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 3cw9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVG RQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSGTTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNIYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPQ ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.051 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 Q N 2.313 122.150 119.800 0.061 0.000 2.401 2 Q HA 0.461 4.802 4.340 0.001 0.000 0.260 2 Q C -0.872 175.191 176.000 0.106 0.000 1.034 2 Q CA -0.420 55.427 55.803 0.073 0.000 0.737 2 Q CB 1.812 30.587 28.738 0.061 0.000 1.227 2 Q HN 0.840 nan 8.270 nan 0.000 0.488 3 T N -1.596 113.042 114.554 0.140 0.000 2.766 3 T HA 0.117 4.467 4.350 0.001 0.000 0.295 3 T C 1.461 176.322 174.700 0.268 0.000 1.024 3 T CA -0.644 61.593 62.100 0.229 0.000 1.018 3 T CB 0.824 69.855 68.868 0.271 0.000 1.002 3 T HN 0.314 nan 8.240 nan 0.000 0.532 4 V N 1.609 121.745 119.914 0.369 0.000 2.282 4 V HA -0.203 3.918 4.120 0.001 0.000 0.249 4 V C 2.866 179.166 176.094 0.343 0.000 1.057 4 V CA 2.484 64.962 62.300 0.297 0.000 1.032 4 V CB -1.349 30.592 31.823 0.198 0.000 0.645 4 V HN 0.976 nan 8.190 nan 0.000 0.447 5 N N -0.263 118.772 118.700 0.559 0.000 2.104 5 N HA -0.186 4.555 4.740 0.001 0.000 0.190 5 N C 1.860 177.473 175.510 0.172 0.000 1.024 5 N CA 1.370 54.609 53.050 0.316 0.000 0.853 5 N CB -0.097 38.449 38.487 0.098 0.000 1.008 5 N HN 0.383 nan 8.380 nan 0.000 0.424 6 E N 0.070 120.363 120.200 0.155 0.000 2.072 6 E HA -0.117 4.233 4.350 0.001 0.000 0.191 6 E C 2.023 178.677 176.600 0.090 0.000 0.985 6 E CA 0.769 57.229 56.400 0.099 0.000 0.801 6 E CB -0.254 29.496 29.700 0.085 0.000 0.750 6 E HN 0.532 nan 8.360 nan 0.000 0.452 7 M N 0.158 119.820 119.600 0.103 0.000 2.108 7 M HA -0.181 4.300 4.480 0.001 0.000 0.261 7 M C 2.312 178.659 176.300 0.079 0.000 1.066 7 M CA 1.364 56.711 55.300 0.079 0.000 1.107 7 M CB -0.270 32.374 32.600 0.073 0.000 1.356 7 M HN 0.075 nan 8.290 nan 0.000 0.406 8 L N -1.329 119.952 121.223 0.097 0.000 2.131 8 L HA -0.124 4.216 4.340 0.001 0.000 0.206 8 L C 2.628 179.562 176.870 0.107 0.000 1.087 8 L CA 0.830 55.733 54.840 0.105 0.000 0.767 8 L CB -0.702 41.416 42.059 0.099 0.000 0.917 8 L HN 0.309 nan 8.230 nan 0.000 0.441 9 R N 0.763 121.317 120.500 0.090 0.000 2.073 9 R HA -0.152 4.189 4.340 0.001 0.000 0.234 9 R C 2.495 178.827 176.300 0.054 0.000 1.134 9 R CA 1.486 57.627 56.100 0.069 0.000 0.952 9 R CB -0.027 30.306 30.300 0.055 0.000 0.850 9 R HN 0.283 nan 8.270 nan 0.000 0.433 10 R N -0.169 120.360 120.500 0.047 0.000 2.075 10 R HA -0.056 4.285 4.340 0.001 0.000 0.232 10 R C 2.374 178.684 176.300 0.017 0.000 1.126 10 R CA 1.243 57.359 56.100 0.027 0.000 0.963 10 R CB -0.382 29.930 30.300 0.020 0.000 0.858 10 R HN 0.243 nan 8.270 nan 0.000 0.435 11 A N 1.530 124.367 122.820 0.029 0.000 1.917 11 A HA -0.190 4.130 4.320 0.001 0.000 0.219 11 A C 2.380 179.920 177.584 -0.074 0.000 1.182 11 A CA 1.932 53.958 52.037 -0.020 0.000 0.633 11 A CB -0.707 18.312 19.000 0.032 0.000 0.819 11 A HN 0.417 nan 8.150 nan 0.000 0.448 12 A N -0.590 122.254 122.820 0.040 0.000 2.015 12 A HA -0.025 4.296 4.320 0.001 0.000 0.219 12 A C 2.365 179.967 177.584 0.030 0.000 1.163 12 A CA 2.242 54.322 52.037 0.072 0.000 0.646 12 A CB -1.200 17.874 19.000 0.124 0.000 0.806 12 A HN 0.808 nan 8.150 nan 0.000 0.448 13 T N -2.413 112.151 114.554 0.017 0.000 2.904 13 T HA -0.073 4.277 4.350 0.001 0.000 0.267 13 T C 1.896 176.593 174.700 -0.005 0.000 1.059 13 T CA 1.201 63.306 62.100 0.009 0.000 1.137 13 T CB -0.261 68.611 68.868 0.007 0.000 0.879 13 T HN 0.535 nan 8.240 nan 0.000 0.467 14 R N 1.175 121.662 120.500 -0.022 0.000 2.112 14 R HA 0.420 4.761 4.340 0.001 0.000 0.216 14 R C 1.451 177.723 176.300 -0.045 0.000 1.080 14 R CA 0.885 56.969 56.100 -0.026 0.000 0.996 14 R CB 0.136 30.430 30.300 -0.010 0.000 0.902 14 R HN 0.433 nan 8.270 nan 0.000 0.449 15 A N 1.312 124.072 122.820 -0.099 0.000 3.129 15 A HA 0.283 4.604 4.320 0.001 0.000 0.282 15 A C -2.010 175.567 177.584 -0.012 0.000 0.948 15 A CA -1.100 50.871 52.037 -0.109 0.000 1.027 15 A CB 0.451 19.282 19.000 -0.281 0.000 1.123 15 A HN -0.033 nan 8.150 nan 0.000 0.485 16 P HA -0.159 nan 4.420 nan 0.000 0.216 16 P C 0.067 177.438 177.300 0.119 0.000 1.150 16 P CA 1.406 64.557 63.100 0.085 0.000 0.843 16 P CB 0.253 31.986 31.700 0.054 0.000 0.787 17 D N -2.572 117.892 120.400 0.106 0.000 2.368 17 D HA 0.042 4.683 4.640 0.001 0.000 0.218 17 D C 0.417 176.794 176.300 0.129 0.000 1.112 17 D CA 0.013 54.071 54.000 0.098 0.000 0.834 17 D CB -0.636 40.204 40.800 0.066 0.000 0.953 17 D HN 0.295 nan 8.370 nan 0.000 0.505 18 H N 0.313 119.435 119.070 0.087 0.000 2.525 18 H HA 0.179 4.735 4.556 0.001 0.000 0.339 18 H C -0.242 175.193 175.328 0.178 0.000 1.109 18 H CA -0.588 55.525 56.048 0.110 0.000 1.352 18 H CB 0.905 30.714 29.762 0.078 0.000 1.461 18 H HN -0.070 nan 8.280 nan 0.000 0.533 19 C N 4.791 123.842 119.300 -0.416 0.000 2.638 19 C HA 0.392 4.852 4.460 0.001 0.000 0.410 19 C C 1.525 176.448 174.990 -0.111 0.000 1.404 19 C CA 0.361 59.240 59.018 -0.232 0.000 1.651 19 C CB -1.907 25.671 27.740 -0.270 0.000 2.495 19 C HN 0.912 nan 8.230 nan 0.000 0.606 20 A N 5.120 127.839 122.820 -0.168 0.000 1.920 20 A HA 0.405 4.725 4.320 0.001 0.000 0.209 20 A C 0.217 177.719 177.584 -0.137 0.000 1.229 20 A CA 0.637 52.448 52.037 -0.377 0.000 0.671 20 A CB -0.098 18.475 19.000 -0.711 0.000 0.886 20 A HN 0.648 nan 8.150 nan 0.000 0.461 21 L N -0.318 120.858 121.223 -0.079 0.000 2.381 21 L HA 0.729 5.069 4.340 0.001 0.000 0.274 21 L C -0.321 176.549 176.870 0.001 0.000 0.988 21 L CA -0.484 54.364 54.840 0.013 0.000 0.824 21 L CB 1.431 43.500 42.059 0.016 0.000 1.263 21 L HN 0.263 nan 8.230 nan 0.000 0.410 22 A N 3.749 126.575 122.820 0.011 0.000 2.343 22 A HA 0.807 5.128 4.320 0.001 0.000 0.308 22 A C -1.112 176.467 177.584 -0.010 0.000 1.092 22 A CA -0.480 51.549 52.037 -0.013 0.000 0.751 22 A CB 1.484 20.465 19.000 -0.033 0.000 1.203 22 A HN 0.367 nan 8.150 nan 0.000 0.452 23 V N 4.669 124.581 119.914 -0.004 0.000 2.313 23 V HA 0.225 4.346 4.120 0.001 0.000 0.262 23 V C -2.006 174.084 176.094 -0.007 0.000 1.011 23 V CA -0.977 61.322 62.300 -0.002 0.000 0.858 23 V CB 0.850 32.681 31.823 0.013 0.000 1.104 23 V HN 0.728 nan 8.190 nan 0.000 0.456 24 P HA -0.179 nan 4.420 nan 0.000 0.216 24 P C 1.722 179.018 177.300 -0.007 0.000 1.153 24 P CA 1.875 64.968 63.100 -0.012 0.000 0.858 24 P CB 0.345 32.036 31.700 -0.015 0.000 0.789 25 A N -0.407 122.410 122.820 -0.006 0.000 2.070 25 A HA -0.149 4.171 4.320 0.001 0.000 0.220 25 A C 2.045 179.628 177.584 -0.002 0.000 1.159 25 A CA 1.243 53.278 52.037 -0.004 0.000 0.656 25 A CB -0.792 18.206 19.000 -0.003 0.000 0.800 25 A HN 0.142 nan 8.150 nan 0.000 0.453 26 R N -1.622 118.878 120.500 0.000 0.000 2.362 26 R HA 0.218 4.558 4.340 0.001 0.000 0.227 26 R C 1.125 177.426 176.300 0.001 0.000 0.905 26 R CA 0.456 56.557 56.100 0.002 0.000 1.067 26 R CB 0.092 30.395 30.300 0.005 0.000 1.078 26 R HN 0.590 nan 8.270 nan 0.000 0.516 27 G N 2.204 111.003 108.800 -0.001 0.000 2.225 27 G HA2 -0.271 3.690 3.960 0.001 0.000 0.267 27 G HA3 -0.271 3.690 3.960 0.001 0.000 0.267 27 G C -0.274 174.625 174.900 -0.002 0.000 1.024 27 G CA 0.219 45.317 45.100 -0.003 0.000 0.784 27 G HN 0.224 nan 8.290 nan 0.000 0.507 28 L N 0.227 121.450 121.223 -0.000 0.000 2.265 28 L HA 0.821 5.162 4.340 0.001 0.000 0.289 28 L C 0.284 177.152 176.870 -0.004 0.000 1.033 28 L CA -0.892 53.949 54.840 0.001 0.000 0.814 28 L CB 0.770 42.833 42.059 0.008 0.000 1.203 28 L HN 0.233 nan 8.230 nan 0.000 0.423 29 R N 5.465 125.960 120.500 -0.008 0.000 2.575 29 R HA 0.740 5.080 4.340 0.001 0.000 0.293 29 R C -1.588 174.702 176.300 -0.018 0.000 0.983 29 R CA -0.721 55.368 56.100 -0.018 0.000 0.887 29 R CB 1.905 32.189 30.300 -0.027 0.000 1.184 29 R HN 0.598 nan 8.270 nan 0.000 0.445 30 L N 2.140 123.347 121.223 -0.027 0.000 2.409 30 L HA 0.420 4.761 4.340 0.001 0.000 0.272 30 L C 0.463 177.307 176.870 -0.043 0.000 0.980 30 L CA -0.886 53.939 54.840 -0.026 0.000 0.826 30 L CB 2.341 44.386 42.059 -0.022 0.000 1.268 30 L HN 0.744 nan 8.230 nan 0.000 0.407 31 T N -3.214 111.330 114.554 -0.016 0.000 2.766 31 T HA 0.116 4.467 4.350 0.001 0.000 0.295 31 T C 1.248 175.963 174.700 0.026 0.000 1.024 31 T CA -0.266 61.845 62.100 0.018 0.000 1.018 31 T CB 0.703 69.606 68.868 0.057 0.000 1.002 31 T HN 0.508 nan 8.240 nan 0.000 0.532 32 H N 0.768 119.860 119.070 0.036 0.000 2.352 32 H HA -0.113 4.444 4.556 0.001 0.000 0.299 32 H C 2.523 177.869 175.328 0.031 0.000 1.097 32 H CA 1.856 57.928 56.048 0.040 0.000 1.311 32 H CB -0.459 29.337 29.762 0.058 0.000 1.377 32 H HN 0.811 nan 8.280 nan 0.000 0.504 33 A N 1.106 124.016 122.820 0.150 0.000 1.898 33 A HA -0.155 4.166 4.320 0.001 0.000 0.216 33 A C 2.275 179.891 177.584 0.053 0.000 1.181 33 A CA 1.423 53.512 52.037 0.087 0.000 0.620 33 A CB -0.302 18.741 19.000 0.070 0.000 0.819 33 A HN 0.437 nan 8.150 nan 0.000 0.442 34 E N -0.756 119.469 120.200 0.041 0.000 2.077 34 E HA -0.175 4.176 4.350 0.001 0.000 0.193 34 E C 1.923 178.531 176.600 0.013 0.000 0.989 34 E CA 1.127 57.541 56.400 0.022 0.000 0.800 34 E CB -0.224 29.485 29.700 0.015 0.000 0.746 34 E HN 0.488 nan 8.360 nan 0.000 0.452 35 L N 1.281 122.506 121.223 0.003 0.000 2.017 35 L HA -0.167 4.174 4.340 0.001 0.000 0.208 35 L C 2.123 178.999 176.870 0.010 0.000 1.073 35 L CA 1.719 56.554 54.840 -0.010 0.000 0.745 35 L CB -0.252 41.775 42.059 -0.054 0.000 0.894 35 L HN -0.054 nan 8.230 nan 0.000 0.432 36 R N -0.164 120.352 120.500 0.027 0.000 2.091 36 R HA -0.118 4.223 4.340 0.001 0.000 0.238 36 R C 2.161 178.474 176.300 0.023 0.000 1.136 36 R CA 1.425 57.546 56.100 0.035 0.000 0.959 36 R CB -1.110 29.220 30.300 0.049 0.000 0.856 36 R HN 0.561 nan 8.270 nan 0.000 0.437 37 A N 0.858 123.690 122.820 0.020 0.000 1.933 37 A HA -0.160 4.161 4.320 0.001 0.000 0.218 37 A C 2.239 179.827 177.584 0.006 0.000 1.175 37 A CA 1.323 53.367 52.037 0.012 0.000 0.628 37 A CB -0.313 18.695 19.000 0.014 0.000 0.814 37 A HN 0.238 nan 8.150 nan 0.000 0.444 38 R N -0.923 119.582 120.500 0.009 0.000 2.115 38 R HA 0.004 4.345 4.340 0.001 0.000 0.226 38 R C 1.961 178.265 176.300 0.007 0.000 1.100 38 R CA 1.129 57.234 56.100 0.008 0.000 0.980 38 R CB -0.375 29.932 30.300 0.012 0.000 0.875 38 R HN 0.364 nan 8.270 nan 0.000 0.445 39 V N 1.362 121.284 119.914 0.013 0.000 2.343 39 V HA -0.215 3.906 4.120 0.001 0.000 0.247 39 V C 2.139 178.237 176.094 0.007 0.000 1.051 39 V CA 1.705 64.017 62.300 0.020 0.000 1.036 39 V CB -0.336 31.509 31.823 0.036 0.000 0.654 39 V HN 0.288 nan 8.190 nan 0.000 0.451 40 E N 0.385 120.585 120.200 -0.000 0.000 2.077 40 E HA -0.197 4.154 4.350 0.001 0.000 0.193 40 E C 2.364 178.944 176.600 -0.033 0.000 0.989 40 E CA 1.540 57.930 56.400 -0.016 0.000 0.800 40 E CB -0.452 29.240 29.700 -0.014 0.000 0.746 40 E HN 0.578 nan 8.360 nan 0.000 0.452 41 A N 1.108 123.908 122.820 -0.032 0.000 1.898 41 A HA -0.119 4.201 4.320 0.001 0.000 0.216 41 A C 2.619 180.154 177.584 -0.082 0.000 1.181 41 A CA 1.363 53.367 52.037 -0.056 0.000 0.620 41 A CB -0.627 18.348 19.000 -0.041 0.000 0.819 41 A HN 0.125 nan 8.150 nan 0.000 0.442 42 V N -0.153 119.729 119.914 -0.053 0.000 2.358 42 V HA -0.210 3.910 4.120 0.001 0.000 0.246 42 V C 3.047 179.107 176.094 -0.057 0.000 1.047 42 V CA 1.812 64.079 62.300 -0.055 0.000 1.035 42 V CB -1.231 30.583 31.823 -0.014 0.000 0.658 42 V HN 0.607 nan 8.190 nan 0.000 0.452 43 A N 0.151 122.952 122.820 -0.033 0.000 1.902 43 A HA -0.145 4.176 4.320 0.001 0.000 0.217 43 A C 2.437 180.007 177.584 -0.024 0.000 1.181 43 A CA 2.192 54.218 52.037 -0.019 0.000 0.623 43 A CB -0.816 18.175 19.000 -0.016 0.000 0.818 43 A HN 0.566 nan 8.150 nan 0.000 0.443 44 A N -0.511 122.274 122.820 -0.059 0.000 1.877 44 A HA -0.180 4.140 4.320 0.001 0.000 0.216 44 A C 2.301 179.829 177.584 -0.093 0.000 1.186 44 A CA 1.719 53.715 52.037 -0.067 0.000 0.620 44 A CB -0.539 18.411 19.000 -0.083 0.000 0.822 44 A HN 0.444 nan 8.150 nan 0.000 0.443 45 R N 0.025 120.397 120.500 -0.213 0.000 2.073 45 R HA -0.084 4.257 4.340 0.001 0.000 0.234 45 R C 2.012 178.170 176.300 -0.237 0.000 1.134 45 R CA 1.766 57.603 56.100 -0.438 0.000 0.952 45 R CB -0.729 29.212 30.300 -0.598 0.000 0.850 45 R HN 0.560 nan 8.270 nan 0.000 0.433 46 L N -0.240 120.916 121.223 -0.110 0.000 2.079 46 L HA -0.213 4.127 4.340 0.001 0.000 0.210 46 L C 2.871 179.742 176.870 0.003 0.000 1.081 46 L CA 1.497 56.314 54.840 -0.037 0.000 0.752 46 L CB -0.717 41.333 42.059 -0.014 0.000 0.896 46 L HN 0.365 nan 8.230 nan 0.000 0.433 47 H N 0.115 119.151 119.070 -0.056 0.000 2.389 47 H HA -0.088 4.469 4.556 0.001 0.000 0.299 47 H C 2.146 177.468 175.328 -0.009 0.000 1.081 47 H CA 1.404 57.433 56.048 -0.032 0.000 1.345 47 H CB 0.363 30.104 29.762 -0.036 0.000 1.393 47 H HN 0.324 nan 8.280 nan 0.000 0.520 48 A N 0.788 123.684 122.820 0.127 0.000 1.940 48 A HA -0.164 4.156 4.320 0.001 0.000 0.219 48 A C 1.887 179.536 177.584 0.108 0.000 1.176 48 A CA 1.847 53.966 52.037 0.137 0.000 0.631 48 A CB -0.266 18.852 19.000 0.197 0.000 0.814 48 A HN 0.381 nan 8.150 nan 0.000 0.446 49 D N -1.722 118.724 120.400 0.077 0.000 2.363 49 D HA 0.256 4.897 4.640 0.001 0.000 0.220 49 D C 1.347 177.646 176.300 -0.002 0.000 0.994 49 D CA 1.233 55.275 54.000 0.069 0.000 0.890 49 D CB 0.227 41.072 40.800 0.074 0.000 0.906 49 D HN 0.626 nan 8.370 nan 0.000 0.530 50 G N 0.101 108.861 108.800 -0.067 0.000 2.205 50 G HA2 -0.213 3.748 3.960 0.001 0.000 0.180 50 G HA3 -0.213 3.748 3.960 0.001 0.000 0.180 50 G C 0.025 174.831 174.900 -0.156 0.000 1.004 50 G CA -0.193 44.837 45.100 -0.118 0.000 0.670 50 G HN 0.257 nan 8.290 nan 0.000 0.496 51 L N 1.810 122.947 121.223 -0.143 0.000 2.426 51 L HA 0.765 5.105 4.340 0.001 0.000 0.271 51 L C 0.382 177.150 176.870 -0.170 0.000 1.169 51 L CA -0.248 54.524 54.840 -0.113 0.000 0.836 51 L CB 0.440 42.466 42.059 -0.054 0.000 1.112 51 L HN 0.207 nan 8.230 nan 0.000 0.465 52 R N 3.859 124.298 120.500 -0.101 0.000 2.795 52 R HA 0.514 4.854 4.340 0.001 0.000 0.275 52 R C -2.588 173.698 176.300 -0.022 0.000 0.981 52 R CA -2.375 53.682 56.100 -0.072 0.000 0.917 52 R CB 1.065 31.318 30.300 -0.079 0.000 1.202 52 R HN 0.372 nan 8.270 nan 0.000 0.469 53 P HA -0.040 nan 4.420 nan 0.000 0.264 53 P C -0.082 177.203 177.300 -0.025 0.000 1.179 53 P CA 0.612 63.704 63.100 -0.013 0.000 0.763 53 P CB 0.482 32.179 31.700 -0.006 0.000 0.806 54 Q N -1.235 118.542 119.800 -0.037 0.000 2.282 54 Q HA -0.242 4.098 4.340 0.001 0.000 0.182 54 Q C -0.148 175.833 176.000 -0.033 0.000 0.609 54 Q CA 1.309 57.090 55.803 -0.037 0.000 1.397 54 Q CB -1.708 27.013 28.738 -0.029 0.000 1.458 54 Q HN 0.695 nan 8.270 nan 0.000 0.852 55 Q N 0.962 120.743 119.800 -0.032 0.000 2.337 55 Q HA 0.185 4.526 4.340 0.001 0.000 0.270 55 Q C 0.082 176.064 176.000 -0.031 0.000 1.002 55 Q CA 0.351 56.137 55.803 -0.028 0.000 0.888 55 Q CB 0.520 29.240 28.738 -0.030 0.000 1.222 55 Q HN 0.108 nan 8.270 nan 0.000 0.400 56 R N 1.188 121.675 120.500 -0.022 0.000 2.349 56 R HA 0.440 4.780 4.340 0.001 0.000 0.299 56 R C -0.899 175.393 176.300 -0.013 0.000 1.027 56 R CA -0.462 55.626 56.100 -0.020 0.000 0.958 56 R CB 1.034 31.331 30.300 -0.004 0.000 1.047 56 R HN 0.291 nan 8.270 nan 0.000 0.468 57 V N 2.404 122.307 119.914 -0.018 0.000 2.482 57 V HA 0.358 4.478 4.120 0.001 0.000 0.295 57 V C 0.010 176.099 176.094 -0.009 0.000 1.026 57 V CA -0.982 61.312 62.300 -0.011 0.000 0.856 57 V CB 1.658 33.473 31.823 -0.014 0.000 1.001 57 V HN 0.951 nan 8.190 nan 0.000 0.424 58 A N 4.721 127.541 122.820 0.001 0.000 2.425 58 A HA 0.672 4.993 4.320 0.001 0.000 0.249 58 A C -0.312 177.264 177.584 -0.015 0.000 1.084 58 A CA -0.141 51.894 52.037 -0.003 0.000 0.781 58 A CB 0.607 19.603 19.000 -0.007 0.000 1.019 58 A HN 0.782 nan 8.150 nan 0.000 0.490 59 V N 3.101 122.997 119.914 -0.031 0.000 2.407 59 V HA 0.424 4.545 4.120 0.001 0.000 0.291 59 V C -0.633 175.436 176.094 -0.042 0.000 1.018 59 V CA -0.371 61.913 62.300 -0.027 0.000 0.842 59 V CB 1.569 33.370 31.823 -0.036 0.000 0.996 59 V HN 0.643 nan 8.190 nan 0.000 0.426 60 V N 3.683 123.578 119.914 -0.032 0.000 2.327 60 V HA 0.904 5.025 4.120 0.001 0.000 0.272 60 V C 0.075 176.148 176.094 -0.035 0.000 1.019 60 V CA -0.270 61.992 62.300 -0.063 0.000 0.814 60 V CB 0.932 32.715 31.823 -0.066 0.000 1.040 60 V HN 1.013 nan 8.190 nan 0.000 0.440 61 A N 5.792 128.598 122.820 -0.024 0.000 2.589 61 A HA 0.982 5.303 4.320 0.001 0.000 0.296 61 A C -3.161 174.458 177.584 0.058 0.000 1.062 61 A CA -1.224 50.820 52.037 0.011 0.000 0.686 61 A CB 2.117 21.134 19.000 0.028 0.000 1.282 61 A HN 0.453 nan 8.150 nan 0.000 0.404 62 P HA 0.226 nan 4.420 nan 0.000 0.274 62 P C -0.626 176.748 177.300 0.124 0.000 1.256 62 P CA -0.443 62.734 63.100 0.127 0.000 0.795 62 P CB 0.359 32.114 31.700 0.091 0.000 1.038 63 N N 0.012 118.794 118.700 0.137 0.000 2.412 63 N HA 0.218 4.959 4.740 0.001 0.000 0.258 63 N C 0.163 175.734 175.510 0.102 0.000 1.236 63 N CA 0.609 53.731 53.050 0.120 0.000 0.882 63 N CB -0.271 38.286 38.487 0.117 0.000 1.066 63 N HN 0.516 nan 8.380 nan 0.000 0.465 64 S N -0.695 115.067 115.700 0.103 0.000 2.595 64 S HA 0.630 5.101 4.470 0.001 0.000 0.270 64 S C 0.461 175.115 174.600 0.090 0.000 1.145 64 S CA -0.398 57.853 58.200 0.085 0.000 0.825 64 S CB 0.787 64.022 63.200 0.058 0.000 1.107 64 S HN 0.395 nan 8.310 nan 0.000 0.461 65 A N 0.832 123.698 122.820 0.076 0.000 1.972 65 A HA -0.019 4.301 4.320 0.001 0.000 0.219 65 A C 1.586 179.196 177.584 0.044 0.000 1.169 65 A CA 1.943 54.018 52.037 0.064 0.000 0.635 65 A CB -1.063 17.967 19.000 0.050 0.000 0.810 65 A HN 0.829 nan 8.150 nan 0.000 0.446 66 D N -0.613 119.813 120.400 0.042 0.000 2.117 66 D HA -0.103 4.537 4.640 0.001 0.000 0.198 66 D C 1.970 178.294 176.300 0.041 0.000 0.982 66 D CA 1.379 55.401 54.000 0.038 0.000 0.828 66 D CB -0.460 40.361 40.800 0.034 0.000 0.967 66 D HN 0.212 nan 8.370 nan 0.000 0.464 67 V N 0.515 120.457 119.914 0.046 0.000 2.548 67 V HA -0.165 3.955 4.120 0.001 0.000 0.249 67 V C 2.400 178.522 176.094 0.046 0.000 1.055 67 V CA 0.896 63.224 62.300 0.048 0.000 1.065 67 V CB -0.042 31.814 31.823 0.055 0.000 0.681 67 V HN -0.022 nan 8.190 nan 0.000 0.462 68 V N 0.356 120.293 119.914 0.038 0.000 2.255 68 V HA -0.309 3.812 4.120 0.001 0.000 0.247 68 V C 2.248 178.358 176.094 0.027 0.000 1.051 68 V CA 2.748 65.055 62.300 0.011 0.000 1.018 68 V CB -0.565 31.229 31.823 -0.048 0.000 0.641 68 V HN 0.513 nan 8.190 nan 0.000 0.445 69 I N 0.297 120.882 120.570 0.026 0.000 2.208 69 I HA -0.262 3.909 4.170 0.001 0.000 0.245 69 I C 2.638 178.783 176.117 0.046 0.000 1.097 69 I CA 1.585 62.904 61.300 0.031 0.000 1.363 69 I CB -0.601 37.414 38.000 0.025 0.000 1.051 69 I HN 0.296 nan 8.210 nan 0.000 0.413 70 A N 0.938 123.785 122.820 0.046 0.000 1.877 70 A HA -0.155 4.166 4.320 0.001 0.000 0.216 70 A C 2.290 179.911 177.584 0.060 0.000 1.186 70 A CA 1.491 53.556 52.037 0.047 0.000 0.620 70 A CB -0.812 18.213 19.000 0.042 0.000 0.822 70 A HN 0.370 nan 8.150 nan 0.000 0.443 71 I N -0.262 120.350 120.570 0.071 0.000 2.226 71 I HA -0.254 3.917 4.170 0.001 0.000 0.245 71 I C 2.257 178.487 176.117 0.187 0.000 1.100 71 I CA 1.166 62.525 61.300 0.098 0.000 1.374 71 I CB -0.290 37.757 38.000 0.078 0.000 1.057 71 I HN 0.270 nan 8.210 nan 0.000 0.413 72 L N 0.196 121.529 121.223 0.183 0.000 2.217 72 L HA -0.094 4.247 4.340 0.001 0.000 0.211 72 L C 2.758 179.736 176.870 0.179 0.000 1.107 72 L CA 0.886 55.863 54.840 0.228 0.000 0.783 72 L CB -0.680 41.472 42.059 0.155 0.000 0.919 72 L HN 0.220 nan 8.230 nan 0.000 0.442 73 A N 0.382 123.266 122.820 0.108 0.000 1.897 73 A HA -0.107 4.213 4.320 0.001 0.000 0.215 73 A C 2.255 179.874 177.584 0.058 0.000 1.181 73 A CA 1.064 53.139 52.037 0.064 0.000 0.620 73 A CB -0.552 18.469 19.000 0.036 0.000 0.821 73 A HN 0.296 nan 8.150 nan 0.000 0.443 74 L N -1.323 119.941 121.223 0.069 0.000 1.989 74 L HA -0.267 4.074 4.340 0.001 0.000 0.211 74 L C 2.692 179.594 176.870 0.052 0.000 1.071 74 L CA 2.025 56.893 54.840 0.046 0.000 0.749 74 L CB -0.708 41.372 42.059 0.035 0.000 0.890 74 L HN 0.646 nan 8.230 nan 0.000 0.431 75 H N 0.091 119.164 119.070 0.004 0.000 2.353 75 H HA -0.218 4.338 4.556 0.001 0.000 0.300 75 H C 2.284 177.615 175.328 0.005 0.000 1.090 75 H CA 1.971 58.003 56.048 -0.027 0.000 1.327 75 H CB 0.019 29.856 29.762 0.126 0.000 1.383 75 H HN 0.038 nan 8.280 nan 0.000 0.508 76 R N 0.653 121.129 120.500 -0.040 0.000 2.091 76 R HA -0.099 4.241 4.340 0.001 0.000 0.238 76 R C 2.492 178.731 176.300 -0.102 0.000 1.136 76 R CA 1.802 57.843 56.100 -0.098 0.000 0.959 76 R CB -1.167 29.129 30.300 -0.006 0.000 0.856 76 R HN 0.558 nan 8.270 nan 0.000 0.437 77 L N -1.484 119.708 121.223 -0.052 0.000 2.083 77 L HA 0.056 4.397 4.340 0.001 0.000 0.209 77 L C 1.172 178.016 176.870 -0.043 0.000 1.083 77 L CA 1.860 56.687 54.840 -0.022 0.000 0.752 77 L CB -0.172 41.903 42.059 0.026 0.000 0.899 77 L HN 0.593 nan 8.230 nan 0.000 0.433 78 G N -1.716 107.029 108.800 -0.092 0.000 2.205 78 G HA2 -0.162 3.798 3.960 0.001 0.000 0.180 78 G HA3 -0.162 3.798 3.960 0.001 0.000 0.180 78 G C 0.356 175.209 174.900 -0.078 0.000 1.004 78 G CA -0.028 45.008 45.100 -0.106 0.000 0.670 78 G HN 0.740 nan 8.290 nan 0.000 0.496 79 A N -0.087 122.699 122.820 -0.058 0.000 2.406 79 A HA 0.639 4.959 4.320 0.001 0.000 0.243 79 A C 0.586 178.112 177.584 -0.096 0.000 1.082 79 A CA 0.472 52.475 52.037 -0.057 0.000 0.786 79 A CB 0.809 19.787 19.000 -0.036 0.000 1.029 79 A HN 1.104 nan 8.150 nan 0.000 0.495 80 V N 3.807 123.660 119.914 -0.101 0.000 2.334 80 V HA 0.259 4.380 4.120 0.001 0.000 0.267 80 V C -2.260 173.756 176.094 -0.130 0.000 1.040 80 V CA -1.329 60.878 62.300 -0.156 0.000 0.866 80 V CB 0.807 32.563 31.823 -0.111 0.000 1.019 80 V HN 0.708 nan 8.190 nan 0.000 0.468 81 P HA 0.276 nan 4.420 nan 0.000 0.271 81 P C -0.558 176.663 177.300 -0.132 0.000 1.220 81 P CA 0.055 63.094 63.100 -0.103 0.000 0.768 81 P CB 0.807 32.473 31.700 -0.057 0.000 0.848 82 A N 5.120 127.887 122.820 -0.088 0.000 2.316 82 A HA 0.443 4.764 4.320 0.001 0.000 0.324 82 A C -0.259 177.303 177.584 -0.036 0.000 1.375 82 A CA -0.676 51.338 52.037 -0.039 0.000 0.882 82 A CB -0.183 18.883 19.000 0.110 0.000 1.152 82 A HN 0.473 nan 8.150 nan 0.000 0.512 83 L N 3.315 124.422 121.223 -0.193 0.000 2.290 83 L HA 0.442 4.783 4.340 0.001 0.000 0.284 83 L C -0.531 176.349 176.870 0.017 0.000 1.078 83 L CA -0.096 54.648 54.840 -0.160 0.000 0.815 83 L CB 0.810 42.650 42.059 -0.365 0.000 1.162 83 L HN 0.570 nan 8.230 nan 0.000 0.435 84 L N 3.297 124.478 121.223 -0.070 0.000 2.362 84 L HA 0.385 4.725 4.340 0.001 0.000 0.271 84 L C 0.161 176.787 176.870 -0.407 0.000 1.002 84 L CA -0.727 53.996 54.840 -0.194 0.000 0.818 84 L CB 2.019 43.922 42.059 -0.260 0.000 1.298 84 L HN 0.519 nan 8.230 nan 0.000 0.420 85 N N 4.578 122.939 118.700 -0.565 0.000 2.434 85 N HA 0.035 4.776 4.740 0.001 0.000 0.268 85 N C -1.682 173.489 175.510 -0.566 0.000 1.256 85 N CA -1.243 51.182 53.050 -1.041 0.000 0.914 85 N CB 1.088 39.256 38.487 -0.531 0.000 1.088 85 N HN 0.337 nan 8.380 nan 0.000 0.478 86 P HA -0.062 nan 4.420 nan 0.000 0.234 86 P C 0.410 177.633 177.300 -0.128 0.000 1.167 86 P CA 0.877 63.835 63.100 -0.236 0.000 0.763 86 P CB 0.332 31.938 31.700 -0.156 0.000 0.835 87 R N -0.761 119.670 120.500 -0.116 0.000 2.275 87 R HA 0.165 4.506 4.340 0.001 0.000 0.199 87 R C 1.123 177.474 176.300 0.083 0.000 0.989 87 R CA -0.028 56.093 56.100 0.036 0.000 1.016 87 R CB -0.378 29.996 30.300 0.123 0.000 0.918 87 R HN 0.252 nan 8.270 nan 0.000 0.473 88 L N 1.661 122.896 121.223 0.021 0.000 2.461 88 L HA 0.074 4.415 4.340 0.001 0.000 0.272 88 L C 0.489 177.345 176.870 -0.023 0.000 1.197 88 L CA 0.155 54.999 54.840 0.006 0.000 0.836 88 L CB 0.359 42.394 42.059 -0.041 0.000 1.105 88 L HN -0.021 nan 8.230 nan 0.000 0.477 89 K N 0.223 120.606 120.400 -0.029 0.000 2.127 89 K HA 0.146 4.466 4.320 0.001 0.000 0.240 89 K C 1.219 177.797 176.600 -0.036 0.000 1.024 89 K CA 0.001 56.269 56.287 -0.032 0.000 0.918 89 K CB 1.083 33.560 32.500 -0.039 0.000 1.108 89 K HN 0.704 nan 8.250 nan 0.000 0.485 90 S N 0.161 115.844 115.700 -0.028 0.000 2.368 90 S HA -0.217 4.254 4.470 0.001 0.000 0.225 90 S C 2.074 176.659 174.600 -0.026 0.000 1.030 90 S CA 1.208 59.396 58.200 -0.021 0.000 0.999 90 S CB -0.498 62.698 63.200 -0.007 0.000 0.844 90 S HN 0.629 nan 8.310 nan 0.000 0.459 91 A N 1.804 124.606 122.820 -0.030 0.000 1.877 91 A HA -0.108 4.212 4.320 0.001 0.000 0.216 91 A C 2.235 179.796 177.584 -0.037 0.000 1.186 91 A CA 1.686 53.705 52.037 -0.030 0.000 0.620 91 A CB -0.995 17.985 19.000 -0.032 0.000 0.822 91 A HN 0.708 nan 8.150 nan 0.000 0.443 92 E N -0.185 119.988 120.200 -0.045 0.000 2.051 92 E HA -0.172 4.179 4.350 0.001 0.000 0.192 92 E C 1.980 178.535 176.600 -0.076 0.000 0.991 92 E CA 1.186 57.553 56.400 -0.055 0.000 0.799 92 E CB -0.233 29.433 29.700 -0.057 0.000 0.748 92 E HN 0.613 nan 8.360 nan 0.000 0.449 93 L N 0.407 121.583 121.223 -0.080 0.000 1.989 93 L HA -0.217 4.123 4.340 0.001 0.000 0.211 93 L C 2.720 179.548 176.870 -0.070 0.000 1.071 93 L CA 1.325 56.107 54.840 -0.096 0.000 0.749 93 L CB -0.576 41.436 42.059 -0.079 0.000 0.890 93 L HN 0.239 nan 8.230 nan 0.000 0.431 94 A N -0.310 122.484 122.820 -0.042 0.000 1.902 94 A HA -0.260 4.061 4.320 0.001 0.000 0.217 94 A C 2.187 179.754 177.584 -0.028 0.000 1.181 94 A CA 1.993 54.014 52.037 -0.026 0.000 0.623 94 A CB -0.477 18.514 19.000 -0.015 0.000 0.818 94 A HN 0.408 nan 8.150 nan 0.000 0.443 95 E N 0.111 120.292 120.200 -0.031 0.000 2.106 95 E HA -0.072 4.278 4.350 0.001 0.000 0.192 95 E C 1.820 178.411 176.600 -0.014 0.000 0.984 95 E CA 1.018 57.405 56.400 -0.021 0.000 0.806 95 E CB -0.388 29.300 29.700 -0.020 0.000 0.750 95 E HN 0.595 nan 8.360 nan 0.000 0.458 96 L N -0.062 121.138 121.223 -0.038 0.000 2.046 96 L HA -0.125 4.215 4.340 0.001 0.000 0.208 96 L C 2.429 179.304 176.870 0.008 0.000 1.077 96 L CA 0.977 55.798 54.840 -0.032 0.000 0.747 96 L CB -0.350 41.596 42.059 -0.189 0.000 0.896 96 L HN 0.198 nan 8.230 nan 0.000 0.432 97 I N -0.224 120.334 120.570 -0.020 0.000 2.226 97 I HA -0.314 3.857 4.170 0.001 0.000 0.245 97 I C 2.695 178.822 176.117 0.017 0.000 1.100 97 I CA 1.326 62.628 61.300 0.004 0.000 1.374 97 I CB -0.252 37.741 38.000 -0.012 0.000 1.057 97 I HN 0.226 nan 8.210 nan 0.000 0.413 98 K N 1.129 121.533 120.400 0.006 0.000 2.026 98 K HA -0.165 4.156 4.320 0.001 0.000 0.208 98 K C 2.315 178.926 176.600 0.019 0.000 1.048 98 K CA 1.396 57.686 56.287 0.004 0.000 0.929 98 K CB -0.029 32.466 32.500 -0.008 0.000 0.713 98 K HN 0.160 nan 8.250 nan 0.000 0.439 99 R N -0.682 119.837 120.500 0.031 0.000 2.152 99 R HA -0.064 4.277 4.340 0.001 0.000 0.232 99 R C 2.130 178.468 176.300 0.064 0.000 1.117 99 R CA 1.143 57.271 56.100 0.047 0.000 0.981 99 R CB -0.167 30.169 30.300 0.060 0.000 0.870 99 R HN 0.332 nan 8.270 nan 0.000 0.451 100 G N 0.121 108.969 108.800 0.079 0.000 2.920 100 G HA2 -0.108 3.853 3.960 0.001 0.000 0.208 100 G HA3 -0.108 3.853 3.960 0.001 0.000 0.208 100 G C -0.146 174.784 174.900 0.050 0.000 1.159 100 G CA -0.199 44.953 45.100 0.087 0.000 0.784 100 G HN 0.274 nan 8.290 nan 0.000 0.535 101 E N -0.308 119.912 120.200 0.034 0.000 2.360 101 E HA -0.172 4.179 4.350 0.001 0.000 0.238 101 E C 0.499 177.108 176.600 0.015 0.000 1.186 101 E CA 0.187 56.598 56.400 0.019 0.000 0.719 101 E CB -1.129 28.580 29.700 0.015 0.000 1.236 101 E HN 0.388 nan 8.360 nan 0.000 0.386 102 M N -0.405 119.207 119.600 0.020 0.000 2.245 102 M HA 0.027 4.507 4.480 0.001 0.000 0.344 102 M C 1.601 177.904 176.300 0.005 0.000 1.170 102 M CA 0.758 56.067 55.300 0.015 0.000 1.135 102 M CB 0.428 33.039 32.600 0.020 0.000 1.574 102 M HN 0.002 nan 8.290 nan 0.000 0.452 103 T N 1.380 115.933 114.554 -0.001 0.000 2.896 103 T HA 0.218 4.569 4.350 0.001 0.000 0.263 103 T C 0.722 175.421 174.700 -0.002 0.000 1.050 103 T CA 1.097 63.194 62.100 -0.005 0.000 1.140 103 T CB 0.173 69.033 68.868 -0.014 0.000 0.877 103 T HN 0.815 nan 8.240 nan 0.000 0.457 104 A N -0.005 122.815 122.820 -0.001 0.000 2.594 104 A HA 0.842 5.162 4.320 0.001 0.000 0.291 104 A C -1.692 175.895 177.584 0.005 0.000 1.105 104 A CA -0.609 51.429 52.037 0.002 0.000 0.694 104 A CB 1.264 20.263 19.000 -0.001 0.000 1.291 104 A HN 0.342 nan 8.150 nan 0.000 0.410 105 A N 0.414 123.239 122.820 0.009 0.000 2.357 105 A HA 0.622 4.943 4.320 0.001 0.000 0.295 105 A C -1.036 176.565 177.584 0.028 0.000 1.121 105 A CA -0.386 51.659 52.037 0.014 0.000 0.742 105 A CB 1.028 20.036 19.000 0.014 0.000 1.181 105 A HN 1.331 nan 8.150 nan 0.000 0.454 106 V N 4.820 124.752 119.914 0.030 0.000 2.368 106 V HA 0.381 4.502 4.120 0.001 0.000 0.266 106 V C 0.138 176.270 176.094 0.064 0.000 1.045 106 V CA 0.038 62.370 62.300 0.053 0.000 0.899 106 V CB 0.097 31.944 31.823 0.041 0.000 1.006 106 V HN 0.740 nan 8.190 nan 0.000 0.470 107 I N 2.088 122.729 120.570 0.117 0.000 2.569 107 I HA 0.899 5.069 4.170 0.001 0.000 0.296 107 I C 0.399 176.579 176.117 0.105 0.000 1.028 107 I CA -0.733 60.633 61.300 0.110 0.000 1.082 107 I CB 2.347 40.426 38.000 0.132 0.000 1.264 107 I HN 0.444 nan 8.210 nan 0.000 0.429 108 A N 4.470 127.304 122.820 0.024 0.000 2.564 108 A HA 0.411 4.731 4.320 0.001 0.000 0.279 108 A C 0.976 178.516 177.584 -0.073 0.000 1.232 108 A CA 0.407 52.418 52.037 -0.044 0.000 0.950 108 A CB -0.161 18.823 19.000 -0.026 0.000 1.138 108 A HN 0.964 nan 8.150 nan 0.000 0.526 109 V N -3.741 116.151 119.914 -0.037 0.000 3.376 109 V HA 0.607 4.728 4.120 0.001 0.000 0.313 109 V C 0.777 176.855 176.094 -0.026 0.000 1.393 109 V CA 0.122 62.401 62.300 -0.034 0.000 1.125 109 V CB -1.062 30.747 31.823 -0.023 0.000 1.037 109 V HN 1.489 nan 8.190 nan 0.000 0.440 110 G N 1.312 110.083 108.800 -0.048 0.000 2.631 110 G HA2 -0.173 3.788 3.960 0.001 0.000 0.504 110 G HA3 -0.173 3.788 3.960 0.001 0.000 0.504 110 G C 0.153 175.134 174.900 0.135 0.000 1.306 110 G CA 0.045 45.123 45.100 -0.036 0.000 0.897 110 G HN 0.292 nan 8.290 nan 0.000 0.520 111 R N -0.191 120.387 120.500 0.131 0.000 2.115 111 R HA 0.005 4.345 4.340 0.001 0.000 0.226 111 R C 2.846 179.207 176.300 0.101 0.000 1.100 111 R CA 1.912 58.115 56.100 0.173 0.000 0.980 111 R CB -0.200 30.181 30.300 0.134 0.000 0.875 111 R HN 0.662 nan 8.270 nan 0.000 0.445 112 Q N 0.017 119.856 119.800 0.064 0.000 2.084 112 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 112 Q C 2.175 178.205 176.000 0.050 0.000 0.978 112 Q CA 1.532 57.362 55.803 0.045 0.000 0.844 112 Q CB 0.003 28.755 28.738 0.023 0.000 0.898 112 Q HN 0.169 nan 8.270 nan 0.000 0.426 113 V N 0.952 120.897 119.914 0.053 0.000 2.295 113 V HA -0.283 3.837 4.120 0.001 0.000 0.246 113 V C 2.302 178.439 176.094 0.070 0.000 1.049 113 V CA 1.788 64.117 62.300 0.049 0.000 1.024 113 V CB -1.037 30.810 31.823 0.039 0.000 0.648 113 V HN 0.401 nan 8.190 nan 0.000 0.447 114 A N 0.167 123.050 122.820 0.105 0.000 1.892 114 A HA -0.355 3.965 4.320 0.001 0.000 0.218 114 A C 2.052 179.690 177.584 0.091 0.000 1.188 114 A CA 2.523 54.613 52.037 0.088 0.000 0.631 114 A CB -0.823 18.227 19.000 0.084 0.000 0.822 114 A HN 0.620 nan 8.150 nan 0.000 0.447 115 D N -0.703 119.752 120.400 0.091 0.000 2.117 115 D HA 0.008 4.649 4.640 0.001 0.000 0.198 115 D C 2.038 178.424 176.300 0.142 0.000 0.982 115 D CA 1.505 55.581 54.000 0.128 0.000 0.828 115 D CB -0.191 40.663 40.800 0.090 0.000 0.967 115 D HN 0.357 nan 8.370 nan 0.000 0.464 116 A N 0.116 122.986 122.820 0.082 0.000 1.902 116 A HA -0.131 4.189 4.320 0.001 0.000 0.217 116 A C 2.360 179.970 177.584 0.043 0.000 1.181 116 A CA 1.216 53.282 52.037 0.049 0.000 0.623 116 A CB -0.802 18.211 19.000 0.023 0.000 0.818 116 A HN 0.375 nan 8.150 nan 0.000 0.443 117 I N -1.895 118.711 120.570 0.060 0.000 2.142 117 I HA -0.238 3.933 4.170 0.001 0.000 0.240 117 I C 2.352 178.511 176.117 0.070 0.000 1.078 117 I CA 1.725 63.055 61.300 0.050 0.000 1.343 117 I CB -0.423 37.608 38.000 0.052 0.000 1.046 117 I HN 0.449 nan 8.210 nan 0.000 0.405 118 F N 1.926 121.863 119.950 -0.022 0.000 2.065 118 F HA -0.298 4.230 4.527 0.001 0.000 0.298 118 F C 2.641 178.430 175.800 -0.018 0.000 1.112 118 F CA 1.785 59.771 58.000 -0.023 0.000 1.212 118 F CB -0.426 38.558 39.000 -0.028 0.000 0.975 118 F HN 0.068 nan 8.300 nan 0.000 0.476 119 Q N 0.244 119.966 119.800 -0.130 0.000 2.291 119 Q HA -0.120 4.220 4.340 0.001 0.000 0.205 119 Q C 2.443 178.329 176.000 -0.190 0.000 0.970 119 Q CA 1.334 57.004 55.803 -0.223 0.000 0.876 119 Q CB -0.922 27.798 28.738 -0.030 0.000 0.935 119 Q HN 0.633 nan 8.270 nan 0.000 0.455 120 S N -0.632 114.992 115.700 -0.126 0.000 2.474 120 S HA 0.000 4.471 4.470 0.001 0.000 0.235 120 S C 1.593 176.121 174.600 -0.120 0.000 0.997 120 S CA 0.927 59.071 58.200 -0.094 0.000 0.949 120 S CB -0.264 62.904 63.200 -0.053 0.000 0.766 120 S HN 0.494 nan 8.310 nan 0.000 0.517 121 G N 1.080 109.766 108.800 -0.190 0.000 2.162 121 G HA2 -0.363 3.598 3.960 0.001 0.000 0.260 121 G HA3 -0.363 3.598 3.960 0.001 0.000 0.260 121 G C 1.041 175.877 174.900 -0.107 0.000 0.976 121 G CA 1.023 46.013 45.100 -0.182 0.000 0.655 121 G HN 1.337 nan 8.290 nan 0.000 0.533 122 S N -0.605 115.049 115.700 -0.077 0.000 2.419 122 S HA 0.240 4.711 4.470 0.001 0.000 0.235 122 S C 2.674 177.257 174.600 -0.027 0.000 1.019 122 S CA 1.735 59.911 58.200 -0.039 0.000 0.982 122 S CB -0.396 62.791 63.200 -0.022 0.000 0.789 122 S HN 2.451 nan 8.310 nan 0.000 0.490 123 G N 1.046 109.829 108.800 -0.028 0.000 2.179 123 G HA2 -0.156 3.805 3.960 0.001 0.000 0.260 123 G HA3 -0.156 3.805 3.960 0.001 0.000 0.260 123 G C 0.267 175.176 174.900 0.014 0.000 0.977 123 G CA 0.140 45.238 45.100 -0.004 0.000 0.641 123 G HN 1.491 nan 8.290 nan 0.000 0.533 124 A N 0.367 123.194 122.820 0.012 0.000 2.524 124 A HA 0.558 4.879 4.320 0.001 0.000 0.250 124 A C 0.844 178.443 177.584 0.025 0.000 1.078 124 A CA 0.801 52.847 52.037 0.015 0.000 0.761 124 A CB 0.069 19.076 19.000 0.012 0.000 1.012 124 A HN 0.788 nan 8.150 nan 0.000 0.500 125 R N 2.374 122.883 120.500 0.015 0.000 2.442 125 R HA 0.326 4.667 4.340 0.001 0.000 0.291 125 R C -0.804 175.493 176.300 -0.005 0.000 1.069 125 R CA -0.076 56.029 56.100 0.008 0.000 1.022 125 R CB 0.060 30.361 30.300 0.000 0.000 0.976 125 R HN 0.647 nan 8.270 nan 0.000 0.443 126 I N 6.204 126.757 120.570 -0.029 0.000 2.371 126 I HA 0.216 4.386 4.170 0.001 0.000 0.290 126 I C -0.087 175.969 176.117 -0.102 0.000 1.028 126 I CA 0.004 61.267 61.300 -0.062 0.000 1.345 126 I CB 1.163 39.101 38.000 -0.104 0.000 1.407 126 I HN 0.485 nan 8.210 nan 0.000 0.501 127 I N 6.395 126.940 120.570 -0.042 0.000 2.410 127 I HA 0.296 4.466 4.170 0.001 0.000 0.286 127 I C -0.673 175.511 176.117 0.113 0.000 1.009 127 I CA -0.614 60.684 61.300 -0.004 0.000 1.111 127 I CB 1.169 39.188 38.000 0.032 0.000 1.262 127 I HN 0.263 nan 8.210 nan 0.000 0.443 128 F N 5.689 125.648 119.950 0.015 0.000 2.504 128 F HA 0.077 4.605 4.527 0.001 0.000 0.369 128 F C 0.989 176.799 175.800 0.016 0.000 1.082 128 F CA -0.460 57.546 58.000 0.010 0.000 1.216 128 F CB 0.729 39.732 39.000 0.005 0.000 1.108 128 F HN 0.416 nan 8.300 nan 0.000 0.554 129 L N 4.401 125.743 121.223 0.199 0.000 2.043 129 L HA -0.096 4.245 4.340 0.001 0.000 0.212 129 L C 2.196 179.121 176.870 0.092 0.000 1.075 129 L CA 2.292 57.195 54.840 0.106 0.000 0.752 129 L CB -1.237 40.858 42.059 0.059 0.000 0.891 129 L HN 0.723 nan 8.230 nan 0.000 0.432 130 G N -1.684 107.159 108.800 0.071 0.000 2.559 130 G HA2 -0.204 3.756 3.960 0.001 0.000 0.216 130 G HA3 -0.204 3.756 3.960 0.001 0.000 0.216 130 G C 1.122 176.071 174.900 0.082 0.000 1.126 130 G CA 0.716 45.845 45.100 0.048 0.000 0.778 130 G HN 0.441 nan 8.290 nan 0.000 0.543 131 D N -0.171 120.314 120.400 0.141 0.000 2.348 131 D HA 0.101 4.742 4.640 0.001 0.000 0.211 131 D C 2.386 178.780 176.300 0.156 0.000 0.998 131 D CA 0.108 54.191 54.000 0.139 0.000 0.873 131 D CB 0.418 41.319 40.800 0.170 0.000 0.925 131 D HN 0.313 nan 8.370 nan 0.000 0.524 132 L N -0.538 120.762 121.223 0.129 0.000 2.200 132 L HA 0.169 4.510 4.340 0.001 0.000 0.200 132 L C 0.598 177.528 176.870 0.100 0.000 1.072 132 L CA 0.284 55.189 54.840 0.109 0.000 0.787 132 L CB 0.789 42.891 42.059 0.072 0.000 0.957 132 L HN -0.178 nan 8.230 nan 0.000 0.459 133 V N -0.231 119.731 119.914 0.081 0.000 2.924 133 V HA 0.472 4.593 4.120 0.001 0.000 0.300 133 V C -1.658 174.467 176.094 0.051 0.000 1.227 133 V CA -0.533 61.806 62.300 0.065 0.000 0.954 133 V CB 2.381 34.233 31.823 0.048 0.000 1.055 133 V HN 0.237 nan 8.190 nan 0.000 0.429 134 R N 4.255 124.782 120.500 0.044 0.000 2.515 134 R HA 0.465 4.806 4.340 0.001 0.000 0.291 134 R C -0.737 175.578 176.300 0.025 0.000 1.046 134 R CA -0.151 55.967 56.100 0.029 0.000 0.914 134 R CB 1.311 31.623 30.300 0.021 0.000 1.191 134 R HN 0.903 nan 8.270 nan 0.000 0.435 135 D N 3.260 123.672 120.400 0.021 0.000 2.708 135 D HA -0.203 4.438 4.640 0.001 0.000 0.236 135 D C 0.688 177.001 176.300 0.021 0.000 1.146 135 D CA 1.813 55.824 54.000 0.019 0.000 0.662 135 D CB -0.808 40.001 40.800 0.014 0.000 1.059 135 D HN 1.088 nan 8.370 nan 0.000 0.428 136 G N 0.001 108.816 108.800 0.025 0.000 2.225 136 G HA2 -0.360 3.601 3.960 0.001 0.000 0.254 136 G HA3 -0.360 3.601 3.960 0.001 0.000 0.254 136 G C 0.145 175.062 174.900 0.028 0.000 0.988 136 G CA 0.601 45.715 45.100 0.024 0.000 0.625 136 G HN 0.523 nan 8.290 nan 0.000 0.527 137 E N 2.111 122.332 120.200 0.034 0.000 2.081 137 E HA 0.589 4.940 4.350 0.001 0.000 0.281 137 E C -2.288 174.349 176.600 0.062 0.000 0.986 137 E CA -2.323 54.104 56.400 0.044 0.000 0.796 137 E CB 1.320 31.046 29.700 0.044 0.000 1.085 137 E HN 0.257 nan 8.360 nan 0.000 0.398 138 P HA 0.089 nan 4.420 nan 0.000 0.281 138 P C -1.392 175.995 177.300 0.145 0.000 1.249 138 P CA -0.425 62.721 63.100 0.077 0.000 0.810 138 P CB 0.303 32.022 31.700 0.030 0.000 1.008 139 Y N 1.717 122.026 120.300 0.015 0.000 2.452 139 Y HA 0.347 4.897 4.550 0.001 0.000 0.348 139 Y C -0.488 175.410 175.900 -0.004 0.000 0.985 139 Y CA -0.241 57.885 58.100 0.042 0.000 1.214 139 Y CB 0.146 38.655 38.460 0.082 0.000 1.136 139 Y HN 0.198 nan 8.280 nan 0.000 0.523 140 S N 7.864 123.436 115.700 -0.214 0.000 2.456 140 S HA 0.597 5.068 4.470 0.001 0.000 0.316 140 S C -1.450 173.002 174.600 -0.246 0.000 1.089 140 S CA -0.519 57.531 58.200 -0.249 0.000 1.101 140 S CB 0.368 63.511 63.200 -0.095 0.000 0.995 140 S HN 0.662 nan 8.310 nan 0.000 0.468 141 Y N -0.692 119.448 120.300 -0.266 0.000 2.670 141 Y HA 0.841 5.392 4.550 0.001 0.000 0.334 141 Y C -0.108 175.729 175.900 -0.106 0.000 1.185 141 Y CA -0.769 57.214 58.100 -0.195 0.000 1.053 141 Y CB 0.616 38.926 38.460 -0.250 0.000 1.298 141 Y HN 1.030 nan 8.280 nan 0.000 0.459 142 G N 1.251 110.153 108.800 0.171 0.000 2.675 142 G HA2 0.147 4.108 3.960 0.001 0.000 0.686 142 G HA3 0.147 4.108 3.960 0.001 0.000 0.686 142 G C -3.028 171.889 174.900 0.028 0.000 1.215 142 G CA -0.812 44.349 45.100 0.103 0.000 0.777 142 G HN 0.715 nan 8.290 nan 0.000 0.638 143 P HA 0.484 nan 4.420 nan 0.000 0.274 143 P C -2.420 174.854 177.300 -0.042 0.000 1.246 143 P CA -1.077 62.019 63.100 -0.007 0.000 0.795 143 P CB -0.307 31.393 31.700 -0.001 0.000 1.006 144 P HA 0.108 nan 4.420 nan 0.000 0.266 144 P C -0.164 177.061 177.300 -0.126 0.000 1.193 144 P CA 0.336 63.392 63.100 -0.074 0.000 0.770 144 P CB 0.112 31.780 31.700 -0.054 0.000 0.836 145 I N -1.859 118.613 120.570 -0.164 0.000 2.797 145 I HA 0.564 4.735 4.170 0.001 0.000 0.307 145 I C 0.150 176.162 176.117 -0.175 0.000 1.033 145 I CA -1.467 59.672 61.300 -0.268 0.000 1.071 145 I CB 2.065 39.805 38.000 -0.434 0.000 1.255 145 I HN 0.317 nan 8.210 nan 0.000 0.445 146 E N 2.138 122.235 120.200 -0.172 0.000 2.390 146 E HA 0.104 4.455 4.350 0.001 0.000 0.261 146 E C -1.009 175.538 176.600 -0.089 0.000 1.076 146 E CA -0.543 55.797 56.400 -0.101 0.000 0.905 146 E CB 0.869 30.524 29.700 -0.075 0.000 0.984 146 E HN 0.648 nan 8.360 nan 0.000 0.427 147 D N 3.424 123.785 120.400 -0.064 0.000 2.336 147 D HA 0.175 4.815 4.640 0.001 0.000 0.249 147 D C -2.003 174.265 176.300 -0.053 0.000 1.213 147 D CA -1.947 52.017 54.000 -0.060 0.000 0.870 147 D CB 0.647 41.419 40.800 -0.046 0.000 1.076 147 D HN 0.279 nan 8.370 nan 0.000 0.483 148 P HA 0.104 nan 4.420 nan 0.000 0.274 148 P C -0.593 176.684 177.300 -0.039 0.000 1.237 148 P CA -0.548 62.526 63.100 -0.043 0.000 0.793 148 P CB 0.646 32.321 31.700 -0.042 0.000 0.977 149 Q N 2.016 121.801 119.800 -0.026 0.000 2.297 149 Q HA 0.123 4.463 4.340 0.001 0.000 0.267 149 Q C -0.427 175.562 176.000 -0.018 0.000 1.006 149 Q CA 0.670 56.463 55.803 -0.018 0.000 0.896 149 Q CB 0.211 28.942 28.738 -0.011 0.000 1.186 149 Q HN 0.258 nan 8.270 nan 0.000 0.392 150 R N 3.230 123.724 120.500 -0.011 0.000 2.589 150 R HA 0.472 4.812 4.340 0.001 0.000 0.293 150 R C -0.592 175.715 176.300 0.012 0.000 0.963 150 R CA -0.883 55.217 56.100 -0.000 0.000 0.905 150 R CB 1.515 31.821 30.300 0.010 0.000 1.144 150 R HN 0.586 nan 8.270 nan 0.000 0.459 151 E N 2.322 122.530 120.200 0.013 0.000 2.244 151 E HA 0.224 4.575 4.350 0.001 0.000 0.266 151 E C -1.943 174.669 176.600 0.019 0.000 0.914 151 E CA -2.232 54.175 56.400 0.012 0.000 0.794 151 E CB 1.748 31.449 29.700 0.002 0.000 1.210 151 E HN 0.238 nan 8.360 nan 0.000 0.414 152 P HA -0.171 nan 4.420 nan 0.000 0.214 152 P C 0.834 178.139 177.300 0.008 0.000 1.163 152 P CA 1.924 65.034 63.100 0.016 0.000 0.889 152 P CB 0.240 31.944 31.700 0.007 0.000 0.790 153 A N -1.219 121.598 122.820 -0.005 0.000 2.238 153 A HA -0.064 4.257 4.320 0.001 0.000 0.208 153 A C 1.335 178.911 177.584 -0.013 0.000 1.177 153 A CA 0.063 52.089 52.037 -0.018 0.000 0.804 153 A CB -1.051 17.931 19.000 -0.029 0.000 0.823 153 A HN 0.195 nan 8.150 nan 0.000 0.482 154 Q N 0.862 120.662 119.800 -0.001 0.000 2.337 154 Q HA 0.145 4.485 4.340 0.001 0.000 0.270 154 Q C -2.478 173.526 176.000 0.005 0.000 1.002 154 Q CA -1.967 53.835 55.803 -0.002 0.000 0.888 154 Q CB 0.519 29.257 28.738 0.001 0.000 1.222 154 Q HN 0.122 nan 8.270 nan 0.000 0.400 155 P HA -0.092 nan 4.420 nan 0.000 0.262 155 P C -1.100 176.189 177.300 -0.019 0.000 1.182 155 P CA 0.501 63.600 63.100 -0.003 0.000 0.761 155 P CB 0.956 32.645 31.700 -0.018 0.000 0.795 156 A N 2.996 125.814 122.820 -0.003 0.000 1.995 156 A HA 0.402 4.722 4.320 0.001 0.000 0.200 156 A C -0.131 177.129 177.584 -0.540 0.000 1.566 156 A CA 0.786 52.727 52.037 -0.160 0.000 0.895 156 A CB 0.146 19.197 19.000 0.086 0.000 1.046 156 A HN 0.436 nan 8.150 nan 0.000 0.523 157 F N -0.979 119.037 119.950 0.110 0.000 2.601 157 F HA 0.667 5.194 4.527 0.001 0.000 0.309 157 F C -0.618 175.187 175.800 0.009 0.000 1.089 157 F CA -0.713 57.288 58.000 0.001 0.000 0.940 157 F CB 1.859 40.902 39.000 0.072 0.000 1.273 157 F HN -0.076 nan 8.300 nan 0.000 0.450 158 I N 2.427 122.982 120.570 -0.025 0.000 2.465 158 I HA 0.461 4.632 4.170 0.001 0.000 0.291 158 I C -1.272 174.663 176.117 -0.304 0.000 1.014 158 I CA -0.445 60.809 61.300 -0.077 0.000 1.093 158 I CB 1.531 39.456 38.000 -0.126 0.000 1.267 158 I HN 0.385 nan 8.210 nan 0.000 0.431 159 F N 4.542 124.474 119.950 -0.029 0.000 2.577 159 F HA 0.528 5.055 4.527 0.001 0.000 0.318 159 F C -0.635 175.136 175.800 -0.048 0.000 1.065 159 F CA -0.669 57.369 58.000 0.062 0.000 0.929 159 F CB 1.619 40.697 39.000 0.128 0.000 1.237 159 F HN 0.187 nan 8.300 nan 0.000 0.468 160 Y N 0.346 120.850 120.300 0.339 0.000 2.361 160 Y HA 0.581 5.132 4.550 0.001 0.000 0.332 160 Y C 0.322 176.369 175.900 0.245 0.000 1.101 160 Y CA -0.603 57.646 58.100 0.249 0.000 1.137 160 Y CB 2.131 40.696 38.460 0.174 0.000 1.207 160 Y HN 0.457 nan 8.280 nan 0.000 0.463 161 T N 1.598 116.330 114.554 0.296 0.000 2.933 161 T HA 0.440 4.791 4.350 0.001 0.000 0.305 161 T C -0.907 173.866 174.700 0.122 0.000 1.092 161 T CA -0.710 61.505 62.100 0.190 0.000 1.008 161 T CB 0.639 69.585 68.868 0.130 0.000 1.102 161 T HN 0.585 nan 8.240 nan 0.000 0.469 162 S N 2.110 117.875 115.700 0.108 0.000 2.565 162 S HA 0.604 5.074 4.470 0.001 0.000 0.276 162 S C 0.731 175.338 174.600 0.012 0.000 1.326 162 S CA -0.519 57.723 58.200 0.071 0.000 1.045 162 S CB 1.139 64.398 63.200 0.099 0.000 0.918 162 S HN 0.898 nan 8.310 nan 0.000 0.505 163 G N 0.674 109.450 108.800 -0.040 0.000 2.753 163 G HA2 0.433 4.394 3.960 0.001 0.000 0.285 163 G HA3 0.433 4.394 3.960 0.001 0.000 0.285 163 G C 0.965 175.767 174.900 -0.163 0.000 1.344 163 G CA -0.190 44.854 45.100 -0.092 0.000 1.050 163 G HN 0.659 nan 8.290 nan 0.000 0.532 164 T N -3.610 110.784 114.554 -0.266 0.000 3.023 164 T HA 0.197 4.547 4.350 0.001 0.000 0.266 164 T C 0.922 175.240 174.700 -0.637 0.000 1.093 164 T CA 1.297 62.989 62.100 -0.681 0.000 1.129 164 T CB 0.036 68.667 68.868 -0.394 0.000 0.899 164 T HN 0.582 nan 8.240 nan 0.000 0.491 165 T N -0.544 113.839 114.554 -0.285 0.000 2.894 165 T HA 0.555 4.905 4.350 0.001 0.000 0.309 165 T C -0.050 174.595 174.700 -0.093 0.000 1.208 165 T CA 0.502 62.505 62.100 -0.162 0.000 1.016 165 T CB 1.148 69.949 68.868 -0.111 0.000 1.192 165 T HN 1.030 nan 8.240 nan 0.000 0.491 166 G N 1.749 110.517 108.800 -0.053 0.000 2.750 166 G HA2 -0.139 3.822 3.960 0.001 0.000 0.228 166 G HA3 -0.139 3.822 3.960 0.001 0.000 0.228 166 G C -0.603 174.287 174.900 -0.018 0.000 1.367 166 G CA -0.314 44.768 45.100 -0.029 0.000 0.871 166 G HN 0.895 nan 8.290 nan 0.000 0.560 167 L N 1.541 122.763 121.223 -0.002 0.000 2.473 167 L HA 0.317 4.658 4.340 0.001 0.000 0.268 167 L C -1.311 175.583 176.870 0.039 0.000 1.215 167 L CA -1.408 53.442 54.840 0.016 0.000 0.823 167 L CB 0.281 42.354 42.059 0.023 0.000 1.099 167 L HN 0.423 nan 8.230 nan 0.000 0.483 168 P HA 0.016 nan 4.420 nan 0.000 0.266 168 P C -1.215 176.212 177.300 0.212 0.000 1.193 168 P CA 0.188 63.379 63.100 0.152 0.000 0.770 168 P CB 0.315 32.148 31.700 0.221 0.000 0.836 169 K N 1.230 121.700 120.400 0.115 0.000 2.130 169 K HA 0.583 4.904 4.320 0.001 0.000 0.268 169 K C -0.157 176.491 176.600 0.080 0.000 0.983 169 K CA -0.797 55.509 56.287 0.032 0.000 0.893 169 K CB 1.362 33.632 32.500 -0.383 0.000 1.066 169 K HN 0.375 nan 8.250 nan 0.000 0.450 170 A N 2.188 125.011 122.820 0.004 0.000 2.527 170 A HA 0.396 4.717 4.320 0.001 0.000 0.313 170 A C 0.036 177.643 177.584 0.037 0.000 1.410 170 A CA -0.520 51.299 52.037 -0.363 0.000 1.060 170 A CB -0.214 18.601 19.000 -0.309 0.000 1.137 170 A HN 0.737 nan 8.150 nan 0.000 0.542 171 A N 3.557 126.443 122.820 0.109 0.000 2.396 171 A HA 0.525 4.846 4.320 0.001 0.000 0.279 171 A C 0.086 177.774 177.584 0.174 0.000 1.165 171 A CA -0.197 51.980 52.037 0.233 0.000 0.824 171 A CB -0.342 18.743 19.000 0.142 0.000 1.100 171 A HN 0.751 nan 8.150 nan 0.000 0.516 172 I N 4.408 125.076 120.570 0.163 0.000 2.337 172 I HA 0.137 4.308 4.170 0.001 0.000 0.291 172 I C -0.330 175.878 176.117 0.151 0.000 1.046 172 I CA -0.249 61.117 61.300 0.109 0.000 1.324 172 I CB 0.584 38.599 38.000 0.024 0.000 1.409 172 I HN 0.411 nan 8.210 nan 0.000 0.494 173 I N 9.224 129.929 120.570 0.226 0.000 2.315 173 I HA 0.327 4.498 4.170 0.001 0.000 0.291 173 I C -1.967 174.266 176.117 0.193 0.000 1.006 173 I CA -2.583 58.861 61.300 0.239 0.000 1.265 173 I CB 0.586 38.834 38.000 0.414 0.000 1.387 173 I HN 0.266 nan 8.210 nan 0.000 0.475 174 P HA 0.147 nan 4.420 nan 0.000 0.276 174 P C 0.287 177.657 177.300 0.117 0.000 1.252 174 P CA -0.360 62.782 63.100 0.071 0.000 0.802 174 P CB 1.086 32.792 31.700 0.010 0.000 1.035 175 Q N 1.216 121.080 119.800 0.107 0.000 2.135 175 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 175 Q C 2.039 178.106 176.000 0.113 0.000 0.981 175 Q CA 1.826 57.718 55.803 0.148 0.000 0.856 175 Q CB -0.514 28.295 28.738 0.118 0.000 0.902 175 Q HN 0.616 nan 8.270 nan 0.000 0.425 176 R N 0.057 120.589 120.500 0.052 0.000 2.285 176 R HA 0.107 4.447 4.340 0.001 0.000 0.213 176 R C 1.811 178.094 176.300 -0.028 0.000 1.068 176 R CA 1.012 57.122 56.100 0.017 0.000 1.004 176 R CB -0.237 30.062 30.300 -0.001 0.000 0.873 176 R HN 0.100 nan 8.270 nan 0.000 0.467 177 A N 1.287 124.078 122.820 -0.048 0.000 2.072 177 A HA 0.239 4.560 4.320 0.001 0.000 0.216 177 A C 2.397 179.821 177.584 -0.267 0.000 1.156 177 A CA 0.761 52.699 52.037 -0.165 0.000 0.701 177 A CB -0.276 18.617 19.000 -0.178 0.000 0.816 177 A HN 0.472 nan 8.150 nan 0.000 0.458 178 A N 0.178 122.919 122.820 -0.133 0.000 1.908 178 A HA -0.235 4.085 4.320 0.001 0.000 0.218 178 A C 1.992 179.516 177.584 -0.100 0.000 1.181 178 A CA 1.886 53.863 52.037 -0.101 0.000 0.627 178 A CB -0.535 18.599 19.000 0.223 0.000 0.818 178 A HN 0.639 nan 8.150 nan 0.000 0.445 179 E N 0.096 120.259 120.200 -0.062 0.000 2.051 179 E HA -0.176 4.175 4.350 0.001 0.000 0.192 179 E C 2.245 178.769 176.600 -0.127 0.000 0.991 179 E CA 1.640 58.015 56.400 -0.043 0.000 0.799 179 E CB -0.101 29.602 29.700 0.004 0.000 0.748 179 E HN 0.763 nan 8.360 nan 0.000 0.449 180 S N 0.072 115.583 115.700 -0.314 0.000 2.428 180 S HA -0.047 4.424 4.470 0.001 0.000 0.230 180 S C 1.819 176.176 174.600 -0.405 0.000 1.014 180 S CA 0.371 58.130 58.200 -0.735 0.000 0.957 180 S CB -0.189 62.253 63.200 -1.264 0.000 0.784 180 S HN 0.199 nan 8.310 nan 0.000 0.499 181 R N 0.356 120.685 120.500 -0.284 0.000 2.235 181 R HA 0.143 4.483 4.340 0.001 0.000 0.213 181 R C 1.626 178.015 176.300 0.149 0.000 1.059 181 R CA 0.831 56.851 56.100 -0.133 0.000 0.997 181 R CB -0.267 29.665 30.300 -0.613 0.000 0.884 181 R HN 0.367 nan 8.270 nan 0.000 0.462 182 V N 0.459 120.393 119.914 0.033 0.000 2.521 182 V HA -0.070 4.051 4.120 0.001 0.000 0.239 182 V C 1.993 178.049 176.094 -0.063 0.000 1.053 182 V CA 0.921 63.218 62.300 -0.004 0.000 1.073 182 V CB -0.127 31.693 31.823 -0.004 0.000 0.746 182 V HN 0.205 nan 8.190 nan 0.000 0.476 183 L N 0.573 121.815 121.223 0.032 0.000 2.362 183 L HA -0.151 4.189 4.340 0.001 0.000 0.219 183 L C 2.431 179.440 176.870 0.231 0.000 1.134 183 L CA 1.450 56.364 54.840 0.122 0.000 0.807 183 L CB -0.654 41.565 42.059 0.266 0.000 0.927 183 L HN 0.584 nan 8.230 nan 0.000 0.447 184 F N -1.367 118.727 119.950 0.240 0.000 2.333 184 F HA -0.191 4.337 4.527 0.001 0.000 0.300 184 F C 2.240 178.062 175.800 0.037 0.000 1.083 184 F CA 0.876 59.014 58.000 0.231 0.000 1.395 184 F CB -0.526 38.584 39.000 0.183 0.000 1.056 184 F HN -0.035 nan 8.300 nan 0.000 0.529 185 M N 0.625 119.716 119.600 -0.849 0.000 2.296 185 M HA -0.108 4.372 4.480 0.001 0.000 0.265 185 M C 2.142 178.234 176.300 -0.347 0.000 1.064 185 M CA 1.109 55.996 55.300 -0.688 0.000 1.109 185 M CB -1.383 30.857 32.600 -0.600 0.000 1.396 185 M HN 0.282 nan 8.290 nan 0.000 0.430 186 S N 0.258 115.828 115.700 -0.218 0.000 2.371 186 S HA -0.068 4.402 4.470 0.001 0.000 0.221 186 S C 2.042 176.554 174.600 -0.147 0.000 1.036 186 S CA 1.730 59.839 58.200 -0.152 0.000 0.965 186 S CB -0.415 62.724 63.200 -0.100 0.000 0.845 186 S HN 0.651 nan 8.310 nan 0.000 0.475 187 T N 0.166 114.641 114.554 -0.131 0.000 2.812 187 T HA 0.001 4.351 4.350 0.001 0.000 0.264 187 T C 1.779 176.372 174.700 -0.178 0.000 1.042 187 T CA 0.986 62.980 62.100 -0.177 0.000 1.140 187 T CB -0.243 68.481 68.868 -0.241 0.000 0.870 187 T HN 0.136 nan 8.240 nan 0.000 0.445 188 Q N 0.394 120.071 119.800 -0.204 0.000 2.178 188 Q HA 0.304 4.644 4.340 0.001 0.000 0.195 188 Q C 2.554 178.436 176.000 -0.196 0.000 0.960 188 Q CA 0.878 56.425 55.803 -0.426 0.000 0.843 188 Q CB -0.288 28.161 28.738 -0.481 0.000 0.927 188 Q HN 0.413 nan 8.270 nan 0.000 0.487 189 V N -0.910 118.890 119.914 -0.190 0.000 2.719 189 V HA 0.113 4.234 4.120 0.001 0.000 0.252 189 V C 1.270 177.266 176.094 -0.164 0.000 1.065 189 V CA 1.266 63.453 62.300 -0.187 0.000 1.086 189 V CB -0.447 31.178 31.823 -0.330 0.000 0.700 189 V HN 0.608 nan 8.190 nan 0.000 0.467 190 G N 0.312 109.009 108.800 -0.172 0.000 2.132 190 G HA2 -0.213 3.747 3.960 0.001 0.000 0.228 190 G HA3 -0.213 3.747 3.960 0.001 0.000 0.228 190 G C 0.040 174.825 174.900 -0.192 0.000 1.000 190 G CA 0.036 45.072 45.100 -0.107 0.000 0.693 190 G HN 0.414 nan 8.290 nan 0.000 0.515 191 L N 0.300 121.326 121.223 -0.328 0.000 2.461 191 L HA 0.506 4.847 4.340 0.001 0.000 0.272 191 L C 1.313 178.130 176.870 -0.088 0.000 1.197 191 L CA -0.011 54.675 54.840 -0.257 0.000 0.836 191 L CB 0.431 42.325 42.059 -0.276 0.000 1.105 191 L HN 0.567 nan 8.230 nan 0.000 0.477 192 R N 0.758 121.273 120.500 0.026 0.000 2.867 192 R HA 0.406 4.747 4.340 0.001 0.000 0.268 192 R C -0.498 175.861 176.300 0.099 0.000 1.014 192 R CA -0.992 55.150 56.100 0.071 0.000 0.946 192 R CB 1.287 31.642 30.300 0.091 0.000 1.208 192 R HN 0.558 nan 8.270 nan 0.000 0.477 193 H N 0.044 119.126 119.070 0.020 0.000 2.928 193 H HA 0.342 4.898 4.556 0.001 0.000 0.338 193 H C -0.349 174.993 175.328 0.024 0.000 1.047 193 H CA 1.901 57.937 56.048 -0.020 0.000 1.435 193 H CB 0.696 30.441 29.762 -0.028 0.000 1.428 193 H HN 0.902 nan 8.280 nan 0.000 0.590 194 G N 4.014 112.271 108.800 -0.906 0.000 2.352 194 G HA2 -0.031 3.930 3.960 0.001 0.000 0.305 194 G HA3 -0.031 3.930 3.960 0.001 0.000 0.305 194 G C 0.072 174.544 174.900 -0.713 0.000 1.537 194 G CA -0.728 43.958 45.100 -0.689 0.000 0.959 194 G HN 0.610 nan 8.290 nan 0.000 0.668 195 R N -0.096 120.100 120.500 -0.507 0.000 2.328 195 R HA -0.004 4.337 4.340 0.001 0.000 0.207 195 R C 2.030 178.155 176.300 -0.291 0.000 1.056 195 R CA 1.171 56.911 56.100 -0.600 0.000 1.016 195 R CB -0.211 29.632 30.300 -0.761 0.000 0.872 195 R HN 0.758 nan 8.270 nan 0.000 0.471 196 H N -0.908 118.086 119.070 -0.128 0.000 2.524 196 H HA 0.075 4.632 4.556 0.001 0.000 0.282 196 H C -0.146 175.185 175.328 0.006 0.000 1.016 196 H CA 0.162 56.192 56.048 -0.031 0.000 1.270 196 H CB -0.118 29.625 29.762 -0.032 0.000 1.394 196 H HN -0.025 nan 8.280 nan 0.000 0.568 197 N N 2.059 120.496 118.700 -0.438 0.000 2.416 197 N HA 0.099 4.840 4.740 0.001 0.000 0.265 197 N C -0.880 174.616 175.510 -0.025 0.000 1.195 197 N CA 0.071 52.991 53.050 -0.216 0.000 0.943 197 N CB 1.970 40.274 38.487 -0.305 0.000 1.115 197 N HN 0.061 nan 8.380 nan 0.000 0.481 198 V N 3.516 123.448 119.914 0.029 0.000 2.325 198 V HA 0.239 4.359 4.120 0.001 0.000 0.280 198 V C 0.169 176.274 176.094 0.019 0.000 1.016 198 V CA -0.782 61.539 62.300 0.035 0.000 0.818 198 V CB 1.592 33.440 31.823 0.042 0.000 1.019 198 V HN 0.221 nan 8.190 nan 0.000 0.434 199 V N 5.998 125.913 119.914 0.003 0.000 2.394 199 V HA 0.405 4.525 4.120 0.001 0.000 0.282 199 V C -0.101 175.928 176.094 -0.108 0.000 1.031 199 V CA -0.618 61.675 62.300 -0.012 0.000 0.881 199 V CB 1.762 33.607 31.823 0.036 0.000 0.982 199 V HN 0.678 nan 8.190 nan 0.000 0.451 200 L N 4.822 125.987 121.223 -0.097 0.000 2.313 200 L HA 0.578 4.919 4.340 0.001 0.000 0.282 200 L C 1.096 177.821 176.870 -0.241 0.000 1.092 200 L CA 0.484 55.225 54.840 -0.165 0.000 0.831 200 L CB 1.024 43.039 42.059 -0.072 0.000 1.159 200 L HN 0.705 nan 8.230 nan 0.000 0.442 201 G N 5.894 114.411 108.800 -0.472 0.000 3.316 201 G HA2 0.182 4.142 3.960 0.001 0.000 0.255 201 G HA3 0.182 4.142 3.960 0.001 0.000 0.255 201 G C 0.920 175.705 174.900 -0.192 0.000 0.880 201 G CA -0.258 44.551 45.100 -0.483 0.000 1.956 201 G HN 0.760 nan 8.290 nan 0.000 0.634 202 L N 0.169 121.291 121.223 -0.169 0.000 2.072 202 L HA 0.090 4.431 4.340 0.001 0.000 0.205 202 L C 1.606 178.343 176.870 -0.221 0.000 1.079 202 L CA 0.573 55.291 54.840 -0.203 0.000 0.752 202 L CB -0.238 41.590 42.059 -0.386 0.000 0.906 202 L HN 0.317 nan 8.230 nan 0.000 0.436 203 M N 1.267 120.729 119.600 -0.230 0.000 2.217 203 M HA 0.199 4.680 4.480 0.001 0.000 0.354 203 M C -2.108 174.101 176.300 -0.153 0.000 1.225 203 M CA -2.176 52.998 55.300 -0.210 0.000 1.137 203 M CB 0.020 32.462 32.600 -0.263 0.000 1.576 203 M HN -0.221 nan 8.290 nan 0.000 0.461 204 P HA 0.017 nan 4.420 nan 0.000 0.262 204 P C 0.644 177.675 177.300 -0.447 0.000 1.182 204 P CA 0.165 62.968 63.100 -0.495 0.000 0.761 204 P CB 0.429 31.484 31.700 -1.076 0.000 0.795 205 L N 2.707 123.764 121.223 -0.276 0.000 2.275 205 L HA -0.155 4.186 4.340 0.001 0.000 0.215 205 L C 1.959 178.829 176.870 -0.001 0.000 1.119 205 L CA 1.251 56.064 54.840 -0.046 0.000 0.790 205 L CB -0.877 41.221 42.059 0.064 0.000 0.919 205 L HN 0.477 nan 8.230 nan 0.000 0.443 206 Y N -3.168 117.126 120.300 -0.011 0.000 2.490 206 Y HA 0.221 4.772 4.550 0.001 0.000 0.281 206 Y C 0.756 176.674 175.900 0.031 0.000 1.174 206 Y CA -0.663 57.403 58.100 -0.057 0.000 1.295 206 Y CB -0.717 37.630 38.460 -0.189 0.000 1.062 206 Y HN 0.073 nan 8.280 nan 0.000 0.522 207 H N -0.127 119.019 119.070 0.127 0.000 2.710 207 H HA 0.277 4.834 4.556 0.001 0.000 0.361 207 H C 1.213 176.447 175.328 -0.157 0.000 1.175 207 H CA -0.502 55.607 56.048 0.102 0.000 1.206 207 H CB 2.240 31.984 29.762 -0.031 0.000 1.750 207 H HN 0.048 nan 8.280 nan 0.000 0.553 208 V N -0.235 119.489 119.914 -0.317 0.000 2.626 208 V HA -0.151 3.970 4.120 0.001 0.000 0.252 208 V C 1.842 177.873 176.094 -0.104 0.000 1.067 208 V CA 1.155 63.185 62.300 -0.451 0.000 1.081 208 V CB -1.038 30.540 31.823 -0.409 0.000 0.686 208 V HN 0.406 nan 8.190 nan 0.000 0.468 209 V N 2.138 121.968 119.914 -0.140 0.000 2.237 209 V HA -0.100 4.020 4.120 0.001 0.000 0.245 209 V C 2.994 178.963 176.094 -0.207 0.000 1.046 209 V CA 2.527 64.693 62.300 -0.223 0.000 1.007 209 V CB -1.643 29.918 31.823 -0.437 0.000 0.638 209 V HN 0.607 nan 8.190 nan 0.000 0.445 210 G N -1.372 107.323 108.800 -0.174 0.000 2.450 210 G HA2 -0.295 3.665 3.960 0.001 0.000 0.220 210 G HA3 -0.295 3.665 3.960 0.001 0.000 0.220 210 G C 1.502 176.361 174.900 -0.068 0.000 1.130 210 G CA 1.084 46.113 45.100 -0.119 0.000 0.760 210 G HN 0.457 nan 8.290 nan 0.000 0.557 211 F N 0.324 120.138 119.950 -0.226 0.000 2.092 211 F HA 0.264 4.792 4.527 0.001 0.000 0.286 211 F C 2.342 177.902 175.800 -0.400 0.000 1.116 211 F CA 0.926 58.713 58.000 -0.356 0.000 1.185 211 F CB -0.257 38.495 39.000 -0.413 0.000 1.034 211 F HN 0.098 nan 8.300 nan 0.000 0.479 212 F N 0.202 120.006 119.950 -0.244 0.000 2.149 212 F HA 0.043 4.571 4.527 0.001 0.000 0.294 212 F C 2.496 178.175 175.800 -0.202 0.000 1.095 212 F CA 1.091 58.911 58.000 -0.299 0.000 1.276 212 F CB -0.965 37.961 39.000 -0.124 0.000 1.023 212 F HN 0.056 nan 8.300 nan 0.000 0.480 213 A N -0.785 122.098 122.820 0.103 0.000 2.123 213 A HA 0.127 4.448 4.320 0.001 0.000 0.214 213 A C 1.855 179.452 177.584 0.022 0.000 1.152 213 A CA 1.117 53.209 52.037 0.093 0.000 0.728 213 A CB -0.524 18.656 19.000 0.300 0.000 0.814 213 A HN 0.183 nan 8.150 nan 0.000 0.464 214 V N -1.220 118.671 119.914 -0.037 0.000 3.050 214 V HA 0.051 4.172 4.120 0.001 0.000 0.223 214 V C 2.106 178.206 176.094 0.011 0.000 1.162 214 V CA 0.781 63.098 62.300 0.029 0.000 1.247 214 V CB -0.919 30.932 31.823 0.047 0.000 1.125 214 V HN 0.435 nan 8.190 nan 0.000 0.508 215 L N 0.789 121.910 121.223 -0.169 0.000 1.955 215 L HA -0.126 4.215 4.340 0.001 0.000 0.213 215 L C 2.317 178.922 176.870 -0.442 0.000 1.072 215 L CA 2.337 56.848 54.840 -0.549 0.000 0.755 215 L CB -0.633 40.934 42.059 -0.821 0.000 0.888 215 L HN 0.149 nan 8.230 nan 0.000 0.432 216 V N 0.314 119.897 119.914 -0.551 0.000 2.343 216 V HA -0.280 3.841 4.120 0.001 0.000 0.247 216 V C 2.823 178.801 176.094 -0.194 0.000 1.051 216 V CA 1.632 63.678 62.300 -0.424 0.000 1.036 216 V CB -1.607 29.892 31.823 -0.540 0.000 0.654 216 V HN 0.653 nan 8.190 nan 0.000 0.451 217 A N 0.284 123.015 122.820 -0.148 0.000 1.883 217 A HA -0.187 4.133 4.320 0.001 0.000 0.217 217 A C 2.478 180.025 177.584 -0.061 0.000 1.186 217 A CA 2.420 54.403 52.037 -0.090 0.000 0.624 217 A CB -0.975 17.964 19.000 -0.101 0.000 0.822 217 A HN 0.591 nan 8.150 nan 0.000 0.444 218 A N -0.287 122.512 122.820 -0.036 0.000 1.873 218 A HA -0.124 4.197 4.320 0.001 0.000 0.218 218 A C 2.215 179.821 177.584 0.036 0.000 1.193 218 A CA 1.761 53.807 52.037 0.015 0.000 0.629 218 A CB -0.702 18.368 19.000 0.116 0.000 0.826 218 A HN 0.502 nan 8.150 nan 0.000 0.447 219 L N -1.117 120.117 121.223 0.018 0.000 2.072 219 L HA -0.100 4.240 4.340 0.001 0.000 0.205 219 L C 3.046 180.011 176.870 0.159 0.000 1.079 219 L CA 0.928 55.843 54.840 0.125 0.000 0.752 219 L CB -0.595 41.459 42.059 -0.009 0.000 0.906 219 L HN 0.418 nan 8.230 nan 0.000 0.436 220 A N 0.105 122.952 122.820 0.046 0.000 2.019 220 A HA -0.097 4.223 4.320 0.001 0.000 0.219 220 A C 2.068 179.682 177.584 0.049 0.000 1.164 220 A CA 1.207 53.270 52.037 0.044 0.000 0.644 220 A CB -0.587 18.421 19.000 0.014 0.000 0.805 220 A HN 0.411 nan 8.150 nan 0.000 0.449 221 L N -0.803 120.426 121.223 0.009 0.000 2.612 221 L HA 0.055 4.395 4.340 0.001 0.000 0.230 221 L C -0.254 176.494 176.870 -0.203 0.000 1.140 221 L CA 0.093 54.908 54.840 -0.041 0.000 0.896 221 L CB -0.312 41.683 42.059 -0.107 0.000 1.065 221 L HN 0.271 nan 8.230 nan 0.000 0.447 222 D N -0.646 119.683 120.400 -0.118 0.000 2.981 222 D HA -0.136 4.504 4.640 0.001 0.000 0.223 222 D C 0.644 176.848 176.300 -0.159 0.000 1.151 222 D CA 1.089 54.928 54.000 -0.269 0.000 0.827 222 D CB -1.287 39.294 40.800 -0.366 0.000 1.101 222 D HN 0.485 nan 8.370 nan 0.000 0.426 223 G N -1.368 107.449 108.800 0.028 0.000 2.702 223 G HA2 0.657 4.618 3.960 0.001 0.000 0.254 223 G HA3 0.657 4.618 3.960 0.001 0.000 0.254 223 G C -0.302 174.771 174.900 0.289 0.000 1.380 223 G CA -0.210 44.943 45.100 0.089 0.000 1.042 223 G HN 0.078 nan 8.290 nan 0.000 0.557 224 T N -0.305 114.356 114.554 0.178 0.000 2.807 224 T HA 0.384 4.735 4.350 0.001 0.000 0.279 224 T C -1.577 173.184 174.700 0.101 0.000 0.993 224 T CA -0.059 62.110 62.100 0.115 0.000 0.970 224 T CB 1.418 70.320 68.868 0.057 0.000 0.950 224 T HN 0.368 nan 8.240 nan 0.000 0.441 225 Y N 3.498 123.769 120.300 -0.047 0.000 2.353 225 Y HA 0.535 5.086 4.550 0.001 0.000 0.340 225 Y C -0.644 175.231 175.900 -0.042 0.000 0.972 225 Y CA -0.867 57.203 58.100 -0.051 0.000 1.157 225 Y CB 0.667 39.082 38.460 -0.075 0.000 1.157 225 Y HN 0.375 nan 8.280 nan 0.000 0.495 226 V N 7.858 127.544 119.914 -0.380 0.000 2.368 226 V HA 0.152 4.272 4.120 0.001 0.000 0.266 226 V C -0.083 175.721 176.094 -0.485 0.000 1.045 226 V CA -0.830 61.292 62.300 -0.297 0.000 0.899 226 V CB 0.599 32.312 31.823 -0.182 0.000 1.006 226 V HN 0.603 nan 8.190 nan 0.000 0.470 227 V N 6.251 126.014 119.914 -0.252 0.000 2.585 227 V HA 0.147 4.268 4.120 0.001 0.000 0.296 227 V C 0.226 176.263 176.094 -0.095 0.000 1.035 227 V CA 0.056 62.277 62.300 -0.133 0.000 1.084 227 V CB 1.404 33.266 31.823 0.065 0.000 0.953 227 V HN 0.615 nan 8.190 nan 0.000 0.483 228 V N 5.045 124.922 119.914 -0.063 0.000 2.376 228 V HA 0.297 4.417 4.120 0.001 0.000 0.287 228 V C 0.686 176.813 176.094 0.055 0.000 1.015 228 V CA -0.395 61.907 62.300 0.004 0.000 0.834 228 V CB 1.230 33.064 31.823 0.018 0.000 1.001 228 V HN 0.960 nan 8.190 nan 0.000 0.428 229 E N 2.720 122.955 120.200 0.058 0.000 2.170 229 E HA 0.032 4.383 4.350 0.001 0.000 0.191 229 E C 0.671 177.324 176.600 0.088 0.000 0.981 229 E CA 0.543 56.985 56.400 0.069 0.000 0.830 229 E CB 0.710 30.440 29.700 0.050 0.000 0.775 229 E HN 0.756 nan 8.360 nan 0.000 0.470 230 E N 0.198 120.456 120.200 0.097 0.000 2.291 230 E HA 0.098 4.449 4.350 0.001 0.000 0.276 230 E C -1.535 175.162 176.600 0.162 0.000 0.896 230 E CA -0.574 55.897 56.400 0.118 0.000 0.774 230 E CB 1.027 30.768 29.700 0.068 0.000 1.227 230 E HN -0.116 nan 8.360 nan 0.000 0.413 231 F N 4.761 124.743 119.950 0.054 0.000 2.471 231 F HA 0.364 4.892 4.527 0.001 0.000 0.365 231 F C -0.577 175.244 175.800 0.035 0.000 1.095 231 F CA -0.055 57.982 58.000 0.062 0.000 1.174 231 F CB 0.343 39.408 39.000 0.109 0.000 1.105 231 F HN 0.396 nan 8.300 nan 0.000 0.535 232 R N 7.957 128.113 120.500 -0.574 0.000 2.500 232 R HA 0.239 4.580 4.340 0.001 0.000 0.299 232 R C -2.026 173.854 176.300 -0.700 0.000 1.038 232 R CA -1.634 54.098 56.100 -0.613 0.000 0.903 232 R CB 1.520 31.665 30.300 -0.260 0.000 1.177 232 R HN 0.343 nan 8.270 nan 0.000 0.455 233 P HA -0.203 nan 4.420 nan 0.000 0.216 233 P C 1.260 178.455 177.300 -0.176 0.000 1.153 233 P CA 1.128 63.964 63.100 -0.441 0.000 0.858 233 P CB 0.303 31.841 31.700 -0.270 0.000 0.789 234 V N 1.029 120.843 119.914 -0.168 0.000 2.343 234 V HA -0.212 3.908 4.120 0.001 0.000 0.247 234 V C 2.167 178.221 176.094 -0.067 0.000 1.051 234 V CA 2.362 64.608 62.300 -0.090 0.000 1.036 234 V CB -1.410 30.361 31.823 -0.087 0.000 0.654 234 V HN 0.049 nan 8.190 nan 0.000 0.451 235 D N 0.377 120.721 120.400 -0.093 0.000 2.178 235 D HA -0.077 4.563 4.640 0.001 0.000 0.202 235 D C 2.198 178.483 176.300 -0.025 0.000 0.974 235 D CA 1.491 55.457 54.000 -0.057 0.000 0.841 235 D CB -0.347 40.414 40.800 -0.065 0.000 0.953 235 D HN 0.436 nan 8.370 nan 0.000 0.478 236 A N 0.579 123.388 122.820 -0.018 0.000 1.877 236 A HA -0.108 4.213 4.320 0.001 0.000 0.216 236 A C 2.313 179.925 177.584 0.047 0.000 1.186 236 A CA 0.887 52.958 52.037 0.056 0.000 0.620 236 A CB -0.757 18.352 19.000 0.181 0.000 0.822 236 A HN 0.209 nan 8.150 nan 0.000 0.443 237 L N -0.950 120.294 121.223 0.035 0.000 2.093 237 L HA -0.228 4.113 4.340 0.001 0.000 0.208 237 L C 2.831 179.713 176.870 0.021 0.000 1.085 237 L CA 1.370 56.231 54.840 0.034 0.000 0.755 237 L CB -0.573 41.505 42.059 0.032 0.000 0.904 237 L HN 0.485 nan 8.230 nan 0.000 0.435 238 Q N -0.132 119.673 119.800 0.008 0.000 2.124 238 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 238 Q C 2.376 178.378 176.000 0.005 0.000 0.977 238 Q CA 1.186 56.991 55.803 0.005 0.000 0.850 238 Q CB -0.068 28.668 28.738 -0.003 0.000 0.901 238 Q HN 0.525 nan 8.270 nan 0.000 0.429 239 L N -0.273 120.953 121.223 0.005 0.000 2.056 239 L HA -0.181 4.160 4.340 0.001 0.000 0.207 239 L C 2.320 179.192 176.870 0.005 0.000 1.078 239 L CA 0.699 55.540 54.840 0.001 0.000 0.749 239 L CB -0.496 41.561 42.059 -0.003 0.000 0.901 239 L HN 0.108 nan 8.230 nan 0.000 0.433 240 V N -0.023 119.900 119.914 0.015 0.000 2.278 240 V HA -0.400 3.720 4.120 0.001 0.000 0.251 240 V C 2.488 178.593 176.094 0.017 0.000 1.062 240 V CA 2.361 64.673 62.300 0.019 0.000 1.038 240 V CB -0.621 31.220 31.823 0.031 0.000 0.646 240 V HN 0.578 nan 8.190 nan 0.000 0.447 241 Q N -0.434 119.375 119.800 0.016 0.000 2.016 241 Q HA -0.267 4.074 4.340 0.001 0.000 0.200 241 Q C 2.439 178.445 176.000 0.010 0.000 0.978 241 Q CA 2.064 57.875 55.803 0.014 0.000 0.833 241 Q CB -0.241 28.504 28.738 0.013 0.000 0.895 241 Q HN 0.733 nan 8.270 nan 0.000 0.427 242 Q N -0.437 119.367 119.800 0.006 0.000 2.050 242 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 242 Q C 1.205 177.206 176.000 0.002 0.000 0.980 242 Q CA 1.477 57.282 55.803 0.003 0.000 0.840 242 Q CB 0.180 28.917 28.738 -0.001 0.000 0.898 242 Q HN 0.372 nan 8.270 nan 0.000 0.424 243 E N 0.164 120.364 120.200 0.001 0.000 2.479 243 E HA -0.013 4.337 4.350 0.001 0.000 0.193 243 E C -0.161 176.445 176.600 0.010 0.000 1.049 243 E CA 0.089 56.489 56.400 -0.001 0.000 0.870 243 E CB 0.481 30.173 29.700 -0.012 0.000 0.944 243 E HN 0.315 nan 8.360 nan 0.000 0.492 244 Q N 0.058 119.867 119.800 0.014 0.000 2.452 244 Q HA -0.154 4.186 4.340 0.001 0.000 0.318 244 Q C -0.331 175.687 176.000 0.030 0.000 1.386 244 Q CA 0.329 56.146 55.803 0.023 0.000 0.872 244 Q CB -2.413 26.342 28.738 0.027 0.000 1.151 244 Q HN 0.083 nan 8.270 nan 0.000 0.417 245 V N 1.155 121.084 119.914 0.025 0.000 2.617 245 V HA -0.025 4.095 4.120 0.001 0.000 0.304 245 V C 1.963 178.086 176.094 0.047 0.000 1.040 245 V CA 1.556 63.873 62.300 0.028 0.000 1.149 245 V CB 1.149 32.982 31.823 0.017 0.000 0.914 245 V HN 0.693 nan 8.190 nan 0.000 0.487 246 T N -0.255 114.340 114.554 0.068 0.000 3.023 246 T HA 0.155 4.505 4.350 0.001 0.000 0.249 246 T C 0.573 175.360 174.700 0.145 0.000 1.050 246 T CA 0.463 62.625 62.100 0.104 0.000 1.088 246 T CB 0.260 69.219 68.868 0.151 0.000 0.946 246 T HN 0.779 nan 8.240 nan 0.000 0.480 247 S N 1.393 117.163 115.700 0.116 0.000 2.540 247 S HA 0.730 5.201 4.470 0.001 0.000 0.275 247 S C -1.428 173.219 174.600 0.078 0.000 1.123 247 S CA -1.083 57.193 58.200 0.126 0.000 0.907 247 S CB 2.224 65.484 63.200 0.100 0.000 1.081 247 S HN 0.754 nan 8.310 nan 0.000 0.476 248 L N 0.585 121.860 121.223 0.088 0.000 2.470 248 L HA 0.873 5.214 4.340 0.001 0.000 0.268 248 L C -1.977 174.977 176.870 0.140 0.000 0.964 248 L CA -0.749 54.141 54.840 0.084 0.000 0.839 248 L CB 1.510 43.605 42.059 0.059 0.000 1.276 248 L HN 0.739 nan 8.230 nan 0.000 0.403 249 F N 4.161 124.087 119.950 -0.040 0.000 2.449 249 F HA 0.940 5.467 4.527 0.001 0.000 0.342 249 F C -0.224 175.515 175.800 -0.102 0.000 1.127 249 F CA -0.385 57.596 58.000 -0.031 0.000 0.975 249 F CB 1.347 40.328 39.000 -0.031 0.000 1.146 249 F HN 1.080 nan 8.300 nan 0.000 0.444 250 A N 2.766 125.807 122.820 0.368 0.000 2.568 250 A HA 0.710 5.031 4.320 0.001 0.000 0.291 250 A C -0.598 177.092 177.584 0.178 0.000 1.159 250 A CA -0.302 51.716 52.037 -0.033 0.000 0.679 250 A CB 0.874 19.677 19.000 -0.329 0.000 1.285 250 A HN 0.728 nan 8.150 nan 0.000 0.428 251 T N -1.556 113.123 114.554 0.207 0.000 2.849 251 T HA 0.501 4.851 4.350 0.001 0.000 0.284 251 T C -2.063 172.732 174.700 0.158 0.000 1.004 251 T CA -1.190 61.049 62.100 0.233 0.000 1.021 251 T CB 0.817 69.815 68.868 0.217 0.000 1.013 251 T HN 0.213 nan 8.240 nan 0.000 0.527 252 P HA -0.057 nan 4.420 nan 0.000 0.218 252 P C 1.572 178.833 177.300 -0.064 0.000 1.148 252 P CA 0.999 64.077 63.100 -0.036 0.000 0.822 252 P CB -0.226 31.452 31.700 -0.036 0.000 0.784 253 T N -1.596 112.916 114.554 -0.071 0.000 2.674 253 T HA -0.196 4.155 4.350 0.001 0.000 0.265 253 T C 1.476 176.052 174.700 -0.207 0.000 1.039 253 T CA 1.652 63.623 62.100 -0.215 0.000 1.150 253 T CB -1.114 67.582 68.868 -0.286 0.000 0.864 253 T HN 0.287 nan 8.240 nan 0.000 0.427 254 H N 0.620 119.575 119.070 -0.192 0.000 2.319 254 H HA 0.022 4.579 4.556 0.001 0.000 0.297 254 H C 2.189 177.486 175.328 -0.052 0.000 1.097 254 H CA 1.374 57.271 56.048 -0.252 0.000 1.285 254 H CB -0.315 29.208 29.762 -0.399 0.000 1.368 254 H HN 0.199 nan 8.280 nan 0.000 0.495 255 L N -0.286 120.982 121.223 0.074 0.000 2.156 255 L HA -0.135 4.206 4.340 0.001 0.000 0.208 255 L C 2.102 178.967 176.870 -0.009 0.000 1.095 255 L CA 1.091 55.948 54.840 0.028 0.000 0.770 255 L CB -0.259 41.770 42.059 -0.051 0.000 0.914 255 L HN 0.307 nan 8.230 nan 0.000 0.439 256 D N 0.412 120.781 120.400 -0.052 0.000 2.104 256 D HA -0.198 4.442 4.640 0.001 0.000 0.194 256 D C 2.163 178.443 176.300 -0.034 0.000 0.994 256 D CA 1.562 55.522 54.000 -0.065 0.000 0.830 256 D CB 0.180 40.911 40.800 -0.116 0.000 0.959 256 D HN 0.241 nan 8.370 nan 0.000 0.452 257 A N -0.176 122.641 122.820 -0.005 0.000 1.898 257 A HA -0.060 4.261 4.320 0.001 0.000 0.216 257 A C 2.432 180.055 177.584 0.065 0.000 1.181 257 A CA 1.011 53.066 52.037 0.030 0.000 0.620 257 A CB -0.753 18.318 19.000 0.119 0.000 0.819 257 A HN 0.348 nan 8.150 nan 0.000 0.442 258 L N -0.838 120.471 121.223 0.142 0.000 2.056 258 L HA -0.141 4.200 4.340 0.001 0.000 0.207 258 L C 3.089 179.996 176.870 0.062 0.000 1.078 258 L CA 0.971 55.888 54.840 0.128 0.000 0.749 258 L CB -0.499 41.667 42.059 0.180 0.000 0.901 258 L HN 0.419 nan 8.230 nan 0.000 0.433 259 A N 0.051 122.899 122.820 0.048 0.000 1.933 259 A HA -0.181 4.139 4.320 0.001 0.000 0.218 259 A C 2.521 180.083 177.584 -0.037 0.000 1.175 259 A CA 1.761 53.826 52.037 0.046 0.000 0.628 259 A CB -0.689 18.349 19.000 0.063 0.000 0.814 259 A HN 0.403 nan 8.150 nan 0.000 0.444 260 A N -0.086 122.705 122.820 -0.048 0.000 1.877 260 A HA 0.161 4.482 4.320 0.001 0.000 0.216 260 A C 2.536 180.078 177.584 -0.069 0.000 1.186 260 A CA 2.140 54.126 52.037 -0.086 0.000 0.620 260 A CB -1.113 17.849 19.000 -0.064 0.000 0.822 260 A HN 1.083 nan 8.150 nan 0.000 0.443 261 A N -0.109 122.685 122.820 -0.043 0.000 1.908 261 A HA 0.104 4.424 4.320 0.001 0.000 0.218 261 A C 2.516 180.106 177.584 0.010 0.000 1.181 261 A CA 2.329 54.351 52.037 -0.025 0.000 0.627 261 A CB -1.063 17.915 19.000 -0.037 0.000 0.818 261 A HN 1.097 nan 8.150 nan 0.000 0.445 262 A N -0.240 122.581 122.820 0.001 0.000 1.902 262 A HA 0.174 4.495 4.320 0.001 0.000 0.217 262 A C 2.520 180.087 177.584 -0.029 0.000 1.181 262 A CA 2.084 54.133 52.037 0.019 0.000 0.623 262 A CB -1.056 17.982 19.000 0.064 0.000 0.818 262 A HN 1.093 nan 8.150 nan 0.000 0.443 263 A N -1.081 121.618 122.820 -0.201 0.000 1.883 263 A HA -0.267 4.053 4.320 0.001 0.000 0.217 263 A C 2.188 179.695 177.584 -0.129 0.000 1.186 263 A CA 1.890 53.687 52.037 -0.400 0.000 0.624 263 A CB -1.019 17.500 19.000 -0.803 0.000 0.822 263 A HN 0.751 nan 8.150 nan 0.000 0.444 264 H N -0.157 118.828 119.070 -0.141 0.000 2.321 264 H HA -0.030 4.527 4.556 0.001 0.000 0.300 264 H C 2.261 177.559 175.328 -0.049 0.000 1.087 264 H CA 1.761 57.761 56.048 -0.081 0.000 1.319 264 H CB -0.165 29.554 29.762 -0.071 0.000 1.379 264 H HN 0.410 nan 8.280 nan 0.000 0.501 265 A N 0.611 123.471 122.820 0.067 0.000 2.014 265 A HA 0.100 4.420 4.320 0.001 0.000 0.218 265 A C 1.955 179.528 177.584 -0.019 0.000 1.163 265 A CA 1.503 53.559 52.037 0.032 0.000 0.652 265 A CB -1.018 18.018 19.000 0.060 0.000 0.808 265 A HN 0.757 nan 8.150 nan 0.000 0.449 266 G N -0.178 108.614 108.800 -0.012 0.000 2.652 266 G HA2 -0.434 3.527 3.960 0.001 0.000 0.318 266 G HA3 -0.434 3.527 3.960 0.001 0.000 0.318 266 G C 1.365 176.272 174.900 0.013 0.000 1.295 266 G CA 2.185 47.288 45.100 0.005 0.000 0.999 266 G HN 1.576 nan 8.290 nan 0.000 0.548 267 S N 0.203 115.906 115.700 0.005 0.000 2.555 267 S HA 0.091 4.561 4.470 0.001 0.000 0.230 267 S C 2.314 176.917 174.600 0.005 0.000 0.978 267 S CA 1.701 59.905 58.200 0.007 0.000 0.934 267 S CB -0.290 62.912 63.200 0.003 0.000 0.766 267 S HN 1.986 nan 8.310 nan 0.000 0.533 268 S N 0.875 116.576 115.700 0.001 0.000 2.515 268 S HA 0.218 4.689 4.470 0.001 0.000 0.231 268 S C 0.491 175.097 174.600 0.010 0.000 0.987 268 S CA -0.150 58.052 58.200 0.003 0.000 0.936 268 S CB -0.594 62.606 63.200 0.000 0.000 0.766 268 S HN 0.550 nan 8.310 nan 0.000 0.528 269 L N 1.297 122.529 121.223 0.015 0.000 2.322 269 L HA 0.502 4.843 4.340 0.001 0.000 0.281 269 L C -0.532 176.349 176.870 0.020 0.000 1.014 269 L CA -0.695 54.157 54.840 0.019 0.000 0.815 269 L CB 1.912 43.986 42.059 0.025 0.000 1.247 269 L HN -0.004 nan 8.230 nan 0.000 0.421 270 K N 4.719 125.129 120.400 0.017 0.000 2.299 270 K HA 0.386 4.707 4.320 0.001 0.000 0.268 270 K C 0.194 176.805 176.600 0.019 0.000 1.075 270 K CA -0.114 56.183 56.287 0.017 0.000 0.936 270 K CB 1.039 33.547 32.500 0.012 0.000 1.228 270 K HN 0.538 nan 8.250 nan 0.000 0.454 271 L N 2.337 123.573 121.223 0.023 0.000 2.728 271 L HA 0.016 4.356 4.340 0.001 0.000 0.238 271 L C 1.402 178.284 176.870 0.020 0.000 1.143 271 L CA -0.031 54.825 54.840 0.026 0.000 0.937 271 L CB 0.031 42.112 42.059 0.036 0.000 1.225 271 L HN 0.681 nan 8.230 nan 0.000 0.507 272 D N 0.031 120.440 120.400 0.015 0.000 2.350 272 D HA -0.176 4.465 4.640 0.001 0.000 0.216 272 D C 1.775 178.077 176.300 0.003 0.000 0.968 272 D CA 1.311 55.315 54.000 0.007 0.000 0.894 272 D CB 0.197 40.999 40.800 0.004 0.000 0.909 272 D HN 0.380 nan 8.370 nan 0.000 0.520 273 S N 0.230 115.936 115.700 0.011 0.000 2.423 273 S HA -0.126 4.344 4.470 0.001 0.000 0.231 273 S C 1.127 175.735 174.600 0.014 0.000 1.014 273 S CA -0.299 57.910 58.200 0.015 0.000 0.965 273 S CB -0.628 62.586 63.200 0.024 0.000 0.785 273 S HN 0.226 nan 8.310 nan 0.000 0.495 274 L N 3.131 124.362 121.223 0.014 0.000 2.565 274 L HA 0.313 4.653 4.340 0.001 0.000 0.275 274 L C 1.142 177.995 176.870 -0.028 0.000 1.137 274 L CA 0.053 54.903 54.840 0.015 0.000 0.915 274 L CB 0.109 42.186 42.059 0.029 0.000 1.232 274 L HN 0.095 nan 8.230 nan 0.000 0.473 275 R N 3.289 123.746 120.500 -0.072 0.000 2.307 275 R HA 0.257 4.598 4.340 0.001 0.000 0.200 275 R C -0.363 175.626 176.300 -0.519 0.000 0.893 275 R CA 0.151 56.085 56.100 -0.277 0.000 1.042 275 R CB 0.298 30.401 30.300 -0.329 0.000 1.059 275 R HN 0.638 nan 8.270 nan 0.000 0.530 276 H N -0.069 119.006 119.070 0.008 0.000 2.840 276 H HA 0.328 4.885 4.556 0.001 0.000 0.340 276 H C -0.989 174.335 175.328 -0.007 0.000 1.004 276 H CA -0.579 55.461 56.048 -0.014 0.000 1.288 276 H CB 2.531 32.267 29.762 -0.043 0.000 1.607 276 H HN -0.265 nan 8.280 nan 0.000 0.522 277 V N 4.130 124.102 119.914 0.096 0.000 2.349 277 V HA 0.235 4.355 4.120 0.001 0.000 0.284 277 V C 0.065 176.194 176.094 0.058 0.000 1.014 277 V CA -0.401 61.963 62.300 0.108 0.000 0.826 277 V CB 1.545 33.455 31.823 0.145 0.000 1.009 277 V HN 0.767 nan 8.190 nan 0.000 0.431 278 T N 5.827 120.349 114.554 -0.054 0.000 2.856 278 T HA 0.799 5.149 4.350 0.001 0.000 0.283 278 T C -0.640 174.001 174.700 -0.099 0.000 1.008 278 T CA -0.281 61.577 62.100 -0.402 0.000 0.997 278 T CB 1.274 69.588 68.868 -0.922 0.000 0.992 278 T HN 0.429 nan 8.240 nan 0.000 0.454 279 F N -0.072 119.854 119.950 -0.040 0.000 2.576 279 F HA 0.958 5.486 4.527 0.001 0.000 0.313 279 F C -0.229 175.757 175.800 0.309 0.000 1.078 279 F CA -1.394 56.719 58.000 0.189 0.000 0.921 279 F CB 1.375 40.439 39.000 0.106 0.000 1.232 279 F HN 0.817 nan 8.300 nan 0.000 0.459 280 A N 0.695 123.846 122.820 0.551 0.000 2.564 280 A HA 0.781 5.101 4.320 0.001 0.000 0.291 280 A C 0.296 178.002 177.584 0.202 0.000 1.102 280 A CA -0.340 51.914 52.037 0.362 0.000 0.660 280 A CB 0.929 20.182 19.000 0.421 0.000 1.283 280 A HN 2.203 nan 8.150 nan 0.000 0.430 281 G N -1.731 107.126 108.800 0.095 0.000 2.253 281 G HA2 0.503 4.464 3.960 0.001 0.000 0.209 281 G HA3 0.503 4.464 3.960 0.001 0.000 0.209 281 G C 0.460 175.390 174.900 0.050 0.000 0.997 281 G CA 1.058 46.175 45.100 0.028 0.000 0.640 281 G HN 2.716 nan 8.290 nan 0.000 0.496 282 A N -1.172 121.709 122.820 0.102 0.000 2.566 282 A HA 0.746 5.066 4.320 0.001 0.000 0.290 282 A C -0.157 177.513 177.584 0.143 0.000 1.071 282 A CA 0.547 52.650 52.037 0.110 0.000 0.658 282 A CB 0.117 19.178 19.000 0.102 0.000 1.285 282 A HN 1.047 nan 8.150 nan 0.000 0.427 283 T N 1.871 116.503 114.554 0.131 0.000 2.829 283 T HA 0.311 4.662 4.350 0.001 0.000 0.293 283 T C 0.462 175.223 174.700 0.102 0.000 0.970 283 T CA 0.702 62.878 62.100 0.126 0.000 1.168 283 T CB -0.424 68.502 68.868 0.097 0.000 0.911 283 T HN 0.740 nan 8.240 nan 0.000 0.535 284 M N 7.929 127.599 119.600 0.116 0.000 2.220 284 M HA 0.294 4.774 4.480 0.001 0.000 0.343 284 M C -2.497 173.809 176.300 0.009 0.000 1.470 284 M CA -2.297 53.026 55.300 0.039 0.000 1.161 284 M CB 0.110 32.738 32.600 0.046 0.000 1.737 284 M HN 0.154 nan 8.290 nan 0.000 0.464 285 P HA 0.120 nan 4.420 nan 0.000 0.271 285 P C -0.268 177.021 177.300 -0.018 0.000 1.218 285 P CA -0.081 63.017 63.100 -0.003 0.000 0.780 285 P CB 0.628 32.325 31.700 -0.004 0.000 0.901 286 D N 1.765 122.168 120.400 0.005 0.000 2.178 286 D HA -0.141 4.500 4.640 0.001 0.000 0.201 286 D C 1.907 178.209 176.300 0.004 0.000 0.980 286 D CA 1.625 55.632 54.000 0.012 0.000 0.842 286 D CB -0.536 40.280 40.800 0.027 0.000 0.948 286 D HN 0.366 nan 8.370 nan 0.000 0.472 287 A N 0.378 123.199 122.820 0.000 0.000 1.930 287 A HA -0.115 4.206 4.320 0.001 0.000 0.217 287 A C 2.461 180.034 177.584 -0.017 0.000 1.175 287 A CA 1.043 53.081 52.037 0.001 0.000 0.627 287 A CB -0.571 18.433 19.000 0.006 0.000 0.815 287 A HN 0.152 nan 8.150 nan 0.000 0.443 288 V N -0.285 119.599 119.914 -0.049 0.000 2.307 288 V HA -0.208 3.912 4.120 0.001 0.000 0.245 288 V C 2.457 178.468 176.094 -0.137 0.000 1.045 288 V CA 1.801 64.046 62.300 -0.092 0.000 1.024 288 V CB -0.826 30.921 31.823 -0.128 0.000 0.651 288 V HN 0.573 nan 8.190 nan 0.000 0.449 289 L N 0.554 121.686 121.223 -0.153 0.000 2.042 289 L HA -0.207 4.134 4.340 0.001 0.000 0.210 289 L C 2.443 179.258 176.870 -0.092 0.000 1.076 289 L CA 2.392 57.109 54.840 -0.206 0.000 0.749 289 L CB -0.776 41.221 42.059 -0.104 0.000 0.893 289 L HN 0.487 nan 8.230 nan 0.000 0.432 290 E N -1.613 118.597 120.200 0.017 0.000 2.058 290 E HA -0.270 4.081 4.350 0.001 0.000 0.194 290 E C 2.079 178.713 176.600 0.057 0.000 0.997 290 E CA 1.720 58.167 56.400 0.079 0.000 0.801 290 E CB -0.197 29.536 29.700 0.055 0.000 0.746 290 E HN 0.539 nan 8.360 nan 0.000 0.450 291 T N -0.658 113.922 114.554 0.042 0.000 2.904 291 T HA -0.059 4.292 4.350 0.001 0.000 0.267 291 T C 1.784 176.544 174.700 0.098 0.000 1.059 291 T CA 0.990 63.161 62.100 0.117 0.000 1.137 291 T CB -0.043 68.910 68.868 0.142 0.000 0.879 291 T HN 0.047 nan 8.240 nan 0.000 0.467 292 V N 1.383 121.284 119.914 -0.021 0.000 2.295 292 V HA -0.162 3.959 4.120 0.001 0.000 0.246 292 V C 2.516 178.586 176.094 -0.040 0.000 1.049 292 V CA 1.901 64.156 62.300 -0.074 0.000 1.024 292 V CB -0.687 30.986 31.823 -0.249 0.000 0.648 292 V HN 0.587 nan 8.190 nan 0.000 0.447 293 H N -0.435 118.629 119.070 -0.010 0.000 2.387 293 H HA -0.173 4.384 4.556 0.001 0.000 0.299 293 H C 2.344 177.631 175.328 -0.069 0.000 1.090 293 H CA 2.031 58.071 56.048 -0.015 0.000 1.332 293 H CB -0.059 29.696 29.762 -0.012 0.000 1.386 293 H HN 0.516 nan 8.280 nan 0.000 0.516 294 Q N -0.432 119.353 119.800 -0.024 0.000 2.137 294 Q HA -0.097 4.243 4.340 0.001 0.000 0.198 294 Q C 1.084 176.847 176.000 -0.395 0.000 0.960 294 Q CA 0.969 56.596 55.803 -0.294 0.000 0.847 294 Q CB 0.388 28.807 28.738 -0.532 0.000 0.915 294 Q HN 0.580 nan 8.270 nan 0.000 0.448 295 H N -1.696 117.399 119.070 0.041 0.000 3.046 295 H HA 0.295 4.851 4.556 0.001 0.000 0.262 295 H C -0.188 175.159 175.328 0.032 0.000 1.044 295 H CA 0.078 56.145 56.048 0.031 0.000 1.209 295 H CB 0.935 30.712 29.762 0.025 0.000 1.507 295 H HN 0.111 nan 8.280 nan 0.000 0.507 296 L N 3.374 124.666 121.223 0.114 0.000 2.346 296 L HA 0.380 4.721 4.340 0.001 0.000 0.276 296 L C -2.183 174.727 176.870 0.066 0.000 1.006 296 L CA -1.914 52.978 54.840 0.086 0.000 0.817 296 L CB 2.326 44.431 42.059 0.078 0.000 1.272 296 L HN -0.085 nan 8.230 nan 0.000 0.421 297 P HA 0.425 nan 4.420 nan 0.000 0.282 297 P C -0.081 177.237 177.300 0.029 0.000 1.287 297 P CA 0.023 63.144 63.100 0.036 0.000 0.792 297 P CB 1.075 32.788 31.700 0.023 0.000 1.163 298 G N -0.931 107.870 108.800 0.001 0.000 2.730 298 G HA2 -0.152 3.808 3.960 0.001 0.000 0.686 298 G HA3 -0.152 3.808 3.960 0.001 0.000 0.686 298 G C -0.712 174.185 174.900 -0.005 0.000 1.343 298 G CA -0.550 44.526 45.100 -0.040 0.000 0.826 298 G HN 0.771 nan 8.290 nan 0.000 0.582 299 E N 0.376 120.547 120.200 -0.047 0.000 2.344 299 E HA 0.305 4.656 4.350 0.001 0.000 0.270 299 E C 0.064 176.703 176.600 0.066 0.000 1.021 299 E CA -0.416 55.997 56.400 0.021 0.000 0.887 299 E CB 0.313 30.022 29.700 0.014 0.000 0.997 299 E HN 0.289 nan 8.360 nan 0.000 0.429 300 K N 3.373 123.841 120.400 0.113 0.000 2.211 300 K HA 0.348 4.668 4.320 0.001 0.000 0.275 300 K C -0.900 175.692 176.600 -0.014 0.000 1.024 300 K CA -0.682 55.685 56.287 0.133 0.000 0.887 300 K CB 1.653 34.303 32.500 0.249 0.000 1.084 300 K HN 0.233 nan 8.250 nan 0.000 0.463 301 V N 2.749 122.485 119.914 -0.296 0.000 2.577 301 V HA 0.209 4.330 4.120 0.001 0.000 0.303 301 V C -0.275 175.257 176.094 -0.937 0.000 1.042 301 V CA -1.118 60.954 62.300 -0.380 0.000 0.872 301 V CB 1.923 33.644 31.823 -0.169 0.000 0.998 301 V HN 0.636 nan 8.190 nan 0.000 0.423 302 N N 4.486 122.784 118.700 -0.669 0.000 2.455 302 N HA 0.430 5.171 4.740 0.001 0.000 0.280 302 N C -1.040 174.397 175.510 -0.123 0.000 1.055 302 N CA -0.397 52.324 53.050 -0.549 0.000 0.961 302 N CB 1.010 39.480 38.487 -0.029 0.000 1.121 302 N HN 0.502 nan 8.380 nan 0.000 0.476 303 I N 4.223 124.775 120.570 -0.029 0.000 2.382 303 I HA 0.140 4.310 4.170 0.001 0.000 0.286 303 I C -0.579 175.661 176.117 0.204 0.000 1.002 303 I CA -0.738 60.649 61.300 0.146 0.000 1.135 303 I CB 0.612 38.732 38.000 0.200 0.000 1.288 303 I HN 0.507 nan 8.210 nan 0.000 0.448 304 Y N 6.252 126.609 120.300 0.095 0.000 2.313 304 Y HA 0.688 5.238 4.550 0.001 0.000 0.332 304 Y C 0.316 176.228 175.900 0.020 0.000 1.071 304 Y CA 0.199 58.340 58.100 0.068 0.000 1.169 304 Y CB 1.357 39.851 38.460 0.056 0.000 1.192 304 Y HN 0.673 nan 8.280 nan 0.000 0.487 305 G N 2.513 110.882 108.800 -0.718 0.000 2.548 305 G HA2 0.512 4.473 3.960 0.001 0.000 0.301 305 G HA3 0.512 4.473 3.960 0.001 0.000 0.301 305 G C -1.473 173.095 174.900 -0.553 0.000 1.349 305 G CA -0.501 44.261 45.100 -0.564 0.000 0.792 305 G HN 0.858 nan 8.290 nan 0.000 0.481 306 T N -3.746 110.601 114.554 -0.346 0.000 2.883 306 T HA 0.559 4.910 4.350 0.001 0.000 0.301 306 T C 0.992 175.525 174.700 -0.277 0.000 1.158 306 T CA 0.418 62.363 62.100 -0.258 0.000 1.007 306 T CB 1.432 70.224 68.868 -0.127 0.000 1.186 306 T HN 0.436 nan 8.240 nan 0.000 0.499 307 T N 1.191 115.597 114.554 -0.248 0.000 2.699 307 T HA -0.111 4.240 4.350 0.001 0.000 0.268 307 T C 1.558 176.035 174.700 -0.373 0.000 1.036 307 T CA 2.138 64.086 62.100 -0.253 0.000 1.147 307 T CB -0.369 68.418 68.868 -0.136 0.000 0.862 307 T HN 0.775 nan 8.240 nan 0.000 0.446 308 E N 0.844 120.672 120.200 -0.619 0.000 2.107 308 E HA 0.168 4.519 4.350 0.001 0.000 0.191 308 E C 1.853 178.080 176.600 -0.621 0.000 0.982 308 E CA 1.016 56.800 56.400 -1.028 0.000 0.809 308 E CB -0.043 28.390 29.700 -2.112 0.000 0.756 308 E HN 0.492 nan 8.360 nan 0.000 0.459 309 A N -1.194 121.330 122.820 -0.493 0.000 2.551 309 A HA 0.496 4.817 4.320 0.001 0.000 0.252 309 A C 0.638 178.080 177.584 -0.237 0.000 1.199 309 A CA 0.149 52.030 52.037 -0.260 0.000 0.972 309 A CB 0.022 18.959 19.000 -0.105 0.000 1.153 309 A HN 0.116 nan 8.150 nan 0.000 0.559 310 M N -0.893 118.529 119.600 -0.297 0.000 7.319 310 M HA -0.274 4.206 4.480 0.001 0.000 0.254 310 M C -0.099 175.980 176.300 -0.368 0.000 0.480 310 M CA 1.694 56.781 55.300 -0.355 0.000 1.311 310 M CB -1.024 31.335 32.600 -0.402 0.000 0.421 310 M HN 0.577 nan 8.290 nan 0.000 0.651 311 N N 0.066 118.435 118.700 -0.550 0.000 2.497 311 N HA 0.443 5.183 4.740 0.001 0.000 0.268 311 N C -0.219 175.223 175.510 -0.113 0.000 1.171 311 N CA 0.953 53.734 53.050 -0.450 0.000 0.948 311 N CB 0.816 38.796 38.487 -0.845 0.000 1.069 311 N HN 0.487 nan 8.380 nan 0.000 0.460 312 S N 1.773 117.525 115.700 0.085 0.000 2.663 312 S HA 0.362 4.832 4.470 0.001 0.000 0.247 312 S C -0.281 174.466 174.600 0.244 0.000 1.074 312 S CA -0.215 58.110 58.200 0.208 0.000 0.955 312 S CB 0.402 63.791 63.200 0.315 0.000 0.901 312 S HN 0.448 nan 8.310 nan 0.000 0.505 313 L N 1.330 122.741 121.223 0.313 0.000 2.376 313 L HA 0.682 5.023 4.340 0.001 0.000 0.258 313 L C -1.157 175.929 176.870 0.359 0.000 1.013 313 L CA -1.201 53.798 54.840 0.265 0.000 0.822 313 L CB 2.048 44.153 42.059 0.075 0.000 1.388 313 L HN 0.326 nan 8.230 nan 0.000 0.413 314 Y N 1.170 121.525 120.300 0.091 0.000 2.670 314 Y HA 0.879 5.429 4.550 0.001 0.000 0.334 314 Y C -1.497 174.430 175.900 0.045 0.000 1.185 314 Y CA -1.882 56.258 58.100 0.067 0.000 1.053 314 Y CB 1.905 40.408 38.460 0.073 0.000 1.298 314 Y HN 0.546 nan 8.280 nan 0.000 0.459 315 M N 2.628 122.110 119.600 -0.197 0.000 2.255 315 M HA 0.480 4.961 4.480 0.001 0.000 0.275 315 M C -1.941 174.270 176.300 -0.148 0.000 1.050 315 M CA -0.758 54.369 55.300 -0.289 0.000 0.978 315 M CB 2.010 34.548 32.600 -0.102 0.000 1.761 315 M HN 0.762 nan 8.290 nan 0.000 0.479 316 R N 3.367 123.773 120.500 -0.156 0.000 2.441 316 R HA 0.373 4.714 4.340 0.001 0.000 0.284 316 R C -0.281 176.035 176.300 0.027 0.000 1.070 316 R CA -0.507 55.590 56.100 -0.005 0.000 1.047 316 R CB 0.535 30.859 30.300 0.040 0.000 1.016 316 R HN 0.697 nan 8.270 nan 0.000 0.477 317 Q N 0.295 120.150 119.800 0.092 0.000 2.431 317 Q HA -0.137 4.204 4.340 0.001 0.000 0.344 317 Q C -2.111 173.998 176.000 0.182 0.000 1.384 317 Q CA 0.538 56.444 55.803 0.172 0.000 0.984 317 Q CB -1.558 27.237 28.738 0.094 0.000 1.204 317 Q HN 0.535 nan 8.270 nan 0.000 0.392 318 P HA 0.016 nan 4.420 nan 0.000 0.268 318 P C 0.406 177.859 177.300 0.256 0.000 1.205 318 P CA 0.141 63.360 63.100 0.198 0.000 0.771 318 P CB 0.694 32.527 31.700 0.223 0.000 0.858 319 K N 0.246 120.729 120.400 0.137 0.000 2.284 319 K HA 0.073 4.394 4.320 0.001 0.000 0.198 319 K C 1.053 177.717 176.600 0.107 0.000 1.048 319 K CA 0.831 57.179 56.287 0.102 0.000 0.987 319 K CB 0.137 32.660 32.500 0.039 0.000 0.800 319 K HN 0.646 nan 8.250 nan 0.000 0.486 320 T N -4.236 110.379 114.554 0.101 0.000 2.901 320 T HA 0.405 4.756 4.350 0.001 0.000 0.293 320 T C 0.922 175.685 174.700 0.106 0.000 1.084 320 T CA -0.777 61.374 62.100 0.085 0.000 1.008 320 T CB 1.921 70.822 68.868 0.055 0.000 1.170 320 T HN 0.017 nan 8.240 nan 0.000 0.509 321 G N -0.226 108.629 108.800 0.092 0.000 2.712 321 G HA2 0.119 4.079 3.960 0.001 0.000 0.212 321 G HA3 0.119 4.079 3.960 0.001 0.000 0.212 321 G C 1.172 176.137 174.900 0.108 0.000 1.142 321 G CA 0.807 45.978 45.100 0.118 0.000 0.789 321 G HN 0.992 nan 8.290 nan 0.000 0.535 322 T N -2.197 112.398 114.554 0.068 0.000 3.022 322 T HA 0.265 4.616 4.350 0.001 0.000 0.250 322 T C 0.401 175.104 174.700 0.005 0.000 1.060 322 T CA -0.128 61.995 62.100 0.038 0.000 1.013 322 T CB 0.596 69.476 68.868 0.020 0.000 0.982 322 T HN 0.131 nan 8.240 nan 0.000 0.508 323 E N 0.956 121.165 120.200 0.014 0.000 2.134 323 E HA 0.713 5.064 4.350 0.001 0.000 0.278 323 E C -0.729 175.861 176.600 -0.017 0.000 0.959 323 E CA -0.072 56.320 56.400 -0.014 0.000 0.783 323 E CB 1.498 31.198 29.700 0.001 0.000 1.095 323 E HN 0.381 nan 8.360 nan 0.000 0.399 324 M N 1.374 120.942 119.600 -0.053 0.000 2.664 324 M HA 0.790 5.270 4.480 0.001 0.000 0.279 324 M C -1.350 174.915 176.300 -0.058 0.000 1.275 324 M CA -0.919 54.349 55.300 -0.053 0.000 0.829 324 M CB 2.363 34.960 32.600 -0.006 0.000 1.727 324 M HN 0.519 nan 8.290 nan 0.000 0.459 325 A N 1.119 123.918 122.820 -0.035 0.000 2.498 325 A HA 0.962 5.282 4.320 0.001 0.000 0.298 325 A C -2.906 174.777 177.584 0.167 0.000 1.075 325 A CA -1.579 50.489 52.037 0.052 0.000 0.714 325 A CB 1.388 20.419 19.000 0.052 0.000 1.299 325 A HN 0.419 nan 8.150 nan 0.000 0.407 326 P HA 0.326 nan 4.420 nan 0.000 0.271 326 P C 0.295 177.796 177.300 0.334 0.000 1.216 326 P CA 0.490 63.745 63.100 0.257 0.000 0.776 326 P CB 1.229 33.060 31.700 0.218 0.000 0.881 327 G N 2.065 111.065 108.800 0.332 0.000 2.828 327 G HA2 0.410 4.370 3.960 0.001 0.000 0.244 327 G HA3 0.410 4.370 3.960 0.001 0.000 0.244 327 G C -1.037 173.947 174.900 0.140 0.000 1.365 327 G CA -0.803 44.444 45.100 0.245 0.000 1.041 327 G HN 0.389 nan 8.290 nan 0.000 0.560 328 F N -0.668 119.232 119.950 -0.084 0.000 2.553 328 F HA 0.344 4.872 4.527 0.001 0.000 0.356 328 F C 0.937 176.632 175.800 -0.175 0.000 1.142 328 F CA 0.805 58.659 58.000 -0.243 0.000 1.322 328 F CB 0.127 38.843 39.000 -0.474 0.000 1.126 328 F HN 0.431 nan 8.300 nan 0.000 0.599 329 F N 0.009 119.658 119.950 -0.501 0.000 2.498 329 F HA -0.296 4.231 4.527 0.001 0.000 0.563 329 F C 0.811 176.512 175.800 -0.165 0.000 0.514 329 F CA 0.723 58.560 58.000 -0.270 0.000 1.189 329 F CB -1.995 36.987 39.000 -0.029 0.000 1.924 329 F HN 0.340 nan 8.300 nan 0.000 0.261 330 S N 0.490 116.222 115.700 0.054 0.000 2.578 330 S HA 0.571 5.041 4.470 0.001 0.000 0.283 330 S C -0.269 174.372 174.600 0.069 0.000 1.195 330 S CA -0.610 57.642 58.200 0.087 0.000 1.050 330 S CB 2.514 65.797 63.200 0.137 0.000 1.012 330 S HN 0.302 nan 8.310 nan 0.000 0.511 331 E N 1.572 121.834 120.200 0.104 0.000 2.278 331 E HA 0.531 4.881 4.350 0.001 0.000 0.272 331 E C -1.453 175.334 176.600 0.311 0.000 0.890 331 E CA -0.708 55.789 56.400 0.163 0.000 0.770 331 E CB 1.470 31.218 29.700 0.080 0.000 1.212 331 E HN 0.513 nan 8.360 nan 0.000 0.415 332 V N 1.143 121.275 119.914 0.363 0.000 3.001 332 V HA 0.802 4.923 4.120 0.001 0.000 0.314 332 V C -0.760 175.541 176.094 0.345 0.000 1.099 332 V CA -0.835 61.690 62.300 0.374 0.000 0.989 332 V CB 2.066 34.014 31.823 0.207 0.000 1.040 332 V HN 0.723 nan 8.190 nan 0.000 0.434 333 R N 1.764 122.363 120.500 0.165 0.000 2.774 333 R HA 0.730 5.071 4.340 0.001 0.000 0.272 333 R C -1.591 174.702 176.300 -0.011 0.000 1.000 333 R CA -0.811 55.310 56.100 0.035 0.000 0.906 333 R CB 2.617 32.711 30.300 -0.344 0.000 1.227 333 R HN 0.802 nan 8.270 nan 0.000 0.468 334 I N 2.903 123.504 120.570 0.051 0.000 2.382 334 I HA 0.333 4.503 4.170 0.001 0.000 0.286 334 I C -0.106 175.992 176.117 -0.032 0.000 1.002 334 I CA -0.897 60.383 61.300 -0.033 0.000 1.135 334 I CB 1.782 39.741 38.000 -0.069 0.000 1.288 334 I HN 0.309 nan 8.210 nan 0.000 0.448 335 V N 3.039 122.904 119.914 -0.081 0.000 3.019 335 V HA 0.587 4.708 4.120 0.001 0.000 0.317 335 V C 0.112 176.170 176.094 -0.059 0.000 1.094 335 V CA -1.175 61.073 62.300 -0.086 0.000 1.000 335 V CB 1.741 33.477 31.823 -0.145 0.000 1.060 335 V HN 0.834 nan 8.190 nan 0.000 0.443 336 R N 1.426 121.897 120.500 -0.048 0.000 2.538 336 R HA 0.263 4.603 4.340 0.001 0.000 0.282 336 R C -0.286 175.993 176.300 -0.036 0.000 1.009 336 R CA -0.173 55.907 56.100 -0.034 0.000 1.063 336 R CB 0.017 30.301 30.300 -0.027 0.000 0.945 336 R HN 0.771 nan 8.270 nan 0.000 0.414 337 I N 4.695 125.248 120.570 -0.028 0.000 2.662 337 I HA -0.037 4.133 4.170 0.001 0.000 0.285 337 I C 1.476 177.582 176.117 -0.018 0.000 1.161 337 I CA 1.628 62.913 61.300 -0.025 0.000 1.415 337 I CB 0.813 38.802 38.000 -0.018 0.000 1.385 337 I HN 1.072 nan 8.210 nan 0.000 0.552 338 G N 4.052 112.841 108.800 -0.017 0.000 2.179 338 G HA2 -0.192 3.769 3.960 0.001 0.000 0.260 338 G HA3 -0.192 3.769 3.960 0.001 0.000 0.260 338 G C 0.452 175.344 174.900 -0.013 0.000 0.977 338 G CA -0.040 45.054 45.100 -0.011 0.000 0.641 338 G HN 1.001 nan 8.290 nan 0.000 0.533 339 G N -0.466 108.319 108.800 -0.024 0.000 2.511 339 G HA2 0.754 4.714 3.960 0.001 0.000 0.316 339 G HA3 0.754 4.714 3.960 0.001 0.000 0.316 339 G C 0.684 175.563 174.900 -0.036 0.000 1.210 339 G CA 0.186 45.270 45.100 -0.027 0.000 0.969 339 G HN 1.140 nan 8.290 nan 0.000 0.492 340 G N -1.848 106.930 108.800 -0.037 0.000 2.599 340 G HA2 0.415 4.376 3.960 0.001 0.000 0.264 340 G HA3 0.415 4.376 3.960 0.001 0.000 0.264 340 G C 1.323 176.168 174.900 -0.092 0.000 1.200 340 G CA 0.302 45.377 45.100 -0.041 0.000 0.896 340 G HN 1.282 nan 8.290 nan 0.000 0.536 341 V N -2.007 117.840 119.914 -0.112 0.000 2.867 341 V HA -0.045 4.075 4.120 0.001 0.000 0.260 341 V C 1.333 177.222 176.094 -0.342 0.000 1.099 341 V CA 2.114 64.245 62.300 -0.282 0.000 1.122 341 V CB -0.338 31.312 31.823 -0.289 0.000 0.708 341 V HN 0.434 nan 8.190 nan 0.000 0.490 342 D N 0.401 120.702 120.400 -0.166 0.000 2.350 342 D HA 0.076 4.717 4.640 0.001 0.000 0.213 342 D C 1.060 177.301 176.300 -0.100 0.000 1.031 342 D CA 0.417 54.346 54.000 -0.119 0.000 0.861 342 D CB 0.013 40.789 40.800 -0.040 0.000 0.926 342 D HN 0.653 nan 8.370 nan 0.000 0.520 343 E N 0.939 121.080 120.200 -0.099 0.000 2.261 343 E HA 0.134 4.484 4.350 0.001 0.000 0.308 343 E C 0.054 176.611 176.600 -0.070 0.000 1.400 343 E CA -0.224 56.136 56.400 -0.068 0.000 1.542 343 E CB 0.042 29.711 29.700 -0.052 0.000 1.369 343 E HN 0.247 nan 8.360 nan 0.000 0.493 344 I N 2.049 122.575 120.570 -0.073 0.000 2.752 344 I HA -0.106 4.064 4.170 0.001 0.000 0.289 344 I C 0.846 176.954 176.117 -0.015 0.000 1.197 344 I CA -0.068 61.203 61.300 -0.049 0.000 1.432 344 I CB 0.277 38.252 38.000 -0.043 0.000 1.359 344 I HN 0.093 nan 8.210 nan 0.000 0.571 345 V N 4.288 124.209 119.914 0.011 0.000 3.003 345 V HA 0.567 4.688 4.120 0.001 0.000 0.305 345 V C 0.677 176.795 176.094 0.041 0.000 1.078 345 V CA -1.015 61.300 62.300 0.025 0.000 1.083 345 V CB 1.096 32.939 31.823 0.033 0.000 1.039 345 V HN 0.815 nan 8.190 nan 0.000 0.481 346 A N 2.786 125.623 122.820 0.028 0.000 2.488 346 A HA 0.503 4.823 4.320 0.001 0.000 0.249 346 A C 0.949 178.565 177.584 0.053 0.000 1.083 346 A CA 0.371 52.422 52.037 0.022 0.000 0.768 346 A CB -1.236 17.770 19.000 0.010 0.000 1.017 346 A HN 2.026 nan 8.150 nan 0.000 0.496 347 N N 0.685 119.407 118.700 0.037 0.000 2.294 347 N HA 0.441 5.181 4.740 0.001 0.000 0.263 347 N C 1.525 177.088 175.510 0.089 0.000 1.281 347 N CA 0.979 54.076 53.050 0.078 0.000 0.846 347 N CB -0.043 38.426 38.487 -0.029 0.000 1.061 347 N HN 2.358 nan 8.380 nan 0.000 0.478 348 G N -0.505 108.377 108.800 0.137 0.000 2.234 348 G HA2 -0.172 3.788 3.960 0.001 0.000 0.235 348 G HA3 -0.172 3.788 3.960 0.001 0.000 0.235 348 G C -0.052 174.884 174.900 0.060 0.000 0.997 348 G CA 0.309 45.460 45.100 0.086 0.000 0.623 348 G HN 0.805 nan 8.290 nan 0.000 0.514 349 E N 1.435 121.672 120.200 0.062 0.000 2.266 349 E HA 0.416 4.767 4.350 0.001 0.000 0.277 349 E C 0.217 176.834 176.600 0.028 0.000 1.018 349 E CA -0.354 56.068 56.400 0.037 0.000 0.840 349 E CB 1.118 30.836 29.700 0.029 0.000 1.082 349 E HN 0.619 nan 8.360 nan 0.000 0.395 350 E N 0.448 120.651 120.200 0.005 0.000 2.366 350 E HA 0.525 4.875 4.350 0.001 0.000 0.266 350 E C 0.160 176.747 176.600 -0.022 0.000 1.051 350 E CA -0.358 56.032 56.400 -0.017 0.000 0.884 350 E CB 1.189 30.877 29.700 -0.020 0.000 1.006 350 E HN 0.603 nan 8.360 nan 0.000 0.417 351 G N 1.083 109.857 108.800 -0.043 0.000 2.561 351 G HA2 0.143 4.104 3.960 0.001 0.000 0.310 351 G HA3 0.143 4.104 3.960 0.001 0.000 0.310 351 G C -1.444 173.419 174.900 -0.063 0.000 1.292 351 G CA -0.775 44.299 45.100 -0.044 0.000 0.811 351 G HN 0.489 nan 8.290 nan 0.000 0.482 352 E N -0.150 120.013 120.200 -0.062 0.000 2.259 352 E HA 0.354 4.704 4.350 0.001 0.000 0.281 352 E C -0.464 176.081 176.600 -0.091 0.000 1.037 352 E CA -0.645 55.713 56.400 -0.069 0.000 0.854 352 E CB 1.064 30.726 29.700 -0.062 0.000 1.051 352 E HN 0.377 nan 8.360 nan 0.000 0.409 353 L N 7.205 128.369 121.223 -0.099 0.000 2.477 353 L HA 0.226 4.567 4.340 0.001 0.000 0.272 353 L C -0.515 176.329 176.870 -0.044 0.000 1.157 353 L CA 0.445 55.222 54.840 -0.105 0.000 0.889 353 L CB 0.170 42.138 42.059 -0.152 0.000 1.158 353 L HN 0.454 nan 8.230 nan 0.000 0.473 354 I N 4.136 124.695 120.570 -0.019 0.000 2.740 354 I HA 0.835 5.006 4.170 0.001 0.000 0.303 354 I C -0.832 175.452 176.117 0.278 0.000 1.044 354 I CA -1.028 60.315 61.300 0.071 0.000 1.064 354 I CB 2.204 40.195 38.000 -0.015 0.000 1.249 354 I HN 0.465 nan 8.210 nan 0.000 0.433 355 V N 1.624 121.811 119.914 0.455 0.000 2.789 355 V HA 0.889 5.010 4.120 0.001 0.000 0.311 355 V C 0.248 176.612 176.094 0.450 0.000 1.073 355 V CA -0.626 61.963 62.300 0.482 0.000 0.921 355 V CB 1.212 33.240 31.823 0.342 0.000 1.009 355 V HN 1.175 nan 8.190 nan 0.000 0.426 356 A N 3.287 126.168 122.820 0.102 0.000 2.520 356 A HA 0.664 4.984 4.320 0.001 0.000 0.245 356 A C 0.817 178.306 177.584 -0.159 0.000 1.072 356 A CA 0.322 52.088 52.037 -0.451 0.000 0.761 356 A CB 0.120 18.755 19.000 -0.609 0.000 1.004 356 A HN 2.332 nan 8.150 nan 0.000 0.499 357 A N 3.697 126.410 122.820 -0.179 0.000 2.666 357 A HA 0.536 4.856 4.320 0.001 0.000 0.312 357 A C 0.932 178.443 177.584 -0.121 0.000 1.471 357 A CA 0.185 52.188 52.037 -0.058 0.000 1.134 357 A CB -0.819 18.187 19.000 0.010 0.000 1.129 357 A HN 1.397 nan 8.150 nan 0.000 0.539 358 S N 0.992 116.629 115.700 -0.104 0.000 2.589 358 S HA 0.357 4.827 4.470 0.001 0.000 0.272 358 S C 0.652 175.202 174.600 -0.084 0.000 1.096 358 S CA -0.078 58.063 58.200 -0.100 0.000 0.985 358 S CB 0.052 63.198 63.200 -0.091 0.000 1.278 358 S HN 0.383 nan 8.310 nan 0.000 0.528 359 D N 1.904 122.259 120.400 -0.074 0.000 2.172 359 D HA -0.125 4.515 4.640 0.001 0.000 0.196 359 D C 2.197 178.425 176.300 -0.120 0.000 0.999 359 D CA 2.018 55.970 54.000 -0.081 0.000 0.856 359 D CB -0.632 40.128 40.800 -0.066 0.000 0.934 359 D HN 0.607 nan 8.370 nan 0.000 0.453 360 S N -0.342 115.262 115.700 -0.160 0.000 2.481 360 S HA 0.135 4.605 4.470 0.001 0.000 0.231 360 S C 1.052 175.553 174.600 -0.165 0.000 0.996 360 S CA 0.299 58.368 58.200 -0.219 0.000 0.942 360 S CB -0.060 62.979 63.200 -0.269 0.000 0.768 360 S HN 0.245 nan 8.310 nan 0.000 0.520 361 A N 2.139 124.902 122.820 -0.095 0.000 2.371 361 A HA 0.537 4.858 4.320 0.001 0.000 0.257 361 A C 0.279 177.888 177.584 0.042 0.000 1.089 361 A CA -0.905 51.124 52.037 -0.014 0.000 0.794 361 A CB -0.374 18.642 19.000 0.026 0.000 1.029 361 A HN 0.684 nan 8.150 nan 0.000 0.488 362 F N 1.383 121.203 119.950 -0.216 0.000 2.586 362 F HA 0.326 4.854 4.527 0.001 0.000 0.335 362 F C 1.102 176.804 175.800 -0.164 0.000 1.210 362 F CA -0.193 57.695 58.000 -0.186 0.000 1.359 362 F CB 0.496 39.345 39.000 -0.253 0.000 1.142 362 F HN 0.358 nan 8.300 nan 0.000 0.606 363 V N -0.938 118.717 119.914 -0.432 0.000 3.621 363 V HA 0.694 4.814 4.120 0.001 0.000 0.285 363 V C 0.562 176.242 176.094 -0.690 0.000 1.346 363 V CA 0.293 62.296 62.300 -0.495 0.000 1.104 363 V CB -0.752 30.937 31.823 -0.224 0.000 0.913 363 V HN 1.569 nan 8.190 nan 0.000 0.432 364 G N -0.795 107.380 108.800 -1.041 0.000 2.347 364 G HA2 0.228 4.189 3.960 0.001 0.000 0.321 364 G HA3 0.228 4.189 3.960 0.001 0.000 0.321 364 G C -1.611 173.122 174.900 -0.279 0.000 1.412 364 G CA -0.838 43.812 45.100 -0.750 0.000 0.990 364 G HN 0.144 nan 8.290 nan 0.000 0.637 365 Y N -0.098 120.293 120.300 0.152 0.000 2.327 365 Y HA 0.529 5.080 4.550 0.001 0.000 0.336 365 Y C 0.969 176.908 175.900 0.065 0.000 1.035 365 Y CA -0.806 57.389 58.100 0.158 0.000 1.165 365 Y CB 1.532 40.099 38.460 0.178 0.000 1.181 365 Y HN 0.601 nan 8.280 nan 0.000 0.494 366 L N 4.850 126.179 121.223 0.178 0.000 2.667 366 L HA -0.081 4.259 4.340 0.001 0.000 0.278 366 L C 0.523 177.456 176.870 0.106 0.000 1.217 366 L CA 0.602 55.501 54.840 0.098 0.000 0.935 366 L CB -0.788 41.309 42.059 0.063 0.000 1.193 366 L HN 0.894 nan 8.230 nan 0.000 0.493 367 N N 2.310 121.056 118.700 0.076 0.000 2.713 367 N HA -0.252 4.488 4.740 0.001 0.000 0.251 367 N C -0.633 174.925 175.510 0.079 0.000 1.117 367 N CA 1.130 54.219 53.050 0.066 0.000 0.770 367 N CB -0.717 37.803 38.487 0.056 0.000 1.137 367 N HN 0.794 nan 8.380 nan 0.000 0.566 368 Q N -0.947 118.922 119.800 0.115 0.000 3.075 368 Q HA 0.157 4.498 4.340 0.001 0.000 0.318 368 Q C -2.002 174.089 176.000 0.153 0.000 0.907 368 Q CA -1.385 54.494 55.803 0.126 0.000 0.882 368 Q CB 1.302 30.123 28.738 0.138 0.000 1.386 368 Q HN 0.202 nan 8.270 nan 0.000 0.408 369 P HA -0.149 nan 4.420 nan 0.000 0.223 369 P C 0.987 178.346 177.300 0.100 0.000 1.151 369 P CA 0.909 64.061 63.100 0.088 0.000 0.787 369 P CB 0.661 32.390 31.700 0.049 0.000 0.788 370 Q N 0.625 120.480 119.800 0.091 0.000 2.020 370 Q HA -0.064 4.277 4.340 0.001 0.000 0.202 370 Q C 2.477 178.548 176.000 0.118 0.000 0.982 370 Q CA 2.256 58.110 55.803 0.085 0.000 0.838 370 Q CB -1.481 27.293 28.738 0.059 0.000 0.899 370 Q HN 0.155 nan 8.270 nan 0.000 0.423 371 A N -0.536 122.366 122.820 0.136 0.000 1.948 371 A HA -0.241 4.080 4.320 0.001 0.000 0.220 371 A C 2.262 180.068 177.584 0.371 0.000 1.177 371 A CA 2.158 54.300 52.037 0.175 0.000 0.636 371 A CB -1.093 17.951 19.000 0.074 0.000 0.815 371 A HN 0.460 nan 8.150 nan 0.000 0.449 372 T N 0.249 115.054 114.554 0.418 0.000 2.708 372 T HA -0.030 4.321 4.350 0.001 0.000 0.266 372 T C 2.210 177.054 174.700 0.240 0.000 1.037 372 T CA 1.644 63.965 62.100 0.369 0.000 1.146 372 T CB -0.474 68.481 68.868 0.144 0.000 0.865 372 T HN 0.624 nan 8.240 nan 0.000 0.435 373 A N 1.432 124.350 122.820 0.163 0.000 2.019 373 A HA -0.118 4.202 4.320 0.001 0.000 0.219 373 A C 2.134 179.799 177.584 0.135 0.000 1.164 373 A CA 1.496 53.605 52.037 0.120 0.000 0.644 373 A CB -0.513 18.537 19.000 0.083 0.000 0.805 373 A HN 0.582 nan 8.150 nan 0.000 0.449 374 E N -0.616 119.677 120.200 0.155 0.000 2.204 374 E HA -0.123 4.228 4.350 0.001 0.000 0.194 374 E C 1.545 178.238 176.600 0.155 0.000 0.989 374 E CA 0.962 57.442 56.400 0.133 0.000 0.824 374 E CB 0.070 29.839 29.700 0.115 0.000 0.756 374 E HN 0.375 nan 8.360 nan 0.000 0.477 375 K N -0.399 120.157 120.400 0.259 0.000 2.365 375 K HA 0.206 4.527 4.320 0.001 0.000 0.195 375 K C 0.415 177.226 176.600 0.352 0.000 1.079 375 K CA 0.134 56.598 56.287 0.296 0.000 0.979 375 K CB 0.851 33.691 32.500 0.567 0.000 0.929 375 K HN 0.075 nan 8.250 nan 0.000 0.523 376 L N 3.001 124.427 121.223 0.337 0.000 2.295 376 L HA 0.265 4.606 4.340 0.001 0.000 0.281 376 L C -0.904 176.067 176.870 0.169 0.000 1.018 376 L CA -0.183 54.817 54.840 0.266 0.000 0.841 376 L CB 1.077 43.205 42.059 0.116 0.000 1.218 376 L HN -0.025 nan 8.230 nan 0.000 0.424 377 Q N 3.615 123.530 119.800 0.192 0.000 2.290 377 Q HA 0.221 4.562 4.340 0.001 0.000 0.269 377 Q C -0.926 175.206 176.000 0.219 0.000 1.016 377 Q CA -0.862 55.040 55.803 0.164 0.000 0.754 377 Q CB 2.216 31.036 28.738 0.137 0.000 1.247 377 Q HN 0.489 nan 8.270 nan 0.000 0.451 378 D N 1.899 122.394 120.400 0.158 0.000 2.701 378 D HA -0.219 4.422 4.640 0.001 0.000 0.235 378 D C 0.719 177.126 176.300 0.178 0.000 1.155 378 D CA 1.665 55.767 54.000 0.169 0.000 0.649 378 D CB -0.983 39.939 40.800 0.203 0.000 1.050 378 D HN 1.171 nan 8.370 nan 0.000 0.425 379 G N -1.583 107.252 108.800 0.058 0.000 2.141 379 G HA2 -0.277 3.684 3.960 0.001 0.000 0.242 379 G HA3 -0.277 3.684 3.960 0.001 0.000 0.242 379 G C -0.179 174.511 174.900 -0.351 0.000 0.982 379 G CA 0.229 45.240 45.100 -0.149 0.000 0.662 379 G HN 0.313 nan 8.290 nan 0.000 0.527 380 W N -0.874 120.475 121.300 0.081 0.000 2.819 380 W HA 0.689 5.350 4.660 0.001 0.000 0.337 380 W C -0.202 176.420 176.519 0.172 0.000 1.077 380 W CA -1.566 55.843 57.345 0.107 0.000 1.226 380 W CB 1.037 30.537 29.460 0.068 0.000 1.419 380 W HN 0.176 nan 8.180 nan 0.000 0.502 381 Y N 3.233 123.724 120.300 0.318 0.000 2.328 381 Y HA 0.521 5.072 4.550 0.001 0.000 0.337 381 Y C 0.087 176.130 175.900 0.239 0.000 1.008 381 Y CA -1.362 56.896 58.100 0.263 0.000 1.129 381 Y CB 0.778 39.366 38.460 0.213 0.000 1.185 381 Y HN 0.338 nan 8.280 nan 0.000 0.476 382 R N 4.170 124.296 120.500 -0.622 0.000 2.202 382 R HA 0.142 4.483 4.340 0.001 0.000 0.334 382 R C 1.048 176.856 176.300 -0.819 0.000 1.036 382 R CA 0.429 56.227 56.100 -0.503 0.000 0.878 382 R CB 0.728 30.900 30.300 -0.214 0.000 1.067 382 R HN 0.917 nan 8.270 nan 0.000 0.457 383 T N -1.414 112.891 114.554 -0.416 0.000 3.023 383 T HA -0.077 4.274 4.350 0.001 0.000 0.266 383 T C 0.968 175.649 174.700 -0.033 0.000 1.093 383 T CA 0.557 62.562 62.100 -0.158 0.000 1.129 383 T CB -0.013 68.940 68.868 0.142 0.000 0.899 383 T HN 0.573 nan 8.240 nan 0.000 0.491 384 S N 0.918 116.584 115.700 -0.057 0.000 3.380 384 S HA -0.126 4.344 4.470 0.001 0.000 0.300 384 S C -0.432 174.187 174.600 0.032 0.000 1.255 384 S CA 0.873 59.073 58.200 0.000 0.000 0.963 384 S CB -1.647 61.569 63.200 0.028 0.000 1.106 384 S HN 0.760 nan 8.310 nan 0.000 0.629 385 D N 0.948 121.374 120.400 0.043 0.000 2.168 385 D HA 0.468 5.109 4.640 0.001 0.000 0.246 385 D C 0.218 176.510 176.300 -0.012 0.000 1.050 385 D CA -0.252 53.777 54.000 0.048 0.000 0.857 385 D CB 1.644 42.513 40.800 0.115 0.000 1.169 385 D HN 0.104 nan 8.370 nan 0.000 0.453 386 V N 1.353 121.256 119.914 -0.019 0.000 2.546 386 V HA 0.649 4.770 4.120 0.001 0.000 0.284 386 V C 0.474 176.519 176.094 -0.082 0.000 1.050 386 V CA -0.204 62.069 62.300 -0.045 0.000 0.981 386 V CB 1.107 32.913 31.823 -0.028 0.000 0.990 386 V HN 0.745 nan 8.190 nan 0.000 0.474 387 A N 4.040 126.789 122.820 -0.119 0.000 2.594 387 A HA 0.913 5.233 4.320 0.001 0.000 0.291 387 A C -1.318 176.159 177.584 -0.179 0.000 1.105 387 A CA -0.592 51.334 52.037 -0.184 0.000 0.694 387 A CB 2.204 21.032 19.000 -0.288 0.000 1.291 387 A HN 0.994 nan 8.150 nan 0.000 0.410 388 V N -0.462 119.326 119.914 -0.210 0.000 2.971 388 V HA 0.654 4.775 4.120 0.001 0.000 0.309 388 V C -1.891 174.086 176.094 -0.195 0.000 1.130 388 V CA -0.766 61.447 62.300 -0.144 0.000 0.964 388 V CB 1.934 33.730 31.823 -0.044 0.000 1.029 388 V HN 0.927 nan 8.190 nan 0.000 0.427 389 W N 3.858 125.140 121.300 -0.030 0.000 2.287 389 W HA 0.510 5.170 4.660 0.001 0.000 0.313 389 W C 0.972 177.479 176.519 -0.020 0.000 1.267 389 W CA 0.015 57.345 57.345 -0.026 0.000 1.201 389 W CB 1.364 30.810 29.460 -0.023 0.000 1.196 389 W HN 0.758 nan 8.180 nan 0.000 0.536 390 T N 0.845 115.544 114.554 0.241 0.000 2.882 390 T HA 0.225 4.575 4.350 0.001 0.000 0.287 390 T C -1.740 173.040 174.700 0.135 0.000 1.014 390 T CA -1.619 60.563 62.100 0.138 0.000 1.049 390 T CB 1.443 70.366 68.868 0.092 0.000 1.001 390 T HN 0.168 nan 8.240 nan 0.000 0.525 391 P HA -0.011 nan 4.420 nan 0.000 0.223 391 P C 0.697 178.025 177.300 0.045 0.000 1.144 391 P CA 0.764 63.895 63.100 0.051 0.000 0.783 391 P CB -0.037 31.683 31.700 0.033 0.000 0.771 392 E N -1.241 118.994 120.200 0.058 0.000 2.511 392 E HA 0.205 4.556 4.350 0.001 0.000 0.196 392 E C 1.434 178.078 176.600 0.073 0.000 1.066 392 E CA 0.640 57.071 56.400 0.052 0.000 0.871 392 E CB -0.897 28.830 29.700 0.045 0.000 0.863 392 E HN 0.144 nan 8.360 nan 0.000 0.520 393 G N 1.081 109.948 108.800 0.112 0.000 2.143 393 G HA2 -0.309 3.651 3.960 0.001 0.000 0.248 393 G HA3 -0.309 3.651 3.960 0.001 0.000 0.248 393 G C 0.492 175.603 174.900 0.351 0.000 0.991 393 G CA 0.656 45.842 45.100 0.144 0.000 0.689 393 G HN 0.427 nan 8.290 nan 0.000 0.522 394 T N -2.827 111.921 114.554 0.324 0.000 2.948 394 T HA 0.729 5.080 4.350 0.001 0.000 0.285 394 T C 0.071 174.831 174.700 0.099 0.000 1.019 394 T CA -0.473 61.775 62.100 0.246 0.000 1.013 394 T CB 2.658 71.576 68.868 0.084 0.000 1.117 394 T HN 0.727 nan 8.240 nan 0.000 0.533 395 V N 1.498 121.294 119.914 -0.197 0.000 2.407 395 V HA 0.480 4.601 4.120 0.001 0.000 0.278 395 V C 0.457 176.394 176.094 -0.261 0.000 1.037 395 V CA -0.802 61.211 62.300 -0.478 0.000 0.900 395 V CB 0.911 32.335 31.823 -0.665 0.000 0.983 395 V HN 0.879 nan 8.190 nan 0.000 0.459 396 R N 5.235 125.600 120.500 -0.225 0.000 2.229 396 R HA 0.443 4.783 4.340 0.001 0.000 0.332 396 R C -0.649 175.554 176.300 -0.161 0.000 0.989 396 R CA -0.669 55.347 56.100 -0.139 0.000 0.842 396 R CB 0.600 30.857 30.300 -0.073 0.000 1.119 396 R HN 0.552 nan 8.270 nan 0.000 0.456 397 I N 6.948 127.434 120.570 -0.140 0.000 2.471 397 I HA 0.046 4.216 4.170 0.001 0.000 0.286 397 I C 0.715 176.801 176.117 -0.052 0.000 1.079 397 I CA 0.267 61.495 61.300 -0.119 0.000 1.398 397 I CB 0.316 38.267 38.000 -0.081 0.000 1.403 397 I HN 0.731 nan 8.210 nan 0.000 0.530 398 L N 5.256 126.451 121.223 -0.048 0.000 2.731 398 L HA 0.633 4.973 4.340 0.001 0.000 0.199 398 L C 1.392 178.265 176.870 0.004 0.000 1.976 398 L CA -0.491 54.337 54.840 -0.020 0.000 2.802 398 L CB -0.292 41.749 42.059 -0.029 0.000 2.882 398 L HN 0.619 nan 8.230 nan 0.000 0.651 399 G N -0.635 108.167 108.800 0.005 0.000 2.582 399 G HA2 0.353 4.313 3.960 0.001 0.000 0.232 399 G HA3 0.353 4.313 3.960 0.001 0.000 0.232 399 G C -0.439 174.475 174.900 0.024 0.000 1.458 399 G CA -0.494 44.616 45.100 0.017 0.000 1.062 399 G HN 0.165 nan 8.290 nan 0.000 0.566 400 R N -1.425 119.091 120.500 0.027 0.000 2.720 400 R HA 0.402 4.743 4.340 0.001 0.000 0.272 400 R C 1.078 177.393 176.300 0.025 0.000 0.991 400 R CA -0.751 55.370 56.100 0.035 0.000 1.010 400 R CB 1.580 31.908 30.300 0.046 0.000 1.141 400 R HN 0.213 nan 8.270 nan 0.000 0.494 401 V N 0.730 120.660 119.914 0.026 0.000 2.951 401 V HA -0.129 3.992 4.120 0.001 0.000 0.255 401 V C 0.976 177.092 176.094 0.037 0.000 1.088 401 V CA 1.743 64.055 62.300 0.021 0.000 1.109 401 V CB -0.490 31.340 31.823 0.011 0.000 0.724 401 V HN 0.749 nan 8.190 nan 0.000 0.471 402 D N -2.248 118.187 120.400 0.058 0.000 2.535 402 D HA 0.056 4.697 4.640 0.001 0.000 0.229 402 D C 0.385 176.770 176.300 0.143 0.000 1.238 402 D CA 0.072 54.133 54.000 0.101 0.000 0.824 402 D CB -0.064 40.801 40.800 0.108 0.000 1.045 402 D HN 0.331 nan 8.370 nan 0.000 0.500 403 D N -0.566 119.867 120.400 0.054 0.000 3.028 403 D HA -0.221 4.419 4.640 0.001 0.000 0.207 403 D C 0.124 176.358 176.300 -0.110 0.000 1.100 403 D CA 0.567 54.544 54.000 -0.039 0.000 0.995 403 D CB -1.378 39.368 40.800 -0.089 0.000 1.108 403 D HN 0.324 nan 8.370 nan 0.000 0.421 404 M N 1.070 120.679 119.600 0.015 0.000 2.260 404 M HA 0.150 4.631 4.480 0.001 0.000 0.348 404 M C 0.091 176.390 176.300 -0.001 0.000 1.342 404 M CA 0.599 55.919 55.300 0.034 0.000 1.040 404 M CB 0.337 33.003 32.600 0.109 0.000 1.810 404 M HN 0.024 nan 8.290 nan 0.000 0.453 405 I N 6.195 126.757 120.570 -0.013 0.000 2.396 405 I HA 0.302 4.472 4.170 0.001 0.000 0.292 405 I C -0.537 175.609 176.117 0.049 0.000 0.999 405 I CA -0.315 60.989 61.300 0.007 0.000 1.310 405 I CB 0.799 38.788 38.000 -0.018 0.000 1.404 405 I HN 0.557 nan 8.210 nan 0.000 0.496 406 I N 5.028 125.637 120.570 0.066 0.000 2.390 406 I HA 0.232 4.403 4.170 0.001 0.000 0.283 406 I C -0.164 176.027 176.117 0.123 0.000 1.016 406 I CA -0.160 61.195 61.300 0.092 0.000 1.151 406 I CB 1.511 39.562 38.000 0.085 0.000 1.293 406 I HN 0.456 nan 8.210 nan 0.000 0.458 407 S N 4.370 120.162 115.700 0.152 0.000 2.498 407 S HA 0.588 5.058 4.470 0.001 0.000 0.317 407 S C 0.758 175.537 174.600 0.298 0.000 1.090 407 S CA 0.157 58.487 58.200 0.217 0.000 1.089 407 S CB 1.161 64.436 63.200 0.124 0.000 0.997 407 S HN 1.043 nan 8.310 nan 0.000 0.470 408 G N 3.159 112.205 108.800 0.411 0.000 2.283 408 G HA2 -0.094 3.867 3.960 0.001 0.000 0.280 408 G HA3 -0.094 3.867 3.960 0.001 0.000 0.280 408 G C 1.179 176.183 174.900 0.173 0.000 1.029 408 G CA 0.597 45.911 45.100 0.356 0.000 0.840 408 G HN 2.186 nan 8.290 nan 0.000 0.505 409 G N -1.800 107.083 108.800 0.138 0.000 2.155 409 G HA2 -0.236 3.725 3.960 0.001 0.000 0.257 409 G HA3 -0.236 3.725 3.960 0.001 0.000 0.257 409 G C 0.017 174.942 174.900 0.043 0.000 0.983 409 G CA 0.817 45.964 45.100 0.077 0.000 0.676 409 G HN 0.916 nan 8.290 nan 0.000 0.528 410 E N 0.557 120.820 120.200 0.105 0.000 2.171 410 E HA 0.328 4.678 4.350 0.001 0.000 0.271 410 E C -0.331 176.357 176.600 0.146 0.000 0.916 410 E CA -0.859 55.618 56.400 0.129 0.000 0.774 410 E CB 0.901 30.755 29.700 0.256 0.000 1.128 410 E HN 0.236 nan 8.360 nan 0.000 0.403 411 N N 2.463 121.231 118.700 0.113 0.000 2.470 411 N HA 0.286 5.027 4.740 0.001 0.000 0.268 411 N C -0.406 175.184 175.510 0.134 0.000 1.136 411 N CA 0.145 53.260 53.050 0.109 0.000 0.961 411 N CB 0.570 39.110 38.487 0.088 0.000 1.067 411 N HN 0.341 nan 8.380 nan 0.000 0.468 412 I N 1.268 121.900 120.570 0.103 0.000 2.499 412 I HA 0.147 4.317 4.170 0.001 0.000 0.288 412 I C -0.212 175.946 176.117 0.068 0.000 1.048 412 I CA -0.746 60.599 61.300 0.074 0.000 1.062 412 I CB 1.862 39.874 38.000 0.020 0.000 1.238 412 I HN 0.373 nan 8.210 nan 0.000 0.426 413 H N 7.503 126.577 119.070 0.006 0.000 2.548 413 H HA 0.248 4.804 4.556 0.001 0.000 0.331 413 H C -1.925 173.398 175.328 -0.009 0.000 1.093 413 H CA -1.561 54.489 56.048 0.003 0.000 1.367 413 H CB 2.299 32.064 29.762 0.005 0.000 1.455 413 H HN 0.316 nan 8.280 nan 0.000 0.519 414 P HA -0.210 nan 4.420 nan 0.000 0.216 414 P C 1.634 178.930 177.300 -0.007 0.000 1.150 414 P CA 1.965 64.969 63.100 -0.161 0.000 0.843 414 P CB 0.130 31.692 31.700 -0.229 0.000 0.787 415 S N -0.287 115.504 115.700 0.153 0.000 2.383 415 S HA -0.242 4.229 4.470 0.001 0.000 0.229 415 S C 1.853 176.519 174.600 0.109 0.000 1.030 415 S CA 1.310 59.620 58.200 0.183 0.000 1.002 415 S CB -1.247 62.119 63.200 0.277 0.000 0.829 415 S HN 0.238 nan 8.310 nan 0.000 0.467 416 E N 0.972 121.236 120.200 0.108 0.000 2.049 416 E HA -0.148 4.202 4.350 0.001 0.000 0.198 416 E C 1.983 178.595 176.600 0.020 0.000 1.007 416 E CA 1.741 58.168 56.400 0.044 0.000 0.809 416 E CB -0.422 29.291 29.700 0.022 0.000 0.749 416 E HN 0.568 nan 8.360 nan 0.000 0.450 417 I N 1.122 121.697 120.570 0.007 0.000 2.333 417 I HA -0.176 3.994 4.170 0.001 0.000 0.246 417 I C 2.141 178.278 176.117 0.034 0.000 1.106 417 I CA 1.154 62.456 61.300 0.004 0.000 1.411 417 I CB -0.216 37.765 38.000 -0.032 0.000 1.082 417 I HN 0.013 nan 8.210 nan 0.000 0.420 418 E N 0.473 120.692 120.200 0.031 0.000 2.058 418 E HA -0.232 4.119 4.350 0.001 0.000 0.194 418 E C 2.368 178.997 176.600 0.048 0.000 0.997 418 E CA 1.193 57.615 56.400 0.038 0.000 0.801 418 E CB -0.125 29.595 29.700 0.033 0.000 0.746 418 E HN 0.390 nan 8.360 nan 0.000 0.450 419 R N 0.204 120.735 120.500 0.050 0.000 2.096 419 R HA -0.107 4.234 4.340 0.001 0.000 0.235 419 R C 2.415 178.760 176.300 0.074 0.000 1.127 419 R CA 1.089 57.220 56.100 0.052 0.000 0.968 419 R CB -0.302 30.024 30.300 0.043 0.000 0.861 419 R HN 0.078 nan 8.270 nan 0.000 0.440 420 V N 1.489 121.457 119.914 0.089 0.000 2.270 420 V HA -0.205 3.915 4.120 0.001 0.000 0.245 420 V C 2.291 178.525 176.094 0.234 0.000 1.043 420 V CA 1.604 63.999 62.300 0.159 0.000 1.014 420 V CB -0.372 31.524 31.823 0.123 0.000 0.645 420 V HN 0.268 nan 8.190 nan 0.000 0.447 421 L N 0.552 121.868 121.223 0.155 0.000 2.191 421 L HA -0.064 4.277 4.340 0.001 0.000 0.212 421 L C 2.508 179.375 176.870 -0.006 0.000 1.103 421 L CA 1.362 56.257 54.840 0.092 0.000 0.769 421 L CB -0.960 41.162 42.059 0.105 0.000 0.908 421 L HN 0.494 nan 8.230 nan 0.000 0.438 422 G N -0.678 108.135 108.800 0.023 0.000 2.498 422 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 422 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 422 G C 1.529 176.412 174.900 -0.029 0.000 1.119 422 G CA 1.262 46.360 45.100 -0.003 0.000 0.766 422 G HN 0.474 nan 8.290 nan 0.000 0.552 423 T N -2.677 111.868 114.554 -0.016 0.000 3.069 423 T HA 0.592 4.943 4.350 0.001 0.000 0.252 423 T C 1.139 175.676 174.700 -0.272 0.000 1.053 423 T CA 0.428 62.515 62.100 -0.022 0.000 0.964 423 T CB 0.385 69.339 68.868 0.144 0.000 1.005 423 T HN 0.328 nan 8.240 nan 0.000 0.532 424 A N 3.898 126.340 122.820 -0.630 0.000 2.488 424 A HA 0.511 4.832 4.320 0.001 0.000 0.249 424 A C -2.164 175.089 177.584 -0.552 0.000 1.083 424 A CA -1.413 49.887 52.037 -1.230 0.000 0.768 424 A CB -0.218 18.124 19.000 -1.097 0.000 1.017 424 A HN 0.320 nan 8.150 nan 0.000 0.496 425 P HA 0.172 nan 4.420 nan 0.000 0.264 425 P C 1.000 178.192 177.300 -0.180 0.000 1.193 425 P CA 1.573 64.547 63.100 -0.210 0.000 0.763 425 P CB 0.720 32.342 31.700 -0.130 0.000 0.810 426 G N 1.480 110.206 108.800 -0.124 0.000 2.234 426 G HA2 -0.203 3.757 3.960 0.001 0.000 0.235 426 G HA3 -0.203 3.757 3.960 0.001 0.000 0.235 426 G C -0.067 174.779 174.900 -0.090 0.000 0.997 426 G CA -0.112 44.930 45.100 -0.096 0.000 0.623 426 G HN 0.549 nan 8.290 nan 0.000 0.514 427 V N 1.315 121.161 119.914 -0.114 0.000 2.498 427 V HA 0.622 4.742 4.120 0.001 0.000 0.279 427 V C 1.289 177.349 176.094 -0.058 0.000 1.048 427 V CA 0.999 63.248 62.300 -0.085 0.000 0.967 427 V CB 1.383 33.144 31.823 -0.104 0.000 0.988 427 V HN 0.385 nan 8.190 nan 0.000 0.473 428 T N 3.503 118.037 114.554 -0.034 0.000 3.071 428 T HA 0.247 4.597 4.350 0.001 0.000 0.239 428 T C 0.442 175.135 174.700 -0.011 0.000 0.997 428 T CA 0.486 62.572 62.100 -0.022 0.000 1.134 428 T CB 0.244 69.102 68.868 -0.017 0.000 0.928 428 T HN 0.746 nan 8.240 nan 0.000 0.453 429 E N 0.307 120.505 120.200 -0.004 0.000 2.317 429 E HA 0.621 4.971 4.350 0.001 0.000 0.270 429 E C -1.883 174.725 176.600 0.015 0.000 0.885 429 E CA -0.730 55.674 56.400 0.005 0.000 0.760 429 E CB 3.151 32.855 29.700 0.007 0.000 1.227 429 E HN 0.106 nan 8.360 nan 0.000 0.434 430 V N 2.540 122.466 119.914 0.019 0.000 2.733 430 V HA 0.504 4.624 4.120 0.001 0.000 0.306 430 V C -1.695 174.413 176.094 0.023 0.000 1.084 430 V CA -0.496 61.823 62.300 0.030 0.000 0.905 430 V CB 1.917 33.763 31.823 0.039 0.000 1.010 430 V HN 0.450 nan 8.190 nan 0.000 0.424 431 V N 6.727 126.654 119.914 0.023 0.000 2.540 431 V HA 0.574 4.695 4.120 0.001 0.000 0.302 431 V C -0.400 175.695 176.094 0.001 0.000 1.035 431 V CA -0.578 61.726 62.300 0.007 0.000 0.873 431 V CB 2.054 33.877 31.823 0.000 0.000 0.992 431 V HN 0.707 nan 8.190 nan 0.000 0.428 432 V N 6.554 126.457 119.914 -0.019 0.000 2.398 432 V HA 0.577 4.697 4.120 0.001 0.000 0.286 432 V C -0.062 176.000 176.094 -0.053 0.000 1.026 432 V CA -0.345 61.932 62.300 -0.038 0.000 0.868 432 V CB 1.448 33.241 31.823 -0.050 0.000 0.982 432 V HN 0.796 nan 8.190 nan 0.000 0.443 433 I N 1.597 122.141 120.570 -0.043 0.000 3.067 433 I HA 0.987 5.157 4.170 0.001 0.000 0.312 433 I C 0.269 176.365 176.117 -0.035 0.000 1.073 433 I CA -0.952 60.322 61.300 -0.043 0.000 1.016 433 I CB 2.475 40.455 38.000 -0.034 0.000 1.227 433 I HN 0.606 nan 8.210 nan 0.000 0.456 434 G N 4.109 112.893 108.800 -0.026 0.000 2.468 434 G HA2 0.584 4.545 3.960 0.001 0.000 0.315 434 G HA3 0.584 4.545 3.960 0.001 0.000 0.315 434 G C -0.745 174.163 174.900 0.014 0.000 1.203 434 G CA -0.573 44.523 45.100 -0.006 0.000 0.962 434 G HN 0.529 nan 8.290 nan 0.000 0.476 435 L N 2.109 123.350 121.223 0.030 0.000 2.350 435 L HA 0.478 4.819 4.340 0.001 0.000 0.275 435 L C 1.216 178.122 176.870 0.060 0.000 1.099 435 L CA -0.785 54.081 54.840 0.044 0.000 0.808 435 L CB 1.457 43.556 42.059 0.067 0.000 1.149 435 L HN 0.587 nan 8.230 nan 0.000 0.442 436 A N 2.878 125.729 122.820 0.053 0.000 2.565 436 A HA 0.109 4.430 4.320 0.001 0.000 0.237 436 A C -0.175 177.457 177.584 0.079 0.000 1.053 436 A CA 0.340 52.414 52.037 0.061 0.000 0.755 436 A CB -0.035 18.991 19.000 0.044 0.000 0.980 436 A HN 0.814 nan 8.150 nan 0.000 0.506 437 D N 1.548 122.004 120.400 0.094 0.000 2.966 437 D HA 0.136 4.776 4.640 0.001 0.000 0.222 437 D C 0.561 176.910 176.300 0.082 0.000 1.292 437 D CA -0.411 53.659 54.000 0.117 0.000 0.907 437 D CB 1.394 42.316 40.800 0.204 0.000 1.621 437 D HN 0.685 nan 8.370 nan 0.000 0.557 438 Q N 2.750 122.577 119.800 0.045 0.000 2.061 438 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 438 Q C 1.651 177.620 176.000 -0.051 0.000 0.984 438 Q CA 1.550 57.353 55.803 0.001 0.000 0.846 438 Q CB 0.287 29.021 28.738 -0.007 0.000 0.902 438 Q HN 0.317 nan 8.270 nan 0.000 0.421 439 R N -0.512 119.925 120.500 -0.104 0.000 2.057 439 R HA -0.103 4.238 4.340 0.001 0.000 0.229 439 R C 1.433 177.498 176.300 -0.391 0.000 1.136 439 R CA 2.005 57.909 56.100 -0.327 0.000 0.952 439 R CB -0.598 29.393 30.300 -0.516 0.000 0.848 439 R HN 0.384 nan 8.270 nan 0.000 0.430 440 W N -0.706 120.605 121.300 0.019 0.000 3.003 440 W HA 0.308 4.969 4.660 0.001 0.000 0.257 440 W C 1.449 177.983 176.519 0.025 0.000 1.308 440 W CA 0.493 57.851 57.345 0.022 0.000 1.529 440 W CB 0.323 29.801 29.460 0.030 0.000 1.115 440 W HN 0.478 nan 8.180 nan 0.000 0.659 441 G N 0.338 109.243 108.800 0.174 0.000 4.655 441 G HA2 -0.304 3.657 3.960 0.001 0.000 0.220 441 G HA3 -0.304 3.657 3.960 0.001 0.000 0.220 441 G C 0.333 175.311 174.900 0.131 0.000 1.403 441 G CA 0.347 45.521 45.100 0.124 0.000 0.931 441 G HN 0.270 nan 8.290 nan 0.000 0.654 442 Q N 0.349 120.241 119.800 0.153 0.000 2.353 442 Q HA 0.619 4.959 4.340 0.001 0.000 0.268 442 Q C -0.884 175.195 176.000 0.133 0.000 1.045 442 Q CA -0.166 55.708 55.803 0.118 0.000 0.811 442 Q CB 2.192 30.975 28.738 0.076 0.000 1.305 442 Q HN 0.382 nan 8.270 nan 0.000 0.447 443 S N 1.735 117.491 115.700 0.093 0.000 2.438 443 S HA 0.312 4.783 4.470 0.001 0.000 0.316 443 S C -0.284 174.300 174.600 -0.028 0.000 1.084 443 S CA -0.603 57.617 58.200 0.035 0.000 1.107 443 S CB 0.625 63.869 63.200 0.072 0.000 0.981 443 S HN 0.421 nan 8.310 nan 0.000 0.466 444 V N 6.177 126.036 119.914 -0.091 0.000 2.509 444 V HA 0.161 4.282 4.120 0.001 0.000 0.297 444 V C 0.515 176.529 176.094 -0.134 0.000 1.014 444 V CA 0.572 62.805 62.300 -0.110 0.000 1.127 444 V CB 0.324 32.060 31.823 -0.145 0.000 0.925 444 V HN 0.945 nan 8.190 nan 0.000 0.480 445 T N 4.829 119.325 114.554 -0.097 0.000 2.841 445 T HA 0.671 5.021 4.350 0.001 0.000 0.285 445 T C -0.141 174.512 174.700 -0.078 0.000 0.991 445 T CA -0.276 61.778 62.100 -0.075 0.000 0.966 445 T CB 1.639 70.547 68.868 0.067 0.000 0.962 445 T HN 0.875 nan 8.240 nan 0.000 0.438 446 A N 1.933 124.653 122.820 -0.167 0.000 2.271 446 A HA 0.620 4.941 4.320 0.001 0.000 0.317 446 A C -0.050 177.588 177.584 0.090 0.000 1.245 446 A CA -0.649 51.338 52.037 -0.083 0.000 0.857 446 A CB 0.199 19.089 19.000 -0.184 0.000 1.175 446 A HN 0.976 nan 8.150 nan 0.000 0.512 447 C N 3.359 122.725 119.300 0.111 0.000 2.239 447 C HA 0.625 5.085 4.460 0.001 0.000 0.325 447 C C 0.407 175.466 174.990 0.115 0.000 1.231 447 C CA -0.669 58.438 59.018 0.149 0.000 1.652 447 C CB -0.604 27.187 27.740 0.085 0.000 2.284 447 C HN 0.752 nan 8.230 nan 0.000 0.499 448 V N 2.188 122.184 119.914 0.137 0.000 2.680 448 V HA 0.883 5.004 4.120 0.001 0.000 0.309 448 V C -0.646 175.486 176.094 0.062 0.000 1.052 448 V CA -0.503 61.855 62.300 0.096 0.000 0.908 448 V CB 1.558 33.452 31.823 0.118 0.000 1.001 448 V HN 0.478 nan 8.190 nan 0.000 0.431 449 V N 5.097 125.031 119.914 0.032 0.000 2.448 449 V HA 0.521 4.642 4.120 0.001 0.000 0.295 449 V C -2.329 173.763 176.094 -0.002 0.000 1.025 449 V CA -1.807 60.504 62.300 0.017 0.000 0.859 449 V CB 1.763 33.594 31.823 0.014 0.000 0.988 449 V HN 0.861 nan 8.190 nan 0.000 0.431 450 P HA 0.315 nan 4.420 nan 0.000 0.274 450 P C -0.207 177.080 177.300 -0.021 0.000 1.237 450 P CA -0.586 62.500 63.100 -0.023 0.000 0.793 450 P CB 0.601 32.288 31.700 -0.022 0.000 0.977 451 R N 0.603 121.086 120.500 -0.029 0.000 2.756 451 R HA 0.060 4.401 4.340 0.001 0.000 0.264 451 R C 0.218 176.507 176.300 -0.018 0.000 1.026 451 R CA -0.569 55.517 56.100 -0.024 0.000 1.121 451 R CB -0.346 29.937 30.300 -0.029 0.000 0.999 451 R HN 0.405 nan 8.270 nan 0.000 0.449 452 L N 2.318 123.533 121.223 -0.014 0.000 2.667 452 L HA -0.036 4.304 4.340 0.001 0.000 0.278 452 L C 1.165 178.028 176.870 -0.011 0.000 1.217 452 L CA 2.063 56.897 54.840 -0.010 0.000 0.935 452 L CB -0.015 42.038 42.059 -0.009 0.000 1.193 452 L HN 0.905 nan 8.230 nan 0.000 0.493 453 G N 2.540 111.335 108.800 -0.010 0.000 2.189 453 G HA2 -0.267 3.693 3.960 0.001 0.000 0.267 453 G HA3 -0.267 3.693 3.960 0.001 0.000 0.267 453 G C 0.316 175.209 174.900 -0.013 0.000 0.975 453 G CA 0.551 45.645 45.100 -0.010 0.000 0.644 453 G HN 0.680 nan 8.290 nan 0.000 0.537 454 E N 0.187 120.377 120.200 -0.016 0.000 2.254 454 E HA 0.614 4.965 4.350 0.001 0.000 0.261 454 E C 0.430 177.016 176.600 -0.023 0.000 1.051 454 E CA -0.056 56.331 56.400 -0.022 0.000 0.902 454 E CB 1.109 30.792 29.700 -0.028 0.000 1.168 454 E HN 0.367 nan 8.360 nan 0.000 0.423 455 T N -1.138 113.398 114.554 -0.029 0.000 2.912 455 T HA 0.660 5.010 4.350 0.001 0.000 0.288 455 T C -0.328 174.343 174.700 -0.048 0.000 1.030 455 T CA -0.850 61.230 62.100 -0.032 0.000 1.020 455 T CB 0.703 69.553 68.868 -0.029 0.000 1.056 455 T HN 0.238 nan 8.240 nan 0.000 0.480 456 L N 1.806 122.996 121.223 -0.055 0.000 2.319 456 L HA 0.779 5.119 4.340 0.001 0.000 0.267 456 L C 0.148 176.958 176.870 -0.100 0.000 1.011 456 L CA -1.052 53.737 54.840 -0.085 0.000 0.818 456 L CB 2.346 44.352 42.059 -0.088 0.000 1.316 456 L HN 1.010 nan 8.230 nan 0.000 0.432 457 S N -0.077 115.538 115.700 -0.142 0.000 2.538 457 S HA 0.588 5.058 4.470 0.001 0.000 0.288 457 S C 0.432 174.865 174.600 -0.279 0.000 1.108 457 S CA -0.128 57.977 58.200 -0.158 0.000 0.971 457 S CB 1.911 65.044 63.200 -0.111 0.000 1.041 457 S HN 0.731 nan 8.310 nan 0.000 0.483 458 A N 2.292 124.933 122.820 -0.298 0.000 1.908 458 A HA -0.103 4.217 4.320 0.001 0.000 0.218 458 A C 1.680 179.043 177.584 -0.368 0.000 1.181 458 A CA 2.060 53.803 52.037 -0.490 0.000 0.627 458 A CB -1.072 17.836 19.000 -0.152 0.000 0.818 458 A HN 0.874 nan 8.150 nan 0.000 0.445 459 D N -0.018 120.274 120.400 -0.180 0.000 2.097 459 D HA -0.067 4.573 4.640 0.001 0.000 0.195 459 D C 2.265 178.503 176.300 -0.104 0.000 0.989 459 D CA 1.665 55.603 54.000 -0.104 0.000 0.827 459 D CB -0.488 40.275 40.800 -0.062 0.000 0.966 459 D HN 0.429 nan 8.370 nan 0.000 0.456 460 A N 0.493 123.238 122.820 -0.125 0.000 1.898 460 A HA -0.101 4.220 4.320 0.001 0.000 0.216 460 A C 2.405 179.939 177.584 -0.083 0.000 1.181 460 A CA 0.886 52.872 52.037 -0.085 0.000 0.620 460 A CB -0.742 18.204 19.000 -0.090 0.000 0.819 460 A HN 0.206 nan 8.150 nan 0.000 0.442 461 L N -0.730 120.357 121.223 -0.225 0.000 2.093 461 L HA -0.189 4.151 4.340 0.001 0.000 0.208 461 L C 2.380 179.240 176.870 -0.017 0.000 1.085 461 L CA 1.761 56.474 54.840 -0.212 0.000 0.755 461 L CB -0.612 41.107 42.059 -0.566 0.000 0.904 461 L HN 0.489 nan 8.230 nan 0.000 0.435 462 D N -0.418 119.942 120.400 -0.068 0.000 2.104 462 D HA -0.192 4.449 4.640 0.001 0.000 0.194 462 D C 1.982 178.327 176.300 0.075 0.000 0.994 462 D CA 1.809 55.865 54.000 0.094 0.000 0.830 462 D CB 0.169 41.016 40.800 0.079 0.000 0.959 462 D HN 0.111 nan 8.370 nan 0.000 0.452 463 T N -0.527 114.055 114.554 0.047 0.000 2.684 463 T HA -0.192 4.159 4.350 0.001 0.000 0.267 463 T C 1.609 176.353 174.700 0.074 0.000 1.036 463 T CA 1.244 63.372 62.100 0.047 0.000 1.148 463 T CB -0.683 68.207 68.868 0.036 0.000 0.863 463 T HN 0.222 nan 8.240 nan 0.000 0.436 464 F N 1.178 121.111 119.950 -0.028 0.000 2.095 464 F HA -0.186 4.341 4.527 0.001 0.000 0.298 464 F C 2.566 178.361 175.800 -0.007 0.000 1.104 464 F CA 0.836 58.824 58.000 -0.019 0.000 1.232 464 F CB -0.632 38.353 39.000 -0.024 0.000 0.987 464 F HN 0.181 nan 8.300 nan 0.000 0.475 465 C N 0.568 119.958 119.300 0.149 0.000 2.413 465 C HA -0.172 4.289 4.460 0.001 0.000 0.276 465 C C 2.787 177.744 174.990 -0.055 0.000 1.248 465 C CA 1.193 60.240 59.018 0.048 0.000 1.742 465 C CB -1.280 26.523 27.740 0.104 0.000 2.017 465 C HN 0.426 nan 8.230 nan 0.000 0.481 466 R N 1.235 121.715 120.500 -0.033 0.000 2.115 466 R HA -0.106 4.234 4.340 0.001 0.000 0.230 466 R C 2.236 178.483 176.300 -0.088 0.000 1.111 466 R CA 1.802 57.873 56.100 -0.048 0.000 0.976 466 R CB -0.377 29.912 30.300 -0.018 0.000 0.870 466 R HN 0.710 nan 8.270 nan 0.000 0.445 467 S N 0.062 115.680 115.700 -0.137 0.000 2.558 467 S HA -0.004 4.466 4.470 0.001 0.000 0.217 467 S C 1.045 175.497 174.600 -0.247 0.000 0.975 467 S CA -0.062 58.035 58.200 -0.173 0.000 0.912 467 S CB 0.035 63.132 63.200 -0.173 0.000 0.776 467 S HN 0.232 nan 8.310 nan 0.000 0.526 468 S N 1.989 117.506 115.700 -0.305 0.000 2.661 468 S HA 0.222 4.692 4.470 0.001 0.000 0.265 468 S C 1.186 175.686 174.600 -0.167 0.000 1.225 468 S CA -0.146 57.872 58.200 -0.303 0.000 0.986 468 S CB 0.546 63.553 63.200 -0.321 0.000 1.008 468 S HN 0.460 nan 8.310 nan 0.000 0.565 469 E N -0.102 120.019 120.200 -0.131 0.000 2.418 469 E HA -0.076 4.275 4.350 0.001 0.000 0.197 469 E C 0.577 177.127 176.600 -0.084 0.000 1.026 469 E CA -0.009 56.338 56.400 -0.089 0.000 0.862 469 E CB -0.530 29.130 29.700 -0.067 0.000 0.799 469 E HN 0.551 nan 8.360 nan 0.000 0.518 470 L N 2.359 123.526 121.223 -0.094 0.000 2.462 470 L HA 0.189 4.529 4.340 0.001 0.000 0.272 470 L C 0.064 176.855 176.870 -0.132 0.000 1.166 470 L CA 0.083 54.859 54.840 -0.107 0.000 0.880 470 L CB 0.575 42.576 42.059 -0.097 0.000 1.142 470 L HN 0.135 nan 8.230 nan 0.000 0.473 471 A N 4.054 126.771 122.820 -0.172 0.000 2.565 471 A HA 0.004 4.324 4.320 0.001 0.000 0.237 471 A C 1.043 178.484 177.584 -0.239 0.000 1.053 471 A CA 0.165 52.092 52.037 -0.182 0.000 0.755 471 A CB -0.122 18.730 19.000 -0.247 0.000 0.980 471 A HN 0.892 nan 8.150 nan 0.000 0.506 472 D N 1.660 122.011 120.400 -0.082 0.000 2.178 472 D HA -0.177 4.464 4.640 0.001 0.000 0.201 472 D C 1.460 177.722 176.300 -0.062 0.000 0.980 472 D CA 2.084 56.053 54.000 -0.051 0.000 0.842 472 D CB -0.300 40.511 40.800 0.019 0.000 0.948 472 D HN 0.803 nan 8.370 nan 0.000 0.472 473 F N 0.652 120.574 119.950 -0.046 0.000 2.451 473 F HA 0.085 4.613 4.527 0.001 0.000 0.299 473 F C 1.606 177.337 175.800 -0.115 0.000 1.101 473 F CA 0.579 58.531 58.000 -0.080 0.000 1.436 473 F CB -0.301 38.678 39.000 -0.035 0.000 1.074 473 F HN -0.209 nan 8.300 nan 0.000 0.553 474 K N 1.263 121.240 120.400 -0.706 0.000 2.426 474 K HA 0.042 4.362 4.320 0.001 0.000 0.193 474 K C 0.672 177.111 176.600 -0.268 0.000 1.028 474 K CA -0.086 55.889 56.287 -0.520 0.000 1.047 474 K CB -0.045 32.095 32.500 -0.599 0.000 0.821 474 K HN 0.400 nan 8.250 nan 0.000 0.513 475 R N 1.944 122.320 120.500 -0.208 0.000 2.641 475 R HA 0.154 4.495 4.340 0.001 0.000 0.269 475 R C -2.695 173.509 176.300 -0.161 0.000 1.074 475 R CA -1.702 54.321 56.100 -0.128 0.000 1.133 475 R CB -0.528 29.739 30.300 -0.054 0.000 1.029 475 R HN -0.273 nan 8.270 nan 0.000 0.488 476 P HA -0.037 nan 4.420 nan 0.000 0.264 476 P C -0.202 176.927 177.300 -0.286 0.000 1.183 476 P CA -0.001 62.889 63.100 -0.350 0.000 0.763 476 P CB 0.530 31.772 31.700 -0.763 0.000 0.807 477 K N 1.976 122.226 120.400 -0.251 0.000 2.305 477 K HA 0.030 4.350 4.320 0.001 0.000 0.199 477 K C 0.854 177.363 176.600 -0.150 0.000 1.047 477 K CA 0.828 57.011 56.287 -0.173 0.000 0.976 477 K CB 0.345 32.749 32.500 -0.159 0.000 0.765 477 K HN 0.431 nan 8.250 nan 0.000 0.474 478 R N -0.390 119.955 120.500 -0.259 0.000 2.626 478 R HA 0.265 4.606 4.340 0.001 0.000 0.274 478 R C -1.786 174.250 176.300 -0.440 0.000 1.031 478 R CA -0.526 55.420 56.100 -0.257 0.000 0.898 478 R CB 1.263 31.448 30.300 -0.193 0.000 1.222 478 R HN -0.173 nan 8.270 nan 0.000 0.455 479 Y N 2.717 122.856 120.300 -0.267 0.000 2.393 479 Y HA 0.478 5.029 4.550 0.001 0.000 0.341 479 Y C -0.766 174.891 175.900 -0.405 0.000 0.988 479 Y CA -0.560 57.420 58.100 -0.200 0.000 1.078 479 Y CB 1.672 40.060 38.460 -0.120 0.000 1.203 479 Y HN 0.385 nan 8.280 nan 0.000 0.453 480 F N 3.999 124.021 119.950 0.121 0.000 2.403 480 F HA 0.483 5.011 4.527 0.001 0.000 0.355 480 F C -0.375 175.470 175.800 0.076 0.000 1.119 480 F CA -0.781 57.265 58.000 0.076 0.000 1.007 480 F CB 0.769 39.790 39.000 0.034 0.000 1.194 480 F HN 0.244 nan 8.300 nan 0.000 0.443 481 I N 5.385 126.065 120.570 0.183 0.000 2.312 481 I HA 0.307 4.477 4.170 0.001 0.000 0.291 481 I C -0.495 175.688 176.117 0.109 0.000 1.031 481 I CA -0.115 61.253 61.300 0.114 0.000 1.293 481 I CB 0.525 38.554 38.000 0.048 0.000 1.403 481 I HN 0.390 nan 8.210 nan 0.000 0.484 482 L N 5.317 126.593 121.223 0.088 0.000 2.354 482 L HA 0.432 4.773 4.340 0.001 0.000 0.269 482 L C 0.540 177.433 176.870 0.038 0.000 1.005 482 L CA -0.844 54.035 54.840 0.065 0.000 0.819 482 L CB 1.827 43.922 42.059 0.060 0.000 1.311 482 L HN 0.454 nan 8.230 nan 0.000 0.423 483 D N 0.256 120.673 120.400 0.028 0.000 2.178 483 D HA -0.102 4.539 4.640 0.001 0.000 0.201 483 D C 0.417 176.725 176.300 0.012 0.000 0.980 483 D CA 1.460 55.470 54.000 0.016 0.000 0.842 483 D CB 0.415 41.223 40.800 0.013 0.000 0.948 483 D HN 0.466 nan 8.370 nan 0.000 0.472 484 Q N -0.757 119.051 119.800 0.014 0.000 2.479 484 Q HA 0.257 4.598 4.340 0.001 0.000 0.276 484 Q C -1.754 174.251 176.000 0.009 0.000 0.989 484 Q CA -0.761 55.047 55.803 0.009 0.000 0.864 484 Q CB 1.378 30.119 28.738 0.005 0.000 1.444 484 Q HN -0.145 nan 8.270 nan 0.000 0.388 485 L N 3.582 124.809 121.223 0.007 0.000 2.417 485 L HA 0.450 4.790 4.340 0.001 0.000 0.268 485 L C -2.044 174.824 176.870 -0.003 0.000 1.158 485 L CA -1.663 53.178 54.840 0.002 0.000 0.819 485 L CB 0.035 42.096 42.059 0.003 0.000 1.112 485 L HN 0.535 nan 8.230 nan 0.000 0.458 486 P HA 0.219 nan 4.420 nan 0.000 0.276 486 P C -1.078 176.217 177.300 -0.008 0.000 1.253 486 P CA -0.217 62.877 63.100 -0.010 0.000 0.766 486 P CB 0.669 32.359 31.700 -0.016 0.000 0.845 487 K N 2.298 122.695 120.400 -0.006 0.000 2.508 487 K HA 0.313 4.633 4.320 0.001 0.000 0.260 487 K C 0.092 176.690 176.600 -0.003 0.000 0.949 487 K CA -0.878 55.407 56.287 -0.004 0.000 0.834 487 K CB 1.639 34.138 32.500 -0.002 0.000 1.365 487 K HN 0.403 nan 8.250 nan 0.000 0.437 488 N N 0.037 118.736 118.700 -0.003 0.000 2.405 488 N HA 0.193 4.934 4.740 0.001 0.000 0.269 488 N C 0.695 176.204 175.510 -0.001 0.000 1.249 488 N CA -0.264 52.784 53.050 -0.002 0.000 0.974 488 N CB 0.183 38.669 38.487 -0.002 0.000 1.204 488 N HN 0.555 nan 8.380 nan 0.000 0.565 489 A N -0.783 122.037 122.820 -0.001 0.000 2.131 489 A HA -0.073 4.247 4.320 0.001 0.000 0.220 489 A C 1.727 179.311 177.584 0.000 0.000 1.158 489 A CA 0.832 52.868 52.037 -0.000 0.000 0.665 489 A CB -0.846 18.153 19.000 -0.000 0.000 0.795 489 A HN 0.542 nan 8.150 nan 0.000 0.460 490 L N -0.816 120.408 121.223 0.000 0.000 2.599 490 L HA 0.093 4.433 4.340 0.001 0.000 0.230 490 L C 0.756 177.627 176.870 0.002 0.000 1.141 490 L CA 0.773 55.614 54.840 0.001 0.000 0.877 490 L CB -0.721 41.339 42.059 0.002 0.000 1.009 490 L HN 0.566 nan 8.230 nan 0.000 0.447 491 N N -0.153 118.548 118.700 0.001 0.000 2.776 491 N HA -0.198 4.543 4.740 0.001 0.000 0.249 491 N C -0.766 174.745 175.510 0.002 0.000 1.111 491 N CA 0.648 53.698 53.050 0.001 0.000 0.711 491 N CB -0.614 37.874 38.487 0.002 0.000 1.065 491 N HN 0.094 nan 8.380 nan 0.000 0.556 492 K N -0.071 120.330 120.400 0.001 0.000 2.221 492 K HA 0.428 4.748 4.320 0.001 0.000 0.258 492 K C -0.175 176.425 176.600 -0.001 0.000 0.944 492 K CA -0.807 55.480 56.287 0.001 0.000 0.823 492 K CB 1.850 34.352 32.500 0.002 0.000 1.113 492 K HN -0.036 nan 8.250 nan 0.000 0.431 493 V N 4.239 124.152 119.914 -0.001 0.000 2.529 493 V HA 0.012 4.133 4.120 0.001 0.000 0.292 493 V C 0.790 176.880 176.094 -0.008 0.000 1.028 493 V CA -0.223 62.074 62.300 -0.005 0.000 1.074 493 V CB 0.028 31.848 31.823 -0.005 0.000 0.958 493 V HN 0.501 nan 8.190 nan 0.000 0.481 494 L N 6.745 127.961 121.223 -0.010 0.000 2.415 494 L HA 0.248 4.589 4.340 0.001 0.000 0.269 494 L C 1.796 178.655 176.870 -0.018 0.000 1.244 494 L CA 0.120 54.952 54.840 -0.013 0.000 1.113 494 L CB -0.520 41.532 42.059 -0.013 0.000 1.352 494 L HN 0.661 nan 8.230 nan 0.000 0.433 495 R N 1.623 122.113 120.500 -0.017 0.000 2.091 495 R HA -0.176 4.164 4.340 0.001 0.000 0.238 495 R C 2.274 178.557 176.300 -0.029 0.000 1.136 495 R CA 1.587 57.673 56.100 -0.023 0.000 0.959 495 R CB 0.030 30.319 30.300 -0.019 0.000 0.856 495 R HN 0.537 nan 8.270 nan 0.000 0.437 496 R N 0.186 120.672 120.500 -0.024 0.000 2.081 496 R HA -0.184 4.157 4.340 0.001 0.000 0.235 496 R C 2.170 178.450 176.300 -0.033 0.000 1.131 496 R CA 1.917 58.002 56.100 -0.026 0.000 0.960 496 R CB -0.004 30.285 30.300 -0.019 0.000 0.856 496 R HN 0.215 nan 8.270 nan 0.000 0.436 497 Q N 0.286 120.068 119.800 -0.031 0.000 2.084 497 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 497 Q C 1.903 177.873 176.000 -0.050 0.000 0.978 497 Q CA 1.271 57.053 55.803 -0.035 0.000 0.844 497 Q CB -0.277 28.446 28.738 -0.026 0.000 0.898 497 Q HN 0.238 nan 8.270 nan 0.000 0.426 498 L N -0.356 120.836 121.223 -0.052 0.000 1.994 498 L HA -0.140 4.201 4.340 0.001 0.000 0.208 498 L C 1.923 178.729 176.870 -0.107 0.000 1.071 498 L CA 1.539 56.336 54.840 -0.072 0.000 0.745 498 L CB -0.702 41.323 42.059 -0.056 0.000 0.892 498 L HN 0.077 nan 8.230 nan 0.000 0.431 499 V N -0.296 119.566 119.914 -0.088 0.000 2.332 499 V HA -0.344 3.777 4.120 0.001 0.000 0.248 499 V C 2.633 178.662 176.094 -0.108 0.000 1.055 499 V CA 1.983 64.225 62.300 -0.098 0.000 1.038 499 V CB -0.870 30.916 31.823 -0.062 0.000 0.651 499 V HN 0.607 nan 8.190 nan 0.000 0.450 500 Q N 0.222 119.973 119.800 -0.082 0.000 2.084 500 Q HA -0.254 4.087 4.340 0.001 0.000 0.202 500 Q C 2.309 178.251 176.000 -0.096 0.000 0.978 500 Q CA 2.190 57.949 55.803 -0.073 0.000 0.844 500 Q CB -0.453 28.256 28.738 -0.049 0.000 0.898 500 Q HN 0.709 nan 8.270 nan 0.000 0.426 501 Q N -0.695 119.039 119.800 -0.110 0.000 2.124 501 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 501 Q C 1.746 177.617 176.000 -0.215 0.000 0.977 501 Q CA 1.943 57.672 55.803 -0.124 0.000 0.850 501 Q CB 0.106 28.782 28.738 -0.104 0.000 0.901 501 Q HN 0.479 nan 8.270 nan 0.000 0.429 502 V N -3.235 116.473 119.914 -0.344 0.000 3.471 502 V HA 0.205 4.326 4.120 0.001 0.000 0.258 502 V C 0.959 176.761 176.094 -0.487 0.000 1.192 502 V CA 0.055 61.926 62.300 -0.713 0.000 1.116 502 V CB 0.658 31.772 31.823 -1.181 0.000 0.792 502 V HN 0.014 nan 8.190 nan 0.000 0.459 503 S N 0.000 115.556 115.700 -0.239 0.000 2.498 503 S HA 0.000 4.471 4.470 0.001 0.000 0.327 503 S CA 0.000 58.136 58.200 -0.107 0.000 1.107 503 S CB 0.000 63.158 63.200 -0.069 0.000 0.593 503 S HN 0.000 nan 8.310 nan 0.000 0.517