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 2eil_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.822 175.800 0.037 0.000 0.967 2 F CA 0.000 58.051 58.000 0.084 0.000 1.383 2 F CB 0.000 39.054 39.000 0.090 0.000 1.145 3 I N 1.500 122.097 120.570 0.045 0.000 2.252 3 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 3 I C 1.728 177.505 176.117 -0.567 0.000 1.102 3 I CA 1.572 62.728 61.300 -0.241 0.000 1.385 3 I CB -0.477 37.356 38.000 -0.279 0.000 1.064 3 I HN 0.271 nan 8.210 nan 0.000 0.414 4 N N 0.730 119.175 118.700 -0.424 0.000 2.104 4 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 4 N C 1.901 177.241 175.510 -0.283 0.000 1.024 4 N CA 1.274 54.141 53.050 -0.305 0.000 0.853 4 N CB -0.319 38.090 38.487 -0.130 0.000 1.008 4 N HN 0.284 nan 8.380 nan 0.000 0.424 5 R N -1.041 119.207 120.500 -0.420 0.000 2.075 5 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 5 R C 1.202 176.980 176.300 -0.870 0.000 1.114 5 R CA 1.175 56.861 56.100 -0.691 0.000 0.972 5 R CB -0.100 29.652 30.300 -0.914 0.000 0.869 5 R HN 0.273 nan 8.270 nan 0.000 0.437 6 W N -1.044 120.021 121.300 -0.391 0.000 3.107 6 W HA 0.197 4.857 4.660 -0.000 0.000 0.293 6 W C 0.951 177.469 176.519 -0.001 0.000 1.239 6 W CA -0.577 56.591 57.345 -0.295 0.000 1.653 6 W CB 0.504 29.611 29.460 -0.589 0.000 1.068 6 W HN 0.085 nan 8.180 nan 0.000 0.615 7 L N -1.873 119.374 121.223 0.040 0.000 2.577 7 L HA 0.228 4.568 4.340 -0.000 0.000 0.225 7 L C 0.823 177.878 176.870 0.309 0.000 1.053 7 L CA 0.864 55.738 54.840 0.057 0.000 0.866 7 L CB -0.370 41.493 42.059 -0.326 0.000 1.132 7 L HN -0.180 nan 8.230 nan 0.000 0.486 8 F N -1.048 118.901 119.950 -0.001 0.000 2.708 8 F HA 0.397 4.924 4.527 -0.000 0.000 0.300 8 F C 1.271 177.062 175.800 -0.015 0.000 1.118 8 F CA -1.142 56.850 58.000 -0.013 0.000 1.307 8 F CB -1.035 37.937 39.000 -0.047 0.000 0.986 8 F HN -0.192 nan 8.300 nan 0.000 0.522 9 S N 0.998 116.784 115.700 0.144 0.000 2.558 9 S HA 0.147 4.617 4.470 -0.000 0.000 0.287 9 S C 1.115 175.732 174.600 0.029 0.000 1.321 9 S CA 0.872 59.074 58.200 0.004 0.000 1.048 9 S CB 0.328 63.462 63.200 -0.110 0.000 0.844 9 S HN 0.494 nan 8.310 nan 0.000 0.512 10 T N 1.081 115.624 114.554 -0.018 0.000 3.399 10 T HA 0.294 4.644 4.350 -0.000 0.000 0.305 10 T C -0.233 174.410 174.700 -0.095 0.000 0.983 10 T CA -0.681 61.408 62.100 -0.019 0.000 0.967 10 T CB -0.487 68.392 68.868 0.018 0.000 1.186 10 T HN 0.556 nan 8.240 nan 0.000 0.504 11 N N 1.445 120.019 118.700 -0.210 0.000 2.392 11 N HA 0.161 4.901 4.740 -0.000 0.000 0.283 11 N C 1.007 176.272 175.510 -0.408 0.000 1.003 11 N CA -0.273 52.522 53.050 -0.424 0.000 0.892 11 N CB 1.495 39.477 38.487 -0.842 0.000 1.193 11 N HN 0.557 nan 8.380 nan 0.000 0.487 12 H N 3.226 122.046 119.070 -0.415 0.000 2.421 12 H HA 0.009 4.565 4.556 -0.000 0.000 0.298 12 H C 0.971 175.946 175.328 -0.588 0.000 1.087 12 H CA 1.400 57.211 56.048 -0.395 0.000 1.330 12 H CB 0.328 29.900 29.762 -0.318 0.000 1.388 12 H HN 0.508 nan 8.280 nan 0.000 0.526 13 K N 0.238 119.764 120.400 -1.456 0.000 2.076 13 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 13 K C 1.513 177.401 176.600 -1.187 0.000 1.051 13 K CA 1.213 56.393 56.287 -1.845 0.000 0.949 13 K CB 0.135 31.451 32.500 -1.972 0.000 0.726 13 K HN 0.251 nan 8.250 nan 0.000 0.443 14 D N 1.225 121.172 120.400 -0.755 0.000 2.144 14 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 14 D C 1.858 178.013 176.300 -0.242 0.000 0.978 14 D CA 0.961 54.727 54.000 -0.391 0.000 0.833 14 D CB -0.121 40.319 40.800 -0.601 0.000 0.961 14 D HN 0.134 nan 8.370 nan 0.000 0.470 15 I N 0.645 121.021 120.570 -0.323 0.000 2.252 15 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 15 I C 2.487 178.547 176.117 -0.096 0.000 1.102 15 I CA 1.206 62.362 61.300 -0.239 0.000 1.385 15 I CB -0.406 37.520 38.000 -0.123 0.000 1.064 15 I HN 0.021 nan 8.210 nan 0.000 0.414 16 G N 0.070 108.774 108.800 -0.160 0.000 2.450 16 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 16 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 16 G C 1.658 176.625 174.900 0.111 0.000 1.130 16 G CA 1.401 46.496 45.100 -0.008 0.000 0.760 16 G HN 0.278 nan 8.290 nan 0.000 0.557 17 T N 1.152 115.731 114.554 0.041 0.000 2.777 17 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 17 T C 2.425 177.139 174.700 0.024 0.000 1.040 17 T CA 0.649 62.852 62.100 0.172 0.000 1.141 17 T CB -0.163 68.864 68.868 0.264 0.000 0.868 17 T HN 0.150 nan 8.240 nan 0.000 0.444 18 L N -0.436 120.679 121.223 -0.180 0.000 2.042 18 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 18 L C 2.372 179.051 176.870 -0.319 0.000 1.076 18 L CA 1.541 56.052 54.840 -0.549 0.000 0.749 18 L CB -0.579 40.632 42.059 -1.415 0.000 0.893 18 L HN 0.269 nan 8.230 nan 0.000 0.432 19 Y N -0.025 120.176 120.300 -0.165 0.000 2.181 19 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 19 Y C 2.422 178.458 175.900 0.227 0.000 1.146 19 Y CA 1.405 59.613 58.100 0.179 0.000 1.164 19 Y CB -0.371 38.174 38.460 0.141 0.000 0.982 19 Y HN 0.046 nan 8.280 nan 0.000 0.515 20 L N -0.999 120.397 121.223 0.289 0.000 2.083 20 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 20 L C 2.228 179.243 176.870 0.241 0.000 1.083 20 L CA 1.021 55.988 54.840 0.213 0.000 0.752 20 L CB -0.636 41.507 42.059 0.141 0.000 0.899 20 L HN 0.255 nan 8.230 nan 0.000 0.433 21 L N -1.399 119.956 121.223 0.219 0.000 2.027 21 L HA -0.238 4.102 4.340 -0.000 0.000 0.206 21 L C 2.563 179.611 176.870 0.296 0.000 1.074 21 L CA 1.326 56.288 54.840 0.203 0.000 0.745 21 L CB -0.566 41.553 42.059 0.100 0.000 0.898 21 L HN 0.159 nan 8.230 nan 0.000 0.433 22 F N 0.991 121.074 119.950 0.221 0.000 2.069 22 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 22 F C 2.268 178.290 175.800 0.370 0.000 1.113 22 F CA 1.789 59.965 58.000 0.293 0.000 1.214 22 F CB -0.674 38.520 39.000 0.323 0.000 0.978 22 F HN -0.003 nan 8.300 nan 0.000 0.474 23 G N -0.480 108.627 108.800 0.511 0.000 2.442 23 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 23 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 23 G C 1.777 176.801 174.900 0.207 0.000 1.141 23 G CA 0.841 46.157 45.100 0.360 0.000 0.763 23 G HN 0.642 nan 8.290 nan 0.000 0.554 24 A N -0.195 122.737 122.820 0.188 0.000 1.898 24 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 24 A C 2.147 179.805 177.584 0.124 0.000 1.181 24 A CA 1.525 53.627 52.037 0.108 0.000 0.620 24 A CB -0.693 18.363 19.000 0.093 0.000 0.819 24 A HN 0.528 nan 8.150 nan 0.000 0.442 25 W N 0.571 121.864 121.300 -0.013 0.000 2.355 25 W HA -0.102 4.558 4.660 -0.000 0.000 0.309 25 W C 2.517 179.018 176.519 -0.029 0.000 1.206 25 W CA 2.183 59.498 57.345 -0.049 0.000 1.284 25 W CB -0.186 29.212 29.460 -0.102 0.000 1.145 25 W HN 0.352 nan 8.180 nan 0.000 0.502 26 A N 0.401 123.329 122.820 0.181 0.000 1.940 26 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 26 A C 2.208 179.827 177.584 0.058 0.000 1.176 26 A CA 2.009 54.168 52.037 0.204 0.000 0.631 26 A CB -1.680 17.439 19.000 0.198 0.000 0.814 26 A HN 0.411 nan 8.150 nan 0.000 0.446 27 G N -0.873 107.947 108.800 0.032 0.000 2.442 27 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 27 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 27 G C 1.471 176.341 174.900 -0.049 0.000 1.141 27 G CA 1.334 46.439 45.100 0.008 0.000 0.763 27 G HN 0.355 nan 8.290 nan 0.000 0.554 28 M N 0.428 119.939 119.600 -0.148 0.000 2.132 28 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 28 M C 2.788 178.956 176.300 -0.219 0.000 1.065 28 M CA 0.695 55.870 55.300 -0.208 0.000 1.122 28 M CB -1.230 31.169 32.600 -0.335 0.000 1.365 28 M HN 0.117 nan 8.290 nan 0.000 0.411 29 V N 0.341 120.078 119.914 -0.296 0.000 2.295 29 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 29 V C 2.634 178.728 176.094 -0.001 0.000 1.049 29 V CA 2.114 64.304 62.300 -0.184 0.000 1.024 29 V CB -1.755 30.002 31.823 -0.110 0.000 0.648 29 V HN 0.567 nan 8.190 nan 0.000 0.447 30 G N -0.863 107.965 108.800 0.046 0.000 2.443 30 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 30 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 30 G C 1.666 176.661 174.900 0.158 0.000 1.131 30 G CA 1.432 46.600 45.100 0.112 0.000 0.775 30 G HN 0.482 nan 8.290 nan 0.000 0.547 31 T N 1.374 115.966 114.554 0.063 0.000 2.812 31 T HA 0.129 4.479 4.350 -0.000 0.000 0.264 31 T C 2.853 177.551 174.700 -0.002 0.000 1.042 31 T CA 1.209 63.334 62.100 0.043 0.000 1.140 31 T CB -0.271 68.595 68.868 -0.003 0.000 0.870 31 T HN 0.340 nan 8.240 nan 0.000 0.445 32 A N 1.400 124.202 122.820 -0.031 0.000 1.902 32 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 32 A C 2.287 179.859 177.584 -0.019 0.000 1.181 32 A CA 1.246 53.254 52.037 -0.050 0.000 0.623 32 A CB -0.927 18.034 19.000 -0.065 0.000 0.818 32 A HN 0.459 nan 8.150 nan 0.000 0.443 33 L N 0.320 121.562 121.223 0.032 0.000 2.042 33 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 33 L C 3.053 179.899 176.870 -0.039 0.000 1.076 33 L CA 1.730 56.598 54.840 0.046 0.000 0.749 33 L CB -0.470 41.677 42.059 0.147 0.000 0.893 33 L HN 0.640 nan 8.230 nan 0.000 0.432 34 S N -0.301 115.374 115.700 -0.041 0.000 2.423 34 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 34 S C 1.919 176.443 174.600 -0.126 0.000 1.014 34 S CA 0.778 58.848 58.200 -0.217 0.000 0.965 34 S CB -0.441 62.714 63.200 -0.075 0.000 0.785 34 S HN 0.377 nan 8.310 nan 0.000 0.495 35 L N 0.340 121.505 121.223 -0.098 0.000 2.131 35 L HA 0.127 4.467 4.340 -0.000 0.000 0.206 35 L C 2.551 179.401 176.870 -0.034 0.000 1.087 35 L CA 0.712 55.477 54.840 -0.125 0.000 0.767 35 L CB -0.442 41.477 42.059 -0.232 0.000 0.917 35 L HN 0.310 nan 8.230 nan 0.000 0.441 36 L N -0.416 120.795 121.223 -0.018 0.000 2.083 36 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 36 L C 2.432 179.350 176.870 0.080 0.000 1.083 36 L CA 1.347 56.208 54.840 0.035 0.000 0.752 36 L CB -0.320 41.754 42.059 0.024 0.000 0.899 36 L HN 0.217 nan 8.230 nan 0.000 0.433 37 I N -0.714 119.871 120.570 0.026 0.000 2.142 37 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 37 I C 2.623 178.858 176.117 0.197 0.000 1.078 37 I CA 1.233 62.595 61.300 0.103 0.000 1.343 37 I CB -0.329 37.635 38.000 -0.060 0.000 1.046 37 I HN 0.229 nan 8.210 nan 0.000 0.405 38 R N 0.724 121.286 120.500 0.102 0.000 2.189 38 R HA -0.001 4.339 4.340 -0.000 0.000 0.218 38 R C 2.211 178.618 176.300 0.178 0.000 1.074 38 R CA 1.117 57.292 56.100 0.124 0.000 0.991 38 R CB -0.358 29.983 30.300 0.069 0.000 0.883 38 R HN 0.368 nan 8.270 nan 0.000 0.457 39 A N 1.270 124.205 122.820 0.193 0.000 1.897 39 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 39 A C 2.093 179.768 177.584 0.151 0.000 1.181 39 A CA 1.431 53.590 52.037 0.203 0.000 0.620 39 A CB -0.234 18.881 19.000 0.192 0.000 0.821 39 A HN 0.217 nan 8.150 nan 0.000 0.443 40 E N 0.424 120.725 120.200 0.169 0.000 2.077 40 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 40 E C 1.558 178.223 176.600 0.108 0.000 0.989 40 E CA 1.302 57.786 56.400 0.140 0.000 0.800 40 E CB -0.369 29.471 29.700 0.232 0.000 0.746 40 E HN 0.569 nan 8.360 nan 0.000 0.452 41 L N -0.499 120.825 121.223 0.169 0.000 2.591 41 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 41 L C 2.126 179.128 176.870 0.220 0.000 1.133 41 L CA 0.340 55.319 54.840 0.231 0.000 0.880 41 L CB -0.181 42.004 42.059 0.210 0.000 1.033 41 L HN 0.253 nan 8.230 nan 0.000 0.450 42 G N 0.692 109.577 108.800 0.142 0.000 2.448 42 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 42 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 42 G C 0.596 175.550 174.900 0.090 0.000 1.127 42 G CA 0.430 45.586 45.100 0.094 0.000 0.766 42 G HN 0.548 nan 8.290 nan 0.000 0.552 43 Q N -0.930 118.930 119.800 0.100 0.000 2.391 43 Q HA 0.524 4.864 4.340 -0.000 0.000 0.279 43 Q C -3.314 172.688 176.000 0.004 0.000 1.028 43 Q CA -2.135 53.712 55.803 0.073 0.000 0.836 43 Q CB 1.853 30.599 28.738 0.014 0.000 1.414 43 Q HN -0.113 nan 8.270 nan 0.000 0.397 44 P HA 0.371 nan 4.420 nan 0.000 0.267 44 P C -0.041 177.138 177.300 -0.201 0.000 1.200 44 P CA 1.435 64.365 63.100 -0.284 0.000 0.772 44 P CB 0.534 32.137 31.700 -0.162 0.000 0.855 45 G N 0.617 109.269 108.800 -0.248 0.000 2.525 45 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.685 45 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.685 45 G C -1.078 173.734 174.900 -0.146 0.000 1.290 45 G CA -0.886 44.120 45.100 -0.156 0.000 0.915 45 G HN 0.532 nan 8.290 nan 0.000 0.548 46 T N 0.874 115.368 114.554 -0.099 0.000 2.767 46 T HA 0.498 4.848 4.350 -0.000 0.000 0.284 46 T C 1.216 175.894 174.700 -0.038 0.000 0.973 46 T CA 0.299 62.353 62.100 -0.077 0.000 0.996 46 T CB 1.587 70.416 68.868 -0.066 0.000 0.927 46 T HN 0.889 nan 8.240 nan 0.000 0.456 47 L N 4.381 125.594 121.223 -0.016 0.000 2.265 47 L HA 0.407 4.747 4.340 -0.000 0.000 0.195 47 L C 1.804 178.693 176.870 0.032 0.000 1.083 47 L CA 1.142 55.991 54.840 0.014 0.000 0.798 47 L CB -0.333 41.747 42.059 0.035 0.000 0.989 47 L HN 0.623 nan 8.230 nan 0.000 0.472 48 L N -0.936 120.321 121.223 0.056 0.000 2.102 48 L HA 0.363 4.703 4.340 -0.000 0.000 0.202 48 L C 1.228 178.132 176.870 0.057 0.000 1.076 48 L CA 0.617 55.500 54.840 0.072 0.000 0.761 48 L CB -0.691 41.439 42.059 0.118 0.000 0.921 48 L HN 0.497 nan 8.230 nan 0.000 0.444 49 G N -0.741 108.090 108.800 0.050 0.000 2.367 49 G HA2 0.077 4.037 3.960 -0.000 0.000 0.272 49 G HA3 0.077 4.037 3.960 -0.000 0.000 0.272 49 G C -1.832 173.084 174.900 0.025 0.000 1.271 49 G CA -0.095 45.026 45.100 0.035 0.000 0.893 49 G HN 0.141 nan 8.290 nan 0.000 0.485 50 D N -0.274 120.141 120.400 0.025 0.000 2.398 50 D HA 0.273 4.913 4.640 -0.000 0.000 0.264 50 D C 0.570 176.902 176.300 0.054 0.000 1.263 50 D CA -0.074 53.933 54.000 0.010 0.000 1.037 50 D CB 0.230 41.033 40.800 0.005 0.000 1.101 50 D HN 0.188 nan 8.370 nan 0.000 0.551 51 D N -1.380 119.046 120.400 0.045 0.000 2.309 51 D HA -0.143 4.497 4.640 -0.000 0.000 0.212 51 D C 1.643 178.053 176.300 0.183 0.000 0.968 51 D CA 0.864 54.939 54.000 0.125 0.000 0.882 51 D CB -0.024 40.824 40.800 0.080 0.000 0.918 51 D HN 0.408 nan 8.370 nan 0.000 0.503 52 Q N 0.907 120.783 119.800 0.126 0.000 1.990 52 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 52 Q C 2.154 178.239 176.000 0.142 0.000 0.980 52 Q CA 0.949 56.828 55.803 0.127 0.000 0.832 52 Q CB -0.513 28.271 28.738 0.077 0.000 0.897 52 Q HN 0.360 nan 8.270 nan 0.000 0.427 53 I N -0.277 120.371 120.570 0.130 0.000 2.226 53 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 53 I C 2.032 178.237 176.117 0.145 0.000 1.100 53 I CA 1.413 62.786 61.300 0.123 0.000 1.374 53 I CB -0.197 37.868 38.000 0.107 0.000 1.057 53 I HN 0.449 nan 8.210 nan 0.000 0.413 54 Y N 1.887 122.229 120.300 0.070 0.000 2.128 54 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 54 Y C 2.300 178.257 175.900 0.094 0.000 1.154 54 Y CA 2.152 60.299 58.100 0.079 0.000 1.149 54 Y CB -0.339 38.168 38.460 0.078 0.000 0.976 54 Y HN 0.240 nan 8.280 nan 0.000 0.505 55 N N -0.191 118.573 118.700 0.107 0.000 2.459 55 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 55 N C 1.769 177.288 175.510 0.016 0.000 1.046 55 N CA 1.146 54.215 53.050 0.031 0.000 0.904 55 N CB -0.033 38.545 38.487 0.153 0.000 0.964 55 N HN 0.306 nan 8.380 nan 0.000 0.444 56 V N 0.357 120.304 119.914 0.054 0.000 2.548 56 V HA -0.108 4.012 4.120 -0.000 0.000 0.249 56 V C 2.339 178.461 176.094 0.047 0.000 1.055 56 V CA 0.876 63.222 62.300 0.077 0.000 1.065 56 V CB -0.173 31.713 31.823 0.105 0.000 0.681 56 V HN 0.027 nan 8.190 nan 0.000 0.462 57 V N -0.383 119.521 119.914 -0.017 0.000 2.307 57 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 57 V C 2.430 178.489 176.094 -0.059 0.000 1.045 57 V CA 1.837 64.114 62.300 -0.038 0.000 1.024 57 V CB -0.234 31.533 31.823 -0.093 0.000 0.651 57 V HN 0.390 nan 8.190 nan 0.000 0.449 58 V N -0.018 119.783 119.914 -0.189 0.000 2.332 58 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 58 V C 2.571 178.672 176.094 0.012 0.000 1.055 58 V CA 2.702 64.934 62.300 -0.112 0.000 1.038 58 V CB -1.040 30.676 31.823 -0.178 0.000 0.651 58 V HN 0.629 nan 8.190 nan 0.000 0.450 59 T N 0.369 114.913 114.554 -0.017 0.000 2.708 59 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 59 T C 2.059 176.737 174.700 -0.036 0.000 1.037 59 T CA 1.711 63.771 62.100 -0.068 0.000 1.146 59 T CB -0.466 68.397 68.868 -0.009 0.000 0.865 59 T HN 0.579 nan 8.240 nan 0.000 0.435 60 A N 1.143 124.042 122.820 0.132 0.000 1.933 60 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 60 A C 1.989 179.687 177.584 0.191 0.000 1.175 60 A CA 2.259 54.443 52.037 0.244 0.000 0.628 60 A CB -0.989 18.155 19.000 0.241 0.000 0.814 60 A HN 0.716 nan 8.150 nan 0.000 0.444 61 H N 0.316 119.411 119.070 0.042 0.000 2.289 61 H HA -0.083 4.473 4.556 -0.000 0.000 0.296 61 H C 2.102 177.410 175.328 -0.034 0.000 1.091 61 H CA 2.464 58.524 56.048 0.020 0.000 1.274 61 H CB -0.377 29.387 29.762 0.004 0.000 1.364 61 H HN 0.367 nan 8.280 nan 0.000 0.490 62 A N 0.011 122.682 122.820 -0.248 0.000 1.877 62 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 62 A C 2.243 179.614 177.584 -0.354 0.000 1.186 62 A CA 1.487 53.220 52.037 -0.507 0.000 0.620 62 A CB -1.076 17.561 19.000 -0.606 0.000 0.822 62 A HN 0.454 nan 8.150 nan 0.000 0.443 63 F N 0.027 119.934 119.950 -0.072 0.000 2.134 63 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 63 F C 2.546 178.250 175.800 -0.159 0.000 1.097 63 F CA 1.070 59.075 58.000 0.009 0.000 1.264 63 F CB -1.012 37.995 39.000 0.012 0.000 1.001 63 F HN 0.021 nan 8.300 nan 0.000 0.479 64 V N -0.335 119.636 119.914 0.096 0.000 2.261 64 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 64 V C 2.535 178.611 176.094 -0.030 0.000 1.047 64 V CA 1.575 63.911 62.300 0.060 0.000 1.015 64 V CB -0.542 31.383 31.823 0.169 0.000 0.642 64 V HN 0.211 nan 8.190 nan 0.000 0.446 65 M N -0.990 118.521 119.600 -0.148 0.000 2.117 65 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 65 M C 2.117 178.284 176.300 -0.221 0.000 1.065 65 M CA 1.961 57.142 55.300 -0.197 0.000 1.114 65 M CB -0.951 31.431 32.600 -0.363 0.000 1.361 65 M HN 0.288 nan 8.290 nan 0.000 0.408 66 I N -1.244 119.127 120.570 -0.331 0.000 2.188 66 I HA -0.240 3.930 4.170 -0.000 0.000 0.237 66 I C 2.020 177.857 176.117 -0.468 0.000 1.073 66 I CA 1.204 62.214 61.300 -0.484 0.000 1.359 66 I CB -0.351 37.194 38.000 -0.758 0.000 1.083 66 I HN 0.048 nan 8.210 nan 0.000 0.412 67 F N -0.500 119.281 119.950 -0.283 0.000 2.512 67 F HA -0.027 4.500 4.527 -0.000 0.000 0.296 67 F C 1.726 177.388 175.800 -0.231 0.000 1.110 67 F CA 0.853 58.637 58.000 -0.359 0.000 1.446 67 F CB -0.102 38.491 39.000 -0.677 0.000 1.092 67 F HN -0.030 nan 8.300 nan 0.000 0.554 68 F N -2.361 117.692 119.950 0.172 0.000 2.717 68 F HA 0.194 4.721 4.527 -0.000 0.000 0.297 68 F C 1.882 177.810 175.800 0.214 0.000 1.113 68 F CA 0.014 58.136 58.000 0.205 0.000 1.319 68 F CB -0.303 38.566 39.000 -0.218 0.000 1.097 68 F HN -0.094 nan 8.300 nan 0.000 0.595 69 M N -0.594 119.150 119.600 0.241 0.000 2.969 69 M HA 0.099 4.579 4.480 -0.000 0.000 0.234 69 M C 2.049 178.440 176.300 0.150 0.000 1.409 69 M CA 1.100 56.510 55.300 0.184 0.000 1.314 69 M CB -0.516 32.139 32.600 0.092 0.000 1.130 69 M HN -0.101 nan 8.290 nan 0.000 0.558 70 V N 1.802 121.746 119.914 0.049 0.000 2.233 70 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 70 V C 2.585 178.714 176.094 0.057 0.000 1.050 70 V CA 2.295 64.612 62.300 0.029 0.000 1.010 70 V CB -0.794 30.983 31.823 -0.076 0.000 0.637 70 V HN 0.513 nan 8.190 nan 0.000 0.444 71 M N -0.650 118.960 119.600 0.016 0.000 2.086 71 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 71 M C -0.042 176.330 176.300 0.121 0.000 1.067 71 M CA 2.361 57.683 55.300 0.037 0.000 1.116 71 M CB -1.480 31.122 32.600 0.003 0.000 1.348 71 M HN 0.290 nan 8.290 nan 0.000 0.407 72 P HA -0.098 nan 4.420 nan 0.000 0.216 72 P C 1.384 178.834 177.300 0.251 0.000 1.153 72 P CA 1.270 64.582 63.100 0.353 0.000 0.848 72 P CB -0.085 31.996 31.700 0.635 0.000 0.787 73 I N -1.936 118.786 120.570 0.253 0.000 2.163 73 I HA -0.227 3.943 4.170 -0.000 0.000 0.240 73 I C 2.406 178.674 176.117 0.251 0.000 1.081 73 I CA 1.653 63.083 61.300 0.216 0.000 1.353 73 I CB -0.503 37.638 38.000 0.234 0.000 1.054 73 I HN -0.078 nan 8.210 nan 0.000 0.407 74 M N 0.128 119.897 119.600 0.281 0.000 2.077 74 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 74 M C 2.289 178.727 176.300 0.229 0.000 1.070 74 M CA 2.075 57.580 55.300 0.341 0.000 1.125 74 M CB -0.232 32.486 32.600 0.197 0.000 1.339 74 M HN 0.169 nan 8.290 nan 0.000 0.409 75 I N -1.108 119.492 120.570 0.050 0.000 2.385 75 I HA -0.008 4.162 4.170 -0.000 0.000 0.244 75 I C 2.592 178.647 176.117 -0.104 0.000 1.089 75 I CA 1.066 62.307 61.300 -0.097 0.000 1.410 75 I CB -0.839 37.087 38.000 -0.125 0.000 1.117 75 I HN 0.289 nan 8.210 nan 0.000 0.429 76 G N 0.487 109.089 108.800 -0.330 0.000 2.394 76 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 76 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 76 G C 1.592 176.182 174.900 -0.516 0.000 1.165 76 G CA 0.820 45.278 45.100 -1.070 0.000 0.784 76 G HN 0.468 nan 8.290 nan 0.000 0.535 77 G N 0.400 109.120 108.800 -0.134 0.000 2.572 77 G HA2 0.049 4.009 3.960 -0.000 0.000 0.214 77 G HA3 0.049 4.009 3.960 -0.000 0.000 0.214 77 G C 1.540 176.440 174.900 0.001 0.000 1.246 77 G CA 0.407 45.502 45.100 -0.008 0.000 0.835 77 G HN 0.294 nan 8.290 nan 0.000 0.551 78 F N 1.757 121.782 119.950 0.125 0.000 2.126 78 F HA -0.009 4.518 4.527 -0.000 0.000 0.299 78 F C 2.956 178.870 175.800 0.189 0.000 1.096 78 F CA 0.911 58.953 58.000 0.070 0.000 1.255 78 F CB -0.294 38.688 39.000 -0.030 0.000 0.997 78 F HN 0.239 nan 8.300 nan 0.000 0.479 79 G N -0.019 109.029 108.800 0.413 0.000 2.433 79 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 79 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 79 G C 1.622 176.833 174.900 0.518 0.000 1.186 79 G CA 1.013 46.317 45.100 0.339 0.000 0.779 79 G HN 0.228 nan 8.290 nan 0.000 0.543 80 N N -0.188 118.766 118.700 0.422 0.000 2.120 80 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 80 N C 1.926 177.575 175.510 0.231 0.000 1.024 80 N CA 0.899 54.090 53.050 0.235 0.000 0.852 80 N CB -0.275 38.255 38.487 0.071 0.000 1.003 80 N HN 0.566 nan 8.380 nan 0.000 0.424 81 W N 1.448 122.756 121.300 0.014 0.000 2.378 81 W HA 0.018 4.678 4.660 -0.000 0.000 0.313 81 W C 2.177 178.724 176.519 0.047 0.000 1.197 81 W CA 0.647 57.930 57.345 -0.103 0.000 1.304 81 W CB -0.289 28.855 29.460 -0.528 0.000 1.148 81 W HN -0.001 nan 8.180 nan 0.000 0.494 82 L N -1.371 120.047 121.223 0.326 0.000 2.162 82 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 82 L C 2.088 179.084 176.870 0.209 0.000 1.086 82 L CA 0.305 55.250 54.840 0.176 0.000 0.778 82 L CB -1.324 40.652 42.059 -0.140 0.000 0.928 82 L HN -0.187 nan 8.230 nan 0.000 0.446 83 V N 0.773 120.845 119.914 0.262 0.000 2.255 83 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 83 V C -0.079 176.021 176.094 0.010 0.000 1.051 83 V CA 2.249 64.648 62.300 0.165 0.000 1.018 83 V CB -1.497 30.466 31.823 0.233 0.000 0.641 83 V HN 0.312 nan 8.190 nan 0.000 0.445 84 P HA -0.114 nan 4.420 nan 0.000 0.216 84 P C 1.936 179.118 177.300 -0.197 0.000 1.153 84 P CA 1.376 64.288 63.100 -0.312 0.000 0.848 84 P CB -0.062 31.136 31.700 -0.837 0.000 0.787 85 L N -1.923 119.308 121.223 0.013 0.000 2.046 85 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 85 L C 2.441 179.350 176.870 0.066 0.000 1.077 85 L CA 1.548 56.493 54.840 0.176 0.000 0.747 85 L CB -0.846 41.406 42.059 0.321 0.000 0.896 85 L HN 0.001 nan 8.230 nan 0.000 0.432 86 M N -0.190 119.457 119.600 0.078 0.000 2.460 86 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 86 M C 1.793 178.096 176.300 0.005 0.000 1.071 86 M CA 1.372 56.737 55.300 0.109 0.000 1.096 86 M CB -0.045 32.673 32.600 0.197 0.000 1.408 86 M HN 0.361 nan 8.290 nan 0.000 0.463 87 I N -4.294 116.204 120.570 -0.121 0.000 4.025 87 I HA 0.462 4.632 4.170 -0.000 0.000 0.336 87 I C 0.903 176.807 176.117 -0.354 0.000 1.390 87 I CA 0.028 61.221 61.300 -0.178 0.000 1.099 87 I CB -0.128 37.776 38.000 -0.160 0.000 1.049 87 I HN 0.298 nan 8.210 nan 0.000 0.394 88 G N 2.037 110.436 108.800 -0.668 0.000 2.198 88 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 88 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 88 G C 0.287 174.584 174.900 -1.005 0.000 1.025 88 G CA 0.176 44.414 45.100 -1.435 0.000 0.769 88 G HN 0.941 nan 8.290 nan 0.000 0.507 89 A N 0.282 122.737 122.820 -0.608 0.000 2.310 89 A HA 0.828 5.148 4.320 -0.000 0.000 0.299 89 A C -0.067 177.422 177.584 -0.158 0.000 1.147 89 A CA -0.869 50.981 52.037 -0.313 0.000 0.818 89 A CB 1.074 19.905 19.000 -0.282 0.000 1.096 89 A HN 0.119 nan 8.150 nan 0.000 0.495 90 P HA -0.044 nan 4.420 nan 0.000 0.221 90 P C 0.110 177.398 177.300 -0.020 0.000 1.150 90 P CA 1.219 64.350 63.100 0.052 0.000 0.800 90 P CB 0.378 32.103 31.700 0.041 0.000 0.787 91 D N -2.963 117.337 120.400 -0.166 0.000 3.024 91 D HA 0.120 4.760 4.640 -0.000 0.000 0.354 91 D C -0.651 175.464 176.300 -0.309 0.000 1.431 91 D CA -0.502 53.355 54.000 -0.239 0.000 0.842 91 D CB 0.377 41.129 40.800 -0.079 0.000 1.437 91 D HN -0.326 nan 8.370 nan 0.000 0.507 92 M N 1.008 120.441 119.600 -0.279 0.000 2.227 92 M HA 0.351 4.831 4.480 -0.000 0.000 0.316 92 M C 1.272 177.374 176.300 -0.329 0.000 1.144 92 M CA 0.015 55.119 55.300 -0.326 0.000 1.121 92 M CB 0.593 32.996 32.600 -0.327 0.000 1.440 92 M HN 0.607 nan 8.290 nan 0.000 0.473 93 A N 1.326 123.853 122.820 -0.489 0.000 1.933 93 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 93 A C 0.446 177.627 177.584 -0.673 0.000 1.175 93 A CA 1.556 53.166 52.037 -0.711 0.000 0.628 93 A CB -0.246 18.072 19.000 -1.137 0.000 0.814 93 A HN 0.581 nan 8.150 nan 0.000 0.444 94 F N -0.543 119.346 119.950 -0.101 0.000 2.550 94 F HA 0.333 4.860 4.527 -0.000 0.000 0.348 94 F C -1.837 173.918 175.800 -0.075 0.000 1.219 94 F CA -2.994 54.961 58.000 -0.074 0.000 1.203 94 F CB 0.951 39.913 39.000 -0.063 0.000 1.436 94 F HN 0.055 nan 8.300 nan 0.000 0.541 95 P HA -0.187 nan 4.420 nan 0.000 0.221 95 P C 1.659 178.980 177.300 0.036 0.000 1.145 95 P CA 1.278 64.380 63.100 0.004 0.000 0.795 95 P CB 0.491 32.178 31.700 -0.022 0.000 0.775 96 R N -0.517 120.020 120.500 0.062 0.000 2.080 96 R HA 0.113 4.453 4.340 -0.000 0.000 0.222 96 R C 2.539 178.881 176.300 0.070 0.000 1.107 96 R CA 0.660 56.794 56.100 0.056 0.000 0.980 96 R CB -0.651 29.669 30.300 0.033 0.000 0.879 96 R HN 0.016 nan 8.270 nan 0.000 0.439 97 M N 1.079 120.726 119.600 0.078 0.000 2.213 97 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 97 M C 1.654 178.010 176.300 0.093 0.000 1.062 97 M CA 1.788 57.130 55.300 0.070 0.000 1.105 97 M CB -0.203 32.432 32.600 0.057 0.000 1.385 97 M HN 0.133 nan 8.290 nan 0.000 0.417 98 N N 0.953 119.707 118.700 0.090 0.000 2.094 98 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 98 N C 1.328 176.914 175.510 0.127 0.000 1.023 98 N CA 1.906 55.003 53.050 0.077 0.000 0.857 98 N CB -0.438 38.054 38.487 0.008 0.000 1.013 98 N HN 0.417 nan 8.380 nan 0.000 0.426 99 N N -0.199 118.577 118.700 0.126 0.000 2.244 99 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 99 N C 1.692 177.356 175.510 0.256 0.000 1.016 99 N CA 0.800 53.965 53.050 0.191 0.000 0.866 99 N CB -0.192 38.433 38.487 0.230 0.000 0.980 99 N HN 0.369 nan 8.380 nan 0.000 0.430 100 M N -0.687 119.027 119.600 0.190 0.000 2.254 100 M HA -0.046 4.434 4.480 -0.000 0.000 0.265 100 M C 1.741 178.107 176.300 0.110 0.000 1.066 100 M CA 0.980 56.382 55.300 0.170 0.000 1.123 100 M CB 0.001 32.663 32.600 0.102 0.000 1.388 100 M HN 0.026 nan 8.290 nan 0.000 0.425 101 S N 0.298 116.067 115.700 0.115 0.000 2.383 101 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 101 S C 1.443 176.060 174.600 0.028 0.000 1.030 101 S CA 1.510 59.785 58.200 0.125 0.000 1.002 101 S CB -0.492 62.841 63.200 0.222 0.000 0.829 101 S HN 0.623 nan 8.310 nan 0.000 0.467 102 F N 0.586 120.423 119.950 -0.189 0.000 2.098 102 F HA 0.008 4.535 4.527 -0.000 0.000 0.294 102 F C 1.640 177.064 175.800 -0.626 0.000 1.107 102 F CA 0.998 58.570 58.000 -0.712 0.000 1.234 102 F CB -0.664 37.708 39.000 -1.048 0.000 1.002 102 F HN 0.214 nan 8.300 nan 0.000 0.472 103 W N 0.658 121.729 121.300 -0.382 0.000 2.538 103 W HA -0.077 4.583 4.660 -0.000 0.000 0.254 103 W C 1.929 178.246 176.519 -0.336 0.000 1.249 103 W CA 0.403 57.531 57.345 -0.361 0.000 1.253 103 W CB -0.373 29.064 29.460 -0.038 0.000 1.130 103 W HN 0.077 nan 8.180 nan 0.000 0.618 104 L N -0.432 120.706 121.223 -0.141 0.000 2.313 104 L HA -0.116 4.224 4.340 -0.000 0.000 0.214 104 L C 2.121 178.893 176.870 -0.163 0.000 1.119 104 L CA 0.528 55.319 54.840 -0.082 0.000 0.809 104 L CB -0.438 41.606 42.059 -0.026 0.000 0.933 104 L HN 0.072 nan 8.230 nan 0.000 0.449 105 L N -0.149 120.812 121.223 -0.436 0.000 2.027 105 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 105 L C -0.162 176.513 176.870 -0.325 0.000 1.074 105 L CA 1.320 55.855 54.840 -0.508 0.000 0.745 105 L CB -1.724 39.662 42.059 -1.122 0.000 0.898 105 L HN 0.190 nan 8.230 nan 0.000 0.433 106 P HA -0.103 nan 4.420 nan 0.000 0.215 106 P C -1.367 175.983 177.300 0.083 0.000 1.153 106 P CA 1.523 64.671 63.100 0.079 0.000 0.853 106 P CB -0.890 30.870 31.700 0.100 0.000 0.788 107 P HA -0.143 nan 4.420 nan 0.000 0.216 107 P C 1.919 179.271 177.300 0.087 0.000 1.153 107 P CA 1.712 64.847 63.100 0.057 0.000 0.848 107 P CB -0.481 31.241 31.700 0.037 0.000 0.787 108 S N -1.769 113.982 115.700 0.085 0.000 2.370 108 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 108 S C 1.821 176.544 174.600 0.205 0.000 1.033 108 S CA 1.106 59.404 58.200 0.163 0.000 1.011 108 S CB -1.123 62.218 63.200 0.236 0.000 0.852 108 S HN 0.046 nan 8.310 nan 0.000 0.457 109 F N 0.768 120.607 119.950 -0.185 0.000 2.146 109 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 109 F C 2.057 177.838 175.800 -0.030 0.000 1.096 109 F CA 0.931 58.715 58.000 -0.359 0.000 1.275 109 F CB -0.142 38.574 39.000 -0.474 0.000 1.008 109 F HN 0.297 nan 8.300 nan 0.000 0.480 110 L N 0.785 122.147 121.223 0.231 0.000 2.042 110 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 110 L C 1.918 178.886 176.870 0.164 0.000 1.076 110 L CA 1.742 56.665 54.840 0.138 0.000 0.749 110 L CB -0.842 41.262 42.059 0.075 0.000 0.893 110 L HN 0.168 nan 8.230 nan 0.000 0.432 111 L N -1.255 120.071 121.223 0.171 0.000 2.083 111 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 111 L C 2.501 179.482 176.870 0.185 0.000 1.083 111 L CA 1.347 56.285 54.840 0.163 0.000 0.752 111 L CB -0.530 41.626 42.059 0.161 0.000 0.899 111 L HN 0.394 nan 8.230 nan 0.000 0.433 112 L N -0.415 120.960 121.223 0.252 0.000 2.056 112 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 112 L C 2.379 179.418 176.870 0.282 0.000 1.078 112 L CA 1.396 56.400 54.840 0.275 0.000 0.749 112 L CB -0.085 42.222 42.059 0.413 0.000 0.901 112 L HN 0.127 nan 8.230 nan 0.000 0.433 113 L N -0.253 121.156 121.223 0.309 0.000 2.141 113 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 113 L C 2.816 179.781 176.870 0.158 0.000 1.094 113 L CA 0.917 55.893 54.840 0.227 0.000 0.763 113 L CB -0.923 41.239 42.059 0.172 0.000 0.908 113 L HN 0.375 nan 8.230 nan 0.000 0.437 114 A N 0.444 123.351 122.820 0.145 0.000 1.877 114 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 114 A C 2.562 180.216 177.584 0.117 0.000 1.186 114 A CA 2.067 54.174 52.037 0.116 0.000 0.620 114 A CB -0.831 18.235 19.000 0.110 0.000 0.822 114 A HN 0.505 nan 8.150 nan 0.000 0.443 115 S N 0.503 116.281 115.700 0.130 0.000 2.400 115 S HA -0.180 4.290 4.470 -0.000 0.000 0.232 115 S C 1.967 176.642 174.600 0.124 0.000 1.025 115 S CA 1.957 60.229 58.200 0.121 0.000 0.993 115 S CB -0.823 62.445 63.200 0.114 0.000 0.808 115 S HN 0.990 nan 8.310 nan 0.000 0.478 116 S N 0.401 116.182 115.700 0.136 0.000 2.501 116 S HA 0.228 4.698 4.470 -0.000 0.000 0.220 116 S C 1.821 176.484 174.600 0.105 0.000 0.997 116 S CA 0.216 58.493 58.200 0.128 0.000 0.919 116 S CB -0.320 62.967 63.200 0.145 0.000 0.778 116 S HN 0.379 nan 8.310 nan 0.000 0.523 117 M N 2.083 121.742 119.600 0.099 0.000 2.325 117 M HA 0.232 4.712 4.480 -0.000 0.000 0.265 117 M C 1.170 177.513 176.300 0.072 0.000 1.094 117 M CA 0.592 55.940 55.300 0.080 0.000 1.161 117 M CB -0.831 31.814 32.600 0.076 0.000 1.358 117 M HN 0.406 nan 8.290 nan 0.000 0.446 118 V N -0.465 119.496 119.914 0.078 0.000 2.834 118 V HA 0.296 4.416 4.120 -0.000 0.000 0.301 118 V C 0.831 176.969 176.094 0.072 0.000 1.066 118 V CA -0.929 61.413 62.300 0.070 0.000 1.052 118 V CB 0.911 32.778 31.823 0.072 0.000 1.021 118 V HN 0.572 nan 8.190 nan 0.000 0.480 119 E N 2.449 122.685 120.200 0.060 0.000 3.333 119 E HA -0.341 4.009 4.350 -0.000 0.000 0.342 119 E C 0.897 177.531 176.600 0.057 0.000 1.501 119 E CA 2.096 58.529 56.400 0.055 0.000 1.770 119 E CB -1.661 28.076 29.700 0.062 0.000 1.817 119 E HN 1.562 nan 8.360 nan 0.000 0.485 120 A N 1.452 124.309 122.820 0.062 0.000 2.535 120 A HA 0.522 4.842 4.320 -0.000 0.000 0.273 120 A C 0.866 178.512 177.584 0.102 0.000 1.267 120 A CA 1.470 53.545 52.037 0.064 0.000 0.940 120 A CB 0.008 19.027 19.000 0.032 0.000 1.101 120 A HN 1.406 nan 8.150 nan 0.000 0.521 121 G N -0.989 107.882 108.800 0.119 0.000 2.855 121 G HA2 0.302 4.262 3.960 -0.000 0.000 0.352 121 G HA3 0.302 4.262 3.960 -0.000 0.000 0.352 121 G C 0.093 175.113 174.900 0.200 0.000 1.415 121 G CA -0.311 44.875 45.100 0.143 0.000 0.871 121 G HN 1.758 nan 8.290 nan 0.000 0.543 122 A N 0.297 123.214 122.820 0.161 0.000 2.444 122 A HA 0.734 5.054 4.320 -0.000 0.000 0.332 122 A C 0.855 178.484 177.584 0.074 0.000 1.430 122 A CA 0.794 52.884 52.037 0.089 0.000 0.975 122 A CB 0.365 19.386 19.000 0.034 0.000 1.147 122 A HN 2.303 nan 8.150 nan 0.000 0.524 123 G N 1.618 110.526 108.800 0.180 0.000 3.964 123 G HA2 0.374 4.334 3.960 -0.000 0.000 0.289 123 G HA3 0.374 4.334 3.960 -0.000 0.000 0.289 123 G C 0.682 175.600 174.900 0.031 0.000 1.176 123 G CA 0.482 45.667 45.100 0.141 0.000 1.553 123 G HN 0.765 nan 8.290 nan 0.000 0.588 124 T N -2.492 111.991 114.554 -0.117 0.000 2.985 124 T HA 0.500 4.850 4.350 -0.000 0.000 0.254 124 T C 1.155 175.756 174.700 -0.165 0.000 1.021 124 T CA 0.434 62.423 62.100 -0.183 0.000 0.957 124 T CB 0.684 69.379 68.868 -0.288 0.000 1.047 124 T HN 1.585 nan 8.240 nan 0.000 0.511 125 G N 1.678 110.401 108.800 -0.128 0.000 2.692 125 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 125 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 125 G C 0.234 174.976 174.900 -0.264 0.000 1.243 125 G CA -0.278 44.726 45.100 -0.160 0.000 0.782 125 G HN 0.578 nan 8.290 nan 0.000 0.625 126 W N 0.762 121.754 121.300 -0.513 0.000 2.611 126 W HA -0.048 4.612 4.660 -0.000 0.000 0.251 126 W C 1.494 177.747 176.519 -0.443 0.000 1.265 126 W CA 1.988 58.833 57.345 -0.833 0.000 1.295 126 W CB -1.472 27.425 29.460 -0.939 0.000 1.129 126 W HN 1.088 nan 8.180 nan 0.000 0.630 127 T N -1.175 112.672 114.554 -1.177 0.000 3.055 127 T HA 0.045 4.395 4.350 -0.000 0.000 0.265 127 T C 1.193 175.322 174.700 -0.952 0.000 1.111 127 T CA 0.793 61.873 62.100 -1.700 0.000 1.118 127 T CB -0.801 67.049 68.868 -1.697 0.000 0.909 127 T HN 0.146 nan 8.240 nan 0.000 0.501 128 V N 0.667 120.271 119.914 -0.516 0.000 5.175 128 V HA -0.238 3.882 4.120 -0.000 0.000 0.279 128 V C 0.242 176.092 176.094 -0.407 0.000 0.571 128 V CA 0.398 62.511 62.300 -0.312 0.000 0.694 128 V CB -2.948 28.793 31.823 -0.137 0.000 0.525 128 V HN 0.710 nan 8.190 nan 0.000 1.093 129 Y N 1.834 121.829 120.300 -0.509 0.000 2.620 129 Y HA 0.241 4.791 4.550 -0.000 0.000 0.330 129 Y C -0.859 174.754 175.900 -0.478 0.000 1.186 129 Y CA -1.694 56.070 58.100 -0.560 0.000 1.467 129 Y CB 0.960 39.264 38.460 -0.260 0.000 1.262 129 Y HN 0.280 nan 8.280 nan 0.000 0.550 130 P HA 0.201 nan 4.420 nan 0.000 0.281 130 P C -2.439 174.810 177.300 -0.085 0.000 1.264 130 P CA -2.039 60.931 63.100 -0.217 0.000 0.824 130 P CB 1.314 32.882 31.700 -0.219 0.000 1.092 131 P HA 0.006 nan 4.420 nan 0.000 0.229 131 P C 1.585 178.908 177.300 0.039 0.000 1.160 131 P CA 0.207 63.322 63.100 0.025 0.000 0.777 131 P CB -0.107 31.621 31.700 0.047 0.000 0.814 132 L N 0.406 121.657 121.223 0.048 0.000 2.081 132 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 132 L C 1.939 178.884 176.870 0.125 0.000 1.080 132 L CA 2.065 56.972 54.840 0.110 0.000 0.754 132 L CB -1.295 40.826 42.059 0.104 0.000 0.893 132 L HN -0.063 nan 8.230 nan 0.000 0.433 133 A N -0.995 121.797 122.820 -0.047 0.000 2.251 133 A HA 0.410 4.730 4.320 -0.000 0.000 0.209 133 A C 1.356 178.920 177.584 -0.034 0.000 1.187 133 A CA 0.350 52.306 52.037 -0.135 0.000 0.823 133 A CB -1.228 17.624 19.000 -0.247 0.000 0.846 133 A HN 0.468 nan 8.150 nan 0.000 0.486 134 G N 0.033 108.847 108.800 0.022 0.000 2.651 134 G HA2 0.266 4.226 3.960 -0.000 0.000 0.260 134 G HA3 0.266 4.226 3.960 -0.000 0.000 0.260 134 G C 0.606 175.549 174.900 0.071 0.000 1.216 134 G CA 0.126 45.254 45.100 0.047 0.000 0.913 134 G HN 0.457 nan 8.290 nan 0.000 0.535 135 N N -0.614 118.120 118.700 0.058 0.000 2.609 135 N HA -0.069 4.671 4.740 -0.000 0.000 0.190 135 N C 1.507 177.046 175.510 0.048 0.000 1.157 135 N CA 0.723 53.806 53.050 0.054 0.000 0.918 135 N CB 0.016 38.529 38.487 0.043 0.000 0.978 135 N HN 0.328 nan 8.380 nan 0.000 0.448 136 L N -0.600 120.651 121.223 0.048 0.000 2.269 136 L HA 0.471 4.811 4.340 -0.000 0.000 0.200 136 L C 2.043 178.929 176.870 0.028 0.000 1.069 136 L CA 1.062 55.922 54.840 0.034 0.000 0.804 136 L CB -0.822 41.256 42.059 0.032 0.000 0.987 136 L HN 0.107 nan 8.230 nan 0.000 0.468 137 A N -1.965 120.883 122.820 0.048 0.000 2.123 137 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 137 A C 0.340 177.913 177.584 -0.017 0.000 1.152 137 A CA 0.782 52.840 52.037 0.034 0.000 0.728 137 A CB -0.672 18.379 19.000 0.085 0.000 0.814 137 A HN 0.650 nan 8.150 nan 0.000 0.464 138 H N -1.050 118.028 119.070 0.013 0.000 2.712 138 H HA 0.522 5.078 4.556 -0.000 0.000 0.226 138 H C 0.085 175.422 175.328 0.014 0.000 1.422 138 H CA -0.088 55.968 56.048 0.014 0.000 1.270 138 H CB 0.402 30.168 29.762 0.007 0.000 1.891 138 H HN 0.409 nan 8.280 nan 0.000 0.518 139 A N 0.960 123.809 122.820 0.048 0.000 2.445 139 A HA 0.592 4.912 4.320 -0.000 0.000 0.242 139 A C 1.018 178.633 177.584 0.052 0.000 1.075 139 A CA 0.794 52.858 52.037 0.045 0.000 0.777 139 A CB -0.145 18.868 19.000 0.022 0.000 1.013 139 A HN 0.866 nan 8.150 nan 0.000 0.493 140 G N -0.883 107.950 108.800 0.054 0.000 2.541 140 G HA2 0.375 4.335 3.960 -0.000 0.000 0.686 140 G HA3 0.375 4.335 3.960 -0.000 0.000 0.686 140 G C 0.636 175.577 174.900 0.068 0.000 1.286 140 G CA 0.112 45.247 45.100 0.058 0.000 0.894 140 G HN 1.955 nan 8.290 nan 0.000 0.575 141 A N -0.228 122.635 122.820 0.072 0.000 2.067 141 A HA 0.280 4.600 4.320 -0.000 0.000 0.219 141 A C 2.692 180.324 177.584 0.079 0.000 1.158 141 A CA 2.570 54.655 52.037 0.080 0.000 0.661 141 A CB -0.633 18.422 19.000 0.091 0.000 0.801 141 A HN 1.583 nan 8.150 nan 0.000 0.452 142 S N -0.259 115.494 115.700 0.088 0.000 2.369 142 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 142 S C 1.851 176.484 174.600 0.055 0.000 1.043 142 S CA 1.796 60.052 58.200 0.093 0.000 1.074 142 S CB -0.581 62.697 63.200 0.131 0.000 0.962 142 S HN 0.376 nan 8.310 nan 0.000 0.433 143 V N 2.334 122.268 119.914 0.033 0.000 2.626 143 V HA -0.142 3.978 4.120 -0.000 0.000 0.252 143 V C 1.919 177.952 176.094 -0.101 0.000 1.067 143 V CA 1.591 63.865 62.300 -0.043 0.000 1.081 143 V CB -0.654 31.128 31.823 -0.069 0.000 0.686 143 V HN 0.418 nan 8.190 nan 0.000 0.468 144 D N -0.028 120.320 120.400 -0.088 0.000 2.178 144 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 144 D C 2.120 178.293 176.300 -0.212 0.000 0.974 144 D CA 1.016 54.881 54.000 -0.224 0.000 0.841 144 D CB -0.002 40.726 40.800 -0.119 0.000 0.953 144 D HN 0.354 nan 8.370 nan 0.000 0.478 145 L N 0.617 121.852 121.223 0.020 0.000 2.141 145 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 145 L C 2.486 179.385 176.870 0.048 0.000 1.094 145 L CA 0.927 55.851 54.840 0.140 0.000 0.763 145 L CB -0.390 41.754 42.059 0.141 0.000 0.908 145 L HN -0.016 nan 8.230 nan 0.000 0.437 146 T N 0.038 114.563 114.554 -0.047 0.000 2.777 146 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 146 T C 1.922 176.463 174.700 -0.264 0.000 1.040 146 T CA 1.218 63.233 62.100 -0.141 0.000 1.141 146 T CB -0.121 68.688 68.868 -0.098 0.000 0.868 146 T HN 0.171 nan 8.240 nan 0.000 0.444 147 I N 0.302 120.693 120.570 -0.298 0.000 2.179 147 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 147 I C 2.010 177.890 176.117 -0.396 0.000 1.088 147 I CA 1.379 62.420 61.300 -0.432 0.000 1.357 147 I CB -0.346 37.345 38.000 -0.515 0.000 1.051 147 I HN 0.163 nan 8.210 nan 0.000 0.409 148 F N 0.367 120.250 119.950 -0.112 0.000 2.171 148 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 148 F C 2.941 178.724 175.800 -0.028 0.000 1.090 148 F CA 1.434 59.444 58.000 0.016 0.000 1.293 148 F CB -1.247 37.788 39.000 0.059 0.000 1.013 148 F HN 0.027 nan 8.300 nan 0.000 0.486 149 S N 0.167 115.916 115.700 0.082 0.000 2.370 149 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 149 S C 2.210 176.735 174.600 -0.125 0.000 1.033 149 S CA 1.116 59.327 58.200 0.018 0.000 1.011 149 S CB -0.419 62.764 63.200 -0.027 0.000 0.852 149 S HN 0.345 nan 8.310 nan 0.000 0.457 150 L N 0.136 121.158 121.223 -0.334 0.000 2.083 150 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 150 L C 2.435 179.157 176.870 -0.247 0.000 1.083 150 L CA 1.698 56.245 54.840 -0.489 0.000 0.752 150 L CB -0.684 41.015 42.059 -0.600 0.000 0.899 150 L HN 0.491 nan 8.230 nan 0.000 0.433 151 H N -0.491 118.513 119.070 -0.110 0.000 2.321 151 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 151 H C 2.348 177.663 175.328 -0.022 0.000 1.087 151 H CA 1.197 57.223 56.048 -0.037 0.000 1.319 151 H CB 0.151 29.959 29.762 0.075 0.000 1.379 151 H HN 0.210 nan 8.280 nan 0.000 0.501 152 L N -0.116 121.192 121.223 0.142 0.000 2.056 152 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 152 L C 2.837 179.746 176.870 0.066 0.000 1.078 152 L CA 0.901 55.793 54.840 0.086 0.000 0.749 152 L CB -0.640 41.468 42.059 0.081 0.000 0.901 152 L HN 0.341 nan 8.230 nan 0.000 0.433 153 A N 0.476 123.324 122.820 0.046 0.000 1.972 153 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 153 A C 2.384 180.010 177.584 0.070 0.000 1.169 153 A CA 1.614 53.694 52.037 0.072 0.000 0.635 153 A CB -1.000 17.992 19.000 -0.014 0.000 0.810 153 A HN 0.447 nan 8.150 nan 0.000 0.446 154 G N -0.683 108.127 108.800 0.015 0.000 2.402 154 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.216 154 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.216 154 G C 1.472 176.410 174.900 0.063 0.000 1.162 154 G CA 1.131 46.251 45.100 0.033 0.000 0.777 154 G HN 0.297 nan 8.290 nan 0.000 0.539 155 V N 0.980 120.929 119.914 0.058 0.000 2.358 155 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 155 V C 3.054 179.188 176.094 0.067 0.000 1.047 155 V CA 2.148 64.478 62.300 0.050 0.000 1.035 155 V CB -0.297 31.544 31.823 0.030 0.000 0.658 155 V HN 0.509 nan 8.190 nan 0.000 0.452 156 S N -0.107 115.639 115.700 0.076 0.000 2.359 156 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 156 S C 2.188 176.869 174.600 0.135 0.000 1.035 156 S CA 2.392 60.650 58.200 0.097 0.000 1.018 156 S CB -0.343 62.910 63.200 0.087 0.000 0.876 156 S HN 0.582 nan 8.310 nan 0.000 0.448 157 S N 0.780 116.566 115.700 0.144 0.000 2.406 157 S HA 0.156 4.626 4.470 -0.000 0.000 0.228 157 S C 1.739 176.425 174.600 0.144 0.000 1.020 157 S CA 1.089 59.384 58.200 0.158 0.000 0.965 157 S CB -0.360 62.943 63.200 0.171 0.000 0.798 157 S HN 0.535 nan 8.310 nan 0.000 0.488 158 I N 1.279 121.920 120.570 0.118 0.000 2.252 158 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 158 I C 1.901 178.081 176.117 0.104 0.000 1.102 158 I CA 0.983 62.346 61.300 0.106 0.000 1.385 158 I CB -0.240 37.807 38.000 0.079 0.000 1.064 158 I HN 0.236 nan 8.210 nan 0.000 0.414 159 L N 0.131 121.411 121.223 0.095 0.000 2.093 159 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 159 L C 2.652 179.595 176.870 0.122 0.000 1.085 159 L CA 1.425 56.319 54.840 0.089 0.000 0.755 159 L CB -1.153 40.948 42.059 0.069 0.000 0.904 159 L HN 0.313 nan 8.230 nan 0.000 0.435 160 G N -0.249 108.640 108.800 0.148 0.000 2.422 160 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 160 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 160 G C 1.786 176.839 174.900 0.255 0.000 1.146 160 G CA 0.799 46.008 45.100 0.183 0.000 0.769 160 G HN 0.453 nan 8.290 nan 0.000 0.547 161 A N 0.783 123.739 122.820 0.227 0.000 1.902 161 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 161 A C 2.385 180.081 177.584 0.187 0.000 1.181 161 A CA 1.213 53.381 52.037 0.218 0.000 0.623 161 A CB -0.344 18.750 19.000 0.157 0.000 0.818 161 A HN 0.370 nan 8.150 nan 0.000 0.443 162 I N -0.132 120.533 120.570 0.158 0.000 2.286 162 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 162 I C 2.469 178.704 176.117 0.196 0.000 1.115 162 I CA 1.279 62.677 61.300 0.164 0.000 1.392 162 I CB -0.392 37.695 38.000 0.145 0.000 1.065 162 I HN 0.357 nan 8.210 nan 0.000 0.418 163 N N 1.045 119.843 118.700 0.163 0.000 2.106 163 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 163 N C 1.911 177.326 175.510 -0.157 0.000 1.029 163 N CA 1.696 54.753 53.050 0.012 0.000 0.848 163 N CB -0.262 38.180 38.487 -0.076 0.000 1.007 163 N HN 0.213 nan 8.380 nan 0.000 0.423 164 F N 1.150 121.082 119.950 -0.031 0.000 2.102 164 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 164 F C 2.366 178.108 175.800 -0.097 0.000 1.105 164 F CA 0.724 58.675 58.000 -0.081 0.000 1.239 164 F CB -0.189 38.768 39.000 -0.071 0.000 0.991 164 F HN 0.014 nan 8.300 nan 0.000 0.474 165 I N -0.597 120.053 120.570 0.134 0.000 2.179 165 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 165 I C 2.277 178.381 176.117 -0.022 0.000 1.088 165 I CA 1.651 62.979 61.300 0.046 0.000 1.357 165 I CB -0.883 37.154 38.000 0.062 0.000 1.051 165 I HN 0.128 nan 8.210 nan 0.000 0.409 166 T N 0.007 114.540 114.554 -0.035 0.000 2.708 166 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 166 T C 1.918 176.497 174.700 -0.202 0.000 1.037 166 T CA 2.060 64.093 62.100 -0.110 0.000 1.146 166 T CB -0.433 68.342 68.868 -0.156 0.000 0.865 166 T HN 0.368 nan 8.240 nan 0.000 0.435 167 T N 2.224 116.630 114.554 -0.247 0.000 2.684 167 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 167 T C 1.983 176.573 174.700 -0.183 0.000 1.036 167 T CA 1.100 63.047 62.100 -0.254 0.000 1.148 167 T CB -0.452 68.252 68.868 -0.274 0.000 0.863 167 T HN 0.330 nan 8.240 nan 0.000 0.436 168 I N 0.511 121.000 120.570 -0.135 0.000 2.315 168 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 168 I C 2.099 178.102 176.117 -0.190 0.000 1.117 168 I CA 0.826 62.030 61.300 -0.159 0.000 1.404 168 I CB -0.270 37.637 38.000 -0.155 0.000 1.071 168 I HN 0.204 nan 8.210 nan 0.000 0.419 169 I N 0.471 120.945 120.570 -0.160 0.000 2.333 169 I HA -0.185 3.985 4.170 -0.000 0.000 0.246 169 I C 2.016 178.053 176.117 -0.134 0.000 1.106 169 I CA 1.550 62.761 61.300 -0.149 0.000 1.411 169 I CB -1.185 36.754 38.000 -0.103 0.000 1.082 169 I HN 0.278 nan 8.210 nan 0.000 0.420 170 N N 0.142 118.761 118.700 -0.135 0.000 2.356 170 N HA 0.093 4.833 4.740 -0.000 0.000 0.178 170 N C 1.118 176.546 175.510 -0.137 0.000 1.075 170 N CA 0.395 53.370 53.050 -0.125 0.000 0.889 170 N CB 0.263 38.675 38.487 -0.124 0.000 0.999 170 N HN 0.149 nan 8.380 nan 0.000 0.464 171 M N 0.069 119.573 119.600 -0.160 0.000 2.673 171 M HA 0.223 4.703 4.480 -0.000 0.000 0.334 171 M C -0.515 175.687 176.300 -0.163 0.000 1.211 171 M CA -0.174 55.028 55.300 -0.163 0.000 0.962 171 M CB 0.702 33.186 32.600 -0.193 0.000 1.343 171 M HN -0.156 nan 8.290 nan 0.000 0.511 172 K N 1.080 121.389 120.400 -0.151 0.000 2.090 172 K HA 0.473 4.793 4.320 -0.000 0.000 0.250 172 K C -2.442 174.084 176.600 -0.124 0.000 1.004 172 K CA -1.734 54.465 56.287 -0.147 0.000 0.919 172 K CB 0.151 32.566 32.500 -0.141 0.000 1.045 172 K HN -0.144 nan 8.250 nan 0.000 0.471 173 P HA -0.010 nan 4.420 nan 0.000 0.266 173 P C -2.114 175.134 177.300 -0.088 0.000 1.195 173 P CA -0.839 62.204 63.100 -0.096 0.000 0.768 173 P CB 0.116 31.766 31.700 -0.083 0.000 0.838 174 P HA -0.209 nan 4.420 nan 0.000 0.217 174 P C 0.973 178.230 177.300 -0.072 0.000 1.148 174 P CA 1.761 64.815 63.100 -0.076 0.000 0.828 174 P CB -0.156 31.499 31.700 -0.076 0.000 0.783 175 A N -1.688 121.083 122.820 -0.080 0.000 2.132 175 A HA 0.066 4.386 4.320 -0.000 0.000 0.213 175 A C 1.271 178.829 177.584 -0.044 0.000 1.154 175 A CA 0.062 52.060 52.037 -0.065 0.000 0.753 175 A CB -0.855 18.094 19.000 -0.085 0.000 0.826 175 A HN 0.163 nan 8.150 nan 0.000 0.469 176 M N 2.268 121.837 119.600 -0.051 0.000 2.143 176 M HA 0.263 4.742 4.480 -0.000 0.000 0.348 176 M C 0.413 176.682 176.300 -0.051 0.000 1.375 176 M CA -0.202 55.074 55.300 -0.040 0.000 1.124 176 M CB 0.532 33.102 32.600 -0.049 0.000 1.669 176 M HN 0.424 nan 8.290 nan 0.000 0.469 177 S N 3.469 119.154 115.700 -0.025 0.000 2.686 177 S HA 0.161 4.631 4.470 -0.000 0.000 0.270 177 S C 0.635 175.164 174.600 -0.119 0.000 1.194 177 S CA -0.481 57.684 58.200 -0.057 0.000 0.990 177 S CB 1.281 64.489 63.200 0.012 0.000 1.029 177 S HN 0.817 nan 8.310 nan 0.000 0.560 178 Q N -0.525 119.109 119.800 -0.277 0.000 2.291 178 Q HA 0.035 4.375 4.340 -0.000 0.000 0.206 178 Q C 0.540 176.488 176.000 -0.086 0.000 0.976 178 Q CA 1.554 57.127 55.803 -0.383 0.000 0.875 178 Q CB -0.567 27.839 28.738 -0.553 0.000 0.927 178 Q HN 0.833 nan 8.270 nan 0.000 0.450 179 Y N -0.853 119.658 120.300 0.352 0.000 2.477 179 Y HA 0.165 4.715 4.550 -0.000 0.000 0.303 179 Y C 0.823 176.888 175.900 0.275 0.000 1.202 179 Y CA 0.239 58.630 58.100 0.487 0.000 1.282 179 Y CB 0.170 38.836 38.460 0.344 0.000 1.071 179 Y HN 0.107 nan 8.280 nan 0.000 0.510 180 Q N -0.552 119.396 119.800 0.246 0.000 2.118 180 Q HA 0.116 4.456 4.340 -0.000 0.000 0.219 180 Q C 0.363 176.437 176.000 0.124 0.000 0.794 180 Q CA -0.124 55.735 55.803 0.094 0.000 1.035 180 Q CB 0.864 29.628 28.738 0.045 0.000 1.177 180 Q HN 0.275 nan 8.270 nan 0.000 0.478 181 T N -1.988 112.701 114.554 0.226 0.000 2.909 181 T HA 0.582 4.932 4.350 -0.000 0.000 0.286 181 T C -2.533 172.419 174.700 0.421 0.000 1.002 181 T CA -2.233 59.969 62.100 0.170 0.000 1.074 181 T CB 1.423 70.235 68.868 -0.094 0.000 0.984 181 T HN -0.224 nan 8.240 nan 0.000 0.495 182 P HA 0.147 nan 4.420 nan 0.000 0.268 182 P C 1.037 178.745 177.300 0.680 0.000 1.208 182 P CA -0.401 63.025 63.100 0.544 0.000 0.777 182 P CB 0.415 32.465 31.700 0.583 0.000 0.875 183 L N 0.651 122.307 121.223 0.722 0.000 2.191 183 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 183 L C 2.116 179.334 176.870 0.580 0.000 1.103 183 L CA 1.293 56.498 54.840 0.608 0.000 0.769 183 L CB -0.612 41.713 42.059 0.442 0.000 0.908 183 L HN 0.383 nan 8.230 nan 0.000 0.438 184 F N 0.261 120.509 119.950 0.498 0.000 2.186 184 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 184 F C 2.200 178.064 175.800 0.108 0.000 1.090 184 F CA 1.252 59.325 58.000 0.121 0.000 1.307 184 F CB -0.265 38.553 39.000 -0.304 0.000 1.019 184 F HN -0.252 nan 8.300 nan 0.000 0.489 185 V N -1.025 118.915 119.914 0.043 0.000 2.343 185 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 185 V C 2.115 178.141 176.094 -0.115 0.000 1.051 185 V CA 2.007 64.233 62.300 -0.123 0.000 1.036 185 V CB -1.064 30.744 31.823 -0.025 0.000 0.654 185 V HN 0.490 nan 8.190 nan 0.000 0.451 186 W N 0.811 122.096 121.300 -0.025 0.000 2.358 186 W HA -0.228 4.432 4.660 -0.000 0.000 0.303 186 W C 3.030 179.502 176.519 -0.078 0.000 1.208 186 W CA 1.889 59.221 57.345 -0.022 0.000 1.274 186 W CB -0.389 29.087 29.460 0.027 0.000 1.138 186 W HN 0.366 nan 8.180 nan 0.000 0.515 187 S N -0.428 115.366 115.700 0.157 0.000 2.382 187 S HA -0.187 4.283 4.470 -0.000 0.000 0.228 187 S C 1.681 176.185 174.600 -0.159 0.000 1.027 187 S CA 1.633 59.851 58.200 0.029 0.000 0.991 187 S CB -0.983 62.249 63.200 0.052 0.000 0.823 187 S HN 0.060 nan 8.310 nan 0.000 0.469 188 V N 1.878 121.553 119.914 -0.398 0.000 2.453 188 V HA -0.056 4.064 4.120 -0.000 0.000 0.247 188 V C 2.589 178.505 176.094 -0.296 0.000 1.048 188 V CA 1.966 63.958 62.300 -0.514 0.000 1.049 188 V CB -0.752 30.570 31.823 -0.836 0.000 0.672 188 V HN 0.644 nan 8.190 nan 0.000 0.457 189 M N -0.162 119.339 119.600 -0.165 0.000 2.132 189 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 189 M C 2.038 178.350 176.300 0.021 0.000 1.065 189 M CA 2.072 57.334 55.300 -0.064 0.000 1.122 189 M CB -0.261 32.289 32.600 -0.084 0.000 1.365 189 M HN 0.225 nan 8.290 nan 0.000 0.411 190 I N -0.259 120.360 120.570 0.082 0.000 2.226 190 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 190 I C 2.134 178.296 176.117 0.075 0.000 1.100 190 I CA 1.566 62.939 61.300 0.122 0.000 1.374 190 I CB -0.850 37.247 38.000 0.161 0.000 1.057 190 I HN 0.359 nan 8.210 nan 0.000 0.413 191 T N 0.846 115.405 114.554 0.008 0.000 2.720 191 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 191 T C 2.068 176.772 174.700 0.006 0.000 1.037 191 T CA 1.558 63.646 62.100 -0.020 0.000 1.144 191 T CB -0.319 68.487 68.868 -0.103 0.000 0.864 191 T HN 0.495 nan 8.240 nan 0.000 0.444 192 A N 0.837 123.652 122.820 -0.009 0.000 1.933 192 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 192 A C 2.581 180.224 177.584 0.098 0.000 1.175 192 A CA 1.329 53.397 52.037 0.051 0.000 0.628 192 A CB -0.964 18.079 19.000 0.073 0.000 0.814 192 A HN 0.365 nan 8.150 nan 0.000 0.444 193 V N 0.380 120.356 119.914 0.103 0.000 2.343 193 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 193 V C 2.551 178.760 176.094 0.192 0.000 1.051 193 V CA 1.859 64.238 62.300 0.131 0.000 1.036 193 V CB -0.738 31.163 31.823 0.130 0.000 0.654 193 V HN 0.570 nan 8.190 nan 0.000 0.451 194 L N -0.848 120.505 121.223 0.216 0.000 2.046 194 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 194 L C 2.441 179.456 176.870 0.241 0.000 1.077 194 L CA 1.538 56.557 54.840 0.298 0.000 0.747 194 L CB -0.652 41.481 42.059 0.123 0.000 0.896 194 L HN 0.318 nan 8.230 nan 0.000 0.432 195 L N -0.554 120.765 121.223 0.160 0.000 2.046 195 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 195 L C 2.593 179.573 176.870 0.184 0.000 1.077 195 L CA 0.842 55.781 54.840 0.166 0.000 0.747 195 L CB -0.409 41.729 42.059 0.131 0.000 0.896 195 L HN 0.213 nan 8.230 nan 0.000 0.432 196 L N -0.393 120.928 121.223 0.164 0.000 2.042 196 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 196 L C 2.211 179.171 176.870 0.149 0.000 1.076 196 L CA 1.828 56.751 54.840 0.138 0.000 0.749 196 L CB -0.230 41.898 42.059 0.114 0.000 0.893 196 L HN 0.130 nan 8.230 nan 0.000 0.432 197 L N -1.620 119.720 121.223 0.195 0.000 2.209 197 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 197 L C 2.516 179.587 176.870 0.334 0.000 1.094 197 L CA 0.977 55.938 54.840 0.201 0.000 0.790 197 L CB -0.614 41.485 42.059 0.066 0.000 0.932 197 L HN 0.414 nan 8.230 nan 0.000 0.447 198 S N -0.203 115.739 115.700 0.404 0.000 2.404 198 S HA -0.020 4.450 4.470 -0.000 0.000 0.223 198 S C 1.964 176.777 174.600 0.355 0.000 1.040 198 S CA 0.221 58.660 58.200 0.398 0.000 0.957 198 S CB -0.576 62.766 63.200 0.238 0.000 0.826 198 S HN 0.263 nan 8.310 nan 0.000 0.491 199 L N 1.807 123.201 121.223 0.284 0.000 2.079 199 L HA 0.000 4.340 4.340 -0.000 0.000 0.210 199 L C -0.802 176.075 176.870 0.011 0.000 1.081 199 L CA 1.223 56.117 54.840 0.089 0.000 0.752 199 L CB -1.348 40.766 42.059 0.091 0.000 0.896 199 L HN 0.304 nan 8.230 nan 0.000 0.433 200 P HA -0.099 nan 4.420 nan 0.000 0.221 200 P C 1.801 179.107 177.300 0.011 0.000 1.150 200 P CA 0.894 64.013 63.100 0.033 0.000 0.800 200 P CB 0.149 31.878 31.700 0.048 0.000 0.787 201 V N -0.414 119.532 119.914 0.052 0.000 2.379 201 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 201 V C 2.321 178.375 176.094 -0.066 0.000 1.044 201 V CA 1.335 63.647 62.300 0.020 0.000 1.036 201 V CB -1.187 30.728 31.823 0.153 0.000 0.664 201 V HN 0.060 nan 8.190 nan 0.000 0.453 202 L N 1.183 122.323 121.223 -0.138 0.000 2.042 202 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 202 L C 2.462 179.193 176.870 -0.231 0.000 1.076 202 L CA 2.415 57.048 54.840 -0.345 0.000 0.749 202 L CB -0.892 40.651 42.059 -0.861 0.000 0.893 202 L HN 0.212 nan 8.230 nan 0.000 0.432 203 A N -0.414 122.320 122.820 -0.143 0.000 1.908 203 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 203 A C 2.460 180.058 177.584 0.022 0.000 1.181 203 A CA 1.977 54.011 52.037 -0.006 0.000 0.627 203 A CB -1.220 17.810 19.000 0.051 0.000 0.818 203 A HN 0.620 nan 8.150 nan 0.000 0.445 204 A N -0.485 122.315 122.820 -0.032 0.000 1.858 204 A HA 0.123 4.443 4.320 -0.000 0.000 0.216 204 A C 2.472 180.020 177.584 -0.059 0.000 1.190 204 A CA 2.006 54.011 52.037 -0.053 0.000 0.617 204 A CB -1.504 17.448 19.000 -0.080 0.000 0.827 204 A HN 0.760 nan 8.150 nan 0.000 0.443 205 G N 0.748 109.507 108.800 -0.067 0.000 2.446 205 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 205 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 205 G C 1.521 176.488 174.900 0.113 0.000 1.168 205 G CA 1.335 46.426 45.100 -0.015 0.000 0.771 205 G HN 0.884 nan 8.290 nan 0.000 0.551 206 I N -1.734 118.852 120.570 0.028 0.000 2.676 206 I HA 0.030 4.200 4.170 -0.000 0.000 0.259 206 I C 2.271 178.409 176.117 0.035 0.000 1.194 206 I CA 1.498 62.823 61.300 0.042 0.000 1.473 206 I CB -0.544 37.362 38.000 -0.156 0.000 1.096 206 I HN -0.070 nan 8.210 nan 0.000 0.443 207 T N 1.368 115.969 114.554 0.078 0.000 2.857 207 T HA 0.037 4.387 4.350 -0.000 0.000 0.266 207 T C 1.906 176.641 174.700 0.058 0.000 1.048 207 T CA 1.554 63.724 62.100 0.117 0.000 1.139 207 T CB -0.169 68.769 68.868 0.118 0.000 0.874 207 T HN 0.322 nan 8.240 nan 0.000 0.455 208 M N 0.382 119.975 119.600 -0.011 0.000 2.159 208 M HA -0.009 4.471 4.480 -0.000 0.000 0.263 208 M C 2.203 178.612 176.300 0.182 0.000 1.063 208 M CA 1.165 56.375 55.300 -0.151 0.000 1.110 208 M CB -0.388 31.867 32.600 -0.575 0.000 1.374 208 M HN 0.167 nan 8.290 nan 0.000 0.411 209 L N 0.429 121.888 121.223 0.393 0.000 2.056 209 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 209 L C 2.139 179.096 176.870 0.144 0.000 1.078 209 L CA 1.538 56.595 54.840 0.361 0.000 0.749 209 L CB -0.680 41.516 42.059 0.228 0.000 0.901 209 L HN 0.204 nan 8.230 nan 0.000 0.433 210 L N -0.702 120.564 121.223 0.071 0.000 2.046 210 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 210 L C 2.580 179.486 176.870 0.060 0.000 1.077 210 L CA 2.474 57.316 54.840 0.003 0.000 0.747 210 L CB -0.938 41.100 42.059 -0.035 0.000 0.896 210 L HN 0.609 nan 8.230 nan 0.000 0.432 211 T N -4.704 109.916 114.554 0.109 0.000 2.904 211 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 211 T C 1.636 176.400 174.700 0.107 0.000 1.059 211 T CA 1.183 63.358 62.100 0.125 0.000 1.137 211 T CB -0.597 68.383 68.868 0.187 0.000 0.879 211 T HN 0.271 nan 8.240 nan 0.000 0.467 212 D N 1.312 121.789 120.400 0.130 0.000 2.144 212 D HA 0.022 4.662 4.640 -0.000 0.000 0.199 212 D C 2.456 178.795 176.300 0.065 0.000 0.984 212 D CA 0.846 54.897 54.000 0.085 0.000 0.834 212 D CB -0.160 40.715 40.800 0.125 0.000 0.955 212 D HN 0.437 nan 8.370 nan 0.000 0.465 213 R N -0.281 120.259 120.500 0.067 0.000 2.153 213 R HA 0.143 4.483 4.340 -0.000 0.000 0.218 213 R C 1.093 177.417 176.300 0.040 0.000 1.072 213 R CA 0.716 56.844 56.100 0.046 0.000 0.990 213 R CB 0.194 30.511 30.300 0.027 0.000 0.889 213 R HN 0.179 nan 8.270 nan 0.000 0.452 214 N N -0.920 117.807 118.700 0.046 0.000 2.211 214 N HA 0.116 4.856 4.740 -0.000 0.000 0.216 214 N C 0.629 176.166 175.510 0.045 0.000 1.240 214 N CA 0.221 53.300 53.050 0.048 0.000 0.895 214 N CB 1.177 39.701 38.487 0.061 0.000 1.102 214 N HN 0.087 nan 8.380 nan 0.000 0.498 215 L N 0.862 122.111 121.223 0.044 0.000 3.122 215 L HA 0.287 4.626 4.340 -0.000 0.000 0.274 215 L C -0.221 176.654 176.870 0.008 0.000 1.222 215 L CA -0.024 54.836 54.840 0.032 0.000 1.028 215 L CB 0.081 42.168 42.059 0.046 0.000 1.386 215 L HN -0.054 nan 8.230 nan 0.000 0.578 216 N N 0.797 119.498 118.700 0.002 0.000 2.747 216 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 216 N C 0.486 175.956 175.510 -0.067 0.000 1.107 216 N CA 1.337 54.374 53.050 -0.022 0.000 0.707 216 N CB -1.346 37.129 38.487 -0.021 0.000 1.054 216 N HN 0.550 nan 8.380 nan 0.000 0.555 217 T N -2.717 111.789 114.554 -0.080 0.000 2.816 217 T HA 0.563 4.913 4.350 -0.000 0.000 0.282 217 T C 1.117 175.680 174.700 -0.228 0.000 0.993 217 T CA 0.209 62.176 62.100 -0.221 0.000 0.994 217 T CB 1.750 70.468 68.868 -0.251 0.000 1.025 217 T HN 0.249 nan 8.240 nan 0.000 0.529 218 T N -1.554 112.765 114.554 -0.392 0.000 3.697 218 T HA 0.330 4.680 4.350 -0.000 0.000 0.260 218 T C 0.544 175.058 174.700 -0.310 0.000 0.998 218 T CA -0.677 61.273 62.100 -0.249 0.000 1.128 218 T CB -0.987 67.784 68.868 -0.161 0.000 1.082 218 T HN 0.469 nan 8.240 nan 0.000 0.541 219 F N 0.724 120.455 119.950 -0.365 0.000 2.161 219 F HA 0.109 4.636 4.527 -0.000 0.000 0.300 219 F C 1.230 176.740 175.800 -0.483 0.000 1.089 219 F CA 1.130 58.780 58.000 -0.582 0.000 1.282 219 F CB -0.241 38.079 39.000 -1.133 0.000 1.010 219 F HN 0.372 nan 8.300 nan 0.000 0.485 220 F N -1.568 118.513 119.950 0.218 0.000 2.683 220 F HA 0.225 4.752 4.527 -0.000 0.000 0.306 220 F C 0.052 175.893 175.800 0.068 0.000 1.102 220 F CA -0.921 57.159 58.000 0.133 0.000 1.244 220 F CB -0.310 38.758 39.000 0.113 0.000 1.029 220 F HN -0.273 nan 8.300 nan 0.000 0.545 221 D N 1.599 122.079 120.400 0.134 0.000 2.392 221 D HA 0.262 4.902 4.640 -0.000 0.000 0.228 221 D C -1.981 174.349 176.300 0.050 0.000 1.074 221 D CA -2.465 51.583 54.000 0.079 0.000 0.838 221 D CB 2.148 42.968 40.800 0.032 0.000 1.067 221 D HN -0.097 nan 8.370 nan 0.000 0.511 222 P HA -0.125 nan 4.420 nan 0.000 0.218 222 P C 1.035 178.349 177.300 0.024 0.000 1.148 222 P CA 1.256 64.383 63.100 0.046 0.000 0.822 222 P CB 0.244 31.973 31.700 0.050 0.000 0.784 223 A N -0.212 122.619 122.820 0.018 0.000 1.978 223 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 223 A C 2.233 179.811 177.584 -0.010 0.000 1.170 223 A CA 2.020 54.060 52.037 0.006 0.000 0.636 223 A CB -1.677 17.326 19.000 0.005 0.000 0.810 223 A HN 0.331 nan 8.150 nan 0.000 0.448 224 G N -2.640 106.146 108.800 -0.023 0.000 3.337 224 G HA2 0.411 4.371 3.960 -0.000 0.000 0.246 224 G HA3 0.411 4.371 3.960 -0.000 0.000 0.246 224 G C 1.001 175.872 174.900 -0.049 0.000 1.131 224 G CA 0.464 45.534 45.100 -0.050 0.000 0.773 224 G HN 1.617 nan 8.290 nan 0.000 0.544 225 G N -1.114 107.674 108.800 -0.019 0.000 2.141 225 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.231 225 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.231 225 G C 0.772 175.678 174.900 0.010 0.000 0.984 225 G CA 0.182 45.279 45.100 -0.005 0.000 0.660 225 G HN 0.973 nan 8.290 nan 0.000 0.525 226 G N -0.949 107.858 108.800 0.012 0.000 2.563 226 G HA2 0.517 4.477 3.960 -0.000 0.000 0.283 226 G HA3 0.517 4.477 3.960 -0.000 0.000 0.283 226 G C -0.770 174.203 174.900 0.122 0.000 1.309 226 G CA 0.522 45.655 45.100 0.055 0.000 1.022 226 G HN 0.453 nan 8.290 nan 0.000 0.501 227 D N -1.439 119.090 120.400 0.215 0.000 2.890 227 D HA 0.337 4.977 4.640 -0.000 0.000 0.233 227 D C -2.083 174.392 176.300 0.293 0.000 1.306 227 D CA -1.633 52.497 54.000 0.216 0.000 0.929 227 D CB 2.266 43.185 40.800 0.198 0.000 1.512 227 D HN -0.054 nan 8.370 nan 0.000 0.568 228 P HA -0.032 nan 4.420 nan 0.000 0.220 228 P C 1.565 178.855 177.300 -0.017 0.000 1.148 228 P CA 0.381 63.527 63.100 0.076 0.000 0.803 228 P CB 0.361 32.070 31.700 0.015 0.000 0.782 229 I N -1.193 119.397 120.570 0.032 0.000 2.493 229 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 229 I C 2.091 178.250 176.117 0.070 0.000 1.160 229 I CA 0.918 62.208 61.300 -0.016 0.000 1.445 229 I CB -1.623 36.398 38.000 0.035 0.000 1.086 229 I HN 0.008 nan 8.210 nan 0.000 0.433 230 L N 0.697 122.055 121.223 0.225 0.000 2.046 230 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 230 L C 2.618 179.594 176.870 0.178 0.000 1.077 230 L CA 1.854 56.890 54.840 0.327 0.000 0.747 230 L CB -1.211 41.119 42.059 0.452 0.000 0.896 230 L HN 0.254 nan 8.230 nan 0.000 0.432 231 Y N 0.252 120.402 120.300 -0.251 0.000 2.165 231 Y HA -0.312 4.238 4.550 -0.000 0.000 0.286 231 Y C 2.562 178.283 175.900 -0.298 0.000 1.155 231 Y CA 2.259 59.971 58.100 -0.647 0.000 1.164 231 Y CB -0.256 37.437 38.460 -1.278 0.000 0.978 231 Y HN 0.406 nan 8.280 nan 0.000 0.513 232 Q N -1.087 118.606 119.800 -0.178 0.000 2.096 232 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 232 Q C 2.076 178.134 176.000 0.097 0.000 0.982 232 Q CA 1.584 57.312 55.803 -0.125 0.000 0.850 232 Q CB -0.365 28.216 28.738 -0.261 0.000 0.901 232 Q HN 0.623 nan 8.270 nan 0.000 0.422 233 H N 0.539 119.704 119.070 0.160 0.000 2.321 233 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 233 H C 2.240 177.567 175.328 -0.002 0.000 1.087 233 H CA 1.214 57.407 56.048 0.241 0.000 1.319 233 H CB -0.226 29.675 29.762 0.232 0.000 1.379 233 H HN 0.212 nan 8.280 nan 0.000 0.501 234 L N -0.531 120.700 121.223 0.013 0.000 2.046 234 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 234 L C 2.551 179.315 176.870 -0.178 0.000 1.077 234 L CA 1.100 55.865 54.840 -0.125 0.000 0.747 234 L CB -0.541 41.415 42.059 -0.172 0.000 0.896 234 L HN 0.106 nan 8.230 nan 0.000 0.432 235 F N -0.197 119.462 119.950 -0.485 0.000 2.075 235 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 235 F C 2.045 177.635 175.800 -0.350 0.000 1.113 235 F CA 1.513 59.175 58.000 -0.564 0.000 1.218 235 F CB -0.419 38.037 39.000 -0.907 0.000 0.984 235 F HN -0.039 nan 8.300 nan 0.000 0.472 236 W N -1.064 120.283 121.300 0.077 0.000 2.519 236 W HA -0.110 4.550 4.660 -0.000 0.000 0.266 236 W C 2.234 178.722 176.519 -0.051 0.000 1.253 236 W CA 0.515 57.881 57.345 0.036 0.000 1.274 236 W CB -0.625 29.009 29.460 0.289 0.000 1.114 236 W HN 0.100 nan 8.180 nan 0.000 0.596 237 F N -0.086 119.774 119.950 -0.151 0.000 2.216 237 F HA -0.228 4.299 4.527 -0.000 0.000 0.300 237 F C 2.156 177.873 175.800 -0.137 0.000 1.085 237 F CA 1.686 59.470 58.000 -0.360 0.000 1.326 237 F CB -0.418 38.242 39.000 -0.566 0.000 1.027 237 F HN -0.027 nan 8.300 nan 0.000 0.497 238 F N 0.198 119.997 119.950 -0.253 0.000 2.220 238 F HA 0.223 4.750 4.527 -0.000 0.000 0.290 238 F C 2.274 177.844 175.800 -0.384 0.000 1.080 238 F CA 1.296 59.102 58.000 -0.324 0.000 1.318 238 F CB -1.220 37.564 39.000 -0.361 0.000 1.063 238 F HN -0.117 nan 8.300 nan 0.000 0.498 239 G N -0.358 107.903 108.800 -0.898 0.000 2.505 239 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.220 239 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.220 239 G C 1.488 176.154 174.900 -0.390 0.000 1.145 239 G CA 1.561 46.166 45.100 -0.825 0.000 0.761 239 G HN 0.562 nan 8.290 nan 0.000 0.571 240 H N 1.696 120.722 119.070 -0.072 0.000 2.299 240 H HA 0.022 4.578 4.556 -0.000 0.000 0.302 240 H C 0.270 175.529 175.328 -0.116 0.000 1.078 240 H CA 1.508 57.578 56.048 0.036 0.000 1.323 240 H CB -0.715 29.154 29.762 0.177 0.000 1.381 240 H HN 0.264 nan 8.280 nan 0.000 0.498 241 P HA -0.182 nan 4.420 nan 0.000 0.217 241 P C 1.261 178.280 177.300 -0.469 0.000 1.151 241 P CA 2.058 64.851 63.100 -0.512 0.000 0.849 241 P CB 0.017 31.192 31.700 -0.875 0.000 0.787 242 E N -0.022 119.749 120.200 -0.716 0.000 2.097 242 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 242 E C 1.719 178.017 176.600 -0.504 0.000 1.000 242 E CA 1.627 57.625 56.400 -0.670 0.000 0.804 242 E CB -1.223 27.859 29.700 -1.030 0.000 0.740 242 E HN 0.146 nan 8.360 nan 0.000 0.454 243 V N -1.253 118.314 119.914 -0.579 0.000 2.515 243 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 243 V C 1.878 177.591 176.094 -0.636 0.000 1.058 243 V CA 1.673 63.612 62.300 -0.601 0.000 1.064 243 V CB -1.078 30.369 31.823 -0.626 0.000 0.675 243 V HN 0.234 nan 8.190 nan 0.000 0.461 244 Y N 0.274 120.391 120.300 -0.305 0.000 2.373 244 Y HA 0.205 4.755 4.550 -0.000 0.000 0.293 244 Y C 2.323 178.097 175.900 -0.210 0.000 1.129 244 Y CA 1.337 59.320 58.100 -0.195 0.000 1.226 244 Y CB -0.435 37.959 38.460 -0.111 0.000 1.000 244 Y HN 0.199 nan 8.280 nan 0.000 0.549 245 I N -0.612 119.874 120.570 -0.141 0.000 2.394 245 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 245 I C 1.765 177.779 176.117 -0.172 0.000 1.136 245 I CA 1.211 62.430 61.300 -0.134 0.000 1.425 245 I CB -0.206 37.706 38.000 -0.148 0.000 1.079 245 I HN 0.211 nan 8.210 nan 0.000 0.425 246 L N -0.571 120.508 121.223 -0.240 0.000 2.313 246 L HA -0.102 4.238 4.340 -0.000 0.000 0.214 246 L C 2.210 178.956 176.870 -0.206 0.000 1.119 246 L CA 0.690 55.392 54.840 -0.229 0.000 0.809 246 L CB -0.053 41.828 42.059 -0.296 0.000 0.933 246 L HN 0.223 nan 8.230 nan 0.000 0.449 247 I N -1.017 119.387 120.570 -0.276 0.000 3.339 247 I HA -0.048 4.122 4.170 -0.000 0.000 0.285 247 I C 2.035 177.819 176.117 -0.555 0.000 1.201 247 I CA 0.819 61.881 61.300 -0.396 0.000 1.434 247 I CB 0.171 37.861 38.000 -0.516 0.000 1.152 247 I HN 0.004 nan 8.210 nan 0.000 0.443 248 L N 1.242 122.237 121.223 -0.380 0.000 1.997 248 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 248 L C -0.430 176.425 176.870 -0.026 0.000 1.074 248 L CA 1.931 56.663 54.840 -0.181 0.000 0.763 248 L CB -1.871 40.173 42.059 -0.024 0.000 0.890 248 L HN 0.189 nan 8.230 nan 0.000 0.434 249 P HA -0.118 nan 4.420 nan 0.000 0.220 249 P C 1.476 178.877 177.300 0.168 0.000 1.148 249 P CA 1.593 64.738 63.100 0.075 0.000 0.803 249 P CB -0.145 31.590 31.700 0.058 0.000 0.782 250 G N -1.402 107.413 108.800 0.025 0.000 2.402 250 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 250 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 250 G C 1.461 176.335 174.900 -0.043 0.000 1.162 250 G CA 0.191 45.267 45.100 -0.040 0.000 0.777 250 G HN 0.228 nan 8.290 nan 0.000 0.539 251 F N 1.333 121.249 119.950 -0.055 0.000 2.126 251 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 251 F C 3.018 178.929 175.800 0.186 0.000 1.096 251 F CA 0.362 58.409 58.000 0.079 0.000 1.255 251 F CB -0.154 38.999 39.000 0.255 0.000 0.997 251 F HN 0.276 nan 8.300 nan 0.000 0.479 252 G N 0.302 109.363 108.800 0.433 0.000 2.459 252 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 252 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 252 G C 1.571 176.755 174.900 0.473 0.000 1.183 252 G CA 0.822 46.220 45.100 0.497 0.000 0.776 252 G HN 0.217 nan 8.290 nan 0.000 0.552 253 M N 0.069 119.836 119.600 0.279 0.000 2.175 253 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 253 M C 2.469 178.780 176.300 0.019 0.000 1.063 253 M CA 0.828 56.173 55.300 0.076 0.000 1.119 253 M CB -0.303 32.226 32.600 -0.118 0.000 1.377 253 M HN 0.104 nan 8.290 nan 0.000 0.415 254 I N 0.008 120.471 120.570 -0.179 0.000 2.226 254 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 254 I C 2.455 178.406 176.117 -0.276 0.000 1.100 254 I CA 1.464 62.485 61.300 -0.465 0.000 1.374 254 I CB -1.298 36.018 38.000 -1.140 0.000 1.057 254 I HN 0.232 nan 8.210 nan 0.000 0.413 255 S N -0.504 115.245 115.700 0.081 0.000 2.370 255 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 255 S C 1.885 176.646 174.600 0.267 0.000 1.033 255 S CA 1.075 59.490 58.200 0.359 0.000 1.011 255 S CB -0.413 63.122 63.200 0.558 0.000 0.852 255 S HN 0.515 nan 8.310 nan 0.000 0.457 256 H N 0.188 119.360 119.070 0.170 0.000 2.363 256 H HA 0.085 4.641 4.556 -0.000 0.000 0.301 256 H C 2.148 177.444 175.328 -0.054 0.000 1.074 256 H CA 1.273 57.414 56.048 0.154 0.000 1.354 256 H CB -0.124 29.823 29.762 0.308 0.000 1.397 256 H HN 0.341 nan 8.280 nan 0.000 0.516 257 I N 0.340 120.867 120.570 -0.071 0.000 2.179 257 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 257 I C 2.502 178.620 176.117 0.002 0.000 1.088 257 I CA 0.724 61.895 61.300 -0.216 0.000 1.357 257 I CB -0.137 37.730 38.000 -0.220 0.000 1.051 257 I HN 0.012 nan 8.210 nan 0.000 0.409 258 V N 0.421 120.322 119.914 -0.021 0.000 2.358 258 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 258 V C 2.501 178.628 176.094 0.056 0.000 1.047 258 V CA 2.389 64.698 62.300 0.016 0.000 1.035 258 V CB -0.799 31.014 31.823 -0.017 0.000 0.658 258 V HN 0.465 nan 8.190 nan 0.000 0.452 259 T N -1.079 113.519 114.554 0.073 0.000 2.708 259 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 259 T C 1.728 176.419 174.700 -0.016 0.000 1.037 259 T CA 2.137 64.272 62.100 0.058 0.000 1.146 259 T CB -0.372 68.537 68.868 0.069 0.000 0.865 259 T HN 0.551 nan 8.240 nan 0.000 0.435 260 Y N 0.708 120.896 120.300 -0.187 0.000 2.097 260 Y HA -0.210 4.340 4.550 -0.000 0.000 0.282 260 Y C 1.835 177.466 175.900 -0.449 0.000 1.152 260 Y CA 1.405 59.285 58.100 -0.367 0.000 1.136 260 Y CB -0.367 37.733 38.460 -0.600 0.000 0.975 260 Y HN 0.246 nan 8.280 nan 0.000 0.498 261 Y N -0.979 119.339 120.300 0.030 0.000 2.578 261 Y HA 0.001 4.551 4.550 -0.000 0.000 0.297 261 Y C 2.147 177.952 175.900 -0.158 0.000 1.176 261 Y CA 0.865 58.922 58.100 -0.071 0.000 1.315 261 Y CB -0.188 38.225 38.460 -0.079 0.000 1.031 261 Y HN 0.027 nan 8.280 nan 0.000 0.524 262 S N -0.984 114.687 115.700 -0.049 0.000 2.556 262 S HA 0.204 4.674 4.470 -0.000 0.000 0.216 262 S C 1.690 176.227 174.600 -0.106 0.000 0.970 262 S CA 0.537 58.694 58.200 -0.071 0.000 0.912 262 S CB -0.119 63.065 63.200 -0.027 0.000 0.790 262 S HN 0.643 nan 8.310 nan 0.000 0.504 263 G N 1.755 110.446 108.800 -0.181 0.000 2.198 263 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 263 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 263 G C -0.105 174.700 174.900 -0.159 0.000 1.025 263 G CA 0.275 45.246 45.100 -0.216 0.000 0.769 263 G HN 0.372 nan 8.290 nan 0.000 0.507 264 K N -0.274 120.048 120.400 -0.129 0.000 2.098 264 K HA 0.564 4.884 4.320 -0.000 0.000 0.258 264 K C 1.444 178.005 176.600 -0.065 0.000 0.973 264 K CA -0.296 55.953 56.287 -0.062 0.000 0.898 264 K CB 0.955 33.455 32.500 0.000 0.000 1.057 264 K HN 0.256 nan 8.250 nan 0.000 0.447 265 K N 1.410 121.791 120.400 -0.032 0.000 2.426 265 K HA 0.043 4.363 4.320 -0.000 0.000 0.193 265 K C -0.415 176.193 176.600 0.013 0.000 1.028 265 K CA 0.472 56.748 56.287 -0.018 0.000 1.047 265 K CB 0.187 32.679 32.500 -0.014 0.000 0.821 265 K HN 0.637 nan 8.250 nan 0.000 0.513 266 E N 0.545 120.763 120.200 0.031 0.000 2.401 266 E HA 0.317 4.667 4.350 -0.000 0.000 0.280 266 E C -3.123 173.540 176.600 0.105 0.000 1.039 266 E CA -2.241 54.195 56.400 0.059 0.000 0.814 266 E CB 1.530 31.253 29.700 0.040 0.000 1.275 266 E HN -0.164 nan 8.360 nan 0.000 0.448 267 P HA 0.142 nan 4.420 nan 0.000 0.277 267 P C -0.679 176.758 177.300 0.228 0.000 1.240 267 P CA -0.419 62.812 63.100 0.218 0.000 0.798 267 P CB 0.520 32.370 31.700 0.250 0.000 0.979 268 F N 1.750 121.773 119.950 0.122 0.000 2.529 268 F HA 0.363 4.890 4.527 -0.000 0.000 0.365 268 F C 1.338 177.186 175.800 0.080 0.000 1.102 268 F CA 1.178 59.235 58.000 0.096 0.000 1.271 268 F CB -0.034 39.022 39.000 0.092 0.000 1.120 268 F HN 0.701 nan 8.300 nan 0.000 0.579 269 G N 5.985 114.443 108.800 -0.570 0.000 2.372 269 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G C 0.356 175.237 174.900 -0.033 0.000 1.005 269 G CA 0.685 45.595 45.100 -0.316 0.000 1.173 269 G HN 1.065 nan 8.290 nan 0.000 0.511 270 Y N 0.546 120.792 120.300 -0.091 0.000 2.069 270 Y HA -0.292 4.258 4.550 -0.000 0.000 0.278 270 Y C 2.675 178.552 175.900 -0.039 0.000 1.175 270 Y CA 2.725 60.815 58.100 -0.018 0.000 1.134 270 Y CB -0.097 38.373 38.460 0.017 0.000 0.965 270 Y HN 0.412 nan 8.280 nan 0.000 0.498 271 M N -0.129 119.496 119.600 0.042 0.000 2.213 271 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 271 M C 2.389 178.622 176.300 -0.112 0.000 1.062 271 M CA 1.444 56.693 55.300 -0.085 0.000 1.105 271 M CB -1.908 30.670 32.600 -0.036 0.000 1.385 271 M HN 0.515 nan 8.290 nan 0.000 0.417 272 G N -0.404 108.354 108.800 -0.071 0.000 2.421 272 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 272 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 272 G C 1.541 176.473 174.900 0.054 0.000 1.143 272 G CA 0.338 45.447 45.100 0.015 0.000 0.784 272 G HN 0.257 nan 8.290 nan 0.000 0.541 273 M N 0.487 120.029 119.600 -0.096 0.000 2.200 273 M HA 0.041 4.521 4.480 -0.000 0.000 0.265 273 M C 2.727 178.881 176.300 -0.243 0.000 1.066 273 M CA 0.676 55.880 55.300 -0.160 0.000 1.127 273 M CB -0.926 31.577 32.600 -0.161 0.000 1.379 273 M HN 0.104 nan 8.290 nan 0.000 0.420 274 V N -0.979 118.679 119.914 -0.428 0.000 2.307 274 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 274 V C 2.093 177.969 176.094 -0.364 0.000 1.045 274 V CA 1.856 63.756 62.300 -0.667 0.000 1.024 274 V CB -0.852 30.377 31.823 -0.991 0.000 0.651 274 V HN 0.633 nan 8.190 nan 0.000 0.449 275 W N 1.207 122.306 121.300 -0.336 0.000 2.335 275 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 275 W C 2.421 178.856 176.519 -0.139 0.000 1.213 275 W CA 2.256 59.479 57.345 -0.204 0.000 1.274 275 W CB -0.432 28.934 29.460 -0.157 0.000 1.148 275 W HN 0.189 nan 8.180 nan 0.000 0.498 276 A N 0.511 123.229 122.820 -0.171 0.000 1.877 276 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 276 A C 2.066 179.460 177.584 -0.317 0.000 1.186 276 A CA 2.280 54.086 52.037 -0.384 0.000 0.620 276 A CB -0.948 17.978 19.000 -0.123 0.000 0.822 276 A HN 0.427 nan 8.150 nan 0.000 0.443 277 M N -1.224 118.269 119.600 -0.178 0.000 2.175 277 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 277 M C 2.357 178.610 176.300 -0.078 0.000 1.063 277 M CA 1.367 56.639 55.300 -0.047 0.000 1.119 277 M CB -0.450 32.166 32.600 0.026 0.000 1.377 277 M HN 0.425 nan 8.290 nan 0.000 0.415 278 M N -0.729 118.769 119.600 -0.170 0.000 2.132 278 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 278 M C 2.264 178.483 176.300 -0.136 0.000 1.065 278 M CA 1.382 56.616 55.300 -0.110 0.000 1.122 278 M CB -0.507 32.018 32.600 -0.124 0.000 1.365 278 M HN 0.202 nan 8.290 nan 0.000 0.411 279 S N 1.069 116.548 115.700 -0.368 0.000 2.368 279 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 279 S C 1.843 176.350 174.600 -0.154 0.000 1.030 279 S CA 1.132 59.125 58.200 -0.344 0.000 0.999 279 S CB -0.371 62.345 63.200 -0.807 0.000 0.844 279 S HN 0.361 nan 8.310 nan 0.000 0.459 280 I N 1.533 121.989 120.570 -0.190 0.000 2.226 280 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 280 I C 2.661 178.665 176.117 -0.189 0.000 1.100 280 I CA 1.161 62.359 61.300 -0.169 0.000 1.374 280 I CB -0.770 37.210 38.000 -0.033 0.000 1.057 280 I HN 0.372 nan 8.210 nan 0.000 0.413 281 G N 0.516 109.291 108.800 -0.042 0.000 2.418 281 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 281 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 281 G C 1.570 176.565 174.900 0.159 0.000 1.158 281 G CA 0.542 45.671 45.100 0.048 0.000 0.771 281 G HN 0.329 nan 8.290 nan 0.000 0.545 282 F N 1.294 121.265 119.950 0.036 0.000 2.060 282 F HA 0.060 4.587 4.527 -0.000 0.000 0.295 282 F C 2.489 178.350 175.800 0.102 0.000 1.120 282 F CA 1.212 59.273 58.000 0.102 0.000 1.205 282 F CB -0.467 38.545 39.000 0.020 0.000 0.986 282 F HN 0.030 nan 8.300 nan 0.000 0.470 283 L N 0.272 121.429 121.223 -0.110 0.000 2.127 283 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 283 L C 2.632 179.351 176.870 -0.251 0.000 1.089 283 L CA 1.283 55.991 54.840 -0.219 0.000 0.757 283 L CB -1.524 40.469 42.059 -0.110 0.000 0.899 283 L HN 0.403 nan 8.230 nan 0.000 0.434 284 G N -1.229 107.388 108.800 -0.305 0.000 2.586 284 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 284 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 284 G C 1.173 175.952 174.900 -0.201 0.000 1.128 284 G CA 0.195 45.130 45.100 -0.274 0.000 0.774 284 G HN 0.273 nan 8.290 nan 0.000 0.543 285 F N 0.020 119.876 119.950 -0.156 0.000 2.746 285 F HA 0.306 4.833 4.527 -0.000 0.000 0.297 285 F C 1.871 177.684 175.800 0.022 0.000 1.113 285 F CA -0.210 57.678 58.000 -0.186 0.000 1.367 285 F CB 0.446 39.310 39.000 -0.226 0.000 1.111 285 F HN 0.212 nan 8.300 nan 0.000 0.590 286 I N -1.711 118.965 120.570 0.176 0.000 3.762 286 I HA 0.269 4.439 4.170 -0.000 0.000 0.333 286 I C 0.301 176.564 176.117 0.244 0.000 1.566 286 I CA 0.009 61.501 61.300 0.320 0.000 1.129 286 I CB 0.152 38.222 38.000 0.117 0.000 1.218 286 I HN -0.099 nan 8.210 nan 0.000 0.456 287 V N -3.420 116.616 119.914 0.203 0.000 3.382 287 V HA 0.200 4.320 4.120 -0.000 0.000 0.296 287 V C 1.696 177.591 176.094 -0.332 0.000 1.529 287 V CA -0.126 62.182 62.300 0.015 0.000 1.048 287 V CB -0.857 30.838 31.823 -0.214 0.000 0.878 287 V HN 0.709 nan 8.190 nan 0.000 0.442 288 W N 2.560 123.787 121.300 -0.121 0.000 2.308 288 W HA -0.127 4.533 4.660 -0.000 0.000 0.301 288 W C 1.841 178.105 176.519 -0.424 0.000 1.220 288 W CA 2.221 59.459 57.345 -0.177 0.000 1.240 288 W CB -0.993 28.544 29.460 0.129 0.000 1.142 288 W HN 0.258 nan 8.180 nan 0.000 0.521 289 A N 1.661 123.541 122.820 -1.566 0.000 2.248 289 A HA -0.182 4.138 4.320 -0.000 0.000 0.210 289 A C 1.808 178.634 177.584 -1.264 0.000 1.174 289 A CA 1.245 52.402 52.037 -1.468 0.000 0.750 289 A CB -1.862 15.899 19.000 -2.065 0.000 0.780 289 A HN 0.820 nan 8.150 nan 0.000 0.478 290 H N -3.121 115.259 119.070 -1.151 0.000 2.561 290 H HA -0.012 4.544 4.556 -0.000 0.000 0.278 290 H C 0.807 175.289 175.328 -1.411 0.000 1.014 290 H CA 0.917 55.998 56.048 -1.610 0.000 1.211 290 H CB -0.306 28.913 29.762 -0.905 0.000 1.365 290 H HN 0.653 nan 8.280 nan 0.000 0.594 291 H N 0.376 119.026 119.070 -0.700 0.000 2.529 291 H HA 0.228 4.784 4.556 -0.000 0.000 0.277 291 H C 0.501 175.483 175.328 -0.576 0.000 1.004 291 H CA 0.228 55.829 56.048 -0.745 0.000 1.167 291 H CB 0.539 29.304 29.762 -1.663 0.000 1.445 291 H HN 0.480 nan 8.280 nan 0.000 0.554 292 M N -0.363 118.908 119.600 -0.548 0.000 2.848 292 M HA 0.112 4.592 4.480 -0.000 0.000 0.420 292 M C 0.105 176.254 176.300 -0.252 0.000 1.304 292 M CA -0.198 54.895 55.300 -0.345 0.000 0.844 292 M CB 0.523 32.954 32.600 -0.281 0.000 1.451 292 M HN -0.089 nan 8.290 nan 0.000 0.511 293 F N 0.835 120.595 119.950 -0.317 0.000 2.451 293 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 293 F C 2.540 178.222 175.800 -0.196 0.000 1.101 293 F CA 1.469 59.331 58.000 -0.230 0.000 1.436 293 F CB -0.710 38.173 39.000 -0.195 0.000 1.074 293 F HN 0.287 nan 8.300 nan 0.000 0.553 294 T N -3.792 110.705 114.554 -0.095 0.000 3.054 294 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 294 T C 1.678 176.369 174.700 -0.016 0.000 1.035 294 T CA 0.687 62.756 62.100 -0.052 0.000 0.941 294 T CB -0.698 68.138 68.868 -0.052 0.000 1.026 294 T HN 0.100 nan 8.240 nan 0.000 0.533 295 V N -0.949 118.947 119.914 -0.030 0.000 3.141 295 V HA 0.474 4.594 4.120 -0.000 0.000 0.265 295 V C 1.427 177.535 176.094 0.023 0.000 1.126 295 V CA 0.531 62.830 62.300 -0.003 0.000 1.141 295 V CB -1.429 30.374 31.823 -0.034 0.000 0.743 295 V HN 0.887 nan 8.190 nan 0.000 0.492 296 G N 0.164 108.982 108.800 0.031 0.000 2.754 296 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 296 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 296 G C -0.487 174.449 174.900 0.059 0.000 1.121 296 G CA 0.086 45.212 45.100 0.043 0.000 0.954 296 G HN 0.479 nan 8.290 nan 0.000 0.511 297 M N 0.326 119.967 119.600 0.069 0.000 2.528 297 M HA 0.377 4.857 4.480 -0.000 0.000 0.318 297 M C 0.131 176.482 176.300 0.086 0.000 1.195 297 M CA -0.883 54.473 55.300 0.095 0.000 1.000 297 M CB 0.739 33.412 32.600 0.122 0.000 1.615 297 M HN 0.176 nan 8.290 nan 0.000 0.469 298 D N 1.003 121.458 120.400 0.092 0.000 2.478 298 D HA -0.064 4.576 4.640 -0.000 0.000 0.234 298 D C 0.875 177.218 176.300 0.073 0.000 1.154 298 D CA 0.081 54.126 54.000 0.075 0.000 0.874 298 D CB 0.797 41.643 40.800 0.076 0.000 1.198 298 D HN 0.344 nan 8.370 nan 0.000 0.455 299 V N 1.914 121.855 119.914 0.045 0.000 2.407 299 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 299 V C 1.275 177.395 176.094 0.044 0.000 1.055 299 V CA 1.889 64.206 62.300 0.027 0.000 1.049 299 V CB -0.121 31.706 31.823 0.007 0.000 0.662 299 V HN 0.431 nan 8.190 nan 0.000 0.455 300 D N -0.482 119.951 120.400 0.055 0.000 2.117 300 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 300 D C 2.256 178.626 176.300 0.116 0.000 0.987 300 D CA 1.920 55.959 54.000 0.064 0.000 0.829 300 D CB -0.487 40.342 40.800 0.047 0.000 0.961 300 D HN 0.443 nan 8.370 nan 0.000 0.460 301 T N 0.562 115.206 114.554 0.150 0.000 2.788 301 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 301 T C 1.986 176.926 174.700 0.400 0.000 1.044 301 T CA 0.854 63.114 62.100 0.268 0.000 1.139 301 T CB 0.036 69.067 68.868 0.272 0.000 0.867 301 T HN 0.129 nan 8.240 nan 0.000 0.454 302 R N 0.601 121.257 120.500 0.261 0.000 2.115 302 R HA 0.091 4.431 4.340 -0.000 0.000 0.230 302 R C 2.737 179.097 176.300 0.099 0.000 1.111 302 R CA 1.084 57.312 56.100 0.213 0.000 0.976 302 R CB -0.308 29.989 30.300 -0.005 0.000 0.870 302 R HN 0.339 nan 8.270 nan 0.000 0.445 303 A N 0.308 123.167 122.820 0.065 0.000 1.898 303 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 303 A C 1.938 179.536 177.584 0.022 0.000 1.181 303 A CA 1.064 53.110 52.037 0.014 0.000 0.620 303 A CB -0.612 18.399 19.000 0.019 0.000 0.819 303 A HN 0.466 nan 8.150 nan 0.000 0.442 304 Y N -0.587 119.696 120.300 -0.029 0.000 2.163 304 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 304 Y C 1.842 177.636 175.900 -0.177 0.000 1.136 304 Y CA 1.769 59.781 58.100 -0.146 0.000 1.147 304 Y CB -0.568 37.729 38.460 -0.272 0.000 0.987 304 Y HN 0.230 nan 8.280 nan 0.000 0.509 305 F N 0.236 120.048 119.950 -0.232 0.000 2.269 305 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 305 F C 2.463 178.216 175.800 -0.078 0.000 1.082 305 F CA 1.861 59.705 58.000 -0.260 0.000 1.360 305 F CB -0.930 38.061 39.000 -0.014 0.000 1.041 305 F HN 0.021 nan 8.300 nan 0.000 0.512 306 T N -1.086 113.562 114.554 0.156 0.000 2.737 306 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 306 T C 2.272 176.945 174.700 -0.044 0.000 1.038 306 T CA 1.728 63.879 62.100 0.084 0.000 1.144 306 T CB -0.340 68.489 68.868 -0.064 0.000 0.866 306 T HN 0.174 nan 8.240 nan 0.000 0.434 307 S N 1.586 117.205 115.700 -0.135 0.000 2.345 307 S HA -0.010 4.460 4.470 -0.000 0.000 0.220 307 S C 2.603 177.087 174.600 -0.193 0.000 1.031 307 S CA 0.982 59.095 58.200 -0.146 0.000 0.996 307 S CB -0.662 62.456 63.200 -0.137 0.000 0.882 307 S HN 0.567 nan 8.310 nan 0.000 0.445 308 A N 1.443 124.023 122.820 -0.400 0.000 1.940 308 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 308 A C 2.311 179.786 177.584 -0.183 0.000 1.176 308 A CA 2.109 53.925 52.037 -0.369 0.000 0.631 308 A CB -1.385 17.174 19.000 -0.735 0.000 0.814 308 A HN 0.488 nan 8.150 nan 0.000 0.446 309 T N 0.089 114.573 114.554 -0.118 0.000 2.788 309 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 309 T C 1.910 176.599 174.700 -0.019 0.000 1.044 309 T CA 1.679 63.775 62.100 -0.007 0.000 1.139 309 T CB -0.299 68.637 68.868 0.112 0.000 0.867 309 T HN 0.454 nan 8.240 nan 0.000 0.454 310 M N 0.309 119.891 119.600 -0.030 0.000 2.229 310 M HA 0.045 4.525 4.480 -0.000 0.000 0.264 310 M C 2.181 178.483 176.300 0.004 0.000 1.063 310 M CA 1.329 56.621 55.300 -0.014 0.000 1.114 310 M CB -0.616 31.972 32.600 -0.019 0.000 1.387 310 M HN 0.225 nan 8.290 nan 0.000 0.420 311 I N 0.619 121.185 120.570 -0.007 0.000 2.423 311 I HA -0.307 3.863 4.170 -0.000 0.000 0.254 311 I C 2.149 178.283 176.117 0.027 0.000 1.151 311 I CA 1.193 62.503 61.300 0.017 0.000 1.421 311 I CB -0.414 37.594 38.000 0.013 0.000 1.079 311 I HN 0.294 nan 8.210 nan 0.000 0.431 312 I N 0.867 121.445 120.570 0.012 0.000 2.423 312 I HA -0.286 3.884 4.170 -0.000 0.000 0.254 312 I C 2.730 178.890 176.117 0.071 0.000 1.151 312 I CA 1.085 62.397 61.300 0.021 0.000 1.421 312 I CB -0.545 37.472 38.000 0.028 0.000 1.079 312 I HN 0.214 nan 8.210 nan 0.000 0.431 313 A N 1.189 124.053 122.820 0.075 0.000 2.019 313 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 313 A C 2.252 179.892 177.584 0.094 0.000 1.164 313 A CA 1.216 53.305 52.037 0.087 0.000 0.644 313 A CB -0.541 18.499 19.000 0.066 0.000 0.805 313 A HN 0.373 nan 8.150 nan 0.000 0.449 314 I N 0.444 121.074 120.570 0.101 0.000 2.072 314 I HA -0.146 4.024 4.170 -0.000 0.000 0.235 314 I C -0.254 175.963 176.117 0.166 0.000 1.058 314 I CA 1.500 62.890 61.300 0.150 0.000 1.320 314 I CB -1.324 36.783 38.000 0.178 0.000 1.047 314 I HN 0.218 nan 8.210 nan 0.000 0.397 315 P HA -0.142 nan 4.420 nan 0.000 0.216 315 P C 1.531 178.820 177.300 -0.019 0.000 1.150 315 P CA 1.752 64.837 63.100 -0.025 0.000 0.837 315 P CB -0.315 31.150 31.700 -0.392 0.000 0.786 316 T N -0.472 114.093 114.554 0.018 0.000 2.821 316 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 316 T C 2.161 176.813 174.700 -0.079 0.000 1.046 316 T CA 1.667 63.778 62.100 0.018 0.000 1.139 316 T CB -1.094 67.903 68.868 0.216 0.000 0.871 316 T HN 0.209 nan 8.240 nan 0.000 0.454 317 G N 1.142 109.926 108.800 -0.027 0.000 2.418 317 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 317 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 317 G C 1.681 176.507 174.900 -0.122 0.000 1.158 317 G CA 0.681 45.709 45.100 -0.120 0.000 0.771 317 G HN 0.430 nan 8.290 nan 0.000 0.545 318 V N 0.786 120.728 119.914 0.046 0.000 2.392 318 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 318 V C 2.804 178.808 176.094 -0.149 0.000 1.059 318 V CA 2.191 64.541 62.300 0.084 0.000 1.051 318 V CB -0.355 31.596 31.823 0.215 0.000 0.658 318 V HN 0.387 nan 8.190 nan 0.000 0.455 319 K N -0.476 119.690 120.400 -0.389 0.000 2.057 319 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 319 K C 2.117 178.028 176.600 -1.148 0.000 1.050 319 K CA 1.258 57.002 56.287 -0.905 0.000 0.935 319 K CB -0.413 31.383 32.500 -1.174 0.000 0.715 319 K HN 0.328 nan 8.250 nan 0.000 0.439 320 V N 1.156 120.649 119.914 -0.703 0.000 2.261 320 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 320 V C 2.023 177.980 176.094 -0.228 0.000 1.047 320 V CA 1.831 63.928 62.300 -0.338 0.000 1.015 320 V CB -0.533 31.064 31.823 -0.377 0.000 0.642 320 V HN 0.214 nan 8.190 nan 0.000 0.446 321 F N 0.007 119.922 119.950 -0.058 0.000 2.293 321 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 321 F C 2.582 178.309 175.800 -0.121 0.000 1.086 321 F CA 1.115 59.080 58.000 -0.058 0.000 1.375 321 F CB -0.333 38.630 39.000 -0.061 0.000 1.045 321 F HN 0.069 nan 8.300 nan 0.000 0.516 322 S N -0.984 114.701 115.700 -0.026 0.000 2.406 322 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 322 S C 1.665 176.313 174.600 0.080 0.000 1.020 322 S CA 0.596 58.803 58.200 0.012 0.000 0.965 322 S CB -0.281 62.939 63.200 0.033 0.000 0.798 322 S HN 0.399 nan 8.310 nan 0.000 0.488 323 W N 1.936 123.283 121.300 0.077 0.000 2.388 323 W HA 0.126 4.786 4.660 -0.000 0.000 0.294 323 W C 1.850 178.408 176.519 0.064 0.000 1.212 323 W CA 0.206 57.595 57.345 0.074 0.000 1.271 323 W CB -1.146 28.353 29.460 0.066 0.000 1.126 323 W HN 0.305 nan 8.180 nan 0.000 0.535 324 L N 0.007 121.393 121.223 0.273 0.000 2.056 324 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 324 L C 2.569 179.483 176.870 0.074 0.000 1.078 324 L CA 1.403 56.349 54.840 0.177 0.000 0.749 324 L CB -1.354 40.818 42.059 0.187 0.000 0.901 324 L HN -0.161 nan 8.230 nan 0.000 0.433 325 A N -0.627 122.156 122.820 -0.061 0.000 2.121 325 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 325 A C 2.268 179.849 177.584 -0.004 0.000 1.154 325 A CA 1.870 53.741 52.037 -0.277 0.000 0.679 325 A CB -0.631 17.722 19.000 -1.078 0.000 0.795 325 A HN 0.381 nan 8.150 nan 0.000 0.458 326 T N 0.011 114.650 114.554 0.142 0.000 2.978 326 T HA 0.071 4.421 4.350 -0.000 0.000 0.262 326 T C 1.716 176.502 174.700 0.142 0.000 1.063 326 T CA 0.911 63.138 62.100 0.212 0.000 1.140 326 T CB -0.213 68.813 68.868 0.264 0.000 0.886 326 T HN 0.383 nan 8.240 nan 0.000 0.470 327 L N 0.179 121.478 121.223 0.125 0.000 2.109 327 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 327 L C 1.285 178.205 176.870 0.085 0.000 1.086 327 L CA 0.478 55.361 54.840 0.071 0.000 0.760 327 L CB -0.632 41.465 42.059 0.064 0.000 0.910 327 L HN 0.311 nan 8.230 nan 0.000 0.437 328 H N 0.800 119.874 119.070 0.005 0.000 3.187 328 H HA 0.139 4.695 4.556 -0.000 0.000 0.286 328 H C 1.125 176.459 175.328 0.010 0.000 0.944 328 H CA 0.394 56.441 56.048 -0.003 0.000 1.429 328 H CB 0.110 29.853 29.762 -0.031 0.000 1.483 328 H HN 0.325 nan 8.280 nan 0.000 0.555 329 G N 3.016 111.609 108.800 -0.344 0.000 2.162 329 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 329 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 329 G C 0.687 175.509 174.900 -0.131 0.000 0.976 329 G CA 0.363 45.278 45.100 -0.308 0.000 0.655 329 G HN 1.027 nan 8.290 nan 0.000 0.533 330 G N -0.559 108.194 108.800 -0.079 0.000 2.537 330 G HA2 0.442 4.402 3.960 -0.000 0.000 0.273 330 G HA3 0.442 4.402 3.960 -0.000 0.000 0.273 330 G C 0.047 174.907 174.900 -0.066 0.000 1.189 330 G CA 0.083 45.145 45.100 -0.063 0.000 0.881 330 G HN 0.510 nan 8.290 nan 0.000 0.535 331 N N 1.070 119.729 118.700 -0.069 0.000 2.719 331 N HA 0.055 4.795 4.740 -0.000 0.000 0.243 331 N C 0.362 175.828 175.510 -0.074 0.000 1.104 331 N CA -0.682 52.334 53.050 -0.056 0.000 0.981 331 N CB -0.092 38.362 38.487 -0.056 0.000 1.290 331 N HN 0.157 nan 8.380 nan 0.000 0.513 332 I N 1.581 122.092 120.570 -0.097 0.000 2.664 332 I HA -0.051 4.119 4.170 -0.000 0.000 0.284 332 I C 0.838 176.845 176.117 -0.183 0.000 1.154 332 I CA 0.139 61.308 61.300 -0.218 0.000 1.402 332 I CB -0.518 37.236 38.000 -0.410 0.000 1.395 332 I HN 0.364 nan 8.210 nan 0.000 0.545 333 K N 7.246 127.567 120.400 -0.132 0.000 2.292 333 K HA 0.190 4.510 4.320 -0.000 0.000 0.270 333 K C -0.754 175.794 176.600 -0.086 0.000 1.062 333 K CA -0.280 56.014 56.287 0.010 0.000 0.916 333 K CB 0.141 32.749 32.500 0.180 0.000 1.166 333 K HN 0.355 nan 8.250 nan 0.000 0.458 334 W N 4.589 125.857 121.300 -0.053 0.000 1.435 334 W HA 0.079 4.739 4.660 -0.000 0.000 0.471 334 W C 0.362 176.769 176.519 -0.186 0.000 0.590 334 W CA -0.422 56.847 57.345 -0.126 0.000 2.419 334 W CB -0.593 28.803 29.460 -0.106 0.000 1.251 334 W HN 0.520 nan 8.180 nan 0.000 0.338 335 S N -0.413 115.197 115.700 -0.150 0.000 2.624 335 S HA 0.268 4.738 4.470 -0.000 0.000 0.263 335 S C -1.457 172.972 174.600 -0.286 0.000 1.287 335 S CA -1.090 56.964 58.200 -0.243 0.000 0.990 335 S CB 1.401 64.278 63.200 -0.538 0.000 0.950 335 S HN -0.039 nan 8.310 nan 0.000 0.561 336 P HA -0.007 nan 4.420 nan 0.000 0.217 336 P C 1.550 178.777 177.300 -0.121 0.000 1.150 336 P CA 1.792 64.807 63.100 -0.141 0.000 0.832 336 P CB -0.253 31.488 31.700 0.069 0.000 0.787 337 A N -0.796 121.933 122.820 -0.152 0.000 1.902 337 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 337 A C 2.217 179.660 177.584 -0.235 0.000 1.181 337 A CA 2.066 54.047 52.037 -0.093 0.000 0.623 337 A CB -1.428 17.477 19.000 -0.158 0.000 0.818 337 A HN 0.119 nan 8.150 nan 0.000 0.443 338 M N -0.557 118.714 119.600 -0.549 0.000 2.159 338 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 338 M C 2.024 178.140 176.300 -0.307 0.000 1.063 338 M CA 1.742 56.803 55.300 -0.398 0.000 1.110 338 M CB -0.612 31.697 32.600 -0.484 0.000 1.374 338 M HN 0.410 nan 8.290 nan 0.000 0.411 339 M N -1.818 117.511 119.600 -0.452 0.000 2.117 339 M HA -0.222 4.258 4.480 -0.000 0.000 0.262 339 M C 1.889 177.723 176.300 -0.777 0.000 1.065 339 M CA 1.920 56.753 55.300 -0.778 0.000 1.114 339 M CB -0.602 31.182 32.600 -1.360 0.000 1.361 339 M HN 0.395 nan 8.290 nan 0.000 0.408 340 W N -0.019 121.001 121.300 -0.467 0.000 2.363 340 W HA -0.120 4.540 4.660 -0.000 0.000 0.296 340 W C 2.673 179.308 176.519 0.193 0.000 1.212 340 W CA 1.065 58.369 57.345 -0.068 0.000 1.260 340 W CB -0.387 29.050 29.460 -0.039 0.000 1.131 340 W HN 0.216 nan 8.180 nan 0.000 0.530 341 A N -0.008 122.959 122.820 0.245 0.000 1.930 341 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 341 A C 1.912 179.636 177.584 0.233 0.000 1.175 341 A CA 1.280 53.412 52.037 0.159 0.000 0.627 341 A CB -0.915 18.060 19.000 -0.042 0.000 0.815 341 A HN 0.287 nan 8.150 nan 0.000 0.443 342 L N -0.817 120.506 121.223 0.167 0.000 2.109 342 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 342 L C 2.813 179.931 176.870 0.413 0.000 1.086 342 L CA 0.966 55.932 54.840 0.211 0.000 0.760 342 L CB -0.755 41.358 42.059 0.090 0.000 0.910 342 L HN 0.474 nan 8.230 nan 0.000 0.437 343 G N -0.234 108.909 108.800 0.572 0.000 2.422 343 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 343 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 343 G C 1.483 176.816 174.900 0.722 0.000 1.146 343 G CA 0.527 46.158 45.100 0.885 0.000 0.769 343 G HN 0.276 nan 8.290 nan 0.000 0.547 344 F N 1.625 121.943 119.950 0.613 0.000 2.046 344 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 344 F C 2.527 178.505 175.800 0.296 0.000 1.123 344 F CA 1.499 59.719 58.000 0.367 0.000 1.199 344 F CB -0.316 38.848 39.000 0.273 0.000 0.972 344 F HN 0.108 nan 8.300 nan 0.000 0.474 345 I N -0.715 120.194 120.570 0.565 0.000 2.151 345 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 345 I C 2.374 178.729 176.117 0.397 0.000 1.080 345 I CA 1.842 63.437 61.300 0.492 0.000 1.339 345 I CB -0.709 37.548 38.000 0.430 0.000 1.039 345 I HN 0.249 nan 8.210 nan 0.000 0.409 346 F N 1.452 121.548 119.950 0.243 0.000 2.098 346 F HA -0.092 4.435 4.527 -0.000 0.000 0.294 346 F C 2.202 178.082 175.800 0.133 0.000 1.107 346 F CA 1.496 59.613 58.000 0.194 0.000 1.234 346 F CB -0.372 38.762 39.000 0.223 0.000 1.002 346 F HN -0.155 nan 8.300 nan 0.000 0.472 347 L N -1.024 120.154 121.223 -0.075 0.000 2.093 347 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 347 L C 2.443 179.177 176.870 -0.227 0.000 1.085 347 L CA 1.396 56.098 54.840 -0.230 0.000 0.755 347 L CB -0.940 40.953 42.059 -0.278 0.000 0.904 347 L HN 0.223 nan 8.230 nan 0.000 0.435 348 F N 0.875 120.587 119.950 -0.396 0.000 2.134 348 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 348 F C 2.446 178.142 175.800 -0.173 0.000 1.097 348 F CA 1.873 59.640 58.000 -0.389 0.000 1.264 348 F CB -0.311 38.270 39.000 -0.698 0.000 1.001 348 F HN -0.089 nan 8.300 nan 0.000 0.479 349 T N 0.226 114.700 114.554 -0.133 0.000 2.720 349 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 349 T C 2.140 176.661 174.700 -0.300 0.000 1.037 349 T CA 1.636 63.643 62.100 -0.156 0.000 1.144 349 T CB -0.630 68.238 68.868 -0.001 0.000 0.864 349 T HN 0.141 nan 8.240 nan 0.000 0.444 350 V N 1.294 120.975 119.914 -0.388 0.000 2.261 350 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 350 V C 2.869 178.743 176.094 -0.367 0.000 1.047 350 V CA 2.097 64.154 62.300 -0.405 0.000 1.015 350 V CB -1.308 30.211 31.823 -0.506 0.000 0.642 350 V HN 0.598 nan 8.190 nan 0.000 0.446 351 G N -0.347 108.247 108.800 -0.344 0.000 2.432 351 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 351 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 351 G C 1.591 176.352 174.900 -0.231 0.000 1.135 351 G CA 0.903 45.836 45.100 -0.279 0.000 0.767 351 G HN 0.597 nan 8.290 nan 0.000 0.550 352 G N 0.812 109.334 108.800 -0.463 0.000 2.408 352 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 352 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 352 G C 1.776 176.589 174.900 -0.145 0.000 1.150 352 G CA 0.583 45.477 45.100 -0.344 0.000 0.776 352 G HN 0.421 nan 8.290 nan 0.000 0.542 353 L N 1.188 122.317 121.223 -0.158 0.000 2.093 353 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 353 L C 3.290 180.114 176.870 -0.076 0.000 1.085 353 L CA 1.639 56.421 54.840 -0.097 0.000 0.755 353 L CB -0.662 41.339 42.059 -0.096 0.000 0.904 353 L HN 0.399 nan 8.230 nan 0.000 0.435 354 T N -3.627 110.874 114.554 -0.088 0.000 2.995 354 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 354 T C 1.903 176.552 174.700 -0.084 0.000 1.091 354 T CA 0.840 62.920 62.100 -0.032 0.000 1.128 354 T CB -0.604 68.182 68.868 -0.138 0.000 0.891 354 T HN 0.374 nan 8.240 nan 0.000 0.492 355 G N 1.663 110.363 108.800 -0.167 0.000 2.408 355 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.217 355 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.217 355 G C 1.463 176.210 174.900 -0.256 0.000 1.150 355 G CA 0.437 45.240 45.100 -0.494 0.000 0.776 355 G HN 0.463 nan 8.290 nan 0.000 0.542 356 I N 0.951 121.448 120.570 -0.123 0.000 2.493 356 I HA -0.069 4.101 4.170 -0.000 0.000 0.254 356 I C 2.801 178.875 176.117 -0.071 0.000 1.160 356 I CA 0.618 61.870 61.300 -0.079 0.000 1.445 356 I CB -0.596 37.381 38.000 -0.039 0.000 1.086 356 I HN 0.030 nan 8.210 nan 0.000 0.433 357 V N 0.987 120.869 119.914 -0.053 0.000 2.307 357 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 357 V C 2.497 178.546 176.094 -0.076 0.000 1.045 357 V CA 1.359 63.634 62.300 -0.042 0.000 1.024 357 V CB -0.454 31.383 31.823 0.024 0.000 0.651 357 V HN 0.307 nan 8.190 nan 0.000 0.449 358 L N 0.243 121.416 121.223 -0.084 0.000 2.265 358 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 358 L C 2.594 179.425 176.870 -0.065 0.000 1.117 358 L CA 1.172 55.952 54.840 -0.101 0.000 0.782 358 L CB -0.700 41.252 42.059 -0.178 0.000 0.914 358 L HN 0.350 nan 8.230 nan 0.000 0.441 359 A N -0.467 122.299 122.820 -0.090 0.000 2.019 359 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 359 A C 0.994 178.620 177.584 0.070 0.000 1.164 359 A CA 0.823 52.863 52.037 0.004 0.000 0.644 359 A CB -0.530 18.442 19.000 -0.046 0.000 0.805 359 A HN 0.428 nan 8.150 nan 0.000 0.449 360 N N 1.374 120.046 118.700 -0.046 0.000 2.402 360 N HA 0.082 4.822 4.740 -0.000 0.000 0.259 360 N C 1.151 176.503 175.510 -0.264 0.000 1.167 360 N CA 0.673 53.639 53.050 -0.139 0.000 0.949 360 N CB 1.044 39.461 38.487 -0.117 0.000 1.212 360 N HN 0.528 nan 8.380 nan 0.000 0.493 361 S N 1.385 116.713 115.700 -0.622 0.000 2.402 361 S HA -0.202 4.268 4.470 -0.000 0.000 0.233 361 S C 1.888 176.223 174.600 -0.441 0.000 1.030 361 S CA 1.112 58.702 58.200 -1.016 0.000 1.003 361 S CB -0.122 62.116 63.200 -1.604 0.000 0.813 361 S HN 0.425 nan 8.310 nan 0.000 0.477 362 S N 2.146 117.665 115.700 -0.303 0.000 2.351 362 S HA 0.042 4.512 4.470 -0.000 0.000 0.220 362 S C 1.827 176.343 174.600 -0.139 0.000 1.035 362 S CA 1.526 59.617 58.200 -0.182 0.000 1.031 362 S CB -0.608 62.507 63.200 -0.142 0.000 0.928 362 S HN 0.449 nan 8.310 nan 0.000 0.433 363 L N 0.956 122.096 121.223 -0.139 0.000 2.156 363 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 363 L C 2.243 179.049 176.870 -0.107 0.000 1.095 363 L CA 1.189 55.955 54.840 -0.125 0.000 0.770 363 L CB -0.452 41.521 42.059 -0.144 0.000 0.914 363 L HN 0.286 nan 8.230 nan 0.000 0.439 364 D N 0.081 120.429 120.400 -0.086 0.000 2.218 364 D HA -0.204 4.436 4.640 -0.000 0.000 0.204 364 D C 2.114 178.441 176.300 0.045 0.000 0.976 364 D CA 0.803 54.808 54.000 0.007 0.000 0.853 364 D CB 0.198 41.085 40.800 0.144 0.000 0.939 364 D HN 0.097 nan 8.370 nan 0.000 0.481 365 I N 0.219 120.783 120.570 -0.010 0.000 2.194 365 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 365 I C 2.263 178.405 176.117 0.042 0.000 1.093 365 I CA 0.881 62.191 61.300 0.017 0.000 1.355 365 I CB -1.147 36.841 38.000 -0.020 0.000 1.046 365 I HN 0.070 nan 8.210 nan 0.000 0.413 366 V N 0.328 120.242 119.914 0.001 0.000 2.788 366 V HA -0.082 4.038 4.120 -0.000 0.000 0.251 366 V C 2.340 178.428 176.094 -0.010 0.000 1.068 366 V CA 0.848 63.145 62.300 -0.004 0.000 1.090 366 V CB -0.296 31.507 31.823 -0.034 0.000 0.710 366 V HN 0.298 nan 8.190 nan 0.000 0.467 367 L N -1.054 120.151 121.223 -0.030 0.000 2.375 367 L HA 0.153 4.493 4.340 -0.000 0.000 0.215 367 L C 1.332 178.225 176.870 0.039 0.000 1.108 367 L CA 0.098 54.911 54.840 -0.044 0.000 0.830 367 L CB -0.454 41.506 42.059 -0.165 0.000 0.959 367 L HN 0.373 nan 8.230 nan 0.000 0.457 368 H N 1.214 120.285 119.070 0.001 0.000 2.972 368 H HA -0.105 4.451 4.556 -0.000 0.000 0.343 368 H C 0.447 175.793 175.328 0.030 0.000 1.054 368 H CA 0.574 56.638 56.048 0.026 0.000 1.412 368 H CB 0.173 29.960 29.762 0.041 0.000 1.385 368 H HN 0.115 nan 8.280 nan 0.000 0.600 369 D N 2.095 122.050 120.400 -0.742 0.000 2.837 369 D HA -0.203 4.437 4.640 -0.000 0.000 0.230 369 D C -0.390 175.783 176.300 -0.210 0.000 1.152 369 D CA 1.443 55.158 54.000 -0.476 0.000 0.736 369 D CB -0.873 39.675 40.800 -0.419 0.000 1.084 369 D HN 0.756 nan 8.370 nan 0.000 0.429 370 T N -4.255 110.218 114.554 -0.135 0.000 2.910 370 T HA 0.434 4.784 4.350 -0.000 0.000 0.287 370 T C 0.965 175.637 174.700 -0.046 0.000 1.050 370 T CA -0.753 61.314 62.100 -0.055 0.000 1.011 370 T CB 0.906 69.775 68.868 0.002 0.000 1.195 370 T HN -0.038 nan 8.240 nan 0.000 0.540 371 Y N -0.544 119.691 120.300 -0.108 0.000 2.680 371 Y HA 0.049 4.599 4.550 -0.000 0.000 0.303 371 Y C 1.857 177.681 175.900 -0.127 0.000 1.166 371 Y CA 0.533 58.558 58.100 -0.125 0.000 1.344 371 Y CB -0.367 37.996 38.460 -0.160 0.000 1.002 371 Y HN 0.813 nan 8.280 nan 0.000 0.537 372 Y N -1.113 119.138 120.300 -0.081 0.000 2.314 372 Y HA -0.194 4.356 4.550 -0.000 0.000 0.293 372 Y C 2.076 177.890 175.900 -0.143 0.000 1.129 372 Y CA 1.176 59.205 58.100 -0.119 0.000 1.201 372 Y CB -0.157 38.264 38.460 -0.064 0.000 0.999 372 Y HN -0.094 nan 8.280 nan 0.000 0.541 373 V N -1.286 118.654 119.914 0.043 0.000 2.379 373 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 373 V C 2.208 178.171 176.094 -0.218 0.000 1.044 373 V CA 1.593 63.923 62.300 0.051 0.000 1.036 373 V CB -0.675 31.221 31.823 0.122 0.000 0.664 373 V HN 0.272 nan 8.190 nan 0.000 0.453 374 V N 0.521 120.139 119.914 -0.492 0.000 2.407 374 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 374 V C 2.683 178.312 176.094 -0.775 0.000 1.055 374 V CA 1.954 63.647 62.300 -1.010 0.000 1.049 374 V CB -1.125 30.237 31.823 -0.768 0.000 0.662 374 V HN 0.551 nan 8.190 nan 0.000 0.455 375 A N 0.018 122.527 122.820 -0.519 0.000 1.873 375 A HA -0.267 4.053 4.320 -0.000 0.000 0.215 375 A C 2.129 179.436 177.584 -0.461 0.000 1.186 375 A CA 2.136 53.847 52.037 -0.543 0.000 0.616 375 A CB -0.839 17.515 19.000 -1.077 0.000 0.823 375 A HN 0.772 nan 8.150 nan 0.000 0.442 376 H N 0.163 118.917 119.070 -0.527 0.000 2.290 376 H HA -0.222 4.334 4.556 -0.000 0.000 0.298 376 H C 1.694 176.902 175.328 -0.200 0.000 1.087 376 H CA 2.472 58.323 56.048 -0.328 0.000 1.291 376 H CB -0.775 28.863 29.762 -0.207 0.000 1.369 376 H HN 0.597 nan 8.280 nan 0.000 0.492 377 F N -1.421 118.199 119.950 -0.550 0.000 2.502 377 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 377 F C 1.763 177.161 175.800 -0.671 0.000 1.111 377 F CA 0.815 58.388 58.000 -0.713 0.000 1.445 377 F CB -0.577 38.137 39.000 -0.477 0.000 1.081 377 F HN 0.184 nan 8.300 nan 0.000 0.558 378 H N -1.689 117.020 119.070 -0.602 0.000 2.482 378 H HA 0.019 4.575 4.556 -0.000 0.000 0.286 378 H C 1.384 176.286 175.328 -0.711 0.000 1.017 378 H CA 1.542 57.084 56.048 -0.843 0.000 1.322 378 H CB -0.189 28.465 29.762 -1.847 0.000 1.426 378 H HN 0.255 nan 8.280 nan 0.000 0.546 379 Y N 0.015 120.005 120.300 -0.517 0.000 2.220 379 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 379 Y C 2.479 178.148 175.900 -0.385 0.000 1.129 379 Y CA 1.339 59.198 58.100 -0.403 0.000 1.161 379 Y CB -0.165 38.089 38.460 -0.344 0.000 0.997 379 Y HN 0.139 nan 8.280 nan 0.000 0.522 380 V N -2.804 116.952 119.914 -0.264 0.000 2.871 380 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 380 V C 1.656 177.675 176.094 -0.126 0.000 1.082 380 V CA 1.319 63.501 62.300 -0.197 0.000 1.105 380 V CB -0.610 31.050 31.823 -0.272 0.000 0.713 380 V HN 0.332 nan 8.190 nan 0.000 0.473 381 L N -0.244 120.850 121.223 -0.215 0.000 2.347 381 L HA 0.199 4.539 4.340 -0.000 0.000 0.196 381 L C 2.599 179.395 176.870 -0.123 0.000 1.072 381 L CA 1.227 55.959 54.840 -0.181 0.000 0.817 381 L CB -0.358 41.539 42.059 -0.270 0.000 1.029 381 L HN 0.250 nan 8.230 nan 0.000 0.478 382 S N -0.943 114.653 115.700 -0.174 0.000 2.562 382 S HA 0.109 4.579 4.470 -0.000 0.000 0.221 382 S C 1.603 176.177 174.600 -0.043 0.000 0.975 382 S CA 0.705 58.878 58.200 -0.045 0.000 0.918 382 S CB 0.127 63.322 63.200 -0.008 0.000 0.772 382 S HN 0.226 nan 8.310 nan 0.000 0.531 383 M N -1.154 118.300 119.600 -0.244 0.000 2.971 383 M HA 0.279 4.759 4.480 -0.000 0.000 0.238 383 M C 2.250 178.294 176.300 -0.427 0.000 1.582 383 M CA 0.682 55.635 55.300 -0.579 0.000 1.223 383 M CB -0.593 31.533 32.600 -0.790 0.000 1.238 383 M HN 0.289 nan 8.290 nan 0.000 0.568 384 G N 0.678 109.334 108.800 -0.240 0.000 2.575 384 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.215 384 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.215 384 G C 1.551 176.661 174.900 0.350 0.000 1.262 384 G CA 1.147 46.178 45.100 -0.114 0.000 0.807 384 G HN 0.456 nan 8.290 nan 0.000 0.567 385 A N -0.322 122.627 122.820 0.215 0.000 1.908 385 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 385 A C 2.623 180.334 177.584 0.211 0.000 1.181 385 A CA 2.147 54.297 52.037 0.187 0.000 0.627 385 A CB -0.818 18.200 19.000 0.030 0.000 0.818 385 A HN 0.314 nan 8.150 nan 0.000 0.445 386 V N -1.324 118.717 119.914 0.212 0.000 2.358 386 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 386 V C 2.303 178.589 176.094 0.321 0.000 1.047 386 V CA 1.946 64.385 62.300 0.233 0.000 1.035 386 V CB -0.857 31.112 31.823 0.244 0.000 0.658 386 V HN 0.635 nan 8.190 nan 0.000 0.452 387 F N 0.207 120.291 119.950 0.224 0.000 2.134 387 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 387 F C 2.467 178.397 175.800 0.216 0.000 1.097 387 F CA 0.922 59.136 58.000 0.358 0.000 1.264 387 F CB -0.329 39.066 39.000 0.659 0.000 1.001 387 F HN 0.153 nan 8.300 nan 0.000 0.479 388 A N 0.427 123.503 122.820 0.427 0.000 1.930 388 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 388 A C 2.107 179.694 177.584 0.005 0.000 1.175 388 A CA 1.322 53.413 52.037 0.090 0.000 0.627 388 A CB -0.947 18.017 19.000 -0.059 0.000 0.815 388 A HN 0.398 nan 8.150 nan 0.000 0.443 389 I N -0.824 119.786 120.570 0.068 0.000 2.226 389 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 389 I C 2.562 178.721 176.117 0.070 0.000 1.100 389 I CA 1.149 62.519 61.300 0.118 0.000 1.374 389 I CB -0.270 37.834 38.000 0.174 0.000 1.057 389 I HN 0.260 nan 8.210 nan 0.000 0.413 390 M N 0.298 119.765 119.600 -0.220 0.000 2.117 390 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 390 M C 2.410 178.427 176.300 -0.471 0.000 1.065 390 M CA 1.820 56.768 55.300 -0.587 0.000 1.114 390 M CB -2.043 29.497 32.600 -1.768 0.000 1.361 390 M HN 0.281 nan 8.290 nan 0.000 0.408 391 G N -0.315 108.268 108.800 -0.362 0.000 2.421 391 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 391 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 391 G C 1.600 176.511 174.900 0.017 0.000 1.171 391 G CA 1.091 46.167 45.100 -0.040 0.000 0.775 391 G HN 0.556 nan 8.290 nan 0.000 0.543 392 G N 0.126 108.923 108.800 -0.005 0.000 2.408 392 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 392 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 392 G C 1.612 176.770 174.900 0.430 0.000 1.150 392 G CA 0.855 45.998 45.100 0.073 0.000 0.776 392 G HN 0.352 nan 8.290 nan 0.000 0.542 393 F N 1.885 122.074 119.950 0.399 0.000 2.102 393 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 393 F C 2.760 178.715 175.800 0.259 0.000 1.105 393 F CA 1.968 60.256 58.000 0.479 0.000 1.239 393 F CB -0.364 38.822 39.000 0.310 0.000 0.991 393 F HN 0.068 nan 8.300 nan 0.000 0.474 394 V N -1.443 118.585 119.914 0.190 0.000 2.427 394 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 394 V C 2.404 178.526 176.094 0.047 0.000 1.051 394 V CA 2.343 64.688 62.300 0.075 0.000 1.048 394 V CB -1.430 30.512 31.823 0.199 0.000 0.666 394 V HN 0.517 nan 8.190 nan 0.000 0.456 395 H N -0.774 118.257 119.070 -0.065 0.000 2.321 395 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 395 H C 1.832 177.033 175.328 -0.212 0.000 1.087 395 H CA 2.462 58.394 56.048 -0.194 0.000 1.319 395 H CB -0.216 29.265 29.762 -0.468 0.000 1.379 395 H HN 0.562 nan 8.280 nan 0.000 0.501 396 W N -0.480 120.621 121.300 -0.331 0.000 3.211 396 W HA 0.047 4.707 4.660 -0.000 0.000 0.292 396 W C 1.569 177.364 176.519 -1.207 0.000 1.268 396 W CA -0.266 56.543 57.345 -0.895 0.000 1.702 396 W CB -0.773 28.041 29.460 -1.075 0.000 1.092 396 W HN 0.212 nan 8.180 nan 0.000 0.643 397 F N 2.793 122.299 119.950 -0.740 0.000 2.091 397 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 397 F C -0.729 174.788 175.800 -0.471 0.000 1.103 397 F CA 1.983 59.544 58.000 -0.733 0.000 1.228 397 F CB -1.375 37.179 39.000 -0.743 0.000 0.984 397 F HN -0.247 nan 8.300 nan 0.000 0.477 398 P HA -0.177 nan 4.420 nan 0.000 0.218 398 P C 1.768 178.901 177.300 -0.279 0.000 1.149 398 P CA 1.231 64.194 63.100 -0.229 0.000 0.817 398 P CB -0.106 31.625 31.700 0.051 0.000 0.785 399 L N -1.555 119.421 121.223 -0.412 0.000 2.027 399 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 399 L C 1.989 178.582 176.870 -0.462 0.000 1.074 399 L CA 2.025 56.538 54.840 -0.544 0.000 0.745 399 L CB -1.319 40.039 42.059 -1.168 0.000 0.898 399 L HN -0.161 nan 8.230 nan 0.000 0.433 400 F N -0.374 119.088 119.950 -0.814 0.000 2.186 400 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 400 F C 2.820 178.307 175.800 -0.521 0.000 1.090 400 F CA 1.040 58.427 58.000 -1.022 0.000 1.307 400 F CB -1.666 36.682 39.000 -1.086 0.000 1.019 400 F HN 0.390 nan 8.300 nan 0.000 0.489 401 S N -1.452 113.963 115.700 -0.474 0.000 2.475 401 S HA 0.401 4.871 4.470 -0.000 0.000 0.224 401 S C 1.867 176.165 174.600 -0.504 0.000 1.042 401 S CA 0.588 58.524 58.200 -0.440 0.000 0.935 401 S CB 0.263 62.943 63.200 -0.868 0.000 0.801 401 S HN 0.524 nan 8.310 nan 0.000 0.509 402 G N -0.078 108.434 108.800 -0.479 0.000 2.175 402 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 402 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 402 G C -0.236 174.392 174.900 -0.453 0.000 0.982 402 G CA 0.293 45.134 45.100 -0.432 0.000 0.641 402 G HN 0.527 nan 8.290 nan 0.000 0.527 403 Y N 0.832 121.002 120.300 -0.218 0.000 2.549 403 Y HA 0.713 5.263 4.550 -0.000 0.000 0.339 403 Y C 0.887 176.752 175.900 -0.059 0.000 1.053 403 Y CA -0.592 57.427 58.100 -0.135 0.000 1.105 403 Y CB 1.600 39.960 38.460 -0.167 0.000 1.258 403 Y HN 0.305 nan 8.280 nan 0.000 0.478 404 T N -0.367 114.308 114.554 0.201 0.000 2.943 404 T HA 0.770 5.120 4.350 -0.000 0.000 0.284 404 T C -0.398 174.384 174.700 0.137 0.000 1.015 404 T CA -0.865 61.330 62.100 0.158 0.000 1.042 404 T CB 0.872 69.794 68.868 0.091 0.000 1.055 404 T HN 0.480 nan 8.240 nan 0.000 0.500 405 L N 1.714 122.997 121.223 0.099 0.000 2.431 405 L HA 0.444 4.784 4.340 -0.000 0.000 0.260 405 L C 0.969 177.865 176.870 0.043 0.000 1.098 405 L CA -1.192 53.643 54.840 -0.009 0.000 0.800 405 L CB 0.538 42.557 42.059 -0.065 0.000 1.210 405 L HN 0.709 nan 8.230 nan 0.000 0.465 406 N N 0.648 119.393 118.700 0.074 0.000 2.415 406 N HA -0.010 4.730 4.740 -0.000 0.000 0.246 406 N C 0.111 175.722 175.510 0.168 0.000 1.078 406 N CA -0.046 53.097 53.050 0.154 0.000 0.942 406 N CB 1.141 39.823 38.487 0.324 0.000 1.140 406 N HN 0.524 nan 8.380 nan 0.000 0.501 407 D N 2.237 122.702 120.400 0.109 0.000 2.158 407 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 407 D C 1.179 177.540 176.300 0.102 0.000 0.995 407 D CA 1.651 55.707 54.000 0.095 0.000 0.846 407 D CB 0.249 41.082 40.800 0.056 0.000 0.941 407 D HN 0.572 nan 8.370 nan 0.000 0.456 408 T N -1.008 113.587 114.554 0.069 0.000 2.737 408 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 408 T C 1.733 176.489 174.700 0.094 0.000 1.038 408 T CA 1.008 63.112 62.100 0.007 0.000 1.144 408 T CB -0.586 68.211 68.868 -0.118 0.000 0.866 408 T HN 0.345 nan 8.240 nan 0.000 0.434 409 W N 1.385 122.750 121.300 0.108 0.000 2.338 409 W HA -0.059 4.601 4.660 -0.000 0.000 0.304 409 W C 2.877 179.509 176.519 0.188 0.000 1.212 409 W CA 0.562 58.004 57.345 0.161 0.000 1.264 409 W CB -0.328 29.243 29.460 0.185 0.000 1.142 409 W HN 0.221 nan 8.180 nan 0.000 0.512 410 A N 0.314 123.378 122.820 0.407 0.000 1.972 410 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 410 A C 1.824 179.614 177.584 0.343 0.000 1.169 410 A CA 1.750 54.012 52.037 0.374 0.000 0.635 410 A CB -0.559 18.609 19.000 0.281 0.000 0.810 410 A HN 0.312 nan 8.150 nan 0.000 0.446 411 K N -0.555 119.974 120.400 0.216 0.000 2.103 411 K HA 0.045 4.365 4.320 -0.000 0.000 0.204 411 K C 1.720 178.427 176.600 0.178 0.000 1.052 411 K CA 1.232 57.597 56.287 0.130 0.000 0.945 411 K CB -0.283 32.244 32.500 0.045 0.000 0.722 411 K HN 0.511 nan 8.250 nan 0.000 0.443 412 I N 0.720 121.420 120.570 0.218 0.000 2.226 412 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 412 I C 2.698 178.970 176.117 0.258 0.000 1.100 412 I CA 1.269 62.699 61.300 0.217 0.000 1.374 412 I CB -0.418 37.748 38.000 0.278 0.000 1.057 412 I HN 0.340 nan 8.210 nan 0.000 0.413 413 H N 0.795 120.032 119.070 0.278 0.000 2.319 413 H HA -0.286 4.270 4.556 -0.000 0.000 0.299 413 H C 2.279 177.732 175.328 0.208 0.000 1.092 413 H CA 2.262 58.477 56.048 0.280 0.000 1.302 413 H CB -0.212 29.763 29.762 0.356 0.000 1.373 413 H HN 0.341 nan 8.280 nan 0.000 0.497 414 F N 1.529 121.353 119.950 -0.211 0.000 2.102 414 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 414 F C 2.655 178.199 175.800 -0.426 0.000 1.105 414 F CA 1.769 59.330 58.000 -0.732 0.000 1.239 414 F CB -0.824 37.609 39.000 -0.945 0.000 0.991 414 F HN 0.232 nan 8.300 nan 0.000 0.474 415 A N 0.986 123.627 122.820 -0.299 0.000 1.883 415 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 415 A C 2.314 179.790 177.584 -0.181 0.000 1.186 415 A CA 2.169 54.041 52.037 -0.275 0.000 0.624 415 A CB -1.314 17.649 19.000 -0.062 0.000 0.822 415 A HN 0.522 nan 8.150 nan 0.000 0.444 416 I N -1.537 118.979 120.570 -0.090 0.000 2.179 416 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 416 I C 2.661 178.749 176.117 -0.048 0.000 1.088 416 I CA 1.999 63.286 61.300 -0.021 0.000 1.357 416 I CB -0.307 37.724 38.000 0.053 0.000 1.051 416 I HN 0.397 nan 8.210 nan 0.000 0.409 417 M N 0.510 120.034 119.600 -0.127 0.000 2.117 417 M HA -0.240 4.240 4.480 -0.000 0.000 0.262 417 M C 2.087 178.377 176.300 -0.017 0.000 1.065 417 M CA 1.845 57.114 55.300 -0.051 0.000 1.114 417 M CB -0.622 31.962 32.600 -0.026 0.000 1.361 417 M HN 0.186 nan 8.290 nan 0.000 0.408 418 F N -0.548 119.187 119.950 -0.358 0.000 2.095 418 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 418 F C 1.896 177.636 175.800 -0.100 0.000 1.104 418 F CA 1.847 59.694 58.000 -0.255 0.000 1.232 418 F CB -0.452 38.160 39.000 -0.646 0.000 0.987 418 F HN -0.029 nan 8.300 nan 0.000 0.475 419 V N 0.128 120.075 119.914 0.055 0.000 2.307 419 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 419 V C 2.736 178.805 176.094 -0.042 0.000 1.045 419 V CA 1.926 64.238 62.300 0.019 0.000 1.024 419 V CB -1.567 30.288 31.823 0.054 0.000 0.651 419 V HN 0.537 nan 8.190 nan 0.000 0.449 420 G N 0.603 109.390 108.800 -0.021 0.000 2.459 420 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 420 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 420 G C 1.762 176.619 174.900 -0.073 0.000 1.183 420 G CA 1.749 46.835 45.100 -0.024 0.000 0.776 420 G HN 0.578 nan 8.290 nan 0.000 0.552 421 V N -0.804 119.081 119.914 -0.047 0.000 2.427 421 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 421 V C 2.223 178.242 176.094 -0.125 0.000 1.051 421 V CA 2.105 64.387 62.300 -0.029 0.000 1.048 421 V CB -0.635 31.241 31.823 0.087 0.000 0.666 421 V HN 0.265 nan 8.190 nan 0.000 0.456 422 N N 0.084 118.656 118.700 -0.213 0.000 2.270 422 N HA -0.059 4.681 4.740 -0.000 0.000 0.181 422 N C 1.830 177.316 175.510 -0.041 0.000 1.016 422 N CA 1.991 54.936 53.050 -0.175 0.000 0.870 422 N CB -0.174 38.133 38.487 -0.299 0.000 0.979 422 N HN 0.593 nan 8.380 nan 0.000 0.431 423 M N 0.673 120.232 119.600 -0.068 0.000 2.254 423 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 423 M C 1.538 177.782 176.300 -0.092 0.000 1.066 423 M CA 1.118 56.406 55.300 -0.019 0.000 1.123 423 M CB 0.015 32.611 32.600 -0.008 0.000 1.388 423 M HN -0.040 nan 8.290 nan 0.000 0.425 424 T N 0.199 114.595 114.554 -0.265 0.000 2.732 424 T HA -0.058 4.292 4.350 -0.000 0.000 0.261 424 T C 1.154 175.454 174.700 -0.668 0.000 1.040 424 T CA 1.557 63.319 62.100 -0.563 0.000 1.145 424 T CB -0.297 67.960 68.868 -1.018 0.000 0.866 424 T HN 0.419 nan 8.240 nan 0.000 0.427 425 F N -0.497 119.400 119.950 -0.088 0.000 2.582 425 F HA 0.307 4.834 4.527 -0.000 0.000 0.290 425 F C 1.819 177.628 175.800 0.015 0.000 1.115 425 F CA -0.427 57.523 58.000 -0.084 0.000 1.445 425 F CB -0.294 38.620 39.000 -0.143 0.000 1.126 425 F HN 0.027 nan 8.300 nan 0.000 0.574 426 F N 2.823 122.846 119.950 0.123 0.000 2.095 426 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 426 F C -0.877 174.760 175.800 -0.272 0.000 1.104 426 F CA 1.188 59.235 58.000 0.077 0.000 1.232 426 F CB -1.677 37.343 39.000 0.033 0.000 0.987 426 F HN -0.150 nan 8.300 nan 0.000 0.475 427 P HA -0.166 nan 4.420 nan 0.000 0.222 427 P C 1.143 178.126 177.300 -0.528 0.000 1.147 427 P CA 1.530 64.294 63.100 -0.560 0.000 0.790 427 P CB -0.214 31.464 31.700 -0.037 0.000 0.780 428 Q N -1.743 117.838 119.800 -0.365 0.000 2.364 428 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 428 Q C 1.678 177.466 176.000 -0.353 0.000 0.977 428 Q CA 1.107 56.760 55.803 -0.251 0.000 0.885 428 Q CB -0.609 28.093 28.738 -0.060 0.000 0.941 428 Q HN 0.531 nan 8.270 nan 0.000 0.464 429 H N -0.751 117.954 119.070 -0.608 0.000 2.357 429 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 429 H C 1.479 176.648 175.328 -0.266 0.000 1.082 429 H CA 1.576 57.278 56.048 -0.576 0.000 1.342 429 H CB 0.013 29.225 29.762 -0.918 0.000 1.389 429 H HN 0.187 nan 8.280 nan 0.000 0.511 430 F N 0.452 120.253 119.950 -0.249 0.000 2.075 430 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 430 F C 2.282 178.063 175.800 -0.032 0.000 1.113 430 F CA 0.931 58.788 58.000 -0.238 0.000 1.218 430 F CB -1.120 37.459 39.000 -0.701 0.000 0.984 430 F HN 0.078 nan 8.300 nan 0.000 0.472 431 L N -0.315 120.988 121.223 0.133 0.000 2.079 431 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 431 L C 2.711 179.596 176.870 0.024 0.000 1.081 431 L CA 1.422 56.299 54.840 0.060 0.000 0.752 431 L CB -1.373 40.590 42.059 -0.159 0.000 0.896 431 L HN 0.294 nan 8.230 nan 0.000 0.433 432 G N -0.082 108.773 108.800 0.092 0.000 2.404 432 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 432 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 432 G C 1.606 176.584 174.900 0.130 0.000 1.189 432 G CA 0.354 45.542 45.100 0.146 0.000 0.789 432 G HN 0.207 nan 8.290 nan 0.000 0.533 433 L N 1.616 122.940 121.223 0.168 0.000 2.079 433 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 433 L C 3.039 179.974 176.870 0.108 0.000 1.081 433 L CA 1.544 56.438 54.840 0.090 0.000 0.752 433 L CB -0.354 41.774 42.059 0.115 0.000 0.896 433 L HN 0.425 nan 8.230 nan 0.000 0.433 434 S N -0.823 114.985 115.700 0.179 0.000 2.607 434 S HA 0.151 4.621 4.470 -0.000 0.000 0.224 434 S C 1.416 176.184 174.600 0.280 0.000 0.969 434 S CA 0.352 58.698 58.200 0.244 0.000 0.927 434 S CB 0.284 63.697 63.200 0.355 0.000 0.772 434 S HN 0.575 nan 8.310 nan 0.000 0.533 435 G N 1.091 109.978 108.800 0.145 0.000 2.144 435 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 435 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 435 G C -0.106 174.749 174.900 -0.074 0.000 0.988 435 G CA 0.053 45.207 45.100 0.091 0.000 0.659 435 G HN 0.628 nan 8.290 nan 0.000 0.522 436 M N 1.721 121.095 119.600 -0.378 0.000 2.251 436 M HA 0.414 4.894 4.480 -0.000 0.000 0.346 436 M C -2.113 174.030 176.300 -0.262 0.000 1.499 436 M CA -1.407 53.514 55.300 -0.631 0.000 1.128 436 M CB 0.659 32.685 32.600 -0.956 0.000 1.809 436 M HN -0.016 nan 8.290 nan 0.000 0.464 437 P HA 0.177 nan 4.420 nan 0.000 0.272 437 P C -1.111 176.023 177.300 -0.276 0.000 1.230 437 P CA -0.119 62.705 63.100 -0.459 0.000 0.788 437 P CB 0.561 31.646 31.700 -1.024 0.000 0.949 438 R N 1.416 121.810 120.500 -0.177 0.000 2.560 438 R HA 0.345 4.685 4.340 -0.000 0.000 0.270 438 R C 0.471 176.831 176.300 0.100 0.000 1.074 438 R CA -0.384 55.671 56.100 -0.074 0.000 1.140 438 R CB 0.190 30.415 30.300 -0.125 0.000 1.073 438 R HN 0.422 nan 8.270 nan 0.000 0.527 439 R N -0.238 120.424 120.500 0.270 0.000 3.656 439 R HA -0.228 4.112 4.340 -0.000 0.000 0.297 439 R C -1.104 175.568 176.300 0.619 0.000 1.166 439 R CA 0.754 57.113 56.100 0.431 0.000 0.799 439 R CB -2.053 28.413 30.300 0.276 0.000 1.285 439 R HN 0.574 nan 8.270 nan 0.000 0.477 440 Y N -0.383 120.069 120.300 0.252 0.000 2.330 440 Y HA 0.140 4.690 4.550 -0.000 0.000 0.336 440 Y C 1.723 177.449 175.900 -0.290 0.000 1.036 440 Y CA -0.242 57.894 58.100 0.060 0.000 1.125 440 Y CB 1.576 40.095 38.460 0.098 0.000 1.194 440 Y HN 0.178 nan 8.280 nan 0.000 0.469 441 S N 0.226 115.668 115.700 -0.429 0.000 2.496 441 S HA 0.007 4.477 4.470 -0.000 0.000 0.224 441 S C -0.067 174.309 174.600 -0.373 0.000 0.996 441 S CA 0.402 58.123 58.200 -0.798 0.000 0.927 441 S CB 0.190 63.091 63.200 -0.498 0.000 0.774 441 S HN 0.681 nan 8.310 nan 0.000 0.524 442 D N -0.405 119.862 120.400 -0.222 0.000 2.609 442 D HA 0.518 5.158 4.640 -0.000 0.000 0.239 442 D C -1.593 174.660 176.300 -0.079 0.000 1.229 442 D CA -0.767 53.069 54.000 -0.273 0.000 0.808 442 D CB 1.773 42.403 40.800 -0.283 0.000 1.448 442 D HN 0.248 nan 8.370 nan 0.000 0.433 443 Y N -1.439 118.913 120.300 0.086 0.000 2.609 443 Y HA 0.778 5.328 4.550 -0.000 0.000 0.342 443 Y C -2.656 173.367 175.900 0.205 0.000 1.058 443 Y CA -2.571 55.657 58.100 0.214 0.000 1.055 443 Y CB -0.188 38.398 38.460 0.211 0.000 1.292 443 Y HN 0.046 nan 8.280 nan 0.000 0.476 444 P HA 0.071 nan 4.420 nan 0.000 0.267 444 P C 0.018 177.454 177.300 0.226 0.000 1.200 444 P CA 0.212 63.456 63.100 0.239 0.000 0.772 444 P CB 0.838 32.654 31.700 0.193 0.000 0.855 445 D N 1.779 122.222 120.400 0.071 0.000 2.203 445 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 445 D C 1.859 178.156 176.300 -0.004 0.000 0.997 445 D CA 1.914 55.944 54.000 0.049 0.000 0.863 445 D CB -0.637 40.154 40.800 -0.014 0.000 0.928 445 D HN 0.393 nan 8.370 nan 0.000 0.458 446 A N -0.025 122.698 122.820 -0.161 0.000 2.024 446 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 446 A C 1.417 178.846 177.584 -0.258 0.000 1.164 446 A CA 0.986 52.858 52.037 -0.276 0.000 0.643 446 A CB -0.862 17.885 19.000 -0.422 0.000 0.806 446 A HN 0.282 nan 8.150 nan 0.000 0.451 447 Y N 0.333 120.642 120.300 0.015 0.000 2.529 447 Y HA 0.031 4.581 4.550 -0.000 0.000 0.290 447 Y C 2.418 178.155 175.900 -0.271 0.000 1.177 447 Y CA 0.583 58.608 58.100 -0.126 0.000 1.305 447 Y CB -1.178 37.162 38.460 -0.201 0.000 1.047 447 Y HN 0.226 nan 8.280 nan 0.000 0.522 448 T N 0.081 114.658 114.554 0.039 0.000 2.746 448 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 448 T C 2.086 176.722 174.700 -0.106 0.000 1.039 448 T CA 1.688 63.824 62.100 0.060 0.000 1.142 448 T CB -0.235 68.702 68.868 0.114 0.000 0.866 448 T HN 0.431 nan 8.240 nan 0.000 0.444 449 M N -0.377 119.064 119.600 -0.266 0.000 2.065 449 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 449 M C 1.946 178.090 176.300 -0.261 0.000 1.071 449 M CA 1.947 57.007 55.300 -0.400 0.000 1.109 449 M CB -0.281 31.852 32.600 -0.778 0.000 1.313 449 M HN 0.411 nan 8.290 nan 0.000 0.408 450 W N 0.379 121.668 121.300 -0.019 0.000 2.374 450 W HA -0.150 4.510 4.660 -0.000 0.000 0.288 450 W C 2.159 178.612 176.519 -0.110 0.000 1.218 450 W CA 0.145 57.481 57.345 -0.015 0.000 1.245 450 W CB -0.638 28.847 29.460 0.042 0.000 1.126 450 W HN 0.344 nan 8.180 nan 0.000 0.545 451 N N -0.168 118.512 118.700 -0.034 0.000 2.270 451 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 451 N C 1.511 177.000 175.510 -0.036 0.000 1.016 451 N CA 1.778 54.734 53.050 -0.157 0.000 0.870 451 N CB -0.430 37.785 38.487 -0.453 0.000 0.979 451 N HN 0.108 nan 8.380 nan 0.000 0.431 452 T N 1.809 116.359 114.554 -0.008 0.000 2.737 452 T HA 0.043 4.393 4.350 -0.000 0.000 0.265 452 T C 2.145 176.855 174.700 0.015 0.000 1.038 452 T CA 0.553 62.656 62.100 0.005 0.000 1.144 452 T CB -0.027 68.832 68.868 -0.015 0.000 0.866 452 T HN 0.149 nan 8.240 nan 0.000 0.434 453 I N 1.042 121.649 120.570 0.061 0.000 2.179 453 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 453 I C 2.820 178.970 176.117 0.054 0.000 1.088 453 I CA 1.080 62.438 61.300 0.097 0.000 1.357 453 I CB -0.416 37.724 38.000 0.232 0.000 1.051 453 I HN 0.257 nan 8.210 nan 0.000 0.409 454 S N 0.211 115.932 115.700 0.034 0.000 2.370 454 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 454 S C 2.199 176.754 174.600 -0.075 0.000 1.033 454 S CA 2.140 60.299 58.200 -0.068 0.000 1.011 454 S CB -0.189 62.947 63.200 -0.107 0.000 0.852 454 S HN 0.403 nan 8.310 nan 0.000 0.457 455 S N 1.032 116.724 115.700 -0.013 0.000 2.402 455 S HA 0.045 4.515 4.470 -0.000 0.000 0.229 455 S C 1.854 176.524 174.600 0.118 0.000 1.021 455 S CA 1.370 59.605 58.200 0.058 0.000 0.974 455 S CB -0.332 62.911 63.200 0.072 0.000 0.800 455 S HN 0.536 nan 8.310 nan 0.000 0.484 456 M N 0.802 120.421 119.600 0.032 0.000 2.132 456 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 456 M C 2.534 178.885 176.300 0.085 0.000 1.065 456 M CA 1.411 56.723 55.300 0.019 0.000 1.122 456 M CB -0.858 31.731 32.600 -0.018 0.000 1.365 456 M HN 0.449 nan 8.290 nan 0.000 0.411 457 G N 0.236 109.050 108.800 0.024 0.000 2.442 457 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 457 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 457 G C 1.624 176.514 174.900 -0.017 0.000 1.141 457 G CA 1.338 46.426 45.100 -0.018 0.000 0.763 457 G HN 0.563 nan 8.290 nan 0.000 0.554 458 S N -0.228 115.462 115.700 -0.017 0.000 2.419 458 S HA 0.011 4.481 4.470 -0.000 0.000 0.233 458 S C 2.070 176.684 174.600 0.024 0.000 1.016 458 S CA 0.886 59.067 58.200 -0.032 0.000 0.974 458 S CB -0.499 62.670 63.200 -0.052 0.000 0.786 458 S HN 0.288 nan 8.310 nan 0.000 0.492 459 F N 1.396 121.323 119.950 -0.038 0.000 2.234 459 F HA 0.265 4.792 4.527 -0.000 0.000 0.296 459 F C 2.191 177.991 175.800 0.001 0.000 1.089 459 F CA 0.705 58.698 58.000 -0.012 0.000 1.343 459 F CB -0.191 38.804 39.000 -0.008 0.000 1.040 459 F HN 0.174 nan 8.300 nan 0.000 0.498 460 I N -1.002 119.667 120.570 0.165 0.000 2.226 460 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 460 I C 2.377 178.535 176.117 0.068 0.000 1.100 460 I CA 1.235 62.594 61.300 0.099 0.000 1.374 460 I CB -0.655 37.385 38.000 0.067 0.000 1.057 460 I HN 0.001 nan 8.210 nan 0.000 0.413 461 S N 0.933 116.660 115.700 0.045 0.000 2.383 461 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 461 S C 1.926 176.552 174.600 0.043 0.000 1.030 461 S CA 1.315 59.545 58.200 0.050 0.000 1.002 461 S CB -0.429 62.796 63.200 0.042 0.000 0.829 461 S HN 0.337 nan 8.310 nan 0.000 0.467 462 L N 1.919 123.130 121.223 -0.019 0.000 2.042 462 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 462 L C 2.178 179.053 176.870 0.008 0.000 1.076 462 L CA 1.964 56.770 54.840 -0.056 0.000 0.749 462 L CB -1.449 40.490 42.059 -0.200 0.000 0.893 462 L HN 0.186 nan 8.230 nan 0.000 0.432 463 T N 0.024 114.601 114.554 0.039 0.000 2.759 463 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 463 T C 1.903 176.671 174.700 0.112 0.000 1.042 463 T CA 1.404 63.546 62.100 0.069 0.000 1.140 463 T CB -0.559 68.360 68.868 0.084 0.000 0.864 463 T HN 0.570 nan 8.240 nan 0.000 0.455 464 A N 0.811 123.716 122.820 0.142 0.000 1.898 464 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 464 A C 2.578 180.349 177.584 0.312 0.000 1.181 464 A CA 1.173 53.363 52.037 0.254 0.000 0.620 464 A CB -0.895 18.209 19.000 0.174 0.000 0.819 464 A HN 0.359 nan 8.150 nan 0.000 0.442 465 V N 0.152 120.179 119.914 0.188 0.000 2.343 465 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 465 V C 2.656 178.793 176.094 0.072 0.000 1.051 465 V CA 2.247 64.625 62.300 0.131 0.000 1.036 465 V CB -0.737 31.127 31.823 0.068 0.000 0.654 465 V HN 0.575 nan 8.190 nan 0.000 0.451 466 M N -0.905 118.728 119.600 0.055 0.000 2.117 466 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 466 M C 2.251 178.583 176.300 0.054 0.000 1.065 466 M CA 1.724 57.042 55.300 0.030 0.000 1.114 466 M CB -0.546 32.059 32.600 0.008 0.000 1.361 466 M HN 0.340 nan 8.290 nan 0.000 0.408 467 L N 0.671 121.947 121.223 0.088 0.000 2.083 467 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 467 L C 2.478 179.396 176.870 0.080 0.000 1.083 467 L CA 1.691 56.595 54.840 0.108 0.000 0.752 467 L CB -0.545 41.627 42.059 0.189 0.000 0.899 467 L HN 0.293 nan 8.230 nan 0.000 0.433 468 M N -1.800 117.785 119.600 -0.025 0.000 2.108 468 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 468 M C 2.003 178.242 176.300 -0.102 0.000 1.066 468 M CA 1.999 57.157 55.300 -0.236 0.000 1.107 468 M CB -0.098 32.313 32.600 -0.316 0.000 1.356 468 M HN 0.165 nan 8.290 nan 0.000 0.406 469 V N 0.672 120.577 119.914 -0.016 0.000 2.295 469 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 469 V C 2.197 178.338 176.094 0.079 0.000 1.049 469 V CA 2.203 64.521 62.300 0.029 0.000 1.024 469 V CB -1.077 30.767 31.823 0.036 0.000 0.648 469 V HN 0.648 nan 8.190 nan 0.000 0.447 470 F N 0.802 120.719 119.950 -0.055 0.000 2.095 470 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 470 F C 2.107 177.905 175.800 -0.003 0.000 1.104 470 F CA 1.745 59.721 58.000 -0.039 0.000 1.232 470 F CB -0.398 38.491 39.000 -0.185 0.000 0.987 470 F HN 0.079 nan 8.300 nan 0.000 0.475 471 I N 0.330 120.647 120.570 -0.422 0.000 2.208 471 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 471 I C 2.425 178.319 176.117 -0.372 0.000 1.097 471 I CA 1.615 62.600 61.300 -0.525 0.000 1.363 471 I CB -0.511 37.351 38.000 -0.230 0.000 1.051 471 I HN 0.210 nan 8.210 nan 0.000 0.413 472 I N -0.628 119.827 120.570 -0.191 0.000 2.315 472 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 472 I C 2.426 178.576 176.117 0.056 0.000 1.117 472 I CA 1.376 62.616 61.300 -0.099 0.000 1.404 472 I CB -0.372 37.687 38.000 0.097 0.000 1.071 472 I HN 0.417 nan 8.210 nan 0.000 0.419 473 W N 2.157 123.392 121.300 -0.109 0.000 2.358 473 W HA -0.219 4.441 4.660 -0.000 0.000 0.303 473 W C 2.462 178.891 176.519 -0.149 0.000 1.208 473 W CA 1.573 58.893 57.345 -0.043 0.000 1.274 473 W CB -0.147 29.267 29.460 -0.077 0.000 1.138 473 W HN 0.038 nan 8.180 nan 0.000 0.515 474 E N 0.758 120.672 120.200 -0.478 0.000 2.110 474 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 474 E C 2.128 178.411 176.600 -0.529 0.000 0.988 474 E CA 1.711 57.687 56.400 -0.707 0.000 0.804 474 E CB -0.547 28.736 29.700 -0.694 0.000 0.745 474 E HN 0.330 nan 8.360 nan 0.000 0.458 475 A N 0.224 122.806 122.820 -0.395 0.000 1.877 475 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 475 A C 2.152 179.485 177.584 -0.418 0.000 1.186 475 A CA 1.384 53.227 52.037 -0.324 0.000 0.620 475 A CB -1.070 17.754 19.000 -0.295 0.000 0.822 475 A HN 0.324 nan 8.150 nan 0.000 0.443 476 F N -0.195 119.598 119.950 -0.261 0.000 2.325 476 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 476 F C 2.699 178.191 175.800 -0.513 0.000 1.090 476 F CA 0.678 58.475 58.000 -0.339 0.000 1.392 476 F CB 0.001 38.940 39.000 -0.101 0.000 1.053 476 F HN 0.286 nan 8.300 nan 0.000 0.521 477 A N -1.000 121.497 122.820 -0.539 0.000 1.929 477 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 477 A C 2.267 179.591 177.584 -0.433 0.000 1.176 477 A CA 1.771 53.419 52.037 -0.648 0.000 0.628 477 A CB -0.742 17.434 19.000 -1.374 0.000 0.816 477 A HN 0.255 nan 8.150 nan 0.000 0.444 478 S N -0.863 114.590 115.700 -0.412 0.000 2.425 478 S HA 0.049 4.519 4.470 -0.000 0.000 0.225 478 S C 0.404 174.852 174.600 -0.252 0.000 1.024 478 S CA 0.613 58.654 58.200 -0.266 0.000 0.951 478 S CB -0.126 62.954 63.200 -0.200 0.000 0.796 478 S HN 0.576 nan 8.310 nan 0.000 0.498 479 K N 1.121 121.263 120.400 -0.430 0.000 3.393 479 K HA -0.154 4.166 4.320 -0.000 0.000 0.272 479 K C -0.926 175.614 176.600 -0.100 0.000 1.004 479 K CA 0.252 56.220 56.287 -0.531 0.000 0.764 479 K CB -1.169 31.131 32.500 -0.334 0.000 1.373 479 K HN 0.345 nan 8.250 nan 0.000 0.458 480 R N 1.831 122.316 120.500 -0.026 0.000 2.248 480 R HA 0.100 4.440 4.340 -0.000 0.000 0.337 480 R C -0.089 176.341 176.300 0.216 0.000 1.106 480 R CA -0.184 55.965 56.100 0.082 0.000 0.959 480 R CB 0.452 30.780 30.300 0.046 0.000 1.075 480 R HN 0.256 nan 8.270 nan 0.000 0.480 481 E N 1.828 122.152 120.200 0.207 0.000 2.338 481 E HA 0.072 4.422 4.350 -0.000 0.000 0.272 481 E C -0.095 176.550 176.600 0.076 0.000 1.029 481 E CA -0.384 56.112 56.400 0.160 0.000 0.872 481 E CB 1.332 31.101 29.700 0.116 0.000 1.015 481 E HN 0.194 nan 8.360 nan 0.000 0.417 482 V N 4.670 124.606 119.914 0.037 0.000 2.740 482 V HA -0.063 4.057 4.120 -0.000 0.000 0.303 482 V C 1.081 177.190 176.094 0.025 0.000 1.054 482 V CA 0.630 62.946 62.300 0.028 0.000 1.106 482 V CB 0.647 32.485 31.823 0.025 0.000 0.957 482 V HN 0.698 nan 8.190 nan 0.000 0.486 483 L N 2.410 123.645 121.223 0.021 0.000 2.670 483 L HA 0.269 4.609 4.340 -0.000 0.000 0.177 483 L C 0.779 177.658 176.870 0.015 0.000 1.181 483 L CA 0.569 55.420 54.840 0.019 0.000 0.856 483 L CB 0.304 42.372 42.059 0.015 0.000 1.205 483 L HN 0.609 nan 8.230 nan 0.000 0.506 484 T N 0.293 114.847 114.554 -0.000 0.000 2.887 484 T HA 0.621 4.971 4.350 -0.000 0.000 0.288 484 T C -0.903 173.765 174.700 -0.053 0.000 1.021 484 T CA -0.302 61.790 62.100 -0.014 0.000 1.000 484 T CB 2.837 71.695 68.868 -0.016 0.000 1.034 484 T HN -0.220 nan 8.240 nan 0.000 0.467 485 V N 2.456 122.324 119.914 -0.076 0.000 2.638 485 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 485 V C -0.370 175.639 176.094 -0.143 0.000 1.052 485 V CA -0.983 61.205 62.300 -0.187 0.000 0.885 485 V CB 2.148 33.775 31.823 -0.326 0.000 0.999 485 V HN 0.827 nan 8.190 nan 0.000 0.424 486 D N 2.462 122.773 120.400 -0.149 0.000 2.354 486 D HA 0.486 5.126 4.640 -0.000 0.000 0.247 486 D C 0.869 177.067 176.300 -0.170 0.000 1.138 486 D CA -0.021 53.891 54.000 -0.147 0.000 0.958 486 D CB 1.292 41.984 40.800 -0.179 0.000 1.144 486 D HN 0.581 nan 8.370 nan 0.000 0.458 487 L N 0.680 121.806 121.223 -0.161 0.000 4.040 487 L HA -0.313 4.027 4.340 -0.000 0.000 0.410 487 L C 1.732 178.616 176.870 0.024 0.000 1.187 487 L CA 0.719 55.482 54.840 -0.129 0.000 0.956 487 L CB -2.425 39.434 42.059 -0.334 0.000 2.022 487 L HN 0.545 nan 8.230 nan 0.000 0.897 488 T N -5.093 109.492 114.554 0.052 0.000 2.977 488 T HA -0.178 4.172 4.350 -0.000 0.000 0.271 488 T C 1.720 176.512 174.700 0.154 0.000 1.105 488 T CA 1.490 63.681 62.100 0.152 0.000 1.116 488 T CB -0.443 68.514 68.868 0.148 0.000 0.878 488 T HN 0.619 nan 8.240 nan 0.000 0.509 489 T N 0.428 115.038 114.554 0.094 0.000 2.929 489 T HA -0.069 4.281 4.350 -0.000 0.000 0.271 489 T C 1.650 176.416 174.700 0.108 0.000 1.085 489 T CA 1.346 63.501 62.100 0.090 0.000 1.125 489 T CB -0.847 68.052 68.868 0.051 0.000 0.874 489 T HN 0.643 nan 8.240 nan 0.000 0.494 490 T N -1.021 113.606 114.554 0.120 0.000 3.252 490 T HA 0.362 4.712 4.350 -0.000 0.000 0.286 490 T C 0.051 174.887 174.700 0.227 0.000 1.013 490 T CA -0.838 61.344 62.100 0.137 0.000 0.914 490 T CB -0.113 68.803 68.868 0.080 0.000 1.131 490 T HN 0.281 nan 8.240 nan 0.000 0.529 491 N N 1.365 120.248 118.700 0.306 0.000 2.716 491 N HA 0.158 4.898 4.740 -0.000 0.000 0.245 491 N C 0.419 176.219 175.510 0.482 0.000 1.495 491 N CA -0.268 53.068 53.050 0.476 0.000 0.759 491 N CB 1.662 40.530 38.487 0.634 0.000 1.261 491 N HN 0.055 nan 8.380 nan 0.000 0.515 492 L N 2.051 123.495 121.223 0.369 0.000 2.137 492 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 492 L C 2.435 179.525 176.870 0.367 0.000 1.085 492 L CA 2.050 57.093 54.840 0.339 0.000 0.760 492 L CB -0.116 42.109 42.059 0.276 0.000 0.893 492 L HN 0.427 nan 8.230 nan 0.000 0.434 493 E N -1.575 118.829 120.200 0.339 0.000 2.265 493 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 493 E C 1.747 178.423 176.600 0.127 0.000 0.996 493 E CA 1.597 58.128 56.400 0.217 0.000 0.832 493 E CB -0.951 28.810 29.700 0.103 0.000 0.756 493 E HN 0.716 nan 8.360 nan 0.000 0.491 494 W N 0.199 121.636 121.300 0.229 0.000 3.077 494 W HA 0.205 4.865 4.660 -0.000 0.000 0.266 494 W C 1.727 178.319 176.519 0.121 0.000 1.300 494 W CA -0.539 56.895 57.345 0.148 0.000 1.586 494 W CB -0.022 29.503 29.460 0.108 0.000 1.103 494 W HN 0.055 nan 8.180 nan 0.000 0.652 495 L N 1.078 122.505 121.223 0.341 0.000 2.450 495 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 495 L C 1.131 178.078 176.870 0.128 0.000 1.149 495 L CA 1.550 56.525 54.840 0.225 0.000 0.816 495 L CB -0.602 41.592 42.059 0.225 0.000 0.932 495 L HN 0.022 nan 8.230 nan 0.000 0.449 496 N N 0.013 118.776 118.700 0.105 0.000 2.273 496 N HA 0.246 4.986 4.740 -0.000 0.000 0.231 496 N C 0.601 176.145 175.510 0.057 0.000 1.134 496 N CA 0.742 53.805 53.050 0.021 0.000 0.856 496 N CB 0.546 38.992 38.487 -0.069 0.000 1.068 496 N HN 0.318 nan 8.380 nan 0.000 0.510 497 G N 0.449 109.310 108.800 0.102 0.000 2.795 497 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.664 497 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.664 497 G C -0.764 174.194 174.900 0.097 0.000 1.381 497 G CA -0.813 44.343 45.100 0.093 0.000 0.853 497 G HN 0.291 nan 8.290 nan 0.000 0.545 498 C N 2.847 122.187 119.300 0.067 0.000 2.321 498 C HA 0.694 5.154 4.460 -0.000 0.000 0.323 498 C C -1.331 173.629 174.990 -0.049 0.000 1.191 498 C CA -0.800 58.229 59.018 0.018 0.000 1.455 498 C CB 1.002 28.768 27.740 0.042 0.000 2.083 498 C HN 0.814 nan 8.230 nan 0.000 0.442 499 P HA 0.410 nan 4.420 nan 0.000 0.282 499 P C -2.678 174.675 177.300 0.089 0.000 1.259 499 P CA -1.368 61.758 63.100 0.043 0.000 0.826 499 P CB 0.623 32.380 31.700 0.094 0.000 1.064 500 P HA 0.206 nan 4.420 nan 0.000 0.274 500 P C -2.258 175.082 177.300 0.066 0.000 1.237 500 P CA -1.462 61.699 63.100 0.102 0.000 0.793 500 P CB -0.979 30.803 31.700 0.137 0.000 0.977 501 P HA -0.054 nan 4.420 nan 0.000 0.270 501 P C 0.768 178.071 177.300 0.005 0.000 1.223 501 P CA -0.018 63.104 63.100 0.037 0.000 0.785 501 P CB 0.507 32.232 31.700 0.043 0.000 0.923 502 Y N 1.529 121.733 120.300 -0.162 0.000 2.102 502 Y HA -0.245 4.305 4.550 -0.000 0.000 0.280 502 Y C 0.907 176.603 175.900 -0.341 0.000 1.178 502 Y CA 1.744 59.649 58.100 -0.325 0.000 1.146 502 Y CB -0.440 37.757 38.460 -0.439 0.000 0.968 502 Y HN 0.424 nan 8.280 nan 0.000 0.504 503 H N -0.173 118.947 119.070 0.084 0.000 2.541 503 H HA 0.371 4.927 4.556 -0.000 0.000 0.316 503 H C -0.263 175.059 175.328 -0.010 0.000 1.043 503 H CA -0.206 55.855 56.048 0.022 0.000 1.232 503 H CB 1.026 30.836 29.762 0.079 0.000 1.406 503 H HN 0.027 nan 8.280 nan 0.000 0.469 504 T N -0.352 114.273 114.554 0.118 0.000 2.908 504 T HA 0.341 4.691 4.350 -0.000 0.000 0.290 504 T C -0.182 174.574 174.700 0.093 0.000 1.034 504 T CA -0.972 61.121 62.100 -0.012 0.000 1.010 504 T CB 0.979 69.817 68.868 -0.051 0.000 1.068 504 T HN 0.575 nan 8.240 nan 0.000 0.481 505 F N -0.426 119.561 119.950 0.061 0.000 3.091 505 F HA -0.207 4.320 4.527 -0.000 0.000 0.288 505 F C 1.326 177.139 175.800 0.022 0.000 0.907 505 F CA 0.514 58.536 58.000 0.038 0.000 1.028 505 F CB -2.411 36.602 39.000 0.021 0.000 1.022 505 F HN 0.811 nan 8.300 nan 0.000 0.665 506 E N 0.361 120.616 120.200 0.091 0.000 2.110 506 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 506 E C 1.126 177.759 176.600 0.055 0.000 0.988 506 E CA 1.393 57.821 56.400 0.047 0.000 0.804 506 E CB 0.061 29.755 29.700 -0.010 0.000 0.745 506 E HN 0.633 nan 8.360 nan 0.000 0.458 507 E N 1.834 122.074 120.200 0.066 0.000 2.092 507 E HA 0.148 4.498 4.350 -0.000 0.000 0.271 507 E C -2.360 174.326 176.600 0.142 0.000 0.919 507 E CA -2.629 53.816 56.400 0.076 0.000 0.760 507 E CB 0.934 30.668 29.700 0.056 0.000 1.106 507 E HN -0.152 nan 8.360 nan 0.000 0.408 508 P HA -0.028 nan 4.420 nan 0.000 0.271 508 P C -0.110 177.315 177.300 0.209 0.000 1.233 508 P CA -0.276 62.936 63.100 0.187 0.000 0.789 508 P CB 0.500 32.250 31.700 0.084 0.000 0.951 509 T N -1.179 113.515 114.554 0.234 0.000 2.802 509 T HA 0.111 4.461 4.350 -0.000 0.000 0.305 509 T C -0.395 174.415 174.700 0.183 0.000 1.053 509 T CA -0.202 62.033 62.100 0.226 0.000 1.058 509 T CB 0.044 69.028 68.868 0.193 0.000 0.988 509 T HN 0.399 nan 8.240 nan 0.000 0.539 510 Y N 1.325 121.668 120.300 0.071 0.000 2.331 510 Y HA 0.559 5.109 4.550 -0.000 0.000 0.338 510 Y C -1.299 174.624 175.900 0.039 0.000 0.976 510 Y CA -1.302 56.825 58.100 0.046 0.000 1.137 510 Y CB 0.970 39.455 38.460 0.041 0.000 1.172 510 Y HN 0.585 nan 8.280 nan 0.000 0.478 511 V N 6.677 126.405 119.914 -0.309 0.000 2.488 511 V HA 0.251 4.371 4.120 -0.000 0.000 0.293 511 V C -0.490 175.398 176.094 -0.343 0.000 1.027 511 V CA -1.256 60.933 62.300 -0.185 0.000 0.862 511 V CB 1.394 33.174 31.823 -0.070 0.000 1.008 511 V HN 0.872 nan 8.190 nan 0.000 0.428 512 N N 2.743 121.306 118.700 -0.229 0.000 2.453 512 N HA 0.193 4.933 4.740 -0.000 0.000 0.253 512 N C 0.645 176.107 175.510 -0.081 0.000 1.252 512 N CA -0.454 52.508 53.050 -0.146 0.000 0.917 512 N CB 0.945 39.457 38.487 0.041 0.000 1.117 512 N HN 0.550 nan 8.380 nan 0.000 0.442 513 L N 1.704 122.887 121.223 -0.067 0.000 2.298 513 L HA 0.187 4.527 4.340 -0.000 0.000 0.209 513 L C 0.346 177.210 176.870 -0.010 0.000 1.084 513 L CA 1.339 56.156 54.840 -0.038 0.000 0.816 513 L CB -0.504 41.530 42.059 -0.041 0.000 0.967 513 L HN 0.702 nan 8.230 nan 0.000 0.460 514 K N 0.000 120.401 120.400 0.001 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.295 56.287 0.014 0.000 0.838 514 K CB 0.000 32.511 32.500 0.018 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543