.000 1.152 417 T CB -0.079 68.860 68.868 0.118 0.000 0.859 417 T HN 0.704 nan 8.240 nan 0.000 0.452 418 E N 1.497 121.782 120.200 0.142 0.000 2.204 418 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 418 E C 1.709 178.380 176.600 0.119 0.000 0.990 418 E CA 1.286 57.751 56.400 0.108 0.000 0.821 418 E CB -0.234 29.517 29.700 0.085 0.000 0.750 418 E HN 0.611 nan 8.360 nan 0.000 0.477 419 E N -0.119 120.192 120.200 0.184 0.000 2.060 419 E HA -0.120 4.230 4.350 -0.000 0.000 0.189 419 E C 1.946 178.674 176.600 0.213 0.000 0.974 419 E CA 0.788 57.320 56.400 0.221 0.000 0.808 419 E CB -0.369 29.514 29.700 0.305 0.000 0.768 419 E HN 0.282 nan 8.360 nan 0.000 0.453 420 Y N 2.542 122.902 120.300 0.100 0.000 2.193 420 Y HA -0.289 4.261 4.550 -0.000 0.000 0.285 420 Y C 1.951 177.697 175.900 -0.256 0.000 1.166 420 Y CA 1.565 59.448 58.100 -0.361 0.000 1.181 420 Y CB 0.094 38.206 38.460 -0.581 0.000 0.976 420 Y HN -0.162 nan 8.280 nan 0.000 0.520 421 K N 0.422 120.737 120.400 -0.142 0.000 2.009 421 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 421 K C 2.144 178.626 176.600 -0.196 0.000 1.049 421 K CA 1.869 58.043 56.287 -0.189 0.000 0.929 421 K CB -0.525 31.959 32.500 -0.026 0.000 0.714 421 K HN 0.562 nan 8.250 nan 0.000 0.440 422 E N 1.227 121.372 120.200 -0.092 0.000 2.016 422 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 422 E C 1.617 178.172 176.600 -0.074 0.000 0.985 422 E CA 0.777 57.140 56.400 -0.061 0.000 0.802 422 E CB 0.084 29.780 29.700 -0.006 0.000 0.762 422 E HN 0.199 nan 8.360 nan 0.000 0.448 423 R N 0.087 120.566 120.500 -0.035 0.000 2.369 423 R HA -0.001 4.339 4.340 -0.000 0.000 0.200 423 R C 1.676 177.960 176.300 -0.026 0.000 1.046 423 R CA 0.675 56.786 56.100 0.019 0.000 1.057 423 R CB -0.041 30.363 30.300 0.173 0.000 0.888 423 R HN 0.119 nan 8.270 nan 0.000 0.474 424 T N 0.404 114.856 114.554 -0.170 0.000 3.033 424 T HA 0.063 4.413 4.350 -0.000 0.000 0.248 424 T C 1.392 176.072 174.700 -0.033 0.000 1.040 424 T CA 0.299 62.294 62.100 -0.176 0.000 1.133 424 T CB 0.236 68.715 68.868 -0.648 0.000 0.895 424 T HN 0.206 nan 8.240 nan 0.000 0.465 425 R N 1.070 121.511 120.500 -0.098 0.000 2.357 425 R HA 0.076 4.416 4.340 -0.000 0.000 0.202 425 R C 1.718 177.973 176.300 -0.075 0.000 1.047 425 R CA 0.175 56.237 56.100 -0.063 0.000 1.034 425 R CB -0.319 29.939 30.300 -0.069 0.000 0.875 425 R HN 0.225 nan 8.270 nan 0.000 0.473 426 V N 0.083 119.907 119.914 -0.150 0.000 2.970 426 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 426 V C 0.762 176.606 176.094 -0.418 0.000 1.100 426 V CA 1.345 63.460 62.300 -0.307 0.000 1.122 426 V CB -0.278 31.279 31.823 -0.443 0.000 0.721 426 V HN 0.224 nan 8.190 nan 0.000 0.483 427 F N 0.587 120.528 119.950 -0.016 0.000 2.819 427 F HA 0.387 4.914 4.527 -0.000 0.000 0.294 427 F C 0.768 176.561 175.800 -0.011 0.000 1.166 427 F CA -0.554 57.450 58.000 0.007 0.000 1.374 427 F CB -0.812 38.193 39.000 0.008 0.000 0.956 427 F HN 0.114 nan 8.300 nan 0.000 0.509 428 N N 0.000 118.740 118.700 0.067 0.000 1.763 428 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 428 N CA 0.000 53.072 53.050 0.037 0.000 0.885 428 N CB 0.000 38.517 38.487 0.050 0.000 1.341 428 N HN 0.000 nan 8.380 nan 0.000 0.667