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 1hoo_1_A DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 175.039 174.900 0.232 0.000 0.946 1 G CA 0.000 45.182 45.100 0.138 0.000 0.502 2 N N -2.293 116.600 118.700 0.323 0.000 2.244 2 N HA -0.227 nan 4.740 nan 0.000 0.183 2 N C -0.495 175.300 175.510 0.475 0.000 1.016 2 N CA 2.175 55.516 53.050 0.485 0.000 0.866 2 N CB 0.448 39.169 38.487 0.390 0.000 0.980 2 N HN 0.006 8.576 8.380 0.263 -0.033 0.430 3 N N 0.051 118.962 118.700 0.352 0.000 2.527 3 N HA 0.393 nan 4.740 nan 0.000 0.236 3 N C -2.189 173.506 175.510 0.307 0.000 0.999 3 N CA -0.232 53.056 53.050 0.396 0.000 0.935 3 N CB 0.716 39.437 38.487 0.389 0.000 1.132 3 N HN -0.306 8.552 8.380 0.286 -0.306 0.511 4 V N 4.863 124.952 119.914 0.291 0.000 2.435 4 V HA 0.701 nan 4.120 nan 0.000 0.290 4 V C -1.406 174.841 176.094 0.256 0.000 1.030 4 V CA -1.146 61.225 62.300 0.120 0.000 0.881 4 V CB 1.906 33.536 31.823 -0.322 0.000 0.983 4 V HN 1.077 9.384 8.190 0.378 0.110 0.445 5 V N 6.973 126.998 119.914 0.185 0.000 2.435 5 V HA 0.751 nan 4.120 nan 0.000 0.290 5 V C -1.493 174.684 176.094 0.138 0.000 1.030 5 V CA -1.208 61.201 62.300 0.181 0.000 0.881 5 V CB 1.482 33.325 31.823 0.033 0.000 0.983 5 V HN 0.804 9.083 8.190 0.147 0.000 0.445 6 V N 6.148 126.164 119.914 0.170 0.000 2.577 6 V HA 0.946 nan 4.120 nan 0.000 0.303 6 V C -1.865 174.315 176.094 0.142 0.000 1.042 6 V CA -0.968 61.409 62.300 0.128 0.000 0.872 6 V CB 1.308 33.193 31.823 0.103 0.000 0.998 6 V HN 0.583 8.917 8.190 0.241 0.000 0.423 7 L N 0.362 121.651 121.223 0.109 0.000 2.775 7 L HA 0.906 nan 4.340 nan 0.000 0.263 7 L C -1.523 175.390 176.870 0.072 0.000 1.017 7 L CA -1.161 53.739 54.840 0.100 0.000 0.891 7 L CB 3.288 45.417 42.059 0.116 0.000 1.482 7 L HN 0.705 8.990 8.230 0.091 0.000 0.410 8 G N -1.969 106.863 108.800 0.053 0.000 2.432 8 G HA2 0.188 nan 3.960 nan 0.000 0.257 8 G HA3 0.188 nan 3.960 nan 0.000 0.257 8 G C -0.244 174.660 174.900 0.007 0.000 1.238 8 G CA -0.229 44.888 45.100 0.028 0.000 0.838 8 G HN 0.427 8.750 8.290 0.055 0.000 0.547 9 T N -1.189 113.361 114.554 -0.006 0.000 3.060 9 T HA 0.150 nan 4.350 nan 0.000 0.249 9 T C 0.094 174.694 174.700 -0.167 0.000 1.079 9 T CA 0.555 62.636 62.100 -0.031 0.000 1.013 9 T CB 0.026 68.938 68.868 0.074 0.000 0.975 9 T HN 0.368 8.609 8.240 0.002 0.000 0.518 10 Q N 0.231 119.899 119.800 -0.219 0.000 3.082 10 Q HA 0.220 nan 4.340 nan 0.000 0.213 10 Q C -0.189 175.502 176.000 -0.516 0.000 1.170 10 Q CA -0.264 55.247 55.803 -0.487 0.000 0.316 10 Q CB 1.956 30.511 28.738 -0.305 0.000 5.820 10 Q HN -0.478 7.895 8.270 -0.131 -0.181 0.315 11 W N -1.998 119.254 121.300 -0.079 0.000 2.764 11 W HA 0.228 nan 4.660 nan 0.000 0.427 11 W C -0.275 176.194 176.519 -0.084 0.000 0.896 11 W CA -0.645 56.639 57.345 -0.101 0.000 2.307 11 W CB 0.057 29.403 29.460 -0.189 0.000 1.192 11 W HN 0.402 8.633 8.180 0.086 0.000 0.731 12 G N -0.582 108.270 108.800 0.087 0.000 2.710 12 G HA2 -0.312 nan 3.960 nan 0.000 0.668 12 G HA3 -0.312 nan 3.960 nan 0.000 0.668 12 G C -2.305 172.615 174.900 0.033 0.000 1.320 12 G CA -0.601 44.531 45.100 0.053 0.000 0.860 12 G HN -0.359 8.105 8.290 0.027 -0.158 0.538 13 D N -3.396 117.014 120.400 0.017 0.000 2.772 13 D HA -0.386 nan 4.640 nan 0.000 0.233 13 D C 0.240 176.524 176.300 -0.027 0.000 1.143 13 D CA 1.568 55.567 54.000 -0.002 0.000 0.700 13 D CB -0.495 40.305 40.800 -0.000 0.000 1.076 13 D HN 0.349 8.732 8.370 0.022 0.000 0.430 14 E N -1.781 118.405 120.200 -0.023 0.000 2.489 14 E HA -0.106 nan 4.350 nan 0.000 0.193 14 E C -0.246 176.333 176.600 -0.036 0.000 1.057 14 E CA -0.036 56.337 56.400 -0.044 0.000 0.866 14 E CB -0.240 29.443 29.700 -0.029 0.000 0.916 14 E HN 0.120 8.471 8.360 -0.007 0.004 0.500 15 G N -1.626 107.161 108.800 -0.023 0.000 2.303 15 G HA2 -0.241 nan 3.960 nan 0.000 0.260 15 G HA3 -0.241 nan 3.960 nan 0.000 0.260 15 G C 0.318 175.215 174.900 -0.006 0.000 1.106 15 G CA 0.187 45.277 45.100 -0.017 0.000 0.900 15 G HN -0.098 8.125 8.290 -0.020 0.055 0.495 16 K N -1.558 118.843 120.400 0.001 0.000 2.323 16 K HA -0.032 nan 4.320 nan 0.000 0.197 16 K C 1.324 177.946 176.600 0.036 0.000 1.043 16 K CA 0.413 56.716 56.287 0.027 0.000 0.997 16 K CB -0.442 32.087 32.500 0.047 0.000 0.807 16 K HN -0.160 8.088 8.250 -0.004 0.000 0.497 17 G N 1.511 110.296 108.800 -0.024 0.000 2.476 17 G HA2 -0.334 nan 3.960 nan 0.000 0.218 17 G HA3 -0.334 nan 3.960 nan 0.000 0.218 17 G C 0.893 175.789 174.900 -0.007 0.000 1.164 17 G CA 1.907 46.937 45.100 -0.117 0.000 0.768 17 G HN 0.297 8.556 8.290 -0.052 0.000 0.560 18 K N 1.506 121.889 120.400 -0.029 0.000 2.032 18 K HA -0.214 nan 4.320 nan 0.000 0.209 18 K C 2.221 178.850 176.600 0.049 0.000 1.048 18 K CA 2.900 59.195 56.287 0.014 0.000 0.927 18 K CB -0.181 32.317 32.500 -0.002 0.000 0.712 18 K HN -0.100 8.115 8.250 -0.057 0.000 0.441 19 I N -1.165 119.431 120.570 0.044 0.000 2.163 19 I HA -0.397 nan 4.170 nan 0.000 0.243 19 I C 1.950 178.105 176.117 0.064 0.000 1.085 19 I CA 2.883 64.209 61.300 0.044 0.000 1.347 19 I CB -0.679 37.343 38.000 0.037 0.000 1.044 19 I HN -0.362 7.868 8.210 0.033 0.000 0.408 20 V N 0.915 120.889 119.914 0.100 0.000 2.287 20 V HA -0.569 nan 4.120 nan 0.000 0.248 20 V C 2.184 178.348 176.094 0.116 0.000 1.053 20 V CA 4.866 67.236 62.300 0.118 0.000 1.027 20 V CB -1.089 30.834 31.823 0.166 0.000 0.646 20 V HN 0.366 8.619 8.190 0.104 0.000 0.447 21 D N -0.966 119.528 120.400 0.157 0.000 2.144 21 D HA -0.239 nan 4.640 nan 0.000 0.199 21 D C 2.724 179.070 176.300 0.077 0.000 0.984 21 D CA 3.087 57.160 54.000 0.121 0.000 0.834 21 D CB -0.348 40.541 40.800 0.148 0.000 0.955 21 D HN -0.311 8.186 8.370 0.211 0.000 0.465 22 L N 0.657 121.921 121.223 0.068 0.000 1.976 22 L HA -0.259 nan 4.340 nan 0.000 0.209 22 L C 1.845 178.755 176.870 0.066 0.000 1.071 22 L CA 3.185 58.056 54.840 0.052 0.000 0.746 22 L CB 0.078 42.158 42.059 0.035 0.000 0.890 22 L HN -0.170 8.020 8.230 0.073 0.083 0.432 23 L N -3.531 117.734 121.223 0.069 0.000 2.261 23 L HA -0.410 nan 4.340 nan 0.000 0.216 23 L C 2.429 179.415 176.870 0.194 0.000 1.114 23 L CA 2.817 57.725 54.840 0.113 0.000 0.777 23 L CB -1.053 41.025 42.059 0.031 0.000 0.910 23 L HN 0.514 8.669 8.230 0.056 0.108 0.440 24 T N 0.193 114.819 114.554 0.119 0.000 3.113 24 T HA -0.153 nan 4.350 nan 0.000 0.263 24 T C 0.966 175.700 174.700 0.057 0.000 1.143 24 T CA 2.697 64.850 62.100 0.087 0.000 1.090 24 T CB -0.863 68.033 68.868 0.047 0.000 0.922 24 T HN -0.293 7.859 8.240 0.092 0.143 0.521 25 E N 0.082 120.321 120.200 0.064 0.000 2.358 25 E HA -0.120 nan 4.350 nan 0.000 0.195 25 E C 1.001 177.618 176.600 0.029 0.000 1.010 25 E CA 1.738 58.160 56.400 0.037 0.000 0.856 25 E CB 0.384 30.108 29.700 0.039 0.000 0.795 25 E HN -0.261 7.987 8.360 0.082 0.162 0.504 26 R N -3.960 116.567 120.500 0.045 0.000 2.394 26 R HA 0.140 nan 4.340 nan 0.000 0.220 26 R C -0.593 175.660 176.300 -0.080 0.000 0.887 26 R CA -0.478 55.624 56.100 0.003 0.000 1.034 26 R CB 1.409 31.688 30.300 -0.035 0.000 1.179 26 R HN -0.755 7.532 8.270 0.098 0.042 0.561 27 A N -1.251 121.524 122.820 -0.075 0.000 2.462 27 A HA 0.023 nan 4.320 nan 0.000 0.243 27 A C -0.344 177.182 177.584 -0.096 0.000 1.076 27 A CA 0.407 52.410 52.037 -0.058 0.000 0.773 27 A CB 0.877 19.949 19.000 0.121 0.000 1.010 27 A HN -0.664 7.510 8.150 0.040 0.000 0.493 28 K N 4.680 124.990 120.400 -0.150 0.000 2.276 28 K HA 0.061 nan 4.320 nan 0.000 0.198 28 K C -1.141 175.107 176.600 -0.586 0.000 1.052 28 K CA 0.238 56.292 56.287 -0.388 0.000 0.984 28 K CB 1.893 34.114 32.500 -0.465 0.000 0.836 28 K HN 0.761 8.853 8.250 -0.057 0.124 0.490 29 Y N -4.065 116.212 120.300 -0.038 0.000 2.391 29 Y HA 0.477 nan 4.550 nan 0.000 0.341 29 Y C -1.716 174.133 175.900 -0.086 0.000 0.965 29 Y CA -1.159 56.901 58.100 -0.066 0.000 1.067 29 Y CB 3.138 41.543 38.460 -0.092 0.000 1.199 29 Y HN -0.259 8.016 8.280 -0.008 0.000 0.450 30 V N 3.529 123.487 119.914 0.072 0.000 2.444 30 V HA 0.665 nan 4.120 nan 0.000 0.294 30 V C -1.868 174.219 176.094 -0.011 0.000 1.022 30 V CA -0.818 61.488 62.300 0.010 0.000 0.850 30 V CB 1.434 33.266 31.823 0.016 0.000 0.992 30 V HN 0.169 8.419 8.190 0.101 0.000 0.426 31 V N 7.601 127.473 119.914 -0.071 0.000 2.604 31 V HA 0.709 nan 4.120 nan 0.000 0.305 31 V C -1.269 174.931 176.094 0.176 0.000 1.043 31 V CA -1.714 60.593 62.300 0.012 0.000 0.888 31 V CB 3.099 34.866 31.823 -0.094 0.000 0.995 31 V HN 1.170 9.282 8.190 -0.129 0.000 0.429 32 R N 4.675 125.264 120.500 0.150 0.000 2.346 32 R HA 0.652 nan 4.340 nan 0.000 0.311 32 R C -0.545 175.859 176.300 0.172 0.000 0.983 32 R CA -1.858 54.299 56.100 0.095 0.000 0.880 32 R CB 1.604 31.921 30.300 0.028 0.000 1.100 32 R HN 0.393 8.729 8.270 0.110 0.000 0.453 33 Y N -0.612 119.788 120.300 0.165 0.000 2.610 33 Y HA 0.233 nan 4.550 nan 0.000 0.254 33 Y C -2.318 173.664 175.900 0.137 0.000 1.110 33 Y CA -2.051 56.146 58.100 0.162 0.000 1.238 33 Y CB 1.587 40.165 38.460 0.196 0.000 1.322 33 Y HN 0.290 8.278 8.280 -0.487 0.000 0.547 34 Q N -3.537 116.042 119.800 -0.369 0.000 2.462 34 Q HA 0.238 nan 4.340 nan 0.000 0.285 34 Q C -0.451 175.535 176.000 -0.023 0.000 1.035 34 Q CA -0.986 54.741 55.803 -0.127 0.000 0.799 34 Q CB 2.695 31.320 28.738 -0.188 0.000 1.452 34 Q HN -0.723 7.246 8.270 -0.502 0.000 0.404 35 G N 2.289 111.186 108.800 0.161 0.000 2.539 35 G HA2 -0.491 nan 3.960 nan 0.000 0.256 35 G HA3 -0.491 nan 3.960 nan 0.000 0.256 35 G C -1.858 173.130 174.900 0.147 0.000 1.233 35 G CA 0.245 45.464 45.100 0.197 0.000 0.936 35 G HN -0.026 8.423 8.290 0.265 0.000 0.571 36 G N -1.731 107.136 108.800 0.112 0.000 3.495 36 G HA2 0.247 nan 3.960 nan 0.000 0.178 36 G HA3 0.247 nan 3.960 nan 0.000 0.178 36 G C -2.244 172.770 174.900 0.191 0.000 1.262 36 G CA 0.748 45.925 45.100 0.129 0.000 1.096 36 G HN -0.533 7.995 8.290 0.102 -0.177 0.727 37 H N -2.254 116.813 119.070 -0.005 0.000 2.499 37 H HA 0.365 nan 4.556 nan 0.000 0.262 37 H C -0.941 174.397 175.328 0.017 0.000 1.363 37 H CA -1.544 54.519 56.048 0.026 0.000 1.072 37 H CB -1.067 28.694 29.762 -0.002 0.000 1.602 37 H HN 0.155 8.712 8.280 0.461 0.000 0.526 38 N N -1.221 117.489 118.700 0.017 0.000 2.299 38 N HA 0.057 nan 4.740 nan 0.000 0.246 38 N C -1.081 174.490 175.510 0.102 0.000 1.254 38 N CA -0.735 52.309 53.050 -0.010 0.000 0.879 38 N CB 0.091 38.545 38.487 -0.056 0.000 1.214 38 N HN 0.128 8.464 8.380 0.077 0.090 0.510 39 A N 1.179 124.095 122.820 0.161 0.000 3.175 39 A HA 0.211 nan 4.320 nan 0.000 0.289 39 A C -0.581 177.088 177.584 0.142 0.000 1.429 39 A CA -1.327 50.787 52.037 0.128 0.000 1.155 39 A CB -0.801 18.251 19.000 0.086 0.000 1.169 39 A HN -0.511 7.757 8.150 0.196 0.000 0.574 40 G N -0.205 108.705 108.800 0.182 0.000 2.363 40 G HA2 -0.191 nan 3.960 nan 0.000 0.285 40 G HA3 -0.191 nan 3.960 nan 0.000 0.285 40 G C -0.761 174.151 174.900 0.020 0.000 1.084 40 G CA 0.230 45.368 45.100 0.063 0.000 1.216 40 G HN -0.234 8.176 8.290 0.200 0.000 0.429 41 H N 7.690 126.690 119.070 -0.118 0.000 2.685 41 H HA 0.280 nan 4.556 nan 0.000 0.307 41 H C -1.073 174.206 175.328 -0.082 0.000 1.017 41 H CA -1.214 54.794 56.048 -0.066 0.000 1.237 41 H CB 2.026 31.762 29.762 -0.044 0.000 1.409 41 H HN 0.680 8.823 8.280 -0.041 0.112 0.488 42 T N 8.236 122.723 114.554 -0.113 0.000 2.856 42 T HA 0.413 nan 4.350 nan 0.000 0.292 42 T C -1.130 173.579 174.700 0.016 0.000 0.980 42 T CA 0.480 62.559 62.100 -0.036 0.000 1.091 42 T CB 0.294 69.131 68.868 -0.052 0.000 0.936 42 T HN 0.434 8.524 8.240 -0.250 0.000 0.503 43 L N 1.532 122.792 121.223 0.061 0.000 2.479 43 L HA 0.521 nan 4.340 nan 0.000 0.255 43 L C -1.971 174.924 176.870 0.043 0.000 1.026 43 L CA -1.016 53.869 54.840 0.076 0.000 0.842 43 L CB 3.191 45.328 42.059 0.130 0.000 1.444 43 L HN 0.798 9.054 8.230 0.044 0.000 0.409 44 V N -3.970 115.968 119.914 0.040 0.000 2.495 44 V HA 0.631 nan 4.120 nan 0.000 0.298 44 V C -1.238 174.871 176.094 0.025 0.000 1.031 44 V CA -2.134 60.183 62.300 0.029 0.000 0.871 44 V CB 1.060 32.899 31.823 0.026 0.000 0.988 44 V HN 0.028 8.246 8.190 0.047 0.000 0.432 45 I N 5.504 126.085 120.570 0.020 0.000 3.861 45 I HA 0.090 nan 4.170 nan 0.000 0.267 45 I C 0.493 176.617 176.117 0.012 0.000 0.933 45 I CA 0.461 61.770 61.300 0.015 0.000 2.302 45 I CB 1.582 39.589 38.000 0.012 0.000 1.574 45 I HN 0.052 8.273 8.210 0.019 0.000 0.472 46 N N 1.211 119.917 118.700 0.010 0.000 2.542 46 N HA -0.143 nan 4.740 nan 0.000 0.234 46 N C 0.577 176.093 175.510 0.010 0.000 1.257 46 N CA -0.092 52.963 53.050 0.009 0.000 0.883 46 N CB -1.024 37.468 38.487 0.007 0.000 1.197 46 N HN 0.107 8.493 8.380 0.010 0.000 0.488 47 G N -1.691 107.116 108.800 0.012 0.000 2.267 47 G HA2 -0.436 nan 3.960 nan 0.000 0.257 47 G HA3 -0.436 nan 3.960 nan 0.000 0.257 47 G C -1.067 173.841 174.900 0.014 0.000 0.998 47 G CA 0.247 45.355 45.100 0.013 0.000 0.620 47 G HN -0.247 7.944 8.290 0.013 0.107 0.529 48 E N 0.370 120.578 120.200 0.014 0.000 2.318 48 E HA 0.061 nan 4.350 nan 0.000 0.265 48 E C -1.333 175.277 176.600 0.017 0.000 1.069 48 E CA -1.085 55.324 56.400 0.015 0.000 0.893 48 E CB 1.296 31.005 29.700 0.014 0.000 1.076 48 E HN -0.242 7.995 8.360 0.013 0.131 0.414 49 K N 2.957 123.368 120.400 0.018 0.000 2.281 49 K HA 0.280 nan 4.320 nan 0.000 0.272 49 K C -0.926 175.686 176.600 0.019 0.000 1.048 49 K CA -0.736 55.563 56.287 0.020 0.000 0.898 49 K CB 0.692 33.204 32.500 0.020 0.000 1.128 49 K HN 0.207 8.467 8.250 0.018 0.000 0.460 50 T N 8.655 123.220 114.554 0.019 0.000 2.829 50 T HA 0.307 nan 4.350 nan 0.000 0.280 50 T C -1.809 172.891 174.700 0.001 0.000 0.999 50 T CA -0.472 61.636 62.100 0.014 0.000 0.983 50 T CB 2.503 71.379 68.868 0.013 0.000 0.968 50 T HN 0.692 8.842 8.240 0.021 0.103 0.446 51 V N 5.435 125.335 119.914 -0.024 0.000 2.398 51 V HA 0.600 nan 4.120 nan 0.000 0.286 51 V C -1.144 174.812 176.094 -0.230 0.000 1.026 51 V CA -0.959 61.272 62.300 -0.115 0.000 0.868 51 V CB 0.845 32.596 31.823 -0.120 0.000 0.982 51 V HN 0.399 8.587 8.190 -0.003 0.000 0.443 52 L N 4.796 125.881 121.223 -0.230 0.000 2.307 52 L HA 0.482 nan 4.340 nan 0.000 0.284 52 L C -0.329 176.341 176.870 -0.334 0.000 1.023 52 L CA -1.037 53.681 54.840 -0.203 0.000 0.810 52 L CB 1.468 43.483 42.059 -0.074 0.000 1.231 52 L HN 0.483 8.638 8.230 -0.126 0.000 0.423 53 H N 1.677 120.785 119.070 0.064 0.000 3.058 53 H HA 0.227 nan 4.556 nan 0.000 0.258 53 H C 0.486 175.856 175.328 0.069 0.000 1.015 53 H CA 2.195 58.285 56.048 0.069 0.000 1.210 53 H CB 1.621 31.427 29.762 0.074 0.000 1.481 53 H HN 1.223 10.010 8.280 0.013 -0.500 0.492 54 L N -0.874 120.434 121.223 0.141 0.000 2.675 54 L HA 0.200 nan 4.340 nan 0.000 0.178 54 L C -0.959 175.930 176.870 0.031 0.000 1.135 54 L CA 0.324 55.216 54.840 0.088 0.000 0.855 54 L CB 2.181 44.283 42.059 0.072 0.000 1.235 54 L HN -0.617 8.075 8.230 0.108 -0.397 0.499 55 I N 0.286 120.863 120.570 0.012 0.000 2.683 55 I HA -0.167 nan 4.170 nan 0.000 0.286 55 I C -1.872 174.224 176.117 -0.036 0.000 1.175 55 I CA -0.372 60.921 61.300 -0.012 0.000 1.429 55 I CB -0.499 37.491 38.000 -0.017 0.000 1.371 55 I HN -0.304 8.307 8.210 0.020 -0.389 0.569 56 P HA 0.141 nan 4.420 nan 0.000 0.271 56 P C 0.591 177.819 177.300 -0.118 0.000 1.226 56 P CA -0.139 62.921 63.100 -0.066 0.000 0.765 56 P CB 0.244 31.927 31.700 -0.027 0.000 0.835 57 S N 7.087 122.644 115.700 -0.237 0.000 2.409 57 S HA -0.428 nan 4.470 nan 0.000 0.237 57 S C 2.419 176.911 174.600 -0.180 0.000 1.060 57 S CA 4.264 62.249 58.200 -0.358 0.000 1.052 57 S CB -0.697 62.027 63.200 -0.794 0.000 0.871 57 S HN 0.711 8.868 8.310 -0.255 0.000 0.465 58 G N 1.506 110.236 108.800 -0.117 0.000 2.564 58 G HA2 -0.185 nan 3.960 nan 0.000 0.216 58 G HA3 -0.185 nan 3.960 nan 0.000 0.216 58 G C 1.295 176.165 174.900 -0.050 0.000 1.124 58 G CA 0.819 45.882 45.100 -0.061 0.000 0.764 58 G HN 0.266 8.459 8.290 -0.118 0.027 0.550 59 I N 2.575 123.112 120.570 -0.055 0.000 2.454 59 I HA -0.356 nan 4.170 nan 0.000 0.254 59 I C 0.657 176.755 176.117 -0.033 0.000 1.156 59 I CA 1.517 62.794 61.300 -0.039 0.000 1.433 59 I CB 0.153 38.130 38.000 -0.038 0.000 1.082 59 I HN 0.300 8.279 8.210 -0.072 0.187 0.432 60 L N -1.909 119.293 121.223 -0.035 0.000 2.093 60 L HA -0.263 nan 4.340 nan 0.000 0.208 60 L C 0.943 177.801 176.870 -0.021 0.000 1.085 60 L CA 1.891 56.718 54.840 -0.022 0.000 0.755 60 L CB -0.533 41.518 42.059 -0.014 0.000 0.904 60 L HN -0.470 7.703 8.230 -0.048 0.029 0.435 61 R N -0.925 119.559 120.500 -0.026 0.000 2.543 61 R HA -0.143 nan 4.340 nan 0.000 0.277 61 R C 0.177 176.456 176.300 -0.036 0.000 1.074 61 R CA 0.597 56.679 56.100 -0.029 0.000 1.076 61 R CB 0.390 30.671 30.300 -0.032 0.000 0.993 61 R HN -0.707 7.419 8.270 -0.031 0.126 0.459 62 E N 2.997 123.175 120.200 -0.037 0.000 2.075 62 E HA -0.201 nan 4.350 nan 0.000 0.190 62 E C 0.543 177.109 176.600 -0.057 0.000 0.969 62 E CA 1.690 58.065 56.400 -0.040 0.000 0.815 62 E CB 0.158 29.838 29.700 -0.034 0.000 0.776 62 E HN 0.387 8.726 8.360 -0.034 0.000 0.457 63 N N -1.121 117.536 118.700 -0.070 0.000 2.370 63 N HA 0.045 nan 4.740 nan 0.000 0.198 63 N C -1.442 173.982 175.510 -0.143 0.000 1.156 63 N CA 0.160 53.150 53.050 -0.099 0.000 0.839 63 N CB -0.026 38.402 38.487 -0.100 0.000 0.989 63 N HN -0.041 8.302 8.380 -0.063 0.000 0.468 64 V N -0.846 118.996 119.914 -0.120 0.000 2.612 64 V HA 0.453 nan 4.120 nan 0.000 0.301 64 V C -0.350 175.678 176.094 -0.110 0.000 1.046 64 V CA -0.802 61.412 62.300 -0.143 0.000 0.946 64 V CB 1.735 33.504 31.823 -0.088 0.000 1.003 64 V HN -0.797 7.240 8.190 -0.087 0.101 0.459 65 T N 8.871 123.353 114.554 -0.119 0.000 2.807 65 T HA 0.383 nan 4.350 nan 0.000 0.279 65 T C -1.352 173.397 174.700 0.081 0.000 0.993 65 T CA -1.032 61.076 62.100 0.013 0.000 0.970 65 T CB 2.147 71.090 68.868 0.125 0.000 0.950 65 T HN 0.647 8.753 8.240 -0.224 0.000 0.441 66 S N 5.839 121.573 115.700 0.056 0.000 2.489 66 S HA 0.898 nan 4.470 nan 0.000 0.291 66 S C -1.630 173.003 174.600 0.056 0.000 1.151 66 S CA -0.622 57.606 58.200 0.046 0.000 1.082 66 S CB 1.394 64.600 63.200 0.011 0.000 1.019 66 S HN 1.047 9.271 8.310 0.039 0.110 0.492 67 I N 3.409 124.010 120.570 0.051 0.000 2.533 67 I HA 0.484 nan 4.170 nan 0.000 0.290 67 I C -1.847 174.300 176.117 0.049 0.000 1.056 67 I CA -0.658 60.669 61.300 0.046 0.000 1.057 67 I CB 3.853 41.874 38.000 0.035 0.000 1.240 67 I HN 0.438 8.676 8.210 0.047 0.000 0.423 68 I N 6.711 127.307 120.570 0.044 0.000 2.306 68 I HA 0.382 nan 4.170 nan 0.000 0.288 68 I C -0.713 175.445 176.117 0.068 0.000 1.036 68 I CA -1.127 60.203 61.300 0.049 0.000 1.221 68 I CB 1.144 39.158 38.000 0.022 0.000 1.385 68 I HN 0.858 9.089 8.210 0.035 0.000 0.472 69 G N 6.258 115.125 108.800 0.112 0.000 2.606 69 G HA2 0.046 nan 3.960 nan 0.000 0.252 69 G HA3 0.046 nan 3.960 nan 0.000 0.252 69 G C 0.313 175.281 174.900 0.114 0.000 1.206 69 G CA -1.500 43.681 45.100 0.135 0.000 0.861 69 G HN 0.770 9.037 8.290 0.135 0.104 0.561 70 N N 0.717 119.484 118.700 0.111 0.000 2.503 70 N HA -0.376 nan 4.740 nan 0.000 0.189 70 N C 1.343 176.923 175.510 0.116 0.000 1.048 70 N CA 2.424 55.532 53.050 0.096 0.000 0.905 70 N CB -0.542 38.002 38.487 0.094 0.000 0.951 70 N HN 0.469 8.919 8.380 0.115 0.000 0.446 71 G N -0.845 108.049 108.800 0.157 0.000 2.712 71 G HA2 -0.062 nan 3.960 nan 0.000 0.212 71 G HA3 -0.062 nan 3.960 nan 0.000 0.212 71 G C -1.221 173.784 174.900 0.176 0.000 1.142 71 G CA 0.306 45.525 45.100 0.197 0.000 0.789 71 G HN -0.400 7.923 8.290 0.173 0.071 0.535 72 V N 1.447 121.420 119.914 0.098 0.000 2.465 72 V HA 0.345 nan 4.120 nan 0.000 0.279 72 V C 0.294 176.356 176.094 -0.053 0.000 1.045 72 V CA -0.266 62.059 62.300 0.042 0.000 0.938 72 V CB 0.192 32.030 31.823 0.025 0.000 0.986 72 V HN -0.252 7.844 8.190 0.092 0.149 0.467 73 V N 3.622 123.432 119.914 -0.173 0.000 2.488 73 V HA 0.289 nan 4.120 nan 0.000 0.277 73 V C -1.143 174.838 176.094 -0.189 0.000 1.046 73 V CA -1.097 61.018 62.300 -0.308 0.000 0.986 73 V CB -0.483 30.985 31.823 -0.591 0.000 0.989 73 V HN 0.593 8.711 8.190 -0.120 0.000 0.475 74 L N 6.482 127.598 121.223 -0.179 0.000 2.313 74 L HA 0.535 nan 4.340 nan 0.000 0.283 74 L C -1.722 175.020 176.870 -0.214 0.000 1.013 74 L CA -1.261 53.478 54.840 -0.167 0.000 0.816 74 L CB 3.747 45.739 42.059 -0.112 0.000 1.236 74 L HN 1.028 9.041 8.230 -0.180 0.109 0.419 75 S N 6.122 121.642 115.700 -0.300 0.000 2.420 75 S HA 0.409 nan 4.470 nan 0.000 0.313 75 S C -0.812 173.656 174.600 -0.220 0.000 1.079 75 S CA -4.458 53.553 58.200 -0.316 0.000 1.104 75 S CB 0.712 63.565 63.200 -0.578 0.000 0.969 75 S HN 0.511 8.615 8.310 -0.344 0.000 0.471 76 P HA -0.280 nan 4.420 nan 0.000 0.215 76 P C 0.097 177.336 177.300 -0.102 0.000 1.157 76 P CA 2.655 65.686 63.100 -0.115 0.000 0.874 76 P CB -0.018 31.625 31.700 -0.095 0.000 0.790 77 A N -3.228 119.532 122.820 -0.100 0.000 1.869 77 A HA -0.362 nan 4.320 nan 0.000 0.218 77 A C 1.917 179.459 177.584 -0.070 0.000 1.203 77 A CA 3.013 55.006 52.037 -0.073 0.000 0.638 77 A CB -0.962 18.000 19.000 -0.063 0.000 0.831 77 A HN 0.085 8.171 8.150 -0.106 0.000 0.450 78 A N -1.996 120.755 122.820 -0.116 0.000 1.972 78 A HA -0.249 nan 4.320 nan 0.000 0.219 78 A C 2.030 179.584 177.584 -0.050 0.000 1.169 78 A CA 2.832 54.823 52.037 -0.078 0.000 0.635 78 A CB -0.846 18.046 19.000 -0.179 0.000 0.810 78 A HN -0.228 7.810 8.150 -0.186 0.000 0.446 79 L N -1.221 119.953 121.223 -0.082 0.000 2.056 79 L HA -0.257 nan 4.340 nan 0.000 0.207 79 L C 2.158 179.006 176.870 -0.036 0.000 1.078 79 L CA 3.232 58.039 54.840 -0.055 0.000 0.749 79 L CB -0.130 41.885 42.059 -0.072 0.000 0.901 79 L HN -0.056 7.999 8.230 -0.122 0.102 0.433 80 M N -1.654 117.921 119.600 -0.041 0.000 2.175 80 M HA -0.340 nan 4.480 nan 0.000 0.264 80 M C 2.349 178.641 176.300 -0.013 0.000 1.063 80 M CA 1.759 57.041 55.300 -0.030 0.000 1.119 80 M CB -1.671 30.909 32.600 -0.034 0.000 1.377 80 M HN 0.510 8.661 8.290 -0.055 0.106 0.415 81 K N 0.529 120.926 120.400 -0.006 0.000 1.991 81 K HA -0.392 nan 4.320 nan 0.000 0.212 81 K C 2.148 178.759 176.600 0.018 0.000 1.049 81 K CA 3.831 60.126 56.287 0.012 0.000 0.932 81 K CB -0.263 32.253 32.500 0.028 0.000 0.717 81 K HN -0.035 8.207 8.250 -0.013 0.000 0.441 82 E N -1.236 118.979 120.200 0.025 0.000 2.051 82 E HA -0.419 nan 4.350 nan 0.000 0.192 82 E C 2.370 178.973 176.600 0.006 0.000 0.991 82 E CA 2.796 59.210 56.400 0.023 0.000 0.799 82 E CB -0.109 29.608 29.700 0.028 0.000 0.748 82 E HN -0.707 7.669 8.360 0.027 0.000 0.449 83 M N 0.361 119.960 119.600 -0.002 0.000 2.088 83 M HA -0.509 nan 4.480 nan 0.000 0.256 83 M C 1.612 177.908 176.300 -0.006 0.000 1.071 83 M CA 4.138 59.433 55.300 -0.009 0.000 1.097 83 M CB 0.053 32.643 32.600 -0.016 0.000 1.315 83 M HN -0.026 8.262 8.290 -0.004 0.000 0.406 84 K N -2.333 118.064 120.400 -0.004 0.000 2.063 84 K HA -0.416 nan 4.320 nan 0.000 0.208 84 K C 2.375 178.976 176.600 0.001 0.000 1.048 84 K CA 3.617 59.903 56.287 -0.002 0.000 0.928 84 K CB -0.480 32.019 32.500 -0.002 0.000 0.713 84 K HN -0.147 8.100 8.250 -0.005 0.000 0.442 85 E N -0.165 120.038 120.200 0.006 0.000 2.085 85 E HA -0.332 nan 4.350 nan 0.000 0.194 85 E C 2.811 179.414 176.600 0.005 0.000 0.994 85 E CA 3.047 59.452 56.400 0.008 0.000 0.801 85 E CB -0.141 29.568 29.700 0.014 0.000 0.743 85 E HN -0.528 7.767 8.360 0.008 0.069 0.453 86 L N -1.633 119.591 121.223 0.001 0.000 2.068 86 L HA -0.303 nan 4.340 nan 0.000 0.204 86 L C 2.343 179.212 176.870 -0.003 0.000 1.076 86 L CA 3.073 57.912 54.840 -0.002 0.000 0.753 86 L CB -0.262 41.793 42.059 -0.006 0.000 0.910 86 L HN 0.067 8.296 8.230 0.001 0.002 0.439 87 E N -0.214 119.983 120.200 -0.004 0.000 2.086 87 E HA -0.449 nan 4.350 nan 0.000 0.200 87 E C 2.955 179.554 176.600 -0.002 0.000 1.012 87 E CA 3.244 59.641 56.400 -0.005 0.000 0.812 87 E CB -0.742 28.954 29.700 -0.006 0.000 0.743 87 E HN 0.268 8.625 8.360 -0.005 0.000 0.453 88 D N -0.506 119.894 120.400 -0.001 0.000 2.149 88 D HA -0.211 nan 4.640 nan 0.000 0.198 88 D C 1.182 177.483 176.300 0.001 0.000 0.990 88 D CA 2.557 56.558 54.000 0.001 0.000 0.839 88 D CB -0.349 40.452 40.800 0.003 0.000 0.948 88 D HN 0.200 8.468 8.370 -0.000 0.101 0.460 89 R N -2.545 117.956 120.500 0.002 0.000 2.547 89 R HA 0.069 nan 4.340 nan 0.000 0.258 89 R C 0.316 176.616 176.300 0.000 0.000 1.115 89 R CA -1.234 54.867 56.100 0.002 0.000 1.152 89 R CB -1.536 28.767 30.300 0.004 0.000 1.221 89 R HN -0.747 7.425 8.270 0.002 0.099 0.539 90 G N -0.967 107.833 108.800 -0.001 0.000 2.198 90 G HA2 -0.436 nan 3.960 nan 0.000 0.260 90 G HA3 -0.436 nan 3.960 nan 0.000 0.260 90 G C -0.651 174.247 174.900 -0.004 0.000 1.025 90 G CA 0.833 45.932 45.100 -0.003 0.000 0.769 90 G HN -0.097 8.001 8.290 -0.001 0.191 0.507 91 I N 1.546 122.113 120.570 -0.005 0.000 2.330 91 I HA 0.277 nan 4.170 nan 0.000 0.289 91 I C -1.437 174.675 176.117 -0.009 0.000 1.001 91 I CA -3.653 57.642 61.300 -0.008 0.000 1.193 91 I CB 1.425 39.420 38.000 -0.009 0.000 1.345 91 I HN -0.428 7.779 8.210 -0.004 0.000 0.461 92 P HA 0.109 nan 4.420 nan 0.000 0.235 92 P C 0.241 177.535 177.300 -0.010 0.000 1.765 92 P CA -0.277 62.818 63.100 -0.009 0.000 1.034 92 P CB -1.636 30.059 31.700 -0.009 0.000 1.984 93 V N 4.591 124.499 119.914 -0.010 0.000 2.282 93 V HA -0.526 nan 4.120 nan 0.000 0.249 93 V C 1.804 177.893 176.094 -0.009 0.000 1.057 93 V CA 4.287 66.581 62.300 -0.011 0.000 1.032 93 V CB -0.737 31.079 31.823 -0.012 0.000 0.645 93 V HN 0.231 8.369 8.190 -0.010 0.047 0.447 94 R N -2.433 118.061 120.500 -0.010 0.000 2.154 94 R HA -0.352 nan 4.340 nan 0.000 0.248 94 R C 1.892 178.190 176.300 -0.004 0.000 1.155 94 R CA 2.707 58.802 56.100 -0.009 0.000 0.979 94 R CB -0.751 29.543 30.300 -0.010 0.000 0.869 94 R HN 0.223 8.487 8.270 -0.010 0.000 0.452 95 E N -2.058 118.139 120.200 -0.004 0.000 2.033 95 E HA -0.156 nan 4.350 nan 0.000 0.189 95 E C 1.822 178.423 176.600 0.002 0.000 0.979 95 E CA 2.017 58.416 56.400 -0.002 0.000 0.802 95 E CB 0.321 30.017 29.700 -0.005 0.000 0.763 95 E HN -0.291 7.910 8.360 -0.006 0.155 0.449 96 R N -3.538 116.961 120.500 -0.002 0.000 2.240 96 R HA -0.018 nan 4.340 nan 0.000 0.203 96 R C -0.340 175.967 176.300 0.012 0.000 1.011 96 R CA 1.238 57.338 56.100 0.000 0.000 1.007 96 R CB 0.876 31.169 30.300 -0.011 0.000 0.911 96 R HN -0.695 7.572 8.270 -0.006 0.000 0.468 97 L N -0.850 120.378 121.223 0.009 0.000 2.322 97 L HA 0.534 nan 4.340 nan 0.000 0.279 97 L C -1.825 175.057 176.870 0.020 0.000 1.036 97 L CA -0.526 54.322 54.840 0.013 0.000 0.807 97 L CB 2.232 44.292 42.059 0.001 0.000 1.226 97 L HN -0.560 7.673 8.230 0.004 0.000 0.433 98 L N 4.414 125.653 121.223 0.027 0.000 2.409 98 L HA 0.652 nan 4.340 nan 0.000 0.262 98 L C -2.165 174.719 176.870 0.024 0.000 0.992 98 L CA -1.187 53.670 54.840 0.029 0.000 0.817 98 L CB 3.936 46.019 42.059 0.040 0.000 1.350 98 L HN 1.057 9.203 8.230 0.031 0.102 0.411 99 L N -2.855 118.381 121.223 0.021 0.000 2.422 99 L HA 0.820 nan 4.340 nan 0.000 0.264 99 L C -1.706 175.184 176.870 0.032 0.000 0.984 99 L CA -1.676 53.175 54.840 0.019 0.000 0.819 99 L CB 2.554 44.611 42.059 -0.004 0.000 1.330 99 L HN 0.223 8.368 8.230 0.024 0.099 0.410 100 S N 0.024 115.748 115.700 0.040 0.000 2.549 100 S HA 0.003 nan 4.470 nan 0.000 0.279 100 S C 1.187 175.820 174.600 0.055 0.000 1.321 100 S CA -0.205 58.028 58.200 0.055 0.000 1.054 100 S CB 1.189 64.427 63.200 0.063 0.000 0.899 100 S HN -0.048 8.286 8.310 0.040 0.000 0.497 101 E N 8.153 128.404 120.200 0.085 0.000 2.478 101 E HA -0.148 nan 4.350 nan 0.000 0.198 101 E C 0.685 177.335 176.600 0.085 0.000 1.046 101 E CA 1.628 58.091 56.400 0.104 0.000 0.870 101 E CB -1.159 28.672 29.700 0.219 0.000 0.818 101 E HN 0.847 9.263 8.360 0.095 0.000 0.527 102 A N -1.506 121.358 122.820 0.074 0.000 2.251 102 A HA 0.112 nan 4.320 nan 0.000 0.209 102 A C 0.009 177.624 177.584 0.052 0.000 1.187 102 A CA -0.094 51.984 52.037 0.069 0.000 0.823 102 A CB -0.062 18.981 19.000 0.072 0.000 0.846 102 A HN -0.366 7.763 8.150 0.073 0.064 0.486 103 C N 2.171 121.492 119.300 0.035 0.000 2.651 103 C HA 0.023 nan 4.460 nan 0.000 0.410 103 C C -1.978 173.003 174.990 -0.015 0.000 1.372 103 C CA -0.945 58.077 59.018 0.006 0.000 1.707 103 C CB -1.745 25.987 27.740 -0.013 0.000 2.501 103 C HN -0.536 7.560 8.230 0.036 0.156 0.598 104 P HA 0.216 nan 4.420 nan 0.000 0.271 104 P C -1.654 175.584 177.300 -0.104 0.000 1.218 104 P CA 0.333 63.396 63.100 -0.061 0.000 0.780 104 P CB 0.292 31.918 31.700 -0.123 0.000 0.901 105 L N 1.803 122.992 121.223 -0.057 0.000 2.334 105 L HA 0.463 nan 4.340 nan 0.000 0.277 105 L C -0.759 175.995 176.870 -0.193 0.000 1.075 105 L CA -0.745 54.049 54.840 -0.076 0.000 0.804 105 L CB 1.320 43.405 42.059 0.043 0.000 1.174 105 L HN 0.493 8.730 8.230 0.013 0.000 0.438 106 I N 1.253 121.680 120.570 -0.240 0.000 2.330 106 I HA 0.167 nan 4.170 nan 0.000 0.289 106 I C -1.484 174.546 176.117 -0.145 0.000 1.001 106 I CA -0.561 60.543 61.300 -0.327 0.000 1.193 106 I CB 0.228 38.052 38.000 -0.293 0.000 1.345 106 I HN 0.479 8.462 8.210 -0.199 0.107 0.461 107 L N 3.558 124.757 121.223 -0.040 0.000 2.304 107 L HA 0.262 nan 4.340 nan 0.000 0.268 107 L C 0.502 177.217 176.870 -0.258 0.000 1.010 107 L CA -1.772 52.951 54.840 -0.195 0.000 0.813 107 L CB 2.029 43.888 42.059 -0.333 0.000 1.315 107 L HN -0.654 7.761 8.230 0.308 0.000 0.445 108 D N 1.332 121.645 120.400 -0.145 0.000 2.158 108 D HA -0.378 nan 4.640 nan 0.000 0.197 108 D C 2.237 178.516 176.300 -0.035 0.000 0.995 108 D CA 4.767 58.736 54.000 -0.051 0.000 0.846 108 D CB -0.230 40.584 40.800 0.023 0.000 0.941 108 D HN 0.640 8.958 8.370 -0.085 0.000 0.456 109 Y N -4.718 115.566 120.300 -0.027 0.000 2.256 109 Y HA -0.291 nan 4.550 nan 0.000 0.288 109 Y C 1.853 177.654 175.900 -0.166 0.000 1.155 109 Y CA 2.429 60.472 58.100 -0.095 0.000 1.203 109 Y CB -1.420 36.980 38.460 -0.099 0.000 0.980 109 Y HN -0.118 8.098 8.280 -0.082 0.015 0.530 110 H N -0.445 118.453 119.070 -0.287 0.000 2.353 110 H HA -0.270 nan 4.556 nan 0.000 0.300 110 H C 2.694 177.955 175.328 -0.112 0.000 1.090 110 H CA 4.691 60.614 56.048 -0.208 0.000 1.327 110 H CB -0.232 29.363 29.762 -0.278 0.000 1.383 110 H HN -0.438 7.396 8.280 -0.715 0.017 0.508 111 V N -0.594 119.337 119.914 0.028 0.000 2.427 111 V HA -0.374 nan 4.120 nan 0.000 0.248 111 V C 1.698 177.786 176.094 -0.011 0.000 1.051 111 V CA 4.151 66.457 62.300 0.009 0.000 1.048 111 V CB -1.222 30.605 31.823 0.008 0.000 0.666 111 V HN -0.555 7.557 8.190 0.002 0.078 0.456 112 A N 0.256 123.073 122.820 -0.005 0.000 1.877 112 A HA -0.290 nan 4.320 nan 0.000 0.216 112 A C 1.865 179.404 177.584 -0.074 0.000 1.186 112 A CA 3.537 55.564 52.037 -0.016 0.000 0.620 112 A CB -0.770 18.249 19.000 0.032 0.000 0.822 112 A HN 0.283 8.369 8.150 0.008 0.068 0.443 113 L N -1.883 119.301 121.223 -0.064 0.000 1.989 113 L HA -0.441 nan 4.340 nan 0.000 0.211 113 L C 2.432 179.202 176.870 -0.166 0.000 1.071 113 L CA 2.928 57.690 54.840 -0.129 0.000 0.749 113 L CB -1.849 40.188 42.059 -0.037 0.000 0.890 113 L HN 0.402 8.511 8.230 -0.024 0.107 0.431 114 D N -0.671 119.686 120.400 -0.071 0.000 2.087 114 D HA -0.330 nan 4.640 nan 0.000 0.192 114 D C 2.790 179.039 176.300 -0.085 0.000 0.993 114 D CA 3.391 57.359 54.000 -0.054 0.000 0.828 114 D CB -0.299 40.489 40.800 -0.020 0.000 0.968 114 D HN -0.072 8.277 8.370 -0.034 0.000 0.448 115 N N -0.368 118.284 118.700 -0.081 0.000 2.104 115 N HA -0.315 nan 4.740 nan 0.000 0.190 115 N C 2.306 177.748 175.510 -0.113 0.000 1.024 115 N CA 3.051 56.055 53.050 -0.077 0.000 0.853 115 N CB -0.156 38.298 38.487 -0.055 0.000 1.008 115 N HN 0.120 8.354 8.380 -0.066 0.107 0.424 116 A N 0.214 122.913 122.820 -0.201 0.000 1.902 116 A HA -0.179 nan 4.320 nan 0.000 0.217 116 A C 2.006 179.411 177.584 -0.299 0.000 1.181 116 A CA 2.633 54.491 52.037 -0.297 0.000 0.623 116 A CB -0.444 18.211 19.000 -0.576 0.000 0.818 116 A HN 0.376 8.295 8.150 -0.207 0.106 0.443 117 R N -2.089 118.206 120.500 -0.342 0.000 2.080 117 R HA -0.301 nan 4.340 nan 0.000 0.236 117 R C 2.535 178.827 176.300 -0.014 0.000 1.137 117 R CA 3.049 59.080 56.100 -0.114 0.000 0.943 117 R CB 0.249 30.518 30.300 -0.052 0.000 0.846 117 R HN -0.128 7.908 8.270 -0.390 0.000 0.431 118 E N -2.619 117.561 120.200 -0.034 0.000 2.230 118 E HA -0.115 nan 4.350 nan 0.000 0.192 118 E C 1.714 178.308 176.600 -0.011 0.000 0.987 118 E CA 1.579 57.972 56.400 -0.012 0.000 0.841 118 E CB 0.448 30.139 29.700 -0.016 0.000 0.783 118 E HN -0.583 7.742 8.360 -0.059 0.000 0.481 119 K N -0.227 120.158 120.400 -0.025 0.000 3.192 119 K HA 0.005 nan 4.320 nan 0.000 0.269 119 K C -1.712 174.886 176.600 -0.003 0.000 1.270 119 K CA -1.216 55.061 56.287 -0.016 0.000 1.249 119 K CB -1.890 30.596 32.500 -0.024 0.000 1.528 119 K HN -0.064 8.048 8.250 -0.046 0.110 0.360 120 A N -1.211 121.617 122.820 0.013 0.000 3.136 120 A HA 0.178 nan 4.320 nan 0.000 0.299 120 A C -1.624 175.979 177.584 0.032 0.000 1.197 120 A CA -0.494 51.564 52.037 0.035 0.000 0.640 120 A CB 1.449 20.503 19.000 0.090 0.000 1.440 120 A HN -0.347 7.702 8.150 0.011 0.107 0.614 121 R N -0.581 119.941 120.500 0.037 0.000 3.752 121 R HA -0.245 nan 4.340 nan 0.000 0.227 121 R C -0.122 176.194 176.300 0.025 0.000 0.592 121 R CA 2.922 59.038 56.100 0.027 0.000 0.981 121 R CB -1.316 29.004 30.300 0.034 0.000 0.973 121 R HN 0.836 9.132 8.270 0.045 0.000 0.330 122 G N 1.897 110.706 108.800 0.015 0.000 2.473 122 G HA2 -0.303 nan 3.960 nan 0.000 0.289 122 G HA3 -0.303 nan 3.960 nan 0.000 0.289 122 G C -0.476 174.430 174.900 0.010 0.000 1.084 122 G CA -0.439 44.668 45.100 0.012 0.000 1.215 122 G HN 0.082 8.379 8.290 0.011 0.000 0.527 123 A N 0.049 122.873 122.820 0.007 0.000 1.851 123 A HA -0.172 nan 4.320 nan 0.000 0.216 123 A C 1.012 178.597 177.584 0.002 0.000 1.195 123 A CA 1.627 53.666 52.037 0.003 0.000 0.622 123 A CB 0.288 19.289 19.000 0.001 0.000 0.831 123 A HN -0.058 8.096 8.150 0.006 0.000 0.444 124 K N 0.544 120.945 120.400 0.003 0.000 2.243 124 K HA -0.077 nan 4.320 nan 0.000 0.232 124 K C -1.656 174.948 176.600 0.007 0.000 1.237 124 K CA -0.595 55.694 56.287 0.004 0.000 1.161 124 K CB -1.338 31.165 32.500 0.004 0.000 1.505 124 K HN 0.011 8.263 8.250 0.004 0.000 0.271 125 A N 3.740 126.563 122.820 0.005 0.000 3.613 125 A HA 0.364 nan 4.320 nan 0.000 0.276 125 A C -1.969 175.616 177.584 0.002 0.000 1.115 125 A CA -0.433 51.608 52.037 0.006 0.000 0.652 125 A CB 1.894 20.896 19.000 0.004 0.000 1.498 125 A HN -0.030 8.074 8.150 0.002 0.047 0.710 126 I N -4.894 115.671 120.570 -0.008 0.000 2.503 126 I HA 0.397 nan 4.170 nan 0.000 0.282 126 I C -1.229 174.865 176.117 -0.038 0.000 1.059 126 I CA -0.372 60.916 61.300 -0.020 0.000 1.081 126 I CB 0.885 38.873 38.000 -0.020 0.000 1.210 126 I HN -0.093 8.109 8.210 -0.012 0.000 0.450 127 G N 6.387 115.171 108.800 -0.026 0.000 3.302 127 G HA2 -0.025 nan 3.960 nan 0.000 0.137 127 G HA3 -0.025 nan 3.960 nan 0.000 0.137 127 G C -1.625 173.267 174.900 -0.014 0.000 1.353 127 G CA 1.306 46.393 45.100 -0.021 0.000 0.965 127 G HN 0.462 9.115 8.290 -0.020 -0.375 0.564 128 T N -3.191 111.356 114.554 -0.013 0.000 2.168 128 T HA 0.188 nan 4.350 nan 0.000 0.169 128 T C -0.614 174.071 174.700 -0.026 0.000 0.707 128 T CA -0.678 61.412 62.100 -0.016 0.000 1.189 128 T CB 1.185 70.046 68.868 -0.012 0.000 2.706 128 T HN -0.495 7.777 8.240 -0.011 -0.039 0.405 129 T N 4.874 119.407 114.554 -0.034 0.000 3.803 129 T HA -0.303 nan 4.350 nan 0.000 0.386 129 T C -1.078 173.598 174.700 -0.039 0.000 0.761 129 T CA 1.215 63.292 62.100 -0.038 0.000 2.046 129 T CB -1.324 67.525 68.868 -0.032 0.000 1.764 129 T HN 0.298 8.395 8.240 -0.040 0.119 0.798 130 G N -0.153 108.622 108.800 -0.042 0.000 2.899 130 G HA2 0.257 nan 3.960 nan 0.000 0.137 130 G HA3 0.257 nan 3.960 nan 0.000 0.137 130 G C -1.230 173.637 174.900 -0.055 0.000 1.198 130 G CA 0.180 45.247 45.100 -0.055 0.000 1.126 130 G HN -0.485 7.783 8.290 -0.038 0.000 0.589 131 R N -0.180 120.261 120.500 -0.098 0.000 2.152 131 R HA -0.266 nan 4.340 nan 0.000 0.232 131 R C 0.934 177.246 176.300 0.020 0.000 1.117 131 R CA 1.458 57.491 56.100 -0.113 0.000 0.981 131 R CB 0.134 30.170 30.300 -0.441 0.000 0.870 131 R HN 0.217 8.414 8.270 -0.122 0.000 0.451 132 G N -2.970 105.831 108.800 0.002 0.000 2.131 132 G HA2 -0.347 nan 3.960 nan 0.000 0.223 132 G HA3 -0.347 nan 3.960 nan 0.000 0.223 132 G C 0.035 174.916 174.900 -0.031 0.000 0.990 132 G CA 0.469 45.579 45.100 0.016 0.000 0.671 132 G HN 0.154 8.698 8.290 -0.018 -0.265 0.521 133 I N 1.072 121.639 120.570 -0.004 0.000 2.202 133 I HA -0.352 nan 4.170 nan 0.000 0.242 133 I C 1.077 177.243 176.117 0.082 0.000 1.091 133 I CA 3.723 65.017 61.300 -0.010 0.000 1.368 133 I CB -0.176 37.868 38.000 0.073 0.000 1.058 133 I HN -0.127 8.085 8.210 0.004 0.000 0.410 134 G N -0.845 108.043 108.800 0.147 0.000 2.421 134 G HA2 -0.152 nan 3.960 nan 0.000 0.216 134 G HA3 -0.152 nan 3.960 nan 0.000 0.216 134 G C -1.761 173.236 174.900 0.162 0.000 1.171 134 G CA 2.851 48.070 45.100 0.198 0.000 0.775 134 G HN 0.532 8.886 8.290 0.107 0.000 0.543 135 P HA -0.184 nan 4.420 nan 0.000 0.217 135 P C 0.819 178.217 177.300 0.163 0.000 1.150 135 P CA 2.603 65.817 63.100 0.190 0.000 0.832 135 P CB -0.401 31.442 31.700 0.238 0.000 0.787 136 A N -2.139 120.573 122.820 -0.179 0.000 1.898 136 A HA -0.224 nan 4.320 nan 0.000 0.216 136 A C 2.204 179.707 177.584 -0.134 0.000 1.181 136 A CA 2.974 54.755 52.037 -0.426 0.000 0.620 136 A CB -0.721 17.856 19.000 -0.705 0.000 0.819 136 A HN -0.573 7.447 8.150 -0.218 0.000 0.442 137 Y N -1.445 118.841 120.300 -0.024 0.000 2.114 137 Y HA -0.496 nan 4.550 nan 0.000 0.282 137 Y C 2.033 177.965 175.900 0.055 0.000 1.165 137 Y CA 3.484 61.596 58.100 0.019 0.000 1.148 137 Y CB -0.516 37.958 38.460 0.023 0.000 0.972 137 Y HN -0.094 8.114 8.280 -0.120 0.000 0.504 138 E N -0.880 119.465 120.200 0.241 0.000 2.085 138 E HA -0.476 nan 4.350 nan 0.000 0.194 138 E C 2.468 179.177 176.600 0.183 0.000 0.994 138 E CA 3.382 59.901 56.400 0.197 0.000 0.801 138 E CB -0.315 29.506 29.700 0.202 0.000 0.743 138 E HN 0.103 8.609 8.360 0.243 0.000 0.453 139 D N -0.631 119.900 120.400 0.219 0.000 2.178 139 D HA -0.243 nan 4.640 nan 0.000 0.201 139 D C 2.093 178.477 176.300 0.141 0.000 0.980 139 D CA 3.140 57.271 54.000 0.218 0.000 0.842 139 D CB -0.316 40.700 40.800 0.361 0.000 0.948 139 D HN -0.006 8.508 8.370 0.240 0.000 0.472 140 K N 0.261 120.740 120.400 0.131 0.000 2.025 140 K HA -0.202 nan 4.320 nan 0.000 0.207 140 K C 1.999 178.660 176.600 0.101 0.000 1.049 140 K CA 3.179 59.531 56.287 0.108 0.000 0.933 140 K CB 0.226 32.794 32.500 0.113 0.000 0.714 140 K HN -0.447 7.784 8.250 0.137 0.101 0.438 141 V N -1.624 118.358 119.914 0.113 0.000 2.427 141 V HA -0.220 nan 4.120 nan 0.000 0.248 141 V C 2.049 178.178 176.094 0.058 0.000 1.051 141 V CA 3.327 65.678 62.300 0.085 0.000 1.048 141 V CB -0.255 31.621 31.823 0.087 0.000 0.666 141 V HN -0.127 8.149 8.190 0.143 0.000 0.456 142 A N -2.944 119.910 122.820 0.057 0.000 2.168 142 A HA -0.081 nan 4.320 nan 0.000 0.215 142 A C 0.072 177.656 177.584 -0.001 0.000 1.152 142 A CA 1.197 53.244 52.037 0.016 0.000 0.716 142 A CB -0.120 18.877 19.000 -0.005 0.000 0.794 142 A HN 0.224 8.314 8.150 0.081 0.109 0.465 143 R N -5.237 115.278 120.500 0.026 0.000 3.776 143 R HA -0.305 nan 4.340 nan 0.000 0.312 143 R C 0.569 176.871 176.300 0.003 0.000 1.181 143 R CA 1.438 57.551 56.100 0.022 0.000 0.836 143 R CB -2.081 28.227 30.300 0.013 0.000 1.324 143 R HN -0.324 7.791 8.270 0.050 0.185 0.501 144 R N -3.365 117.131 120.500 -0.007 0.000 2.397 144 R HA 0.221 nan 4.340 nan 0.000 0.241 144 R C 0.246 176.569 176.300 0.038 0.000 0.914 144 R CA -0.094 55.980 56.100 -0.043 0.000 1.071 144 R CB 0.703 30.900 30.300 -0.171 0.000 1.116 144 R HN 0.080 8.329 8.270 0.014 0.029 0.524 145 G N 0.212 109.075 108.800 0.104 0.000 2.535 145 G HA2 0.063 nan 3.960 nan 0.000 0.303 145 G HA3 0.063 nan 3.960 nan 0.000 0.303 145 G C -1.571 173.422 174.900 0.154 0.000 1.237 145 G CA -0.899 44.309 45.100 0.180 0.000 0.986 145 G HN -0.672 7.627 8.290 0.092 0.046 0.494 146 L N -1.256 120.086 121.223 0.199 0.000 2.325 146 L HA 0.393 nan 4.340 nan 0.000 0.278 146 L C -0.689 176.285 176.870 0.173 0.000 1.023 146 L CA -0.635 54.330 54.840 0.208 0.000 0.811 146 L CB 1.493 43.734 42.059 0.304 0.000 1.249 146 L HN 0.148 8.530 8.230 0.253 0.000 0.431 147 R N 0.463 121.060 120.500 0.161 0.000 2.668 147 R HA 0.532 nan 4.340 nan 0.000 0.279 147 R C 1.712 178.058 176.300 0.076 0.000 0.976 147 R CA -1.231 54.930 56.100 0.102 0.000 0.978 147 R CB 1.708 32.065 30.300 0.095 0.000 1.133 147 R HN 0.748 9.591 8.270 0.188 -0.461 0.484 148 V N 2.887 122.808 119.914 0.012 0.000 2.370 148 V HA -0.404 nan 4.120 nan 0.000 0.252 148 V C 1.730 177.759 176.094 -0.108 0.000 1.068 148 V CA 4.724 66.980 62.300 -0.074 0.000 1.061 148 V CB -0.567 31.215 31.823 -0.069 0.000 0.656 148 V HN 0.520 8.717 8.190 0.012 0.000 0.455 149 G N -3.592 105.228 108.800 0.034 0.000 2.625 149 G HA2 -0.248 nan 3.960 nan 0.000 0.214 149 G HA3 -0.248 nan 3.960 nan 0.000 0.214 149 G C 0.773 175.808 174.900 0.224 0.000 1.132 149 G CA 1.386 46.597 45.100 0.186 0.000 0.782 149 G HN 0.054 8.299 8.290 0.069 0.086 0.538 150 D N 1.715 122.191 120.400 0.126 0.000 2.289 150 D HA 0.002 nan 4.640 nan 0.000 0.207 150 D C 1.718 178.060 176.300 0.070 0.000 0.966 150 D CA 2.096 56.218 54.000 0.203 0.000 0.868 150 D CB 0.035 41.056 40.800 0.369 0.000 0.943 150 D HN -0.103 8.139 8.370 0.090 0.182 0.514 151 L N -1.067 120.016 121.223 -0.233 0.000 2.353 151 L HA -0.325 nan 4.340 nan 0.000 0.220 151 L C 1.291 177.996 176.870 -0.275 0.000 1.133 151 L CA 2.150 56.716 54.840 -0.457 0.000 0.798 151 L CB -0.411 41.298 42.059 -0.583 0.000 0.922 151 L HN -0.553 7.490 8.230 -0.250 0.037 0.445 152 F N -2.923 116.995 119.950 -0.054 0.000 2.075 152 F HA -0.324 nan 4.527 nan 0.000 0.297 152 F C 1.145 176.946 175.800 0.002 0.000 1.113 152 F CA 2.543 60.529 58.000 -0.023 0.000 1.218 152 F CB -0.113 38.885 39.000 -0.004 0.000 0.984 152 F HN -0.980 7.198 8.300 -0.127 0.047 0.472 153 D N -1.398 119.139 120.400 0.229 0.000 2.468 153 D HA 0.070 nan 4.640 nan 0.000 0.218 153 D C 0.259 176.655 176.300 0.161 0.000 1.155 153 D CA -0.974 53.125 54.000 0.165 0.000 0.924 153 D CB -0.516 40.378 40.800 0.158 0.000 1.029 153 D HN -0.514 8.014 8.370 0.263 0.000 0.515 154 K N 4.236 124.708 120.400 0.120 0.000 2.147 154 K HA -0.375 nan 4.320 nan 0.000 0.205 154 K C 1.537 178.244 176.600 0.179 0.000 1.049 154 K CA 3.228 59.593 56.287 0.128 0.000 0.936 154 K CB 0.114 32.655 32.500 0.068 0.000 0.722 154 K HN -0.106 8.203 8.250 0.099 0.000 0.446 155 E N -0.447 119.835 120.200 0.137 0.000 2.015 155 E HA -0.265 nan 4.350 nan 0.000 0.191 155 E C 2.062 178.742 176.600 0.134 0.000 0.991 155 E CA 3.126 59.599 56.400 0.121 0.000 0.802 155 E CB -0.179 29.573 29.700 0.088 0.000 0.759 155 E HN -0.147 8.335 8.360 0.116 -0.053 0.447 156 T N 2.008 116.643 114.554 0.134 0.000 2.849 156 T HA -0.245 nan 4.350 nan 0.000 0.270 156 T C 1.905 176.700 174.700 0.159 0.000 1.066 156 T CA 4.095 66.270 62.100 0.124 0.000 1.130 156 T CB -0.827 68.112 68.868 0.119 0.000 0.864 156 T HN -0.283 8.364 8.240 0.130 -0.330 0.481 157 F N 2.567 122.557 119.950 0.067 0.000 2.146 157 F HA -0.377 nan 4.527 nan 0.000 0.298 157 F C 0.398 176.253 175.800 0.092 0.000 1.096 157 F CA 3.112 61.154 58.000 0.069 0.000 1.275 157 F CB 0.024 39.051 39.000 0.045 0.000 1.008 157 F HN -0.362 7.999 8.300 0.317 0.129 0.480 158 A N -1.941 120.976 122.820 0.160 0.000 1.902 158 A HA -0.356 nan 4.320 nan 0.000 0.217 158 A C 2.161 179.822 177.584 0.129 0.000 1.181 158 A CA 3.325 55.441 52.037 0.132 0.000 0.623 158 A CB -0.929 18.188 19.000 0.194 0.000 0.818 158 A HN -0.231 8.076 8.150 0.262 0.000 0.443 159 E N -1.519 118.723 120.200 0.070 0.000 2.072 159 E HA -0.343 nan 4.350 nan 0.000 0.190 159 E C 2.041 178.625 176.600 -0.026 0.000 0.982 159 E CA 2.866 59.279 56.400 0.022 0.000 0.803 159 E CB -0.544 29.164 29.700 0.014 0.000 0.755 159 E HN -0.384 8.025 8.360 0.081 0.000 0.453 160 K N 0.205 120.575 120.400 -0.050 0.000 2.020 160 K HA -0.365 nan 4.320 nan 0.000 0.212 160 K C 2.580 179.105 176.600 -0.126 0.000 1.050 160 K CA 3.070 59.306 56.287 -0.086 0.000 0.929 160 K CB -0.218 32.228 32.500 -0.090 0.000 0.714 160 K HN -0.377 7.857 8.250 -0.027 0.000 0.443 161 L N -1.477 119.614 121.223 -0.220 0.000 2.043 161 L HA -0.382 nan 4.340 nan 0.000 0.212 161 L C 1.224 178.139 176.870 0.075 0.000 1.075 161 L CA 3.420 58.182 54.840 -0.131 0.000 0.752 161 L CB -0.254 41.660 42.059 -0.242 0.000 0.891 161 L HN 0.058 8.077 8.230 -0.351 0.000 0.432 162 K N -1.084 119.368 120.400 0.087 0.000 2.057 162 K HA -0.423 nan 4.320 nan 0.000 0.207 162 K C 2.219 178.723 176.600 -0.160 0.000 1.049 162 K CA 3.657 59.818 56.287 -0.209 0.000 0.931 162 K CB -0.304 31.942 32.500 -0.423 0.000 0.714 162 K HN -0.538 7.696 8.250 0.121 0.088 0.440 163 E N -0.842 119.288 120.200 -0.116 0.000 2.085 163 E HA -0.330 nan 4.350 nan 0.000 0.194 163 E C 2.652 179.184 176.600 -0.114 0.000 0.994 163 E CA 3.372 59.709 56.400 -0.106 0.000 0.801 163 E CB 0.069 29.716 29.700 -0.088 0.000 0.743 163 E HN -0.208 8.094 8.360 -0.096 0.000 0.453 164 V N -0.215 119.623 119.914 -0.126 0.000 2.649 164 V HA -0.219 nan 4.120 nan 0.000 0.248 164 V C 2.034 177.978 176.094 -0.249 0.000 1.054 164 V CA 3.968 66.166 62.300 -0.169 0.000 1.073 164 V CB -0.654 31.112 31.823 -0.095 0.000 0.699 164 V HN -0.278 7.847 8.190 -0.108 0.000 0.463 165 M N -0.961 118.481 119.600 -0.264 0.000 2.374 165 M HA -0.419 nan 4.480 nan 0.000 0.264 165 M C 2.089 178.307 176.300 -0.136 0.000 1.067 165 M CA 4.317 59.436 55.300 -0.303 0.000 1.103 165 M CB -0.413 32.101 32.600 -0.144 0.000 1.402 165 M HN 0.519 8.591 8.290 -0.182 0.109 0.444 166 E N -0.005 120.130 120.200 -0.108 0.000 2.072 166 E HA -0.341 nan 4.350 nan 0.000 0.190 166 E C 2.098 178.685 176.600 -0.023 0.000 0.982 166 E CA 2.894 59.260 56.400 -0.057 0.000 0.803 166 E CB -0.211 29.447 29.700 -0.071 0.000 0.755 166 E HN -0.072 8.199 8.360 -0.126 0.014 0.453 167 Y N 0.641 120.815 120.300 -0.210 0.000 2.128 167 Y HA -0.493 nan 4.550 nan 0.000 0.284 167 Y C 2.140 177.913 175.900 -0.212 0.000 1.154 167 Y CA 3.736 61.677 58.100 -0.264 0.000 1.149 167 Y CB 0.150 38.374 38.460 -0.394 0.000 0.976 167 Y HN -0.781 7.492 8.280 -0.012 0.000 0.505 168 H N -2.936 116.149 119.070 0.025 0.000 2.403 168 H HA -0.182 nan 4.556 nan 0.000 0.298 168 H C 2.689 178.021 175.328 0.008 0.000 1.059 168 H CA 3.388 59.427 56.048 -0.016 0.000 1.363 168 H CB -0.173 29.590 29.762 0.001 0.000 1.410 168 H HN -0.395 7.773 8.280 -0.187 0.000 0.528 169 N N 0.351 119.111 118.700 0.101 0.000 2.166 169 N HA -0.309 nan 4.740 nan 0.000 0.186 169 N C 1.859 177.426 175.510 0.095 0.000 1.019 169 N CA 3.381 56.487 53.050 0.093 0.000 0.856 169 N CB -0.427 38.093 38.487 0.056 0.000 0.993 169 N HN -0.269 8.139 8.380 0.047 0.000 0.426 170 F N 1.250 121.160 119.950 -0.067 0.000 2.065 170 F HA -0.472 nan 4.527 nan 0.000 0.298 170 F C 1.417 177.180 175.800 -0.061 0.000 1.112 170 F CA 4.203 62.152 58.000 -0.084 0.000 1.212 170 F CB 0.099 39.007 39.000 -0.154 0.000 0.975 170 F HN -0.415 7.993 8.300 0.179 0.000 0.476 171 Q N -0.570 119.349 119.800 0.198 0.000 2.030 171 Q HA -0.432 nan 4.340 nan 0.000 0.204 171 Q C 2.464 178.603 176.000 0.231 0.000 0.986 171 Q CA 3.544 59.440 55.803 0.154 0.000 0.843 171 Q CB -0.083 28.727 28.738 0.120 0.000 0.904 171 Q HN -0.735 7.624 8.270 0.147 0.000 0.420 172 L N -1.463 119.923 121.223 0.271 0.000 1.989 172 L HA -0.445 nan 4.340 nan 0.000 0.211 172 L C 2.584 179.564 176.870 0.184 0.000 1.071 172 L CA 3.263 58.290 54.840 0.313 0.000 0.749 172 L CB -0.142 42.029 42.059 0.187 0.000 0.890 172 L HN 0.300 8.663 8.230 0.222 0.000 0.431 173 V N -0.859 119.085 119.914 0.051 0.000 2.229 173 V HA -0.456 nan 4.120 nan 0.000 0.243 173 V C 2.578 178.615 176.094 -0.095 0.000 1.042 173 V CA 4.494 66.775 62.300 -0.031 0.000 1.000 173 V CB -0.640 31.129 31.823 -0.089 0.000 0.637 173 V HN 0.477 8.691 8.190 0.041 0.000 0.446 174 N N -0.922 117.644 118.700 -0.224 0.000 2.171 174 N HA -0.246 nan 4.740 nan 0.000 0.184 174 N C 1.721 177.161 175.510 -0.118 0.000 1.021 174 N CA 3.351 56.239 53.050 -0.269 0.000 0.854 174 N CB 0.077 38.195 38.487 -0.614 0.000 0.994 174 N HN 0.303 8.403 8.380 -0.291 0.105 0.426 175 Y N 1.170 121.324 120.300 -0.244 0.000 2.262 175 Y HA -0.209 nan 4.550 nan 0.000 0.295 175 Y C 2.807 178.496 175.900 -0.352 0.000 1.121 175 Y CA 4.119 62.024 58.100 -0.325 0.000 1.144 175 Y CB 0.999 39.172 38.460 -0.479 0.000 1.043 175 Y HN -0.354 7.926 8.280 -0.000 0.000 0.528 176 Y N -4.023 116.302 120.300 0.042 0.000 2.517 176 Y HA -0.165 nan 4.550 nan 0.000 0.281 176 Y C -0.734 175.125 175.900 -0.068 0.000 1.125 176 Y CA 1.322 59.394 58.100 -0.047 0.000 1.283 176 Y CB 0.366 38.853 38.460 0.045 0.000 1.042 176 Y HN -0.600 7.695 8.280 0.025 0.000 0.547 177 K N -3.019 117.409 120.400 0.045 0.000 3.619 177 K HA -0.298 nan 4.320 nan 0.000 0.275 177 K C -1.367 175.259 176.600 0.045 0.000 0.993 177 K CA 0.528 56.819 56.287 0.008 0.000 0.787 177 K CB -2.634 29.847 32.500 -0.032 0.000 1.431 177 K HN -0.346 7.803 8.250 0.028 0.118 0.451 178 A N -1.643 121.220 122.820 0.071 0.000 2.527 178 A HA 0.278 nan 4.320 nan 0.000 0.293 178 A C -1.790 175.821 177.584 0.046 0.000 1.117 178 A CA -0.957 51.117 52.037 0.062 0.000 0.723 178 A CB 2.471 21.523 19.000 0.086 0.000 1.313 178 A HN -0.399 7.702 8.150 0.081 0.097 0.411 179 E N 0.478 120.699 120.200 0.034 0.000 2.452 179 E HA -0.181 nan 4.350 nan 0.000 0.261 179 E C -0.795 175.833 176.600 0.046 0.000 0.987 179 E CA -0.030 56.389 56.400 0.032 0.000 0.926 179 E CB 0.063 29.779 29.700 0.027 0.000 0.934 179 E HN 0.024 8.401 8.360 0.029 0.000 0.452 180 A N 2.960 125.806 122.820 0.044 0.000 2.280 180 A HA 0.207 nan 4.320 nan 0.000 0.268 180 A C -1.070 176.555 177.584 0.068 0.000 1.111 180 A CA -0.356 51.715 52.037 0.057 0.000 0.814 180 A CB 1.397 20.424 19.000 0.044 0.000 1.093 180 A HN 0.129 8.299 8.150 0.033 0.000 0.498 181 V N -0.237 119.730 119.914 0.089 0.000 2.417 181 V HA 0.031 nan 4.120 nan 0.000 0.291 181 V C -0.870 175.293 176.094 0.116 0.000 1.024 181 V CA -0.743 61.622 62.300 0.108 0.000 0.861 181 V CB 1.080 32.997 31.823 0.157 0.000 0.985 181 V HN 0.516 9.255 8.190 0.090 -0.495 0.436 182 D N 7.200 127.662 120.400 0.104 0.000 2.412 182 D HA -0.111 nan 4.640 nan 0.000 0.257 182 D C 0.160 176.551 176.300 0.152 0.000 1.217 182 D CA 0.584 54.652 54.000 0.115 0.000 0.897 182 D CB 1.515 42.363 40.800 0.081 0.000 1.132 182 D HN 0.204 8.626 8.370 0.087 0.000 0.493 183 Y N 9.253 129.576 120.300 0.038 0.000 2.163 183 Y HA -0.502 nan 4.550 nan 0.000 0.288 183 Y C 1.247 177.175 175.900 0.047 0.000 1.136 183 Y CA 4.187 62.309 58.100 0.036 0.000 1.147 183 Y CB 0.246 38.708 38.460 0.004 0.000 0.987 183 Y HN 0.246 8.692 8.280 0.276 0.000 0.509 184 Q N -0.562 119.317 119.800 0.131 0.000 2.096 184 Q HA -0.464 nan 4.340 nan 0.000 0.208 184 Q C 2.247 178.194 176.000 -0.089 0.000 0.993 184 Q CA 3.238 59.033 55.803 -0.012 0.000 0.862 184 Q CB -0.953 27.845 28.738 0.100 0.000 0.915 184 Q HN 0.100 8.591 8.270 0.334 -0.021 0.416 185 K N -0.616 119.772 120.400 -0.020 0.000 1.991 185 K HA -0.371 nan 4.320 nan 0.000 0.212 185 K C 1.969 178.549 176.600 -0.033 0.000 1.049 185 K CA 3.636 59.916 56.287 -0.012 0.000 0.932 185 K CB -0.016 32.496 32.500 0.021 0.000 0.717 185 K HN 0.023 8.718 8.250 0.027 -0.429 0.441 186 V N 0.052 119.950 119.914 -0.027 0.000 2.324 186 V HA -0.406 nan 4.120 nan 0.000 0.250 186 V C 2.425 178.497 176.094 -0.037 0.000 1.060 186 V CA 3.929 66.230 62.300 0.001 0.000 1.042 186 V CB -0.950 30.922 31.823 0.081 0.000 0.650 186 V HN -0.561 7.626 8.190 -0.004 0.000 0.450 187 L N -0.688 120.413 121.223 -0.203 0.000 1.989 187 L HA -0.465 nan 4.340 nan 0.000 0.211 187 L C 1.422 178.262 176.870 -0.051 0.000 1.071 187 L CA 3.680 58.410 54.840 -0.184 0.000 0.749 187 L CB -0.558 41.194 42.059 -0.512 0.000 0.890 187 L HN 0.234 8.252 8.230 -0.352 0.001 0.431 188 D N -1.087 119.272 120.400 -0.068 0.000 2.123 188 D HA -0.362 nan 4.640 nan 0.000 0.196 188 D C 2.718 179.008 176.300 -0.016 0.000 0.992 188 D CA 3.612 57.596 54.000 -0.027 0.000 0.833 188 D CB -0.739 40.049 40.800 -0.021 0.000 0.954 188 D HN 0.362 8.557 8.370 -0.106 0.112 0.455 189 D N -0.769 119.623 120.400 -0.012 0.000 2.144 189 D HA -0.154 nan 4.640 nan 0.000 0.199 189 D C 2.182 178.473 176.300 -0.015 0.000 0.984 189 D CA 3.231 57.226 54.000 -0.010 0.000 0.834 189 D CB 0.119 40.918 40.800 -0.003 0.000 0.955 189 D HN 0.452 8.630 8.370 -0.017 0.182 0.465 190 T N 1.030 115.588 114.554 0.006 0.000 2.978 190 T HA -0.001 nan 4.350 nan 0.000 0.262 190 T C 2.411 177.053 174.700 -0.097 0.000 1.063 190 T CA 3.318 65.401 62.100 -0.029 0.000 1.140 190 T CB 0.016 68.928 68.868 0.074 0.000 0.886 190 T HN -0.137 8.124 8.240 0.035 0.000 0.470 191 M N 1.103 120.672 119.600 -0.052 0.000 2.175 191 M HA -0.174 nan 4.480 nan 0.000 0.264 191 M C 2.167 178.427 176.300 -0.067 0.000 1.063 191 M CA 1.633 56.892 55.300 -0.069 0.000 1.119 191 M CB -1.655 30.933 32.600 -0.020 0.000 1.377 191 M HN 0.182 8.469 8.290 -0.005 0.000 0.415 192 A N -1.673 121.118 122.820 -0.049 0.000 1.986 192 A HA -0.121 nan 4.320 nan 0.000 0.220 192 A C 0.851 178.400 177.584 -0.058 0.000 1.171 192 A CA 2.763 54.774 52.037 -0.043 0.000 0.640 192 A CB -0.123 18.858 19.000 -0.032 0.000 0.811 192 A HN -0.303 7.811 8.150 -0.039 0.012 0.451 193 V N -10.075 109.791 119.914 -0.080 0.000 3.253 193 V HA 0.440 nan 4.120 nan 0.000 0.320 193 V C 0.727 176.741 176.094 -0.132 0.000 1.442 193 V CA -2.142 60.103 62.300 -0.091 0.000 1.097 193 V CB -1.085 30.688 31.823 -0.083 0.000 1.008 193 V HN -0.754 7.259 8.190 -0.087 0.125 0.463 194 A N 2.325 125.046 122.820 -0.166 0.000 1.877 194 A HA -0.335 nan 4.320 nan 0.000 0.216 194 A C 1.015 178.474 177.584 -0.208 0.000 1.186 194 A CA 3.898 55.793 52.037 -0.237 0.000 0.620 194 A CB -0.429 18.405 19.000 -0.276 0.000 0.822 194 A HN -0.474 7.478 8.150 -0.146 0.111 0.443 195 D N -1.858 118.458 120.400 -0.140 0.000 2.117 195 D HA -0.284 nan 4.640 nan 0.000 0.197 195 D C 2.307 178.552 176.300 -0.092 0.000 0.987 195 D CA 3.353 57.292 54.000 -0.101 0.000 0.829 195 D CB -0.609 40.155 40.800 -0.059 0.000 0.961 195 D HN 0.222 8.518 8.370 -0.122 0.000 0.460 196 I N -0.505 120.012 120.570 -0.088 0.000 2.208 196 I HA -0.400 nan 4.170 nan 0.000 0.245 196 I C 1.769 177.832 176.117 -0.089 0.000 1.097 196 I CA 3.316 64.573 61.300 -0.072 0.000 1.363 196 I CB 0.071 38.032 38.000 -0.066 0.000 1.051 196 I HN -0.396 7.761 8.210 -0.088 0.000 0.413 197 L N -2.290 118.855 121.223 -0.130 0.000 1.973 197 L HA -0.420 nan 4.340 nan 0.000 0.208 197 L C 2.539 179.306 176.870 -0.171 0.000 1.073 197 L CA 3.195 57.945 54.840 -0.150 0.000 0.746 197 L CB -0.593 41.351 42.059 -0.193 0.000 0.891 197 L HN -0.473 7.591 8.230 -0.144 0.079 0.433 198 T N -4.221 110.169 114.554 -0.273 0.000 2.869 198 T HA -0.324 nan 4.350 nan 0.000 0.270 198 T C 2.669 177.337 174.700 -0.052 0.000 1.082 198 T CA 3.504 65.399 62.100 -0.340 0.000 1.123 198 T CB -0.732 67.774 68.868 -0.602 0.000 0.856 198 T HN 0.322 8.384 8.240 -0.297 0.000 0.499 199 S N 2.982 118.661 115.700 -0.035 0.000 2.436 199 S HA -0.127 nan 4.470 nan 0.000 0.228 199 S C 1.005 175.618 174.600 0.023 0.000 1.014 199 S CA 2.746 60.957 58.200 0.018 0.000 0.950 199 S CB -0.308 62.893 63.200 0.002 0.000 0.784 199 S HN -0.371 7.844 8.310 -0.072 0.052 0.504 200 M N -0.249 119.350 119.600 -0.001 0.000 2.558 200 M HA -0.023 nan 4.480 nan 0.000 0.255 200 M C -0.536 175.781 176.300 0.027 0.000 1.113 200 M CA 0.449 55.754 55.300 0.007 0.000 1.097 200 M CB 0.593 33.186 32.600 -0.011 0.000 1.426 200 M HN -0.376 7.773 8.290 -0.028 0.125 0.488 201 V N 0.331 120.273 119.914 0.047 0.000 2.763 201 V HA 0.031 nan 4.120 nan 0.000 0.306 201 V C -0.514 175.636 176.094 0.093 0.000 1.059 201 V CA 1.902 64.257 62.300 0.091 0.000 1.138 201 V CB -0.170 31.773 31.823 0.200 0.000 0.940 201 V HN -0.952 7.090 8.190 0.038 0.170 0.489 202 V N 5.174 125.132 119.914 0.074 0.000 3.178 202 V HA 0.250 nan 4.120 nan 0.000 0.302 202 V C -2.098 174.021 176.094 0.043 0.000 1.262 202 V CA -1.496 60.834 62.300 0.050 0.000 1.030 202 V CB 4.672 36.513 31.823 0.030 0.000 1.074 202 V HN -0.047 8.187 8.190 0.073 0.000 0.438 203 D N 3.818 124.234 120.400 0.027 0.000 2.344 203 D HA 0.035 nan 4.640 nan 0.000 0.253 203 D C 0.683 176.990 176.300 0.012 0.000 1.255 203 D CA 0.421 54.434 54.000 0.023 0.000 0.894 203 D CB 0.016 40.823 40.800 0.012 0.000 1.067 203 D HN 0.022 8.403 8.370 0.020 0.000 0.492 204 V N 5.188 125.117 119.914 0.024 0.000 2.323 204 V HA -0.288 nan 4.120 nan 0.000 0.244 204 V C 1.396 177.501 176.094 0.018 0.000 1.041 204 V CA 3.227 65.537 62.300 0.016 0.000 1.025 204 V CB -0.132 31.718 31.823 0.046 0.000 0.656 204 V HN 0.203 8.416 8.190 0.039 0.000 0.451 205 S N -1.801 113.923 115.700 0.041 0.000 2.447 205 S HA -0.307 nan 4.470 nan 0.000 0.233 205 S C 1.593 176.210 174.600 0.028 0.000 1.006 205 S CA 3.589 61.820 58.200 0.051 0.000 0.957 205 S CB -0.476 62.762 63.200 0.062 0.000 0.773 205 S HN 0.178 8.516 8.310 0.046 0.000 0.507 206 D N 1.767 122.174 120.400 0.011 0.000 2.194 206 D HA -0.114 nan 4.640 nan 0.000 0.204 206 D C 1.468 177.751 176.300 -0.029 0.000 0.964 206 D CA 2.345 56.344 54.000 -0.002 0.000 0.846 206 D CB 0.284 41.084 40.800 0.000 0.000 0.962 206 D HN -0.708 7.833 8.370 0.014 -0.163 0.490 207 L N 0.454 121.646 121.223 -0.051 0.000 2.072 207 L HA -0.121 nan 4.340 nan 0.000 0.205 207 L C 1.214 177.986 176.870 -0.164 0.000 1.079 207 L CA 2.924 57.698 54.840 -0.110 0.000 0.752 207 L CB -0.002 41.974 42.059 -0.138 0.000 0.906 207 L HN -0.686 7.419 8.230 -0.037 0.103 0.436 208 L N -3.132 118.022 121.223 -0.115 0.000 2.291 208 L HA -0.369 nan 4.340 nan 0.000 0.214 208 L C 2.280 179.131 176.870 -0.032 0.000 1.120 208 L CA 2.835 57.628 54.840 -0.079 0.000 0.799 208 L CB -0.980 41.115 42.059 0.059 0.000 0.925 208 L HN 0.156 8.344 8.230 -0.069 0.000 0.446 209 D N -0.619 119.763 120.400 -0.030 0.000 2.162 209 D HA -0.156 nan 4.640 nan 0.000 0.203 209 D C 2.011 178.272 176.300 -0.066 0.000 0.967 209 D CA 3.108 57.077 54.000 -0.052 0.000 0.840 209 D CB 0.280 41.066 40.800 -0.024 0.000 0.972 209 D HN -0.518 7.716 8.370 -0.024 0.121 0.482 210 Q N -0.286 119.482 119.800 -0.053 0.000 2.046 210 Q HA -0.312 nan 4.340 nan 0.000 0.200 210 Q C 2.305 178.288 176.000 -0.028 0.000 0.975 210 Q CA 2.912 58.691 55.803 -0.040 0.000 0.836 210 Q CB 0.051 28.770 28.738 -0.032 0.000 0.896 210 Q HN -0.604 7.633 8.270 -0.054 0.000 0.428 211 A N -0.692 122.108 122.820 -0.033 0.000 1.917 211 A HA -0.345 nan 4.320 nan 0.000 0.219 211 A C 1.806 179.405 177.584 0.026 0.000 1.182 211 A CA 3.129 55.186 52.037 0.032 0.000 0.633 211 A CB -0.866 18.133 19.000 -0.002 0.000 0.819 211 A HN 0.022 8.124 8.150 -0.080 0.000 0.448 212 R N -3.376 117.115 120.500 -0.015 0.000 2.152 212 R HA -0.239 nan 4.340 nan 0.000 0.232 212 R C 2.243 178.504 176.300 -0.065 0.000 1.117 212 R CA 2.819 58.892 56.100 -0.045 0.000 0.981 212 R CB -0.132 30.075 30.300 -0.155 0.000 0.870 212 R HN -0.509 7.651 8.270 -0.036 0.089 0.451 213 Q N -2.393 117.370 119.800 -0.062 0.000 2.163 213 Q HA -0.112 nan 4.340 nan 0.000 0.198 213 Q C 1.407 177.388 176.000 -0.032 0.000 0.954 213 Q CA 2.327 58.098 55.803 -0.054 0.000 0.851 213 Q CB 0.648 29.355 28.738 -0.051 0.000 0.928 213 Q HN -0.476 7.599 8.270 -0.056 0.161 0.459 214 R N -2.807 117.679 120.500 -0.022 0.000 2.335 214 R HA 0.142 nan 4.340 nan 0.000 0.223 214 R C 0.838 177.117 176.300 -0.034 0.000 0.940 214 R CA -0.172 55.913 56.100 -0.025 0.000 1.086 214 R CB -0.477 29.812 30.300 -0.019 0.000 1.073 214 R HN -0.186 8.074 8.270 -0.017 0.000 0.504 215 G N -1.373 107.416 108.800 -0.019 0.000 2.179 215 G HA2 -0.471 nan 3.960 nan 0.000 0.257 215 G HA3 -0.471 nan 3.960 nan 0.000 0.257 215 G C -0.474 174.394 174.900 -0.053 0.000 1.010 215 G CA 0.206 45.296 45.100 -0.017 0.000 0.736 215 G HN -0.075 8.023 8.290 -0.011 0.186 0.513 216 D N 0.227 120.616 120.400 -0.018 0.000 2.362 216 D HA -0.045 nan 4.640 nan 0.000 0.242 216 D C -0.634 175.735 176.300 0.116 0.000 1.132 216 D CA 0.674 54.648 54.000 -0.045 0.000 0.907 216 D CB 0.855 41.716 40.800 0.101 0.000 1.195 216 D HN -0.538 7.847 8.370 0.025 0.000 0.429 217 F N 0.492 120.375 119.950 -0.112 0.000 2.438 217 F HA 0.054 nan 4.527 nan 0.000 0.360 217 F C -0.161 175.643 175.800 0.006 0.000 1.118 217 F CA -1.451 56.424 58.000 -0.208 0.000 1.164 217 F CB -0.050 38.457 39.000 -0.823 0.000 1.131 217 F HN 0.157 8.326 8.300 -0.217 0.000 0.527 218 V N 6.878 127.025 119.914 0.388 0.000 2.378 218 V HA 0.533 nan 4.120 nan 0.000 0.288 218 V C -1.890 174.330 176.094 0.211 0.000 1.016 218 V CA -1.359 61.068 62.300 0.211 0.000 0.840 218 V CB 1.785 33.658 31.823 0.082 0.000 0.994 218 V HN 1.368 9.743 8.190 0.504 0.117 0.431 219 M N 7.382 127.052 119.600 0.117 0.000 2.088 219 M HA 0.645 nan 4.480 nan 0.000 0.346 219 M C -1.873 174.394 176.300 -0.055 0.000 1.111 219 M CA -1.405 53.973 55.300 0.131 0.000 1.017 219 M CB 2.426 35.142 32.600 0.193 0.000 1.568 219 M HN 0.927 9.162 8.290 0.083 0.105 0.445 220 F N 6.682 126.732 119.950 0.166 0.000 2.411 220 F HA 0.428 nan 4.527 nan 0.000 0.355 220 F C -1.772 174.185 175.800 0.261 0.000 1.117 220 F CA -0.642 57.484 58.000 0.211 0.000 1.139 220 F CB 0.633 39.698 39.000 0.108 0.000 1.120 220 F HN 1.401 9.829 8.300 0.433 0.131 0.493 221 E N 5.493 125.938 120.200 0.408 0.000 2.134 221 E HA 0.523 nan 4.350 nan 0.000 0.278 221 E C -0.460 176.266 176.600 0.209 0.000 0.959 221 E CA -1.744 54.816 56.400 0.265 0.000 0.783 221 E CB 2.756 32.538 29.700 0.137 0.000 1.095 221 E HN 0.817 9.294 8.360 0.386 0.114 0.399 222 G N 3.405 112.327 108.800 0.203 0.000 2.476 222 G HA2 0.387 nan 3.960 nan 0.000 0.269 222 G HA3 0.387 nan 3.960 nan 0.000 0.269 222 G C -1.810 173.098 174.900 0.013 0.000 1.195 222 G CA -0.704 44.443 45.100 0.078 0.000 0.843 222 G HN 0.493 8.918 8.290 0.225 0.000 0.545 223 A N 1.584 124.379 122.820 -0.042 0.000 2.055 223 A HA 0.308 nan 4.320 nan 0.000 0.205 223 A C 0.396 177.995 177.584 0.025 0.000 1.235 223 A CA 0.556 52.593 52.037 -0.000 0.000 0.822 223 A CB 1.381 20.371 19.000 -0.017 0.000 0.903 223 A HN 1.045 9.588 8.150 -0.100 -0.453 0.473 224 Q N -1.465 118.348 119.800 0.021 0.000 2.823 224 Q HA 0.238 nan 4.340 nan 0.000 0.230 224 Q C -0.817 175.204 176.000 0.034 0.000 1.026 224 Q CA -1.500 54.323 55.803 0.033 0.000 0.940 224 Q CB 2.685 31.444 28.738 0.035 0.000 1.382 224 Q HN -0.828 7.596 8.270 0.009 -0.149 0.502 225 G N -2.987 105.834 108.800 0.035 0.000 2.448 225 G HA2 0.178 nan 3.960 nan 0.000 0.285 225 G HA3 0.178 nan 3.960 nan 0.000 0.285 225 G C 0.415 175.310 174.900 -0.009 0.000 1.176 225 G CA -0.515 44.590 45.100 0.009 0.000 0.852 225 G HN 0.198 8.516 8.290 0.047 0.000 0.530 226 T N 5.443 119.967 114.554 -0.050 0.000 2.746 226 T HA -0.222 nan 4.350 nan 0.000 0.267 226 T C 2.362 177.031 174.700 -0.053 0.000 1.039 226 T CA 4.267 66.344 62.100 -0.039 0.000 1.142 226 T CB -0.035 68.802 68.868 -0.051 0.000 0.866 226 T HN 0.051 8.249 8.240 -0.069 0.000 0.444 227 L N -0.090 121.033 121.223 -0.167 0.000 2.650 227 L HA -0.086 nan 4.340 nan 0.000 0.235 227 L C -0.131 176.771 176.870 0.053 0.000 1.149 227 L CA 1.512 56.263 54.840 -0.147 0.000 0.887 227 L CB -0.608 41.143 42.059 -0.513 0.000 1.021 227 L HN 0.261 8.326 8.230 -0.275 0.000 0.441 228 L N -3.104 118.162 121.223 0.070 0.000 2.693 228 L HA 0.063 nan 4.340 nan 0.000 0.235 228 L C -0.451 176.467 176.870 0.081 0.000 1.127 228 L CA -1.218 53.688 54.840 0.110 0.000 0.914 228 L CB 0.163 42.283 42.059 0.102 0.000 1.193 228 L HN -0.647 7.406 8.230 0.027 0.193 0.502 229 D N 0.863 121.306 120.400 0.073 0.000 2.583 229 D HA -0.265 nan 4.640 nan 0.000 0.232 229 D C 0.952 177.295 176.300 0.072 0.000 1.128 229 D CA 1.569 55.613 54.000 0.073 0.000 0.859 229 D CB 0.985 41.849 40.800 0.106 0.000 1.169 229 D HN -0.521 7.725 8.370 0.063 0.162 0.481 230 I N 6.579 127.172 120.570 0.038 0.000 2.194 230 I HA -0.460 nan 4.170 nan 0.000 0.246 230 I C -0.107 176.022 176.117 0.020 0.000 1.093 230 I CA 2.950 64.272 61.300 0.037 0.000 1.355 230 I CB 0.387 38.373 38.000 -0.022 0.000 1.046 230 I HN 0.062 8.283 8.210 0.018 0.000 0.413 231 D N -2.286 118.080 120.400 -0.056 0.000 2.197 231 D HA -0.012 nan 4.640 nan 0.000 0.212 231 D C 1.267 177.360 176.300 -0.344 0.000 0.963 231 D CA 2.479 56.333 54.000 -0.243 0.000 0.864 231 D CB 0.546 41.144 40.800 -0.337 0.000 1.009 231 D HN -0.395 8.088 8.370 -0.020 -0.125 0.479 232 H N -2.046 117.043 119.070 0.032 0.000 2.586 232 H HA 0.165 nan 4.556 nan 0.000 0.273 232 H C 0.732 176.107 175.328 0.080 0.000 0.997 232 H CA 0.139 56.217 56.048 0.049 0.000 1.177 232 H CB 1.085 30.866 29.762 0.032 0.000 1.471 232 H HN 0.179 8.971 8.280 0.070 -0.470 0.538 233 G N -0.345 108.551 108.800 0.161 0.000 2.553 233 G HA2 0.145 nan 3.960 nan 0.000 0.278 233 G HA3 0.145 nan 3.960 nan 0.000 0.278 233 G C -0.054 174.941 174.900 0.157 0.000 1.349 233 G CA -0.517 44.671 45.100 0.146 0.000 1.037 233 G HN -0.249 8.025 8.290 0.130 0.093 0.508 234 T N 0.061 114.685 114.554 0.116 0.000 4.029 234 T HA -0.006 nan 4.350 nan 0.000 0.226 234 T C -0.316 174.448 174.700 0.105 0.000 0.838 234 T CA -1.165 60.931 62.100 -0.006 0.000 0.907 234 T CB -2.384 66.409 68.868 -0.126 0.000 1.296 234 T HN -0.129 8.199 8.240 0.146 0.000 0.711 235 Y N 5.709 126.028 120.300 0.031 0.000 2.993 235 Y HA -0.378 nan 4.550 nan 0.000 0.340 235 Y C -1.957 173.961 175.900 0.031 0.000 1.273 235 Y CA 0.021 58.129 58.100 0.013 0.000 1.545 235 Y CB 0.478 38.942 38.460 0.007 0.000 1.275 235 Y HN -0.160 8.186 8.280 0.281 0.102 0.617 236 P HA -0.075 nan 4.420 nan 0.000 0.241 236 P C -0.958 175.905 177.300 -0.728 0.000 1.191 236 P CA 1.133 63.488 63.100 -1.242 0.000 0.771 236 P CB 0.612 31.650 31.700 -1.103 0.000 0.929 237 Y N 0.338 120.488 120.300 -0.250 0.000 2.734 237 Y HA -0.018 nan 4.550 nan 0.000 0.353 237 Y C -1.561 174.284 175.900 -0.092 0.000 1.244 237 Y CA 0.572 58.576 58.100 -0.159 0.000 1.950 237 Y CB -2.687 35.676 38.460 -0.162 0.000 2.028 237 Y HN -0.597 7.534 8.280 -0.122 0.075 0.421 238 V N 0.831 120.729 119.914 -0.027 0.000 3.074 238 V HA 0.431 nan 4.120 nan 0.000 0.314 238 V C -0.400 175.703 176.094 0.014 0.000 1.117 238 V CA -1.570 60.748 62.300 0.030 0.000 1.014 238 V CB 4.220 36.079 31.823 0.060 0.000 1.057 238 V HN -0.064 7.994 8.190 -0.140 0.048 0.438 239 T N 4.746 119.320 114.554 0.033 0.000 2.867 239 T HA 0.390 nan 4.350 nan 0.000 0.286 239 T C -0.134 174.574 174.700 0.012 0.000 1.022 239 T CA -0.756 61.358 62.100 0.022 0.000 0.933 239 T CB 1.162 70.048 68.868 0.031 0.000 1.280 239 T HN 0.273 8.542 8.240 0.049 0.000 0.566 240 S N 0.666 116.377 115.700 0.018 0.000 2.338 240 S HA -0.119 nan 4.470 nan 0.000 0.218 240 S C -0.350 174.185 174.600 -0.108 0.000 1.032 240 S CA 2.044 60.249 58.200 0.009 0.000 0.999 240 S CB -0.025 63.241 63.200 0.109 0.000 0.905 240 S HN 0.451 8.780 8.310 0.032 0.000 0.439 241 S N 0.848 116.466 115.700 -0.137 0.000 2.718 241 S HA 0.144 nan 4.470 nan 0.000 0.292 241 S C -1.235 173.299 174.600 -0.111 0.000 1.125 241 S CA -0.897 57.133 58.200 -0.283 0.000 1.013 241 S CB 1.390 64.400 63.200 -0.318 0.000 1.192 241 S HN -0.632 7.656 8.310 -0.036 0.000 0.535 242 N N -0.161 118.483 118.700 -0.092 0.000 2.518 242 N HA 0.003 nan 4.740 nan 0.000 0.266 242 N C -0.101 175.436 175.510 0.045 0.000 1.196 242 N CA 1.061 54.113 53.050 0.003 0.000 0.947 242 N CB 0.465 38.970 38.487 0.029 0.000 1.098 242 N HN 0.118 8.407 8.380 -0.152 0.000 0.450 243 T N -2.815 111.779 114.554 0.066 0.000 3.043 243 T HA 0.207 nan 4.350 nan 0.000 0.272 243 T C 0.404 175.166 174.700 0.103 0.000 0.990 243 T CA -0.716 61.429 62.100 0.075 0.000 0.897 243 T CB 1.427 70.325 68.868 0.050 0.000 1.111 243 T HN 0.462 9.087 8.240 0.070 -0.344 0.529 244 T N -1.136 113.479 114.554 0.100 0.000 2.902 244 T HA 0.420 nan 4.350 nan 0.000 0.280 244 T C 0.671 175.418 174.700 0.078 0.000 0.992 244 T CA -2.294 59.848 62.100 0.070 0.000 1.015 244 T CB 2.155 71.041 68.868 0.030 0.000 1.044 244 T HN -0.808 7.655 8.240 0.101 -0.163 0.520 245 A N 0.838 123.665 122.820 0.011 0.000 2.186 245 A HA -0.180 nan 4.320 nan 0.000 0.219 245 A C 2.067 179.572 177.584 -0.133 0.000 1.159 245 A CA 2.562 54.558 52.037 -0.068 0.000 0.680 245 A CB -0.561 18.376 19.000 -0.105 0.000 0.787 245 A HN 1.034 9.688 8.150 -0.006 -0.508 0.467 246 G N -1.469 107.287 108.800 -0.073 0.000 2.462 246 G HA2 -0.318 nan 3.960 nan 0.000 0.220 246 G HA3 -0.318 nan 3.960 nan 0.000 0.220 246 G C 1.010 175.864 174.900 -0.075 0.000 1.121 246 G CA 1.527 46.579 45.100 -0.079 0.000 0.758 246 G HN -0.528 7.684 8.290 -0.040 0.055 0.559 247 G N -0.817 107.975 108.800 -0.014 0.000 2.744 247 G HA2 -0.044 nan 3.960 nan 0.000 0.211 247 G HA3 -0.044 nan 3.960 nan 0.000 0.211 247 G C 0.986 175.828 174.900 -0.096 0.000 1.143 247 G CA 0.435 45.568 45.100 0.055 0.000 0.788 247 G HN -0.398 7.888 8.290 0.041 0.028 0.534 248 V N 2.404 121.981 119.914 -0.562 0.000 2.332 248 V HA -0.445 nan 4.120 nan 0.000 0.248 248 V C 1.687 177.541 176.094 -0.400 0.000 1.055 248 V CA 3.905 65.671 62.300 -0.890 0.000 1.038 248 V CB -0.924 30.258 31.823 -1.068 0.000 0.651 248 V HN -0.423 7.417 8.190 -0.510 0.044 0.450 249 A N -2.283 120.366 122.820 -0.285 0.000 1.841 249 A HA -0.327 nan 4.320 nan 0.000 0.214 249 A C 1.839 179.387 177.584 -0.060 0.000 1.195 249 A CA 3.624 55.563 52.037 -0.163 0.000 0.611 249 A CB -0.718 18.192 19.000 -0.150 0.000 0.835 249 A HN 0.045 8.014 8.150 -0.302 0.000 0.443 250 T N -4.149 110.388 114.554 -0.028 0.000 2.867 250 T HA -0.132 nan 4.350 nan 0.000 0.268 250 T C 1.926 176.672 174.700 0.078 0.000 1.057 250 T CA 2.982 65.098 62.100 0.027 0.000 1.136 250 T CB -0.313 68.576 68.868 0.036 0.000 0.874 250 T HN 0.108 8.318 8.240 -0.049 0.000 0.466 251 G N -0.606 108.261 108.800 0.112 0.000 2.712 251 G HA2 0.100 nan 3.960 nan 0.000 0.212 251 G HA3 0.100 nan 3.960 nan 0.000 0.212 251 G C 0.262 175.296 174.900 0.223 0.000 1.142 251 G CA 0.998 46.228 45.100 0.218 0.000 0.789 251 G HN 0.405 8.611 8.290 0.071 0.127 0.535 252 S N -1.628 114.167 115.700 0.159 0.000 2.651 252 S HA 0.192 nan 4.470 nan 0.000 0.259 252 S C 0.904 175.583 174.600 0.131 0.000 1.073 252 S CA -0.280 58.038 58.200 0.196 0.000 1.090 252 S CB 2.307 65.710 63.200 0.339 0.000 1.042 252 S HN -0.464 7.861 8.310 0.083 0.035 0.581 253 G N 2.143 110.990 108.800 0.079 0.000 2.175 253 G HA2 -0.304 nan 3.960 nan 0.000 0.244 253 G HA3 -0.304 nan 3.960 nan 0.000 0.244 253 G C -0.588 174.352 174.900 0.067 0.000 0.982 253 G CA 0.215 45.353 45.100 0.064 0.000 0.641 253 G HN 0.063 8.279 8.290 0.053 0.105 0.527 254 L N 1.737 122.998 121.223 0.064 0.000 2.416 254 L HA 0.017 nan 4.340 nan 0.000 0.272 254 L C 0.090 176.973 176.870 0.021 0.000 1.161 254 L CA 0.776 55.670 54.840 0.090 0.000 0.845 254 L CB 0.920 43.005 42.059 0.042 0.000 1.119 254 L HN -0.891 7.305 8.230 0.056 0.067 0.464 255 G N 3.349 112.204 108.800 0.092 0.000 2.491 255 G HA2 0.085 nan 3.960 nan 0.000 0.238 255 G HA3 0.085 nan 3.960 nan 0.000 0.238 255 G C -0.527 174.192 174.900 -0.302 0.000 1.277 255 G CA -1.512 43.471 45.100 -0.197 0.000 0.851 255 G HN 0.065 8.559 8.290 0.339 0.000 0.573 256 P HA -0.180 nan 4.420 nan 0.000 0.216 256 P C 1.572 178.715 177.300 -0.263 0.000 1.150 256 P CA 1.993 64.947 63.100 -0.244 0.000 0.837 256 P CB 0.301 31.886 31.700 -0.191 0.000 0.786 257 R N -2.792 117.475 120.500 -0.388 0.000 2.285 257 R HA -0.137 nan 4.340 nan 0.000 0.213 257 R C 1.002 177.221 176.300 -0.136 0.000 1.068 257 R CA 1.756 57.680 56.100 -0.293 0.000 1.004 257 R CB -0.399 29.710 30.300 -0.319 0.000 0.873 257 R HN 0.359 8.326 8.270 -0.506 0.000 0.467 258 Y N -3.767 116.512 120.300 -0.034 0.000 2.493 258 Y HA 0.030 nan 4.550 nan 0.000 0.275 258 Y C -0.593 175.302 175.900 -0.008 0.000 1.183 258 Y CA -1.548 56.549 58.100 -0.005 0.000 1.258 258 Y CB -0.785 37.683 38.460 0.014 0.000 1.108 258 Y HN -0.682 7.341 8.280 -0.317 0.067 0.521 259 V N 2.022 121.966 119.914 0.049 0.000 2.408 259 V HA -0.134 nan 4.120 nan 0.000 0.267 259 V C -0.379 175.740 176.094 0.042 0.000 1.047 259 V CA 0.173 62.474 62.300 0.002 0.000 0.937 259 V CB -1.097 30.657 31.823 -0.116 0.000 0.999 259 V HN -0.831 7.278 8.190 -0.022 0.069 0.472 260 D N 6.967 127.427 120.400 0.102 0.000 2.201 260 D HA 0.063 nan 4.640 nan 0.000 0.209 260 D C -0.376 175.997 176.300 0.122 0.000 0.961 260 D CA 2.078 56.147 54.000 0.115 0.000 0.861 260 D CB 1.437 42.333 40.800 0.160 0.000 0.997 260 D HN -0.018 8.434 8.370 0.136 0.000 0.486 261 Y N -1.295 118.982 120.300 -0.037 0.000 2.433 261 Y HA 0.066 nan 4.550 nan 0.000 0.337 261 Y C -2.923 172.921 175.900 -0.094 0.000 1.026 261 Y CA -0.518 57.533 58.100 -0.082 0.000 1.037 261 Y CB 3.561 41.951 38.460 -0.117 0.000 1.245 261 Y HN -0.435 7.950 8.280 0.175 0.000 0.443 262 V N 7.631 127.349 119.914 -0.327 0.000 2.334 262 V HA 0.475 nan 4.120 nan 0.000 0.281 262 V C -1.823 174.135 176.094 -0.227 0.000 1.016 262 V CA -1.409 60.781 62.300 -0.184 0.000 0.832 262 V CB 0.565 32.272 31.823 -0.193 0.000 0.999 262 V HN 0.496 8.306 8.190 -0.634 0.000 0.439 263 L N 9.285 130.532 121.223 0.039 0.000 2.260 263 L HA 0.582 nan 4.340 nan 0.000 0.289 263 L C -1.322 175.571 176.870 0.038 0.000 1.057 263 L CA -1.382 53.512 54.840 0.090 0.000 0.811 263 L CB 2.362 44.533 42.059 0.188 0.000 1.184 263 L HN 1.170 9.354 8.230 0.108 0.111 0.429 264 G N 7.335 116.141 108.800 0.010 0.000 2.327 264 G HA2 0.415 nan 3.960 nan 0.000 0.302 264 G HA3 0.415 nan 3.960 nan 0.000 0.302 264 G C -1.347 173.684 174.900 0.217 0.000 1.113 264 G CA -1.352 43.813 45.100 0.109 0.000 0.921 264 G HN 0.675 8.920 8.290 -0.074 0.000 0.425 265 I N 6.731 127.382 120.570 0.134 0.000 2.496 265 I HA 0.333 nan 4.170 nan 0.000 0.285 265 I C -1.667 174.492 176.117 0.070 0.000 1.080 265 I CA -1.136 60.224 61.300 0.099 0.000 1.404 265 I CB -0.586 37.448 38.000 0.056 0.000 1.403 265 I HN 1.144 9.287 8.210 0.103 0.129 0.539 266 L N 7.981 129.218 121.223 0.023 0.000 2.404 266 L HA 0.492 nan 4.340 nan 0.000 0.272 266 L C -2.489 174.320 176.870 -0.102 0.000 0.980 266 L CA -1.142 53.642 54.840 -0.094 0.000 0.836 266 L CB 3.802 45.681 42.059 -0.300 0.000 1.238 266 L HN 0.993 9.148 8.230 0.039 0.099 0.408 267 K N 7.142 127.470 120.400 -0.119 0.000 2.298 267 K HA 0.045 nan 4.320 nan 0.000 0.280 267 K C -0.309 176.221 176.600 -0.116 0.000 1.032 267 K CA -0.271 55.919 56.287 -0.161 0.000 0.958 267 K CB 1.130 33.449 32.500 -0.302 0.000 0.978 267 K HN 0.220 8.716 8.250 -0.121 -0.319 0.472 268 A N 4.310 127.140 122.820 0.016 0.000 2.186 268 A HA -0.183 nan 4.320 nan 0.000 0.219 268 A C -1.375 176.476 177.584 0.444 0.000 1.159 268 A CA 2.148 54.346 52.037 0.269 0.000 0.680 268 A CB 0.554 19.831 19.000 0.461 0.000 0.787 268 A HN 0.427 8.597 8.150 0.033 0.000 0.467 269 Y N -9.330 111.120 120.300 0.251 0.000 2.655 269 Y HA 0.387 nan 4.550 nan 0.000 0.336 269 Y C -2.137 173.911 175.900 0.247 0.000 1.154 269 Y CA -3.700 54.572 58.100 0.288 0.000 1.055 269 Y CB 1.954 40.556 38.460 0.237 0.000 1.295 269 Y HN -0.942 7.051 8.280 -0.363 0.070 0.465 270 S N 0.833 116.755 115.700 0.370 0.000 2.608 270 S HA 0.373 nan 4.470 nan 0.000 0.291 270 S C -1.266 173.594 174.600 0.434 0.000 1.146 270 S CA -0.549 57.883 58.200 0.387 0.000 1.043 270 S CB 2.048 65.671 63.200 0.704 0.000 1.037 270 S HN 0.667 9.191 8.310 0.525 0.101 0.520 271 T N -2.114 112.596 114.554 0.259 0.000 2.843 271 T HA 0.524 nan 4.350 nan 0.000 0.302 271 T C -2.497 172.089 174.700 -0.190 0.000 1.232 271 T CA -1.702 60.475 62.100 0.128 0.000 1.009 271 T CB 3.378 72.297 68.868 0.085 0.000 1.254 271 T HN 0.201 8.572 8.240 0.217 0.000 0.504 272 R N -0.089 120.217 120.500 -0.324 0.000 2.561 272 R HA 0.482 nan 4.340 nan 0.000 0.266 272 R C -2.347 173.800 176.300 -0.255 0.000 1.091 272 R CA -0.194 55.610 56.100 -0.493 0.000 0.927 272 R CB 4.511 34.066 30.300 -1.242 0.000 1.240 272 R HN 0.319 8.506 8.270 -0.139 0.000 0.449 273 V N 0.246 120.060 119.914 -0.167 0.000 2.407 273 V HA 0.681 nan 4.120 nan 0.000 0.278 273 V C -0.140 175.890 176.094 -0.106 0.000 1.037 273 V CA -2.453 59.790 62.300 -0.095 0.000 0.900 273 V CB -0.088 31.710 31.823 -0.041 0.000 0.983 273 V HN 0.550 8.650 8.190 -0.150 0.000 0.459 274 G N 6.017 114.769 108.800 -0.081 0.000 2.760 274 G HA2 -0.328 nan 3.960 nan 0.000 0.246 274 G HA3 -0.328 nan 3.960 nan 0.000 0.246 274 G C -1.710 173.128 174.900 -0.103 0.000 1.359 274 G CA -0.868 44.192 45.100 -0.066 0.000 0.861 274 G HN 0.372 8.501 8.290 -0.066 0.122 0.541 275 A N -0.133 122.651 122.820 -0.060 0.000 2.520 275 A HA -0.007 nan 4.320 nan 0.000 0.235 275 A C -0.028 177.387 177.584 -0.282 0.000 1.065 275 A CA 1.282 53.259 52.037 -0.100 0.000 0.764 275 A CB -0.112 18.927 19.000 0.066 0.000 1.002 275 A HN 0.333 8.473 8.150 -0.017 0.000 0.502 276 G N 0.515 108.953 108.800 -0.603 0.000 2.316 276 G HA2 -0.095 nan 3.960 nan 0.000 0.468 276 G HA3 -0.095 nan 3.960 nan 0.000 0.468 276 G C -3.562 170.973 174.900 -0.609 0.000 1.523 276 G CA -0.616 43.927 45.100 -0.929 0.000 0.972 276 G HN -0.541 7.462 8.290 -0.477 0.000 0.667 277 P HA 0.062 nan 4.420 nan 0.000 0.267 277 P C -1.864 175.311 177.300 -0.209 0.000 1.200 277 P CA 0.454 63.382 63.100 -0.287 0.000 0.772 277 P CB 0.327 31.777 31.700 -0.416 0.000 0.855 278 F N 1.623 121.456 119.950 -0.195 0.000 3.355 278 F HA 0.199 nan 4.527 nan 0.000 0.418 278 F C -2.365 173.437 175.800 0.002 0.000 1.094 278 F CA -3.331 54.534 58.000 -0.226 0.000 1.327 278 F CB -0.288 38.477 39.000 -0.393 0.000 2.583 278 F HN 0.078 8.471 8.300 0.155 0.000 0.694 279 P HA -0.179 nan 4.420 nan 0.000 0.217 279 P C -0.510 176.816 177.300 0.045 0.000 1.151 279 P CA 2.444 65.596 63.100 0.085 0.000 0.849 279 P CB 0.101 31.758 31.700 -0.071 0.000 0.787 280 T N -9.499 105.111 114.554 0.094 0.000 3.206 280 T HA 0.105 nan 4.350 nan 0.000 0.253 280 T C -0.474 174.093 174.700 -0.222 0.000 1.042 280 T CA -2.022 60.176 62.100 0.164 0.000 0.931 280 T CB -0.787 68.374 68.868 0.489 0.000 1.029 280 T HN 0.061 8.406 8.240 0.225 0.030 0.564 281 E N 1.576 121.334 120.200 -0.736 0.000 2.442 281 E HA -0.071 nan 4.350 nan 0.000 0.262 281 E C -0.362 175.810 176.600 -0.713 0.000 1.004 281 E CA 0.771 56.520 56.400 -1.085 0.000 0.928 281 E CB 0.632 29.663 29.700 -1.115 0.000 0.937 281 E HN -0.631 7.264 8.360 -0.642 0.080 0.446 282 L N 4.884 125.644 121.223 -0.771 0.000 2.343 282 L HA 0.168 nan 4.340 nan 0.000 0.275 282 L C -0.661 175.757 176.870 -0.753 0.000 1.056 282 L CA -0.368 54.134 54.840 -0.563 0.000 0.804 282 L CB 1.222 42.990 42.059 -0.485 0.000 1.203 282 L HN 0.290 8.062 8.230 -0.763 0.000 0.440 283 F N -0.476 119.410 119.950 -0.106 0.000 2.671 283 F HA 0.171 nan 4.527 nan 0.000 0.384 283 F C -0.955 174.811 175.800 -0.056 0.000 1.351 283 F CA -0.683 57.274 58.000 -0.072 0.000 1.151 283 F CB 0.750 39.718 39.000 -0.054 0.000 1.147 283 F HN 0.167 8.489 8.300 0.037 0.000 0.513 284 D N -0.604 119.820 120.400 0.040 0.000 2.837 284 D HA 0.147 nan 4.640 nan 0.000 0.294 284 D C 0.391 176.673 176.300 -0.029 0.000 1.158 284 D CA -1.766 52.242 54.000 0.013 0.000 1.073 284 D CB 0.499 41.303 40.800 0.007 0.000 1.419 284 D HN -0.693 7.645 8.370 -0.052 0.000 0.584 285 E N -2.369 117.815 120.200 -0.027 0.000 2.204 285 E HA -0.223 nan 4.350 nan 0.000 0.194 285 E C 1.998 178.576 176.600 -0.036 0.000 0.989 285 E CA 3.074 59.460 56.400 -0.023 0.000 0.824 285 E CB -0.221 29.470 29.700 -0.014 0.000 0.756 285 E HN 0.385 8.733 8.360 -0.020 0.000 0.477 286 T N 3.514 118.010 114.554 -0.097 0.000 2.684 286 T HA -0.274 nan 4.350 nan 0.000 0.267 286 T C 1.760 176.339 174.700 -0.202 0.000 1.036 286 T CA 4.693 66.691 62.100 -0.169 0.000 1.148 286 T CB -0.761 67.931 68.868 -0.293 0.000 0.863 286 T HN -0.334 7.959 8.240 -0.097 -0.111 0.436 287 G N 0.494 109.140 108.800 -0.256 0.000 2.432 287 G HA2 -0.312 nan 3.960 nan 0.000 0.219 287 G HA3 -0.312 nan 3.960 nan 0.000 0.219 287 G C 1.149 175.953 174.900 -0.160 0.000 1.135 287 G CA 1.997 46.937 45.100 -0.267 0.000 0.767 287 G HN -0.216 8.172 8.290 -0.242 -0.244 0.550 288 E N 1.952 122.097 120.200 -0.092 0.000 2.158 288 E HA -0.138 nan 4.350 nan 0.000 0.191 288 E C 1.813 178.382 176.600 -0.052 0.000 0.982 288 E CA 1.538 57.906 56.400 -0.053 0.000 0.823 288 E CB -0.474 29.215 29.700 -0.018 0.000 0.766 288 E HN -0.694 7.509 8.360 -0.084 0.106 0.468 289 F N 2.033 121.883 119.950 -0.167 0.000 2.146 289 F HA -0.243 nan 4.527 nan 0.000 0.298 289 F C 1.294 176.952 175.800 -0.236 0.000 1.096 289 F CA 3.728 61.624 58.000 -0.174 0.000 1.275 289 F CB 0.361 39.254 39.000 -0.178 0.000 1.008 289 F HN 0.191 8.354 8.300 0.091 0.191 0.480 290 L N -2.624 118.479 121.223 -0.200 0.000 2.201 290 L HA -0.423 nan 4.340 nan 0.000 0.212 290 L C 1.687 178.288 176.870 -0.449 0.000 1.105 290 L CA 2.632 57.196 54.840 -0.460 0.000 0.775 290 L CB -0.407 41.322 42.059 -0.549 0.000 0.913 290 L HN 0.434 8.517 8.230 -0.067 0.107 0.440 291 C N -1.291 117.834 119.300 -0.292 0.000 2.500 291 C HA -0.231 nan 4.460 nan 0.000 0.279 291 C C 1.696 176.498 174.990 -0.314 0.000 1.288 291 C CA 2.479 61.360 59.018 -0.228 0.000 1.710 291 C CB -0.941 26.726 27.740 -0.122 0.000 2.052 291 C HN -0.499 7.562 8.230 -0.240 0.025 0.488 292 K N -0.209 120.029 120.400 -0.270 0.000 2.001 292 K HA -0.323 nan 4.320 nan 0.000 0.208 292 K C 2.978 179.373 176.600 -0.341 0.000 1.048 292 K CA 3.323 59.481 56.287 -0.215 0.000 0.932 292 K CB -0.123 32.300 32.500 -0.128 0.000 0.715 292 K HN -0.132 7.973 8.250 -0.242 0.000 0.437 293 Q N -1.997 117.469 119.800 -0.558 0.000 2.488 293 Q HA -0.110 nan 4.340 nan 0.000 0.211 293 Q C 1.213 176.998 176.000 -0.358 0.000 0.967 293 Q CA 1.915 57.384 55.803 -0.556 0.000 0.926 293 Q CB -0.213 27.909 28.738 -1.026 0.000 0.992 293 Q HN 0.205 8.032 8.270 -0.737 0.000 0.506 294 G N -3.800 104.793 108.800 -0.346 0.000 3.192 294 G HA2 0.076 nan 3.960 nan 0.000 0.239 294 G HA3 0.076 nan 3.960 nan 0.000 0.239 294 G C -1.148 173.612 174.900 -0.233 0.000 1.084 294 G CA -1.270 43.725 45.100 -0.175 0.000 0.784 294 G HN -0.631 7.236 8.290 -0.410 0.177 0.540 295 N N -1.154 117.257 118.700 -0.481 0.000 2.714 295 N HA -0.501 nan 4.740 nan 0.000 0.253 295 N C -0.335 174.699 175.510 -0.795 0.000 1.024 295 N CA 1.198 53.723 53.050 -0.875 0.000 0.726 295 N CB -0.407 37.870 38.487 -0.349 0.000 0.908 295 N HN -0.508 7.425 8.380 -0.473 0.163 0.542 296 E N -4.177 115.604 120.200 -0.698 0.000 2.451 296 E HA 0.090 nan 4.350 nan 0.000 0.194 296 E C 0.062 176.532 176.600 -0.215 0.000 1.027 296 E CA -0.938 55.276 56.400 -0.311 0.000 0.914 296 E CB -0.260 29.375 29.700 -0.108 0.000 1.054 296 E HN -0.232 7.689 8.360 -0.731 0.000 0.461 297 F N -1.166 118.781 119.950 -0.004 0.000 2.661 297 F HA 0.125 nan 4.527 nan 0.000 0.356 297 F C 0.392 176.189 175.800 -0.005 0.000 1.244 297 F CA -3.913 54.080 58.000 -0.011 0.000 1.290 297 F CB -2.557 36.430 39.000 -0.022 0.000 1.677 297 F HN -0.587 6.694 8.300 -1.568 0.079 0.649 298 G N -0.006 108.920 108.800 0.210 0.000 2.386 298 G HA2 -0.482 nan 3.960 nan 0.000 0.295 298 G HA3 -0.482 nan 3.960 nan 0.000 0.295 298 G C -0.891 174.136 174.900 0.212 0.000 0.979 298 G CA 0.293 45.484 45.100 0.153 0.000 1.193 298 G HN -0.136 8.177 8.290 0.124 0.051 0.508 299 A N 0.824 123.769 122.820 0.209 0.000 2.051 299 A HA 0.239 nan 4.320 nan 0.000 0.218 299 A C 1.444 179.095 177.584 0.112 0.000 1.575 299 A CA 0.903 53.075 52.037 0.223 0.000 0.700 299 A CB 0.445 19.561 19.000 0.194 0.000 1.245 299 A HN 0.037 8.264 8.150 0.128 0.000 0.536 300 T N -1.653 112.937 114.554 0.061 0.000 2.746 300 T HA -0.128 nan 4.350 nan 0.000 0.267 300 T C 0.101 174.830 174.700 0.049 0.000 1.039 300 T CA 1.728 63.852 62.100 0.041 0.000 1.142 300 T CB 0.497 69.374 68.868 0.014 0.000 0.866 300 T HN 0.313 8.575 8.240 0.037 0.000 0.444 301 T N 1.743 116.325 114.554 0.047 0.000 4.412 301 T HA 0.220 nan 4.350 nan 0.000 0.341 301 T C -1.068 173.653 174.700 0.035 0.000 0.789 301 T CA 0.359 62.486 62.100 0.044 0.000 0.944 301 T CB 0.930 69.824 68.868 0.043 0.000 1.145 301 T HN -0.202 8.039 8.240 0.046 0.027 0.464 302 G N 3.508 112.331 108.800 0.038 0.000 2.677 302 G HA2 0.347 nan 3.960 nan 0.000 0.283 302 G HA3 0.347 nan 3.960 nan 0.000 0.283 302 G C -1.718 173.199 174.900 0.028 0.000 1.221 302 G CA 0.425 45.543 45.100 0.030 0.000 0.851 302 G HN -0.185 8.131 8.290 0.044 0.000 0.504 303 R N -3.606 116.910 120.500 0.027 0.000 1.588 303 R HA -0.045 nan 4.340 nan 0.000 0.030 303 R C -1.507 174.805 176.300 0.019 0.000 0.818 303 R CA 0.511 56.624 56.100 0.022 0.000 3.474 303 R CB 0.870 31.176 30.300 0.010 0.000 0.772 303 R HN 0.261 8.548 8.270 0.028 0.000 0.576 304 R N 2.437 122.942 120.500 0.009 0.000 2.701 304 R HA 0.160 nan 4.340 nan 0.000 0.281 304 R C -1.863 174.433 176.300 -0.008 0.000 1.367 304 R CA -0.236 55.865 56.100 0.002 0.000 1.510 304 R CB 0.092 30.387 30.300 -0.007 0.000 1.306 304 R HN -0.378 7.894 8.270 0.003 0.000 0.682 305 R N 2.670 123.174 120.500 0.007 0.000 2.612 305 R HA 0.131 nan 4.340 nan 0.000 0.273 305 R C -0.598 175.713 176.300 0.018 0.000 1.376 305 R CA -0.444 55.657 56.100 0.002 0.000 1.171 305 R CB -0.515 29.793 30.300 0.013 0.000 1.151 305 R HN 0.360 8.645 8.270 0.024 0.000 0.560 306 R N 4.654 125.172 120.500 0.030 0.000 2.694 306 R HA 0.023 nan 4.340 nan 0.000 0.268 306 R C -1.359 175.065 176.300 0.206 0.000 1.061 306 R CA 0.486 56.641 56.100 0.092 0.000 1.133 306 R CB 0.918 31.324 30.300 0.176 0.000 1.020 306 R HN 0.053 8.317 8.270 -0.009 0.000 0.475 307 T N -3.878 110.729 114.554 0.089 0.000 2.907 307 T HA 0.813 nan 4.350 nan 0.000 0.292 307 T C -1.266 173.368 174.700 -0.110 0.000 1.043 307 T CA -2.478 59.688 62.100 0.109 0.000 1.003 307 T CB 3.366 72.227 68.868 -0.012 0.000 1.084 307 T HN 0.218 8.417 8.240 -0.069 0.000 0.483 308 G N 0.278 109.089 108.800 0.017 0.000 2.550 308 G HA2 0.638 nan 3.960 nan 0.000 0.293 308 G HA3 0.638 nan 3.960 nan 0.000 0.293 308 G C -2.455 172.476 174.900 0.051 0.000 1.402 308 G CA 0.307 45.281 45.100 -0.209 0.000 0.784 308 G HN 0.479 8.842 8.290 0.280 0.095 0.482 309 W N -1.900 119.487 121.300 0.146 0.000 2.126 309 W HA 0.089 nan 4.660 nan 0.000 0.346 309 W C -0.287 176.427 176.519 0.324 0.000 1.279 309 W CA -0.082 57.383 57.345 0.200 0.000 1.259 309 W CB 1.103 30.609 29.460 0.077 0.000 1.133 309 W HN -0.129 8.090 8.180 0.065 0.000 0.592 310 L N 0.242 121.837 121.223 0.619 0.000 2.485 310 L HA -0.161 nan 4.340 nan 0.000 0.275 310 L C -1.249 175.863 176.870 0.404 0.000 1.207 310 L CA 0.897 55.992 54.840 0.423 0.000 0.855 310 L CB 0.848 43.087 42.059 0.301 0.000 1.114 310 L HN 0.373 9.021 8.230 0.697 0.000 0.485 311 D N 5.302 125.909 120.400 0.346 0.000 2.472 311 D HA 0.268 nan 4.640 nan 0.000 0.234 311 D C 0.405 176.809 176.300 0.173 0.000 1.088 311 D CA -1.146 53.059 54.000 0.342 0.000 0.882 311 D CB 1.521 42.617 40.800 0.493 0.000 1.037 311 D HN 0.346 8.891 8.370 0.291 0.000 0.520 312 T N 1.335 115.958 114.554 0.115 0.000 2.881 312 T HA -0.222 nan 4.350 nan 0.000 0.270 312 T C 1.498 176.196 174.700 -0.003 0.000 1.068 312 T CA 3.300 65.419 62.100 0.032 0.000 1.131 312 T CB -0.093 68.785 68.868 0.018 0.000 0.871 312 T HN 0.198 8.528 8.240 0.150 0.000 0.479 313 V N 2.563 122.444 119.914 -0.056 0.000 2.343 313 V HA -0.357 nan 4.120 nan 0.000 0.247 313 V C 1.795 177.841 176.094 -0.079 0.000 1.051 313 V CA 3.825 66.000 62.300 -0.209 0.000 1.036 313 V CB -1.216 30.182 31.823 -0.709 0.000 0.654 313 V HN -0.325 7.930 8.190 -0.017 -0.075 0.451 314 A N -1.082 121.782 122.820 0.074 0.000 1.897 314 A HA -0.216 nan 4.320 nan 0.000 0.215 314 A C 2.044 179.642 177.584 0.022 0.000 1.181 314 A CA 3.309 55.433 52.037 0.145 0.000 0.620 314 A CB -0.544 18.587 19.000 0.219 0.000 0.821 314 A HN -0.444 8.075 8.150 0.128 -0.292 0.443 315 V N -0.463 119.456 119.914 0.009 0.000 2.407 315 V HA -0.498 nan 4.120 nan 0.000 0.248 315 V C 2.333 178.471 176.094 0.072 0.000 1.055 315 V CA 4.300 66.603 62.300 0.006 0.000 1.049 315 V CB -1.191 30.603 31.823 -0.049 0.000 0.662 315 V HN 0.622 8.721 8.190 0.033 0.111 0.455 316 R N -0.945 119.582 120.500 0.046 0.000 2.081 316 R HA -0.367 nan 4.340 nan 0.000 0.235 316 R C 1.986 178.297 176.300 0.018 0.000 1.131 316 R CA 3.813 59.936 56.100 0.038 0.000 0.960 316 R CB -0.274 30.026 30.300 0.000 0.000 0.856 316 R HN 0.345 8.515 8.270 0.022 0.112 0.436 317 R N -0.476 120.036 120.500 0.020 0.000 2.091 317 R HA -0.297 nan 4.340 nan 0.000 0.238 317 R C 1.758 178.058 176.300 -0.000 0.000 1.136 317 R CA 2.596 58.709 56.100 0.022 0.000 0.959 317 R CB -0.846 29.497 30.300 0.072 0.000 0.856 317 R HN -0.644 7.640 8.270 0.023 0.000 0.437 318 A N -1.574 121.248 122.820 0.002 0.000 1.933 318 A HA -0.200 nan 4.320 nan 0.000 0.218 318 A C 2.394 179.970 177.584 -0.013 0.000 1.175 318 A CA 3.036 55.068 52.037 -0.008 0.000 0.628 318 A CB -0.804 18.196 19.000 0.001 0.000 0.814 318 A HN -0.348 7.728 8.150 0.009 0.079 0.444 319 V N -0.197 119.722 119.914 0.008 0.000 2.287 319 V HA -0.534 nan 4.120 nan 0.000 0.248 319 V C 2.165 178.202 176.094 -0.095 0.000 1.053 319 V CA 4.463 66.725 62.300 -0.063 0.000 1.027 319 V CB -0.911 30.889 31.823 -0.039 0.000 0.646 319 V HN -0.010 8.125 8.190 0.052 0.086 0.447 320 Q N -0.646 119.113 119.800 -0.069 0.000 2.050 320 Q HA -0.300 nan 4.340 nan 0.000 0.202 320 Q C 2.454 178.389 176.000 -0.108 0.000 0.980 320 Q CA 3.255 59.009 55.803 -0.081 0.000 0.840 320 Q CB -0.048 28.654 28.738 -0.060 0.000 0.898 320 Q HN -0.269 7.976 8.270 -0.042 0.000 0.424 321 L N -3.726 117.431 121.223 -0.110 0.000 2.156 321 L HA -0.208 nan 4.340 nan 0.000 0.208 321 L C 1.040 177.835 176.870 -0.125 0.000 1.095 321 L CA 2.094 56.847 54.840 -0.146 0.000 0.770 321 L CB 0.214 42.199 42.059 -0.123 0.000 0.914 321 L HN -0.331 7.849 8.230 -0.084 0.000 0.439 322 N N -4.949 113.685 118.700 -0.111 0.000 2.184 322 N HA 0.130 nan 4.740 nan 0.000 0.206 322 N C -0.486 174.936 175.510 -0.146 0.000 1.151 322 N CA -0.397 52.585 53.050 -0.113 0.000 0.878 322 N CB 1.478 39.910 38.487 -0.092 0.000 1.014 322 N HN -0.695 7.596 8.380 -0.105 0.026 0.512 323 S N -2.455 113.154 115.700 -0.152 0.000 3.631 323 S HA -0.443 nan 4.470 nan 0.000 0.366 323 S C -0.220 174.242 174.600 -0.229 0.000 0.993 323 S CA 0.315 58.413 58.200 -0.171 0.000 1.167 323 S CB -1.599 61.508 63.200 -0.154 0.000 0.909 323 S HN -0.466 7.710 8.310 -0.138 0.052 0.478 324 L N -0.634 120.433 121.223 -0.260 0.000 2.578 324 L HA -0.335 nan 4.340 nan 0.000 0.279 324 L C 0.676 177.275 176.870 -0.451 0.000 1.227 324 L CA 1.337 55.952 54.840 -0.376 0.000 0.900 324 L CB 0.197 41.964 42.059 -0.488 0.000 1.144 324 L HN -0.386 7.712 8.230 -0.221 0.000 0.496 325 S N 3.220 118.568 115.700 -0.587 0.000 2.412 325 S HA 0.196 nan 4.470 nan 0.000 0.223 325 S C -0.270 173.948 174.600 -0.638 0.000 1.048 325 S CA 1.593 59.360 58.200 -0.723 0.000 0.954 325 S CB 1.248 63.653 63.200 -1.324 0.000 0.840 325 S HN 0.636 8.584 8.310 -0.603 0.000 0.503 326 G N -2.998 105.433 108.800 -0.616 0.000 2.692 326 G HA2 0.418 nan 3.960 nan 0.000 0.291 326 G HA3 0.418 nan 3.960 nan 0.000 0.291 326 G C -3.114 171.625 174.900 -0.268 0.000 1.423 326 G CA 0.015 44.933 45.100 -0.304 0.000 0.843 326 G HN -0.776 7.112 8.290 -0.670 0.000 0.486 327 F N -0.991 118.953 119.950 -0.011 0.000 2.470 327 F HA 0.854 nan 4.527 nan 0.000 0.329 327 F C -1.646 174.158 175.800 0.007 0.000 1.072 327 F CA -2.554 55.438 58.000 -0.013 0.000 0.989 327 F CB 4.001 42.981 39.000 -0.034 0.000 1.193 327 F HN 0.525 8.735 8.300 0.024 0.105 0.481 328 C N 4.568 124.022 119.300 0.256 0.000 2.335 328 C HA 0.612 nan 4.460 nan 0.000 0.318 328 C C -1.840 173.200 174.990 0.083 0.000 1.150 328 C CA -2.345 56.749 59.018 0.127 0.000 1.466 328 C CB 0.170 27.964 27.740 0.090 0.000 2.024 328 C HN 0.518 8.938 8.230 0.317 0.000 0.429 329 L N 10.405 131.656 121.223 0.046 0.000 2.313 329 L HA 0.542 nan 4.340 nan 0.000 0.282 329 L C -1.695 175.190 176.870 0.024 0.000 1.092 329 L CA -0.131 54.709 54.840 0.001 0.000 0.831 329 L CB 2.172 44.218 42.059 -0.020 0.000 1.159 329 L HN 0.271 8.536 8.230 0.057 0.000 0.442 330 T N 2.832 117.397 114.554 0.018 0.000 2.952 330 T HA 0.412 nan 4.350 nan 0.000 0.286 330 T C -0.559 174.189 174.700 0.079 0.000 1.024 330 T CA -2.844 59.276 62.100 0.033 0.000 1.029 330 T CB 1.679 70.552 68.868 0.008 0.000 1.094 330 T HN 0.866 8.982 8.240 -0.007 0.119 0.515 331 K N -0.118 120.347 120.400 0.107 0.000 3.077 331 K HA -0.443 nan 4.320 nan 0.000 0.264 331 K C 1.170 177.946 176.600 0.293 0.000 1.008 331 K CA 1.418 57.826 56.287 0.202 0.000 0.740 331 K CB -1.447 31.210 32.500 0.261 0.000 1.273 331 K HN 0.553 8.847 8.250 0.072 0.000 0.477 332 L N -0.786 120.584 121.223 0.245 0.000 2.083 332 L HA -0.354 nan 4.340 nan 0.000 0.209 332 L C 0.464 177.575 176.870 0.401 0.000 1.083 332 L CA 3.232 58.272 54.840 0.334 0.000 0.752 332 L CB -0.117 42.073 42.059 0.217 0.000 0.899 332 L HN -0.466 7.863 8.230 0.165 0.000 0.433 333 D N -1.691 118.897 120.400 0.312 0.000 2.221 333 D HA -0.318 nan 4.640 nan 0.000 0.204 333 D C 2.280 178.776 176.300 0.328 0.000 0.982 333 D CA 2.714 56.928 54.000 0.357 0.000 0.857 333 D CB -1.094 39.943 40.800 0.397 0.000 0.934 333 D HN 0.323 8.820 8.370 0.234 0.014 0.475 334 V N 0.281 120.364 119.914 0.283 0.000 2.469 334 V HA -0.295 nan 4.120 nan 0.000 0.251 334 V C 1.534 177.720 176.094 0.154 0.000 1.064 334 V CA 2.789 65.178 62.300 0.148 0.000 1.066 334 V CB -0.593 31.278 31.823 0.080 0.000 0.667 334 V HN -0.605 7.630 8.190 0.319 0.146 0.461 335 L N -4.223 117.127 121.223 0.213 0.000 2.599 335 L HA 0.029 nan 4.340 nan 0.000 0.230 335 L C 0.008 176.779 176.870 -0.165 0.000 1.141 335 L CA -0.274 54.588 54.840 0.037 0.000 0.877 335 L CB -0.469 41.576 42.059 -0.025 0.000 1.009 335 L HN -0.608 7.793 8.230 0.326 0.025 0.447 336 D N 0.383 120.851 120.400 0.113 0.000 2.450 336 D HA -0.168 nan 4.640 nan 0.000 0.247 336 D C 0.950 177.247 176.300 -0.005 0.000 1.162 336 D CA 2.270 56.324 54.000 0.090 0.000 0.879 336 D CB -0.373 40.590 40.800 0.271 0.000 1.163 336 D HN -0.306 8.025 8.370 0.251 0.190 0.472 337 G N 4.710 113.418 108.800 -0.154 0.000 2.254 337 G HA2 -0.421 nan 3.960 nan 0.000 0.225 337 G HA3 -0.421 nan 3.960 nan 0.000 0.225 337 G C -0.189 174.506 174.900 -0.341 0.000 1.003 337 G CA -0.206 44.802 45.100 -0.153 0.000 0.622 337 G HN 0.626 8.775 8.290 -0.236 0.000 0.507 338 L N -0.074 120.866 121.223 -0.471 0.000 2.483 338 L HA -0.124 nan 4.340 nan 0.000 0.276 338 L C 0.088 176.722 176.870 -0.393 0.000 1.213 338 L CA 0.112 54.651 54.840 -0.503 0.000 0.843 338 L CB 0.432 42.222 42.059 -0.449 0.000 1.107 338 L HN -0.584 7.301 8.230 -0.464 0.067 0.487 339 K N 1.186 121.406 120.400 -0.301 0.000 1.975 339 K HA -0.138 nan 4.320 nan 0.000 0.210 339 K C 0.399 176.865 176.600 -0.223 0.000 1.041 339 K CA 2.152 58.309 56.287 -0.216 0.000 0.942 339 K CB 0.447 32.851 32.500 -0.160 0.000 0.729 339 K HN 0.287 8.353 8.250 -0.307 0.000 0.439 340 E N -4.972 115.099 120.200 -0.215 0.000 2.281 340 E HA 0.584 nan 4.350 nan 0.000 0.257 340 E C -0.752 175.636 176.600 -0.353 0.000 0.971 340 E CA -1.250 55.004 56.400 -0.244 0.000 0.839 340 E CB 2.863 32.446 29.700 -0.195 0.000 1.238 340 E HN -0.579 7.670 8.360 -0.185 0.000 0.412 341 V N -5.774 113.850 119.914 -0.483 0.000 3.049 341 V HA 0.511 nan 4.120 nan 0.000 0.309 341 V C -2.474 173.055 176.094 -0.942 0.000 1.148 341 V CA -2.364 59.465 62.300 -0.785 0.000 0.990 341 V CB 3.082 34.450 31.823 -0.758 0.000 1.039 341 V HN 1.095 8.949 8.190 -0.385 0.105 0.430 342 K N 1.331 120.756 120.400 -1.624 0.000 2.385 342 K HA 0.882 nan 4.320 nan 0.000 0.248 342 K C -1.321 174.928 176.600 -0.586 0.000 0.955 342 K CA -1.071 54.453 56.287 -1.271 0.000 0.816 342 K CB 3.463 34.715 32.500 -2.081 0.000 1.250 342 K HN 0.022 6.797 8.250 -2.458 0.000 0.434 343 L N -0.510 120.625 121.223 -0.145 0.000 2.408 343 L HA 0.568 nan 4.340 nan 0.000 0.268 343 L C -1.724 175.336 176.870 0.316 0.000 0.986 343 L CA -1.665 53.267 54.840 0.154 0.000 0.820 343 L CB 4.346 46.491 42.059 0.143 0.000 1.303 343 L HN -0.274 7.867 8.230 -0.149 0.000 0.411 344 C N 4.920 124.455 119.300 0.392 0.000 2.394 344 C HA 0.437 nan 4.460 nan 0.000 0.362 344 C C 0.471 175.549 174.990 0.147 0.000 1.268 344 C CA -0.590 58.618 59.018 0.317 0.000 1.828 344 C CB -0.253 27.698 27.740 0.353 0.000 2.442 344 C HN 0.415 8.876 8.230 0.385 0.000 0.549 345 V N 0.978 120.938 119.914 0.078 0.000 3.477 345 V HA 0.462 nan 4.120 nan 0.000 0.297 345 V C -1.644 174.424 176.094 -0.043 0.000 1.433 345 V CA -1.084 61.225 62.300 0.016 0.000 1.052 345 V CB 0.718 32.559 31.823 0.030 0.000 0.895 345 V HN 0.520 8.758 8.190 0.080 0.000 0.438 346 A N -0.649 122.141 122.820 -0.050 0.000 2.590 346 A HA 0.449 nan 4.320 nan 0.000 0.296 346 A C -3.048 174.556 177.584 0.033 0.000 1.050 346 A CA 0.794 52.782 52.037 -0.083 0.000 0.697 346 A CB 2.037 21.013 19.000 -0.040 0.000 1.277 346 A HN -0.751 7.395 8.150 -0.006 0.000 0.411 347 Y N 0.318 120.575 120.300 -0.072 0.000 2.328 347 Y HA 0.604 nan 4.550 nan 0.000 0.337 347 Y C -1.324 174.521 175.900 -0.093 0.000 1.008 347 Y CA -3.280 54.760 58.100 -0.100 0.000 1.129 347 Y CB 2.018 40.390 38.460 -0.147 0.000 1.185 347 Y HN 1.042 9.157 8.280 -0.091 0.111 0.476 348 R N 5.453 125.997 120.500 0.073 0.000 2.216 348 R HA 0.423 nan 4.340 nan 0.000 0.332 348 R C -1.013 175.281 176.300 -0.011 0.000 1.056 348 R CA -1.073 55.036 56.100 0.015 0.000 0.901 348 R CB 0.677 30.974 30.300 -0.005 0.000 1.039 348 R HN 0.967 9.167 8.270 0.055 0.103 0.456 349 M N 7.825 127.418 119.600 -0.013 0.000 2.211 349 M HA 0.272 nan 4.480 nan 0.000 0.356 349 M C -0.924 175.361 176.300 -0.025 0.000 1.216 349 M CA -3.345 51.936 55.300 -0.032 0.000 1.134 349 M CB -1.250 31.333 32.600 -0.028 0.000 1.564 349 M HN 0.968 9.144 8.290 -0.004 0.112 0.463 350 P HA -0.318 nan 4.420 nan 0.000 0.219 350 P C -0.577 176.717 177.300 -0.009 0.000 1.149 350 P CA 2.462 65.552 63.100 -0.016 0.000 0.835 350 P CB -0.745 30.948 31.700 -0.011 0.000 0.778 351 D N -3.132 117.263 120.400 -0.008 0.000 2.103 351 D HA -0.185 nan 4.640 nan 0.000 0.199 351 D C 0.669 176.966 176.300 -0.004 0.000 0.978 351 D CA 0.713 54.711 54.000 -0.004 0.000 0.829 351 D CB 0.352 41.150 40.800 -0.002 0.000 0.981 351 D HN -0.098 8.224 8.370 -0.011 0.041 0.464 352 G N -1.109 107.688 108.800 -0.006 0.000 3.509 352 G HA2 -0.167 nan 3.960 nan 0.000 0.220 352 G HA3 -0.167 nan 3.960 nan 0.000 0.220 352 G C -1.751 173.146 174.900 -0.004 0.000 0.951 352 G CA -0.266 44.831 45.100 -0.005 0.000 0.844 352 G HN 0.019 8.242 8.290 -0.008 0.063 0.568 353 R N 0.349 120.846 120.500 -0.005 0.000 2.537 353 R HA -0.062 nan 4.340 nan 0.000 0.280 353 R C -1.028 175.270 176.300 -0.004 0.000 1.058 353 R CA 0.351 56.447 56.100 -0.005 0.000 1.057 353 R CB 0.335 30.631 30.300 -0.006 0.000 0.973 353 R HN -0.817 7.936 8.270 -0.006 -0.486 0.438 354 E N 2.573 122.771 120.200 -0.004 0.000 2.081 354 E HA 0.574 nan 4.350 nan 0.000 0.276 354 E C -0.229 176.364 176.600 -0.012 0.000 0.950 354 E CA -0.633 55.766 56.400 -0.002 0.000 0.776 354 E CB 0.699 30.397 29.700 -0.003 0.000 1.094 354 E HN 0.191 8.548 8.360 -0.005 0.000 0.402 355 V N -0.024 119.882 119.914 -0.014 0.000 3.019 355 V HA 0.660 nan 4.120 nan 0.000 0.317 355 V C -0.496 175.542 176.094 -0.093 0.000 1.094 355 V CA -2.770 59.505 62.300 -0.042 0.000 1.000 355 V CB 3.085 34.887 31.823 -0.036 0.000 1.060 355 V HN 0.620 8.710 8.190 0.008 0.104 0.443 356 T N -4.608 109.878 114.554 -0.114 0.000 3.043 356 T HA 0.236 nan 4.350 nan 0.000 0.272 356 T C -1.073 173.513 174.700 -0.190 0.000 0.990 356 T CA 0.671 62.673 62.100 -0.162 0.000 0.897 356 T CB 0.295 69.106 68.868 -0.096 0.000 1.111 356 T HN 0.206 8.396 8.240 -0.084 0.000 0.529 357 T N -2.836 111.631 114.554 -0.145 0.000 2.859 357 T HA 0.236 nan 4.350 nan 0.000 0.281 357 T C 0.014 174.653 174.700 -0.101 0.000 1.005 357 T CA -2.393 59.644 62.100 -0.104 0.000 1.025 357 T CB 0.986 69.831 68.868 -0.039 0.000 0.977 357 T HN -0.704 7.468 8.240 -0.112 0.000 0.458 358 T N 5.999 120.538 114.554 -0.025 0.000 2.800 358 T HA -0.058 nan 4.350 nan 0.000 0.283 358 T C -1.421 173.326 174.700 0.078 0.000 0.999 358 T CA -0.237 61.931 62.100 0.112 0.000 1.176 358 T CB -0.338 68.723 68.868 0.321 0.000 0.973 358 T HN 0.361 8.597 8.240 -0.007 0.000 0.519 359 P HA -0.048 nan 4.420 nan 0.000 0.270 359 P C -0.720 176.655 177.300 0.124 0.000 1.227 359 P CA -0.788 62.244 63.100 -0.113 0.000 0.788 359 P CB 0.647 32.095 31.700 -0.420 0.000 0.926 360 L N -0.958 120.352 121.223 0.144 0.000 2.573 360 L HA -0.249 nan 4.340 nan 0.000 0.290 360 L C 1.708 178.843 176.870 0.442 0.000 1.247 360 L CA 0.474 55.455 54.840 0.235 0.000 0.876 360 L CB -0.167 41.983 42.059 0.153 0.000 1.123 360 L HN 0.358 8.631 8.230 0.073 0.000 0.505 361 A N 6.360 129.429 122.820 0.416 0.000 2.004 361 A HA -0.165 nan 4.320 nan 0.000 0.212 361 A C -0.833 176.986 177.584 0.392 0.000 1.442 361 A CA 0.990 53.287 52.037 0.433 0.000 1.450 361 A CB -1.813 17.349 19.000 0.271 0.000 0.749 361 A HN 0.608 8.941 8.150 0.304 0.000 0.591 362 A N -2.771 120.324 122.820 0.458 0.000 1.558 362 A HA -0.019 nan 4.320 nan 0.000 0.243 362 A C -2.385 175.387 177.584 0.313 0.000 1.426 362 A CA 0.393 52.652 52.037 0.369 0.000 1.328 362 A CB 1.239 20.402 19.000 0.273 0.000 0.887 362 A HN 0.020 8.376 8.150 0.560 0.131 0.636 363 D N 0.893 121.518 120.400 0.376 0.000 3.344 363 D HA 0.049 nan 4.640 nan 0.000 0.308 363 D C -0.840 175.571 176.300 0.184 0.000 1.356 363 D CA -0.639 53.477 54.000 0.193 0.000 0.998 363 D CB 2.144 42.986 40.800 0.071 0.000 1.370 363 D HN -0.097 8.640 8.370 0.612 0.000 0.610 364 D N 1.751 122.191 120.400 0.066 0.000 3.008 364 D HA 0.112 nan 4.640 nan 0.000 0.242 364 D C 0.905 177.252 176.300 0.078 0.000 1.222 364 D CA -0.787 53.254 54.000 0.069 0.000 0.883 364 D CB -1.593 39.219 40.800 0.020 0.000 1.110 364 D HN 0.169 8.543 8.370 0.008 0.000 0.455 365 W N 1.216 122.531 121.300 0.025 0.000 2.302 365 W HA -0.460 nan 4.660 nan 0.000 0.320 365 W C 1.579 178.073 176.519 -0.042 0.000 1.241 365 W CA 3.705 61.045 57.345 -0.008 0.000 1.264 365 W CB -0.034 29.446 29.460 0.033 0.000 1.154 365 W HN -0.120 8.216 8.180 0.420 0.097 0.483 366 K N -1.830 118.706 120.400 0.225 0.000 2.442 366 K HA -0.198 nan 4.320 nan 0.000 0.198 366 K C 0.847 177.482 176.600 0.058 0.000 1.042 366 K CA 1.389 57.741 56.287 0.107 0.000 0.958 366 K CB -0.331 32.209 32.500 0.067 0.000 0.766 366 K HN 0.129 8.530 8.250 0.253 0.000 0.474 367 G N -1.626 107.204 108.800 0.050 0.000 3.805 367 G HA2 0.183 nan 3.960 nan 0.000 0.290 367 G HA3 0.183 nan 3.960 nan 0.000 0.290 367 G C -1.734 173.148 174.900 -0.031 0.000 1.077 367 G CA -0.674 44.431 45.100 0.009 0.000 0.852 367 G HN -0.078 8.035 8.290 0.078 0.224 0.531 368 V N -4.082 115.792 119.914 -0.067 0.000 2.483 368 V HA 0.552 nan 4.120 nan 0.000 0.295 368 V C -1.451 174.561 176.094 -0.137 0.000 1.035 368 V CA -2.685 59.526 62.300 -0.147 0.000 0.896 368 V CB 1.060 32.680 31.823 -0.338 0.000 0.986 368 V HN -0.499 7.527 8.190 -0.038 0.141 0.447 369 E N 4.453 124.592 120.200 -0.102 0.000 2.133 369 E HA 0.572 nan 4.350 nan 0.000 0.274 369 E C -2.298 174.242 176.600 -0.101 0.000 0.930 369 E CA -3.725 52.625 56.400 -0.083 0.000 0.770 369 E CB 0.432 30.106 29.700 -0.043 0.000 1.104 369 E HN 0.579 8.889 8.360 -0.083 0.000 0.403 370 P HA 0.259 nan 4.420 nan 0.000 0.276 370 P C -1.143 175.932 177.300 -0.377 0.000 1.235 370 P CA -0.408 62.567 63.100 -0.207 0.000 0.772 370 P CB 0.552 32.057 31.700 -0.326 0.000 0.871 371 I N 4.548 124.996 120.570 -0.204 0.000 2.342 371 I HA 0.043 nan 4.170 nan 0.000 0.291 371 I C -1.182 174.848 176.117 -0.146 0.000 1.010 371 I CA -0.211 61.002 61.300 -0.144 0.000 1.308 371 I CB 1.236 39.219 38.000 -0.029 0.000 1.400 371 I HN 0.955 9.029 8.210 -0.045 0.108 0.488 372 Y N 5.394 125.726 120.300 0.053 0.000 2.509 372 Y HA 0.474 nan 4.550 nan 0.000 0.341 372 Y C -0.994 174.897 175.900 -0.016 0.000 1.038 372 Y CA -2.098 56.009 58.100 0.012 0.000 1.089 372 Y CB 2.364 40.807 38.460 -0.028 0.000 1.241 372 Y HN 0.218 8.546 8.280 0.079 0.000 0.468 373 E N 2.735 123.027 120.200 0.153 0.000 2.155 373 E HA 0.349 nan 4.350 nan 0.000 0.264 373 E C -0.980 175.611 176.600 -0.015 0.000 0.886 373 E CA -1.341 55.094 56.400 0.058 0.000 0.752 373 E CB 2.873 32.604 29.700 0.052 0.000 1.133 373 E HN 0.168 8.639 8.360 0.184 0.000 0.414 374 T N 5.738 120.264 114.554 -0.047 0.000 2.913 374 T HA 0.526 nan 4.350 nan 0.000 0.287 374 T C -0.642 174.002 174.700 -0.093 0.000 1.008 374 T CA 0.250 62.271 62.100 -0.131 0.000 1.067 374 T CB 0.880 69.675 68.868 -0.122 0.000 0.996 374 T HN 0.404 8.634 8.240 -0.017 0.000 0.513 375 M N 1.417 120.935 119.600 -0.136 0.000 2.484 375 M HA 0.430 nan 4.480 nan 0.000 0.289 375 M C -2.952 173.289 176.300 -0.099 0.000 1.206 375 M CA -2.160 53.099 55.300 -0.069 0.000 0.892 375 M CB 3.713 36.312 32.600 -0.002 0.000 1.712 375 M HN 0.646 8.798 8.290 -0.231 0.000 0.462 376 P HA 0.134 nan 4.420 nan 0.000 0.269 376 P C -1.454 175.827 177.300 -0.031 0.000 1.209 376 P CA 0.150 63.228 63.100 -0.036 0.000 0.776 376 P CB 0.371 32.081 31.700 0.017 0.000 0.876 377 G N 0.572 109.297 108.800 -0.125 0.000 2.543 377 G HA2 0.381 nan 3.960 nan 0.000 0.267 377 G HA3 0.381 nan 3.960 nan 0.000 0.267 377 G C -2.105 172.812 174.900 0.028 0.000 1.406 377 G CA -0.621 44.312 45.100 -0.279 0.000 1.048 377 G HN 0.425 8.553 8.290 -0.143 0.076 0.548 378 W N -4.203 117.064 121.300 -0.056 0.000 2.900 378 W HA 0.425 nan 4.660 nan 0.000 0.336 378 W C -0.171 176.342 176.519 -0.010 0.000 1.064 378 W CA -1.645 55.687 57.345 -0.022 0.000 1.237 378 W CB 1.273 30.732 29.460 -0.000 0.000 1.391 378 W HN -0.381 7.197 8.180 -1.003 0.000 0.468 379 S N 3.175 118.959 115.700 0.140 0.000 2.436 379 S HA -0.190 nan 4.470 nan 0.000 0.228 379 S C 0.174 174.864 174.600 0.150 0.000 1.014 379 S CA 2.068 60.316 58.200 0.080 0.000 0.950 379 S CB -0.105 63.123 63.200 0.047 0.000 0.784 379 S HN 0.444 8.844 8.310 0.150 0.000 0.504 380 E N 0.851 121.179 120.200 0.214 0.000 2.408 380 E HA -0.022 nan 4.350 nan 0.000 0.259 380 E C -1.175 175.586 176.600 0.268 0.000 1.110 380 E CA 0.310 56.826 56.400 0.193 0.000 0.929 380 E CB 0.610 30.397 29.700 0.144 0.000 0.971 380 E HN -0.441 8.039 8.360 0.239 0.023 0.438 381 S N -0.505 115.313 115.700 0.197 0.000 2.537 381 S HA -0.018 nan 4.470 nan 0.000 0.275 381 S C -0.443 174.274 174.600 0.194 0.000 1.272 381 S CA -0.239 58.096 58.200 0.226 0.000 1.050 381 S CB 0.436 63.751 63.200 0.191 0.000 0.961 381 S HN -0.069 8.330 8.310 0.149 0.000 0.496 382 T N 8.376 123.073 114.554 0.238 0.000 3.000 382 T HA 0.163 nan 4.350 nan 0.000 0.248 382 T C -0.066 174.717 174.700 0.138 0.000 1.034 382 T CA 0.526 62.711 62.100 0.140 0.000 1.060 382 T CB 0.857 69.835 68.868 0.184 0.000 0.983 382 T HN 0.918 9.974 8.240 0.326 -0.620 0.482 383 F N 1.867 121.883 119.950 0.110 0.000 2.629 383 F HA -0.495 nan 4.527 nan 0.000 0.369 383 F C 1.592 177.427 175.800 0.059 0.000 1.125 383 F CA 1.603 59.654 58.000 0.085 0.000 1.330 383 F CB 0.681 39.731 39.000 0.082 0.000 1.071 383 F HN -0.591 8.175 8.300 0.390 -0.231 0.595 384 G N 5.993 114.371 108.800 -0.704 0.000 2.412 384 G HA2 -0.528 nan 3.960 nan 0.000 0.252 384 G HA3 -0.528 nan 3.960 nan 0.000 0.252 384 G C -0.804 174.022 174.900 -0.123 0.000 1.038 384 G CA 1.015 45.942 45.100 -0.289 0.000 0.628 384 G HN 0.232 7.647 8.290 -1.457 0.000 0.531 385 V N 2.900 122.774 119.914 -0.067 0.000 2.752 385 V HA -0.303 nan 4.120 nan 0.000 0.306 385 V C 0.487 176.546 176.094 -0.059 0.000 1.099 385 V CA 1.578 63.855 62.300 -0.038 0.000 1.240 385 V CB -0.112 31.696 31.823 -0.025 0.000 0.887 385 V HN -0.585 7.468 8.190 -0.042 0.112 0.499 386 K N 3.206 123.584 120.400 -0.037 0.000 2.501 386 K HA 0.223 nan 4.320 nan 0.000 0.204 386 K C -1.962 174.623 176.600 -0.026 0.000 1.067 386 K CA -0.591 55.675 56.287 -0.036 0.000 1.060 386 K CB 1.234 33.718 32.500 -0.028 0.000 0.873 386 K HN 0.182 8.418 8.250 -0.024 0.000 0.540 387 D N -1.754 118.630 120.400 -0.025 0.000 2.977 387 D HA 0.139 nan 4.640 nan 0.000 0.220 387 D C -0.827 175.457 176.300 -0.027 0.000 1.267 387 D CA -1.050 52.937 54.000 -0.021 0.000 0.884 387 D CB 2.290 43.081 40.800 -0.014 0.000 1.667 387 D HN -0.795 7.558 8.370 -0.028 0.000 0.536 388 R N 3.374 123.858 120.500 -0.028 0.000 2.369 388 R HA -0.050 nan 4.340 nan 0.000 0.200 388 R C -0.194 176.084 176.300 -0.036 0.000 1.046 388 R CA 1.830 57.908 56.100 -0.036 0.000 1.057 388 R CB -0.390 29.889 30.300 -0.035 0.000 0.888 388 R HN 0.455 8.711 8.270 -0.023 0.000 0.474 389 S N 0.174 115.858 115.700 -0.027 0.000 2.456 389 S HA 0.025 nan 4.470 nan 0.000 0.224 389 S C 1.414 175.998 174.600 -0.025 0.000 1.035 389 S CA 1.751 59.937 58.200 -0.024 0.000 0.940 389 S CB 0.296 63.487 63.200 -0.014 0.000 0.799 389 S HN -0.419 8.007 8.310 -0.023 -0.130 0.508 390 G N 0.967 109.752 108.800 -0.024 0.000 2.708 390 G HA2 -0.204 nan 3.960 nan 0.000 0.210 390 G HA3 -0.204 nan 3.960 nan 0.000 0.210 390 G C -0.800 174.079 174.900 -0.035 0.000 1.141 390 G CA 0.856 45.944 45.100 -0.019 0.000 0.788 390 G HN -0.479 7.703 8.290 -0.023 0.094 0.531 391 L N 0.115 121.301 121.223 -0.061 0.000 2.307 391 L HA 0.245 nan 4.340 nan 0.000 0.282 391 L C -1.710 175.086 176.870 -0.123 0.000 1.051 391 L CA -2.927 51.846 54.840 -0.112 0.000 0.804 391 L CB 0.808 42.782 42.059 -0.142 0.000 1.197 391 L HN -0.744 7.367 8.230 -0.056 0.086 0.431 392 P HA 0.027 nan 4.420 nan 0.000 0.268 392 P C 0.229 177.451 177.300 -0.130 0.000 1.205 392 P CA -0.634 62.396 63.100 -0.118 0.000 0.771 392 P CB 0.774 32.421 31.700 -0.088 0.000 0.858 393 Q N 3.113 122.880 119.800 -0.055 0.000 2.268 393 Q HA -0.423 nan 4.340 nan 0.000 0.210 393 Q C 0.546 176.531 176.000 -0.024 0.000 0.988 393 Q CA 3.121 58.903 55.803 -0.034 0.000 0.883 393 Q CB -1.134 27.602 28.738 -0.003 0.000 0.911 393 Q HN 0.673 8.926 8.270 -0.029 0.000 0.430 394 A N -3.944 118.878 122.820 0.003 0.000 1.873 394 A HA -0.108 nan 4.320 nan 0.000 0.215 394 A C 1.578 179.144 177.584 -0.030 0.000 1.186 394 A CA 1.970 54.067 52.037 0.100 0.000 0.616 394 A CB -0.388 18.788 19.000 0.294 0.000 0.823 394 A HN 0.095 8.231 8.150 0.013 0.021 0.442 395 A N -0.816 121.712 122.820 -0.487 0.000 1.845 395 A HA -0.149 nan 4.320 nan 0.000 0.215 395 A C 0.640 178.028 177.584 -0.327 0.000 1.195 395 A CA 2.635 54.076 52.037 -0.993 0.000 0.616 395 A CB -0.210 18.049 19.000 -1.234 0.000 0.832 395 A HN -0.551 7.266 8.150 -0.425 0.079 0.443 396 L N -4.630 116.462 121.223 -0.219 0.000 2.391 396 L HA -0.168 nan 4.340 nan 0.000 0.249 396 L C -0.895 175.950 176.870 -0.041 0.000 1.308 396 L CA 0.253 55.032 54.840 -0.102 0.000 1.209 396 L CB -2.940 39.067 42.059 -0.087 0.000 1.401 396 L HN -0.086 7.993 8.230 -0.251 0.000 0.416 397 N N 0.534 119.239 118.700 0.008 0.000 2.439 397 N HA -0.042 nan 4.740 nan 0.000 0.318 397 N C 0.735 176.317 175.510 0.119 0.000 0.676 397 N CA 1.412 54.495 53.050 0.053 0.000 0.624 397 N CB 1.628 40.155 38.487 0.066 0.000 2.376 397 N HN 0.037 8.439 8.380 0.015 -0.013 1.245 398 Y N 3.115 123.425 120.300 0.016 0.000 2.114 398 Y HA -0.324 nan 4.550 nan 0.000 0.284 398 Y C 1.274 177.192 175.900 0.030 0.000 1.143 398 Y CA 3.348 61.490 58.100 0.069 0.000 1.135 398 Y CB 0.259 38.832 38.460 0.188 0.000 0.980 398 Y HN -0.416 8.004 8.280 0.233 0.000 0.499 399 I N -2.389 118.155 120.570 -0.044 0.000 2.145 399 I HA -0.627 nan 4.170 nan 0.000 0.244 399 I C 2.283 178.341 176.117 -0.098 0.000 1.075 399 I CA 3.854 65.073 61.300 -0.133 0.000 1.332 399 I CB -1.254 36.706 38.000 -0.068 0.000 1.033 399 I HN 0.220 8.477 8.210 0.079 0.000 0.410 400 K N -2.070 118.306 120.400 -0.039 0.000 2.148 400 K HA -0.299 nan 4.320 nan 0.000 0.204 400 K C 2.674 179.263 176.600 -0.019 0.000 1.050 400 K CA 3.530 59.806 56.287 -0.019 0.000 0.942 400 K CB -0.665 31.834 32.500 -0.002 0.000 0.724 400 K HN 0.108 8.257 8.250 -0.018 0.091 0.446 401 R N -0.561 119.927 120.500 -0.019 0.000 2.115 401 R HA -0.201 nan 4.340 nan 0.000 0.226 401 R C 2.496 178.768 176.300 -0.047 0.000 1.100 401 R CA 2.728 58.822 56.100 -0.010 0.000 0.980 401 R CB -0.318 30.002 30.300 0.033 0.000 0.875 401 R HN -0.279 7.888 8.270 -0.007 0.099 0.445 402 I N 0.168 120.663 120.570 -0.125 0.000 2.142 402 I HA -0.544 nan 4.170 nan 0.000 0.240 402 I C 2.018 178.116 176.117 -0.032 0.000 1.078 402 I CA 4.326 65.542 61.300 -0.140 0.000 1.343 402 I CB -0.577 37.257 38.000 -0.275 0.000 1.046 402 I HN 0.104 8.207 8.210 -0.179 0.000 0.405 403 E N 0.149 120.344 120.200 -0.009 0.000 2.049 403 E HA -0.464 nan 4.350 nan 0.000 0.198 403 E C 2.499 179.121 176.600 0.036 0.000 1.007 403 E CA 3.708 60.137 56.400 0.048 0.000 0.809 403 E CB -0.403 29.314 29.700 0.029 0.000 0.749 403 E HN -0.197 8.135 8.360 -0.046 0.000 0.450 404 E N -1.498 118.710 120.200 0.013 0.000 2.204 404 E HA -0.268 nan 4.350 nan 0.000 0.195 404 E C 2.276 178.884 176.600 0.013 0.000 0.990 404 E CA 2.524 58.931 56.400 0.011 0.000 0.821 404 E CB -0.120 29.584 29.700 0.007 0.000 0.750 404 E HN 0.022 8.270 8.360 0.002 0.114 0.477 405 L N -2.869 118.361 121.223 0.013 0.000 2.249 405 L HA -0.001 nan 4.340 nan 0.000 0.207 405 L C 1.979 178.866 176.870 0.028 0.000 1.090 405 L CA 2.073 56.920 54.840 0.013 0.000 0.802 405 L CB 0.849 42.912 42.059 0.006 0.000 0.947 405 L HN 0.011 8.026 8.230 0.006 0.219 0.453 406 T N -5.080 109.513 114.554 0.064 0.000 3.044 406 T HA 0.100 nan 4.350 nan 0.000 0.255 406 T C 1.495 176.239 174.700 0.072 0.000 1.073 406 T CA 1.410 63.581 62.100 0.119 0.000 1.125 406 T CB 0.642 69.710 68.868 0.333 0.000 0.908 406 T HN 0.312 8.591 8.240 0.065 0.000 0.480 407 G N 2.174 111.004 108.800 0.051 0.000 2.160 407 G HA2 -0.380 nan 3.960 nan 0.000 0.244 407 G HA3 -0.380 nan 3.960 nan 0.000 0.244 407 G C -1.171 173.716 174.900 -0.021 0.000 1.022 407 G CA 0.339 45.443 45.100 0.007 0.000 0.741 407 G HN 0.242 8.463 8.290 0.060 0.105 0.508 408 V N 0.328 120.248 119.914 0.009 0.000 2.709 408 V HA 0.367 nan 4.120 nan 0.000 0.308 408 V C -2.614 173.486 176.094 0.010 0.000 1.062 408 V CA -2.951 59.289 62.300 -0.100 0.000 0.901 408 V CB 3.188 34.759 31.823 -0.420 0.000 1.003 408 V HN -0.536 7.694 8.190 0.106 0.024 0.425 409 P HA 0.255 nan 4.420 nan 0.000 0.278 409 P C -1.422 175.938 177.300 0.100 0.000 1.258 409 P CA -1.714 61.411 63.100 0.042 0.000 0.811 409 P CB 1.585 33.295 31.700 0.016 0.000 1.063 410 I N 0.404 121.045 120.570 0.118 0.000 2.287 410 I HA -0.026 nan 4.170 nan 0.000 0.290 410 I C -0.415 175.751 176.117 0.083 0.000 1.069 410 I CA 0.196 61.580 61.300 0.140 0.000 1.237 410 I CB -0.379 37.680 38.000 0.098 0.000 1.418 410 I HN -0.217 8.328 8.210 0.083 -0.285 0.481 411 D N 6.506 126.960 120.400 0.091 0.000 2.289 411 D HA 0.018 nan 4.640 nan 0.000 0.207 411 D C -0.814 175.505 176.300 0.032 0.000 0.966 411 D CA 1.767 55.803 54.000 0.060 0.000 0.868 411 D CB 1.336 42.187 40.800 0.085 0.000 0.943 411 D HN 0.324 8.765 8.370 0.120 0.000 0.514 412 I N -2.618 117.978 120.570 0.044 0.000 2.686 412 I HA 0.502 nan 4.170 nan 0.000 0.295 412 I C -2.249 173.884 176.117 0.027 0.000 1.114 412 I CA -0.561 60.752 61.300 0.021 0.000 1.038 412 I CB 4.499 42.506 38.000 0.012 0.000 1.238 412 I HN -0.729 7.525 8.210 0.074 0.000 0.420 413 I N 3.875 124.451 120.570 0.009 0.000 2.499 413 I HA 0.453 nan 4.170 nan 0.000 0.288 413 I C -1.895 174.219 176.117 -0.005 0.000 1.048 413 I CA -1.307 59.997 61.300 0.006 0.000 1.062 413 I CB 3.498 41.495 38.000 -0.005 0.000 1.238 413 I HN 0.689 8.899 8.210 -0.000 0.000 0.426 414 S N 6.315 122.016 115.700 0.002 0.000 2.429 414 S HA 0.533 nan 4.470 nan 0.000 0.302 414 S C -0.100 174.485 174.600 -0.025 0.000 1.115 414 S CA -1.754 56.437 58.200 -0.016 0.000 1.095 414 S CB 1.444 64.641 63.200 -0.004 0.000 0.987 414 S HN 0.972 9.183 8.310 0.017 0.109 0.474 415 T N 2.801 117.302 114.554 -0.089 0.000 3.092 415 T HA 0.476 nan 4.350 nan 0.000 0.258 415 T C -0.576 173.906 174.700 -0.362 0.000 1.031 415 T CA -1.844 60.170 62.100 -0.145 0.000 0.925 415 T CB 0.376 69.148 68.868 -0.159 0.000 1.036 415 T HN 0.176 8.351 8.240 -0.108 0.000 0.544 416 G N 0.206 108.820 108.800 -0.309 0.000 2.322 416 G HA2 0.254 nan 3.960 nan 0.000 0.295 416 G HA3 0.254 nan 3.960 nan 0.000 0.295 416 G C -2.740 172.092 174.900 -0.113 0.000 1.369 416 G CA 0.426 45.273 45.100 -0.422 0.000 0.821 416 G HN -0.908 7.227 8.290 -0.172 0.051 0.536 417 P HA -0.018 nan 4.420 nan 0.000 0.227 417 P C -0.832 176.480 177.300 0.020 0.000 1.161 417 P CA 0.343 63.471 63.100 0.046 0.000 0.788 417 P CB 0.626 32.386 31.700 0.101 0.000 0.822 418 D N 0.360 120.768 120.400 0.014 0.000 2.423 418 D HA -0.093 nan 4.640 nan 0.000 0.238 418 D C 1.863 178.156 176.300 -0.011 0.000 1.142 418 D CA 0.170 54.176 54.000 0.011 0.000 0.884 418 D CB 1.939 42.750 40.800 0.018 0.000 1.199 418 D HN -0.459 8.214 8.370 0.010 -0.298 0.438 419 R N 4.748 125.249 120.500 0.003 0.000 2.105 419 R HA -0.254 nan 4.340 nan 0.000 0.239 419 R C 1.238 177.532 176.300 -0.010 0.000 1.135 419 R CA 2.287 58.388 56.100 0.002 0.000 0.967 419 R CB -0.002 30.307 30.300 0.015 0.000 0.861 419 R HN 0.486 8.764 8.270 0.013 0.000 0.442 420 T N -6.031 108.516 114.554 -0.012 0.000 3.118 420 T HA 0.002 nan 4.350 nan 0.000 0.260 420 T C 1.138 175.812 174.700 -0.044 0.000 1.139 420 T CA 1.168 63.257 62.100 -0.018 0.000 1.085 420 T CB -0.367 68.497 68.868 -0.007 0.000 0.934 420 T HN 0.111 8.848 8.240 -0.004 -0.499 0.518 421 E N 2.487 122.644 120.200 -0.072 0.000 2.122 421 E HA 0.142 nan 4.350 nan 0.000 0.288 421 E C -1.607 174.931 176.600 -0.102 0.000 1.260 421 E CA -0.866 55.455 56.400 -0.131 0.000 1.344 421 E CB -1.225 28.329 29.700 -0.244 0.000 1.337 421 E HN -0.254 7.873 8.360 -0.060 0.197 0.484 422 T N 1.434 115.949 114.554 -0.065 0.000 2.982 422 T HA 0.432 nan 4.350 nan 0.000 0.321 422 T C -1.555 173.125 174.700 -0.033 0.000 1.229 422 T CA -0.517 61.557 62.100 -0.043 0.000 1.044 422 T CB 2.680 71.533 68.868 -0.026 0.000 1.184 422 T HN -0.214 7.933 8.240 -0.057 0.059 0.477 423 M N 4.492 124.075 119.600 -0.027 0.000 2.190 423 M HA 0.386 nan 4.480 nan 0.000 0.312 423 M C -1.538 174.752 176.300 -0.016 0.000 0.990 423 M CA -0.801 54.486 55.300 -0.022 0.000 0.927 423 M CB 3.766 36.352 32.600 -0.024 0.000 1.571 423 M HN 0.887 9.162 8.290 -0.025 0.000 0.427 424 I N 4.150 124.711 120.570 -0.016 0.000 2.310 424 I HA 0.086 nan 4.170 nan 0.000 0.287 424 I C -0.149 175.957 176.117 -0.017 0.000 1.073 424 I CA -0.202 61.087 61.300 -0.019 0.000 1.216 424 I CB -0.476 37.509 38.000 -0.024 0.000 1.415 424 I HN 0.511 8.711 8.210 -0.015 0.000 0.480 425 L N 7.649 128.865 121.223 -0.012 0.000 2.141 425 L HA -0.222 nan 4.340 nan 0.000 0.209 425 L C 0.835 177.698 176.870 -0.012 0.000 1.094 425 L CA 2.733 57.569 54.840 -0.008 0.000 0.763 425 L CB 0.145 42.205 42.059 0.001 0.000 0.908 425 L HN 0.913 9.047 8.230 -0.008 0.092 0.437 426 R N -2.206 118.279 120.500 -0.025 0.000 2.610 426 R HA 0.059 nan 4.340 nan 0.000 0.171 426 R C -0.881 175.369 176.300 -0.084 0.000 0.892 426 R CA -0.211 55.865 56.100 -0.039 0.000 1.086 426 R CB 2.560 32.848 30.300 -0.021 0.000 1.320 426 R HN -0.570 7.663 8.270 -0.028 0.020 0.582 427 D N -1.471 118.844 120.400 -0.142 0.000 3.716 427 D HA 0.033 nan 4.640 nan 0.000 0.220 427 D C -2.093 173.967 176.300 -0.401 0.000 1.213 427 D CA -0.170 53.706 54.000 -0.206 0.000 0.781 427 D CB 0.390 41.127 40.800 -0.106 0.000 0.506 427 D HN -0.087 8.205 8.370 -0.130 0.000 0.222 428 P HA -0.223 nan 4.420 nan 0.000 0.218 428 P C -0.396 176.377 177.300 -0.879 0.000 1.150 428 P CA 2.208 64.538 63.100 -1.284 0.000 0.841 428 P CB 0.126 31.085 31.700 -1.234 0.000 0.784 429 F N -3.758 115.891 119.950 -0.501 0.000 2.259 429 F HA -0.153 nan 4.527 nan 0.000 0.298 429 F C 1.470 177.079 175.800 -0.318 0.000 1.088 429 F CA 2.456 60.119 58.000 -0.560 0.000 1.358 429 F CB -0.087 38.318 39.000 -0.991 0.000 1.040 429 F HN -0.454 7.627 8.300 -0.589 -0.135 0.505 430 D N -1.831 118.535 120.400 -0.056 0.000 2.271 430 D HA -0.066 nan 4.640 nan 0.000 0.206 430 D C 0.582 176.877 176.300 -0.007 0.000 0.967 430 D CA 0.733 54.742 54.000 0.014 0.000 0.867 430 D CB 0.185 40.994 40.800 0.016 0.000 0.960 430 D HN -0.445 7.909 8.370 -0.123 -0.058 0.509 431 A N 0.000 122.770 122.820 -0.083 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 431 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 431 A HN 0.000 8.039 8.150 -0.184 0.000 0.486