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 1hop_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 -0.001 0.000 0.244 1 G C 0.000 175.119 174.900 0.365 0.000 0.946 1 G CA 0.000 45.215 45.100 0.191 0.000 0.502 2 N N -2.355 116.606 118.700 0.436 0.000 2.460 2 N HA 0.145 nan 4.740 nan 0.000 0.193 2 N C -0.674 175.165 175.510 0.548 0.000 1.080 2 N CA 0.431 53.886 53.050 0.675 0.000 0.869 2 N CB 2.633 41.414 38.487 0.491 0.000 1.201 2 N HN -0.197 8.610 8.380 0.330 -0.229 0.457 3 N N 0.976 119.913 118.700 0.395 0.000 2.527 3 N HA 0.324 nan 4.740 nan 0.000 0.236 3 N C -2.131 173.580 175.510 0.334 0.000 0.999 3 N CA 0.033 53.348 53.050 0.442 0.000 0.935 3 N CB 0.590 39.329 38.487 0.420 0.000 1.132 3 N HN -0.656 8.174 8.380 0.332 -0.251 0.511 4 V N 4.804 124.890 119.914 0.286 0.000 2.459 4 V HA 0.671 nan 4.120 nan 0.000 0.295 4 V C -1.217 175.019 176.094 0.237 0.000 1.029 4 V CA -1.120 61.248 62.300 0.113 0.000 0.874 4 V CB 2.319 33.920 31.823 -0.369 0.000 0.985 4 V HN 0.578 8.979 8.190 0.351 0.000 0.438 5 V N 7.038 127.061 119.914 0.182 0.000 2.427 5 V HA 0.677 nan 4.120 nan 0.000 0.286 5 V C -1.202 174.971 176.094 0.132 0.000 1.034 5 V CA -1.079 61.314 62.300 0.154 0.000 0.893 5 V CB 0.768 32.590 31.823 -0.001 0.000 0.982 5 V HN 1.004 9.173 8.190 0.152 0.112 0.452 6 V N 5.969 125.985 119.914 0.170 0.000 2.540 6 V HA 0.996 nan 4.120 nan 0.000 0.302 6 V C -1.693 174.501 176.094 0.166 0.000 1.035 6 V CA -1.465 60.923 62.300 0.147 0.000 0.873 6 V CB 0.797 32.701 31.823 0.134 0.000 0.992 6 V HN 0.614 8.943 8.190 0.232 0.000 0.428 7 L N 0.538 121.837 121.223 0.127 0.000 2.947 7 L HA 0.737 nan 4.340 nan 0.000 0.267 7 L C -1.853 175.070 176.870 0.089 0.000 1.004 7 L CA -0.407 54.506 54.840 0.122 0.000 0.937 7 L CB 3.111 45.257 42.059 0.145 0.000 1.496 7 L HN 0.496 8.791 8.230 0.107 0.000 0.409 8 G N -2.281 106.561 108.800 0.069 0.000 2.415 8 G HA2 0.271 nan 3.960 nan 0.000 0.269 8 G HA3 0.271 nan 3.960 nan 0.000 0.269 8 G C -0.701 174.208 174.900 0.016 0.000 1.209 8 G CA -0.435 44.690 45.100 0.041 0.000 0.835 8 G HN 0.498 8.832 8.290 0.074 0.000 0.534 9 T N -1.942 112.614 114.554 0.004 0.000 3.069 9 T HA 0.271 nan 4.350 nan 0.000 0.252 9 T C 0.195 174.800 174.700 -0.158 0.000 1.053 9 T CA 0.046 62.132 62.100 -0.023 0.000 0.964 9 T CB -0.278 68.637 68.868 0.079 0.000 1.005 9 T HN -0.008 8.240 8.240 0.013 0.000 0.532 10 Q N -0.074 119.598 119.800 -0.214 0.000 3.062 10 Q HA 0.265 nan 4.340 nan 0.000 0.214 10 Q C -0.372 175.311 176.000 -0.530 0.000 1.160 10 Q CA 0.426 55.958 55.803 -0.452 0.000 0.318 10 Q CB 2.268 30.834 28.738 -0.288 0.000 5.730 10 Q HN -0.075 8.457 8.270 -0.129 -0.340 0.318 11 W N -3.972 117.279 121.300 -0.082 0.000 2.467 11 W HA 0.260 nan 4.660 nan 0.000 0.369 11 W C 0.013 176.484 176.519 -0.080 0.000 0.938 11 W CA -0.319 56.968 57.345 -0.096 0.000 1.845 11 W CB 1.214 30.570 29.460 -0.172 0.000 1.167 11 W HN 0.286 8.490 8.180 0.039 0.000 0.558 12 G N -0.738 108.112 108.800 0.083 0.000 2.434 12 G HA2 -0.236 nan 3.960 nan 0.000 0.671 12 G HA3 -0.236 nan 3.960 nan 0.000 0.671 12 G C -1.868 173.048 174.900 0.026 0.000 1.280 12 G CA -0.596 44.534 45.100 0.051 0.000 0.975 12 G HN -0.555 8.058 8.290 0.029 -0.306 0.510 13 D N -3.609 116.798 120.400 0.012 0.000 2.911 13 D HA -0.444 nan 4.640 nan 0.000 0.227 13 D C 0.539 176.821 176.300 -0.030 0.000 1.164 13 D CA 1.641 55.638 54.000 -0.006 0.000 0.782 13 D CB -0.462 40.333 40.800 -0.008 0.000 1.094 13 D HN 0.326 8.707 8.370 0.018 0.000 0.425 14 E N -1.315 118.873 120.200 -0.020 0.000 2.418 14 E HA -0.136 nan 4.350 nan 0.000 0.197 14 E C 0.885 177.473 176.600 -0.020 0.000 1.026 14 E CA 0.957 57.337 56.400 -0.032 0.000 0.862 14 E CB -0.266 29.427 29.700 -0.011 0.000 0.799 14 E HN 0.245 8.566 8.360 -0.003 0.038 0.518 15 G N -2.421 106.373 108.800 -0.010 0.000 2.291 15 G HA2 -0.324 nan 3.960 nan 0.000 0.271 15 G HA3 -0.324 nan 3.960 nan 0.000 0.271 15 G C 0.551 175.453 174.900 0.003 0.000 1.099 15 G CA 0.189 45.285 45.100 -0.006 0.000 0.919 15 G HN 0.041 8.276 8.290 -0.008 0.050 0.496 16 K N 0.542 120.949 120.400 0.012 0.000 2.103 16 K HA -0.188 nan 4.320 nan 0.000 0.204 16 K C 1.647 178.268 176.600 0.035 0.000 1.052 16 K CA 1.882 58.194 56.287 0.042 0.000 0.945 16 K CB -0.231 32.313 32.500 0.073 0.000 0.722 16 K HN 0.076 8.332 8.250 0.010 0.000 0.443 17 G N -1.447 107.321 108.800 -0.053 0.000 2.503 17 G HA2 -0.364 nan 3.960 nan 0.000 0.221 17 G HA3 -0.364 nan 3.960 nan 0.000 0.221 17 G C 1.037 175.884 174.900 -0.089 0.000 1.131 17 G CA 1.938 46.900 45.100 -0.230 0.000 0.756 17 G HN 0.448 8.697 8.290 -0.069 0.000 0.572 18 K N 0.820 121.195 120.400 -0.042 0.000 2.007 18 K HA -0.195 nan 4.320 nan 0.000 0.206 18 K C 2.254 178.878 176.600 0.039 0.000 1.047 18 K CA 2.806 59.091 56.287 -0.003 0.000 0.937 18 K CB -0.121 32.372 32.500 -0.012 0.000 0.718 18 K HN -0.321 7.878 8.250 -0.046 0.024 0.438 19 I N -0.993 119.603 120.570 0.044 0.000 2.226 19 I HA -0.403 nan 4.170 nan 0.000 0.245 19 I C 1.894 178.061 176.117 0.084 0.000 1.100 19 I CA 3.250 64.584 61.300 0.056 0.000 1.374 19 I CB -0.571 37.462 38.000 0.054 0.000 1.057 19 I HN -0.666 7.565 8.210 0.036 0.000 0.413 20 V N 1.042 121.028 119.914 0.120 0.000 2.215 20 V HA -0.641 nan 4.120 nan 0.000 0.246 20 V C 1.762 177.942 176.094 0.143 0.000 1.047 20 V CA 5.087 67.481 62.300 0.157 0.000 0.999 20 V CB -1.256 30.717 31.823 0.251 0.000 0.635 20 V HN -0.062 8.198 8.190 0.116 0.000 0.450 21 D N -1.223 119.287 120.400 0.182 0.000 2.191 21 D HA -0.381 nan 4.640 nan 0.000 0.195 21 D C 2.500 178.848 176.300 0.080 0.000 1.003 21 D CA 2.967 57.043 54.000 0.125 0.000 0.867 21 D CB -0.659 40.222 40.800 0.135 0.000 0.926 21 D HN -0.573 7.957 8.370 0.266 0.000 0.450 22 L N -0.750 120.517 121.223 0.074 0.000 2.017 22 L HA -0.227 nan 4.340 nan 0.000 0.208 22 L C 2.139 179.049 176.870 0.068 0.000 1.073 22 L CA 2.747 57.620 54.840 0.055 0.000 0.745 22 L CB -0.163 41.922 42.059 0.042 0.000 0.894 22 L HN -0.466 7.734 8.230 0.081 0.078 0.432 23 L N -2.844 118.436 121.223 0.096 0.000 2.313 23 L HA -0.261 nan 4.340 nan 0.000 0.214 23 L C 2.129 179.101 176.870 0.171 0.000 1.119 23 L CA 2.441 57.384 54.840 0.171 0.000 0.809 23 L CB -0.487 41.674 42.059 0.171 0.000 0.933 23 L HN 0.392 8.493 8.230 0.091 0.183 0.449 24 T N -0.966 113.648 114.554 0.100 0.000 3.155 24 T HA -0.183 nan 4.350 nan 0.000 0.264 24 T C 0.733 175.434 174.700 0.002 0.000 1.160 24 T CA 2.669 64.798 62.100 0.049 0.000 1.075 24 T CB -1.250 67.640 68.868 0.037 0.000 0.921 24 T HN 0.037 8.219 8.240 0.097 0.116 0.533 25 E N -0.446 119.756 120.200 0.002 0.000 2.340 25 E HA -0.006 nan 4.350 nan 0.000 0.194 25 E C 0.960 177.525 176.600 -0.059 0.000 0.996 25 E CA 1.359 57.746 56.400 -0.021 0.000 0.869 25 E CB 0.589 30.288 29.700 -0.003 0.000 0.835 25 E HN -0.540 7.753 8.360 0.029 0.084 0.493 26 R N -2.696 117.740 120.500 -0.105 0.000 2.397 26 R HA 0.075 nan 4.340 nan 0.000 0.241 26 R C -0.754 175.282 176.300 -0.440 0.000 0.914 26 R CA -0.379 55.590 56.100 -0.218 0.000 1.071 26 R CB 1.243 31.401 30.300 -0.238 0.000 1.116 26 R HN -0.651 7.578 8.270 -0.069 0.000 0.524 27 A N -1.727 120.853 122.820 -0.400 0.000 2.305 27 A HA 0.237 nan 4.320 nan 0.000 0.322 27 A C -0.849 176.625 177.584 -0.182 0.000 1.187 27 A CA -0.649 51.167 52.037 -0.368 0.000 0.825 27 A CB 1.389 20.291 19.000 -0.162 0.000 1.164 27 A HN -0.642 7.372 8.150 -0.226 0.000 0.498 28 K N 4.703 124.987 120.400 -0.193 0.000 2.166 28 K HA -0.019 nan 4.320 nan 0.000 0.201 28 K C -0.894 175.497 176.600 -0.348 0.000 1.052 28 K CA 0.861 56.951 56.287 -0.328 0.000 0.969 28 K CB 1.317 33.507 32.500 -0.516 0.000 0.761 28 K HN 0.585 8.637 8.250 -0.144 0.112 0.459 29 Y N -4.756 115.510 120.300 -0.056 0.000 2.429 29 Y HA 0.570 nan 4.550 nan 0.000 0.342 29 Y C -1.404 174.440 175.900 -0.092 0.000 1.004 29 Y CA -1.204 56.855 58.100 -0.068 0.000 1.075 29 Y CB 3.038 41.452 38.460 -0.077 0.000 1.214 29 Y HN -0.576 7.678 8.280 -0.044 0.000 0.455 30 V N 1.251 121.215 119.914 0.084 0.000 2.588 30 V HA 0.678 nan 4.120 nan 0.000 0.304 30 V C -1.773 174.308 176.094 -0.022 0.000 1.042 30 V CA -0.975 61.326 62.300 0.001 0.000 0.877 30 V CB 2.031 33.863 31.823 0.015 0.000 0.996 30 V HN 0.592 8.856 8.190 0.123 0.000 0.425 31 V N 5.261 125.132 119.914 -0.071 0.000 2.531 31 V HA 0.691 nan 4.120 nan 0.000 0.301 31 V C -1.026 175.199 176.094 0.218 0.000 1.034 31 V CA -1.731 60.589 62.300 0.033 0.000 0.865 31 V CB 2.575 34.384 31.823 -0.023 0.000 0.995 31 V HN 0.783 8.891 8.190 -0.136 0.000 0.424 32 R N 5.535 126.142 120.500 0.179 0.000 2.297 32 R HA 0.529 nan 4.340 nan 0.000 0.308 32 R C -0.198 176.226 176.300 0.206 0.000 1.029 32 R CA -1.515 54.668 56.100 0.139 0.000 0.929 32 R CB 1.117 31.445 30.300 0.048 0.000 1.046 32 R HN 0.165 8.506 8.270 0.119 0.000 0.461 33 Y N 0.008 120.408 120.300 0.168 0.000 2.448 33 Y HA 0.240 nan 4.550 nan 0.000 0.257 33 Y C -1.939 174.042 175.900 0.135 0.000 1.089 33 Y CA -2.014 56.185 58.100 0.164 0.000 1.245 33 Y CB 1.481 40.057 38.460 0.194 0.000 1.282 33 Y HN 0.063 8.103 8.280 -0.401 0.000 0.529 34 Q N -3.874 115.662 119.800 -0.440 0.000 2.511 34 Q HA 0.226 nan 4.340 nan 0.000 0.289 34 Q C -0.086 175.872 176.000 -0.070 0.000 1.021 34 Q CA -1.124 54.573 55.803 -0.177 0.000 0.785 34 Q CB 2.612 31.223 28.738 -0.212 0.000 1.472 34 Q HN -0.738 7.155 8.270 -0.629 0.000 0.411 35 G N 1.436 110.303 108.800 0.112 0.000 2.539 35 G HA2 -0.435 nan 3.960 nan 0.000 0.256 35 G HA3 -0.435 nan 3.960 nan 0.000 0.256 35 G C -1.956 173.024 174.900 0.134 0.000 1.233 35 G CA 0.301 45.501 45.100 0.165 0.000 0.936 35 G HN -0.112 8.309 8.290 0.219 0.000 0.571 36 G N -0.626 108.236 108.800 0.104 0.000 2.896 36 G HA2 0.307 nan 3.960 nan 0.000 0.247 36 G HA3 0.307 nan 3.960 nan 0.000 0.247 36 G C -1.953 173.041 174.900 0.156 0.000 1.187 36 G CA -0.181 44.979 45.100 0.100 0.000 0.837 36 G HN -0.235 8.113 8.290 0.096 0.000 0.559 37 H N 0.312 119.373 119.070 -0.014 0.000 3.216 37 H HA -0.004 nan 4.556 nan 0.000 0.263 37 H C -0.697 174.604 175.328 -0.046 0.000 1.601 37 H CA -1.054 54.997 56.048 0.004 0.000 1.509 37 H CB -1.921 27.843 29.762 0.004 0.000 1.759 37 H HN 0.347 8.911 8.280 0.474 0.000 0.533 38 N N 1.482 120.203 118.700 0.034 0.000 2.425 38 N HA -0.045 nan 4.740 nan 0.000 0.237 38 N C -0.738 174.821 175.510 0.080 0.000 1.406 38 N CA -0.033 52.989 53.050 -0.048 0.000 1.198 38 N CB 0.343 38.763 38.487 -0.112 0.000 1.331 38 N HN -0.003 8.394 8.380 0.116 0.052 0.550 39 A N 1.402 124.319 122.820 0.162 0.000 1.902 39 A HA -0.149 nan 4.320 nan 0.000 0.217 39 A C 0.321 178.016 177.584 0.185 0.000 1.181 39 A CA 2.144 54.271 52.037 0.150 0.000 0.623 39 A CB -0.060 19.023 19.000 0.139 0.000 0.818 39 A HN -0.512 7.757 8.150 0.198 0.000 0.443 40 G N -2.610 106.375 108.800 0.307 0.000 2.415 40 G HA2 -0.316 nan 3.960 nan 0.000 0.283 40 G HA3 -0.316 nan 3.960 nan 0.000 0.283 40 G C -1.056 173.932 174.900 0.146 0.000 1.014 40 G CA 0.209 45.455 45.100 0.243 0.000 1.323 40 G HN -0.291 8.290 8.290 0.485 0.000 0.502 41 H N 2.894 121.957 119.070 -0.012 0.000 2.970 41 H HA 0.255 nan 4.556 nan 0.000 0.315 41 H C -1.911 173.386 175.328 -0.053 0.000 0.992 41 H CA -1.026 55.013 56.048 -0.015 0.000 1.363 41 H CB 2.187 31.950 29.762 0.002 0.000 1.532 41 H HN -0.290 8.041 8.280 0.085 0.000 0.514 42 T N 7.725 122.245 114.554 -0.057 0.000 2.889 42 T HA 0.506 nan 4.350 nan 0.000 0.291 42 T C -1.113 173.600 174.700 0.021 0.000 0.995 42 T CA -0.557 61.534 62.100 -0.016 0.000 1.092 42 T CB 0.343 69.186 68.868 -0.040 0.000 0.954 42 T HN 0.329 8.461 8.240 -0.180 0.000 0.506 43 L N 3.047 124.302 121.223 0.054 0.000 2.332 43 L HA 0.681 nan 4.340 nan 0.000 0.242 43 L C -2.019 174.869 176.870 0.030 0.000 1.127 43 L CA -1.794 53.083 54.840 0.062 0.000 0.948 43 L CB 2.044 44.168 42.059 0.109 0.000 1.553 43 L HN 0.749 8.890 8.230 0.032 0.108 0.419 44 V N -6.230 113.702 119.914 0.030 0.000 2.777 44 V HA 0.623 nan 4.120 nan 0.000 0.306 44 V C -1.412 174.693 176.094 0.018 0.000 1.112 44 V CA -0.492 61.819 62.300 0.019 0.000 0.917 44 V CB 1.828 33.661 31.823 0.017 0.000 1.018 44 V HN -0.242 7.971 8.190 0.038 0.000 0.426 45 I N 1.769 122.346 120.570 0.013 0.000 3.861 45 I HA 0.288 nan 4.170 nan 0.000 0.267 45 I C 0.408 176.529 176.117 0.008 0.000 0.933 45 I CA 0.261 61.567 61.300 0.010 0.000 2.302 45 I CB 2.212 40.217 38.000 0.007 0.000 1.574 45 I HN -0.164 8.052 8.210 0.011 0.000 0.472 46 N N 2.093 120.797 118.700 0.006 0.000 2.938 46 N HA -0.190 nan 4.740 nan 0.000 0.286 46 N C 0.895 176.409 175.510 0.006 0.000 1.316 46 N CA 0.154 53.207 53.050 0.005 0.000 1.063 46 N CB -0.960 37.529 38.487 0.004 0.000 1.388 46 N HN 0.063 8.446 8.380 0.005 0.000 0.545 47 G N -2.608 106.196 108.800 0.007 0.000 2.186 47 G HA2 -0.426 nan 3.960 nan 0.000 0.266 47 G HA3 -0.426 nan 3.960 nan 0.000 0.266 47 G C -1.450 173.455 174.900 0.008 0.000 0.982 47 G CA 0.898 46.003 45.100 0.008 0.000 0.670 47 G HN 0.578 8.781 8.290 0.008 0.092 0.533 48 E N -3.590 116.615 120.200 0.008 0.000 2.244 48 E HA 0.236 nan 4.350 nan 0.000 0.266 48 E C -2.131 174.474 176.600 0.009 0.000 0.914 48 E CA -2.910 53.495 56.400 0.008 0.000 0.794 48 E CB 2.563 32.267 29.700 0.007 0.000 1.210 48 E HN -0.422 7.870 8.360 0.008 0.072 0.414 49 K N 2.525 122.930 120.400 0.009 0.000 2.262 49 K HA 0.140 nan 4.320 nan 0.000 0.282 49 K C -1.091 175.512 176.600 0.004 0.000 1.066 49 K CA -0.543 55.749 56.287 0.008 0.000 0.901 49 K CB 0.560 33.066 32.500 0.009 0.000 1.089 49 K HN 0.195 8.451 8.250 0.009 0.000 0.476 50 T N 7.939 122.494 114.554 0.002 0.000 2.863 50 T HA 0.303 nan 4.350 nan 0.000 0.285 50 T C -1.963 172.722 174.700 -0.024 0.000 1.009 50 T CA -0.520 61.574 62.100 -0.009 0.000 0.989 50 T CB 2.724 71.589 68.868 -0.006 0.000 1.004 50 T HN -0.098 8.145 8.240 0.006 0.000 0.455 51 V N 3.954 123.829 119.914 -0.065 0.000 2.384 51 V HA 0.674 nan 4.120 nan 0.000 0.287 51 V C -0.746 175.185 176.094 -0.271 0.000 1.020 51 V CA -0.991 61.221 62.300 -0.147 0.000 0.850 51 V CB 0.451 32.168 31.823 -0.176 0.000 0.987 51 V HN 0.334 8.489 8.190 -0.058 0.000 0.436 52 L N 5.122 126.223 121.223 -0.204 0.000 2.379 52 L HA 0.421 nan 4.340 nan 0.000 0.269 52 L C -0.495 176.196 176.870 -0.297 0.000 1.084 52 L CA -0.752 53.978 54.840 -0.183 0.000 0.802 52 L CB 1.089 43.108 42.059 -0.067 0.000 1.175 52 L HN 0.536 8.712 8.230 -0.090 0.000 0.448 53 H N -1.775 117.330 119.070 0.060 0.000 3.734 53 H HA 0.194 nan 4.556 nan 0.000 0.253 53 H C 0.629 176.001 175.328 0.073 0.000 1.072 53 H CA 1.468 57.557 56.048 0.069 0.000 1.147 53 H CB 2.856 32.663 29.762 0.076 0.000 1.495 53 H HN 1.034 9.923 8.280 0.005 -0.605 0.588 54 L N -1.042 120.270 121.223 0.149 0.000 2.675 54 L HA 0.174 nan 4.340 nan 0.000 0.178 54 L C -1.155 175.736 176.870 0.034 0.000 1.135 54 L CA 0.306 55.198 54.840 0.087 0.000 0.855 54 L CB 2.182 44.278 42.059 0.062 0.000 1.235 54 L HN -0.838 7.880 8.230 0.108 -0.423 0.499 55 I N -0.696 119.882 120.570 0.014 0.000 2.845 55 I HA -0.128 nan 4.170 nan 0.000 0.296 55 I C -1.055 175.045 176.117 -0.028 0.000 1.216 55 I CA -2.147 59.147 61.300 -0.009 0.000 1.438 55 I CB -2.115 35.874 38.000 -0.018 0.000 1.342 55 I HN -0.236 8.359 8.210 0.021 -0.372 0.577 56 P HA 0.109 nan 4.420 nan 0.000 0.271 56 P C 0.019 177.251 177.300 -0.113 0.000 1.244 56 P CA -0.124 62.945 63.100 -0.051 0.000 0.793 56 P CB 0.826 32.515 31.700 -0.017 0.000 0.984 57 S N 2.022 117.605 115.700 -0.194 0.000 2.423 57 S HA -0.176 nan 4.470 nan 0.000 0.231 57 S C 2.275 176.787 174.600 -0.146 0.000 1.014 57 S CA 3.722 61.731 58.200 -0.317 0.000 0.965 57 S CB -0.180 62.698 63.200 -0.536 0.000 0.785 57 S HN 0.199 8.699 8.310 -0.167 -0.290 0.495 58 G N 0.425 109.178 108.800 -0.078 0.000 2.848 58 G HA2 -0.071 nan 3.960 nan 0.000 0.208 58 G HA3 -0.071 nan 3.960 nan 0.000 0.208 58 G C 0.468 175.351 174.900 -0.030 0.000 1.152 58 G CA 0.201 45.278 45.100 -0.039 0.000 0.789 58 G HN 0.098 8.317 8.290 -0.069 0.030 0.531 59 I N 1.645 122.194 120.570 -0.035 0.000 2.502 59 I HA -0.432 nan 4.170 nan 0.000 0.258 59 I C 0.449 176.555 176.117 -0.018 0.000 1.172 59 I CA 1.764 63.050 61.300 -0.022 0.000 1.430 59 I CB 0.177 38.163 38.000 -0.024 0.000 1.086 59 I HN -0.817 7.303 8.210 -0.051 0.059 0.440 60 L N -1.922 119.290 121.223 -0.018 0.000 2.044 60 L HA -0.301 nan 4.340 nan 0.000 0.205 60 L C 0.702 177.565 176.870 -0.012 0.000 1.075 60 L CA 1.356 56.190 54.840 -0.010 0.000 0.747 60 L CB -0.468 41.590 42.059 -0.003 0.000 0.903 60 L HN -0.844 7.331 8.230 -0.024 0.041 0.435 61 R N -1.583 118.907 120.500 -0.015 0.000 2.566 61 R HA -0.264 nan 4.340 nan 0.000 0.273 61 R C 1.053 177.339 176.300 -0.022 0.000 0.981 61 R CA 0.785 56.873 56.100 -0.020 0.000 1.091 61 R CB -0.226 30.058 30.300 -0.027 0.000 0.924 61 R HN -0.747 7.513 8.270 -0.016 0.000 0.411 62 E N 4.374 124.559 120.200 -0.024 0.000 2.021 62 E HA -0.114 nan 4.350 nan 0.000 0.189 62 E C 1.276 177.857 176.600 -0.033 0.000 0.980 62 E CA 2.875 59.261 56.400 -0.024 0.000 0.803 62 E CB 0.127 29.813 29.700 -0.022 0.000 0.766 62 E HN 0.546 8.892 8.360 -0.024 0.000 0.449 63 N N -1.879 116.794 118.700 -0.045 0.000 2.346 63 N HA 0.022 nan 4.740 nan 0.000 0.225 63 N C -1.583 173.874 175.510 -0.089 0.000 1.144 63 N CA -0.358 52.654 53.050 -0.063 0.000 0.837 63 N CB -0.490 37.956 38.487 -0.068 0.000 1.069 63 N HN 0.147 8.501 8.380 -0.044 0.000 0.487 64 V N -1.277 118.595 119.914 -0.069 0.000 2.881 64 V HA 0.479 nan 4.120 nan 0.000 0.316 64 V C -0.555 175.522 176.094 -0.028 0.000 1.070 64 V CA -1.228 61.027 62.300 -0.076 0.000 0.976 64 V CB 3.094 34.885 31.823 -0.052 0.000 1.038 64 V HN -0.748 7.320 8.190 -0.048 0.093 0.446 65 T N 7.142 121.705 114.554 0.016 0.000 2.841 65 T HA 0.413 nan 4.350 nan 0.000 0.285 65 T C -1.529 173.239 174.700 0.114 0.000 0.991 65 T CA -0.884 61.275 62.100 0.098 0.000 0.966 65 T CB 2.411 71.413 68.868 0.224 0.000 0.962 65 T HN 0.647 8.880 8.240 -0.012 0.000 0.438 66 S N 6.414 122.150 115.700 0.061 0.000 2.462 66 S HA 0.904 nan 4.470 nan 0.000 0.294 66 S C -1.517 173.104 174.600 0.035 0.000 1.144 66 S CA -0.692 57.532 58.200 0.041 0.000 1.088 66 S CB 1.078 64.285 63.200 0.011 0.000 1.009 66 S HN 0.226 8.563 8.310 0.045 0.000 0.484 67 I N 3.553 124.141 120.570 0.030 0.000 2.509 67 I HA 0.620 nan 4.170 nan 0.000 0.293 67 I C -1.501 174.638 176.117 0.038 0.000 1.020 67 I CA -1.015 60.299 61.300 0.023 0.000 1.088 67 I CB 3.255 41.254 38.000 -0.001 0.000 1.267 67 I HN 1.051 9.279 8.210 0.030 0.000 0.430 68 I N 5.504 126.096 120.570 0.036 0.000 2.312 68 I HA 0.432 nan 4.170 nan 0.000 0.290 68 I C -0.785 175.368 176.117 0.059 0.000 1.008 68 I CA -1.138 60.188 61.300 0.044 0.000 1.226 68 I CB 0.581 38.594 38.000 0.021 0.000 1.371 68 I HN 0.069 8.295 8.210 0.027 0.000 0.468 69 G N 4.410 113.267 108.800 0.095 0.000 2.511 69 G HA2 0.309 nan 3.960 nan 0.000 0.316 69 G HA3 0.309 nan 3.960 nan 0.000 0.316 69 G C 0.242 175.203 174.900 0.101 0.000 1.210 69 G CA -2.093 43.073 45.100 0.110 0.000 0.969 69 G HN 0.462 8.821 8.290 0.116 0.000 0.492 70 N N 0.885 119.647 118.700 0.103 0.000 2.242 70 N HA -0.460 nan 4.740 nan 0.000 0.191 70 N C 1.205 176.781 175.510 0.109 0.000 1.005 70 N CA 2.783 55.889 53.050 0.094 0.000 0.877 70 N CB -0.698 37.844 38.487 0.091 0.000 0.983 70 N HN 0.517 8.960 8.380 0.106 0.000 0.439 71 G N -1.915 106.969 108.800 0.140 0.000 2.572 71 G HA2 -0.055 nan 3.960 nan 0.000 0.216 71 G HA3 -0.055 nan 3.960 nan 0.000 0.216 71 G C -0.944 174.050 174.900 0.157 0.000 1.133 71 G CA 0.267 45.469 45.100 0.170 0.000 0.791 71 G HN -0.453 7.895 8.290 0.155 0.035 0.538 72 V N 2.122 122.087 119.914 0.085 0.000 2.461 72 V HA 0.268 nan 4.120 nan 0.000 0.275 72 V C 0.280 176.338 176.094 -0.059 0.000 1.047 72 V CA -0.062 62.258 62.300 0.033 0.000 0.955 72 V CB -0.200 31.633 31.823 0.018 0.000 0.988 72 V HN 0.010 8.092 8.190 0.081 0.157 0.471 73 V N 3.690 123.496 119.914 -0.180 0.000 2.508 73 V HA 0.185 nan 4.120 nan 0.000 0.281 73 V C -0.796 175.192 176.094 -0.175 0.000 1.041 73 V CA -0.818 61.306 62.300 -0.293 0.000 1.016 73 V CB -0.516 30.940 31.823 -0.611 0.000 0.984 73 V HN 0.227 8.340 8.190 -0.129 0.000 0.478 74 L N 6.527 127.663 121.223 -0.145 0.000 2.360 74 L HA 0.468 nan 4.340 nan 0.000 0.271 74 L C -1.032 175.740 176.870 -0.163 0.000 1.057 74 L CA -1.195 53.567 54.840 -0.130 0.000 0.803 74 L CB 4.100 46.110 42.059 -0.082 0.000 1.207 74 L HN 1.073 9.107 8.230 -0.138 0.113 0.445 75 S N 2.133 117.711 115.700 -0.203 0.000 2.524 75 S HA 0.356 nan 4.470 nan 0.000 0.227 75 S C -1.338 173.167 174.600 -0.160 0.000 1.304 75 S CA -4.347 53.718 58.200 -0.225 0.000 1.185 75 S CB 0.480 63.410 63.200 -0.451 0.000 1.104 75 S HN 0.215 8.407 8.310 -0.196 0.000 0.475 76 P HA -0.331 nan 4.420 nan 0.000 0.217 76 P C 0.239 177.493 177.300 -0.077 0.000 1.158 76 P CA 2.666 65.716 63.100 -0.084 0.000 0.887 76 P CB 0.044 31.701 31.700 -0.071 0.000 0.792 77 A N -4.557 118.219 122.820 -0.073 0.000 1.940 77 A HA -0.327 nan 4.320 nan 0.000 0.221 77 A C 1.881 179.438 177.584 -0.045 0.000 1.190 77 A CA 2.810 54.817 52.037 -0.051 0.000 0.647 77 A CB -0.874 18.101 19.000 -0.042 0.000 0.821 77 A HN 0.352 8.465 8.150 -0.075 -0.008 0.457 78 A N -3.746 119.020 122.820 -0.090 0.000 2.132 78 A HA 0.042 nan 4.320 nan 0.000 0.213 78 A C 1.606 179.177 177.584 -0.023 0.000 1.154 78 A CA 1.898 53.909 52.037 -0.043 0.000 0.753 78 A CB -0.393 18.539 19.000 -0.113 0.000 0.826 78 A HN -0.247 7.703 8.150 -0.158 0.105 0.469 79 L N 0.269 121.461 121.223 -0.052 0.000 2.095 79 L HA -0.074 nan 4.340 nan 0.000 0.204 79 L C 1.650 178.507 176.870 -0.023 0.000 1.080 79 L CA 3.005 57.824 54.840 -0.035 0.000 0.759 79 L CB -0.400 41.629 42.059 -0.051 0.000 0.914 79 L HN -0.170 7.863 8.230 -0.079 0.150 0.439 80 M N -2.103 117.481 119.600 -0.027 0.000 2.229 80 M HA -0.339 nan 4.480 nan 0.000 0.264 80 M C 2.411 178.706 176.300 -0.008 0.000 1.063 80 M CA 2.475 57.762 55.300 -0.021 0.000 1.114 80 M CB -1.617 30.967 32.600 -0.026 0.000 1.387 80 M HN 0.157 8.425 8.290 -0.037 0.000 0.420 81 K N 0.190 120.591 120.400 0.002 0.000 2.001 81 K HA -0.300 nan 4.320 nan 0.000 0.208 81 K C 2.082 178.691 176.600 0.015 0.000 1.048 81 K CA 3.044 59.340 56.287 0.014 0.000 0.932 81 K CB -0.462 32.057 32.500 0.032 0.000 0.715 81 K HN -0.524 7.726 8.250 -0.001 0.000 0.437 82 E N -0.468 119.744 120.200 0.019 0.000 2.110 82 E HA -0.377 nan 4.350 nan 0.000 0.193 82 E C 2.639 179.240 176.600 0.000 0.000 0.988 82 E CA 2.950 59.357 56.400 0.012 0.000 0.804 82 E CB -0.118 29.591 29.700 0.016 0.000 0.745 82 E HN -0.756 7.618 8.360 0.024 0.000 0.458 83 M N -0.676 118.922 119.600 -0.004 0.000 2.066 83 M HA -0.426 nan 4.480 nan 0.000 0.259 83 M C 1.707 178.003 176.300 -0.007 0.000 1.074 83 M CA 4.086 59.380 55.300 -0.009 0.000 1.114 83 M CB 0.062 32.653 32.600 -0.014 0.000 1.306 83 M HN 0.227 8.514 8.290 -0.005 0.000 0.411 84 K N -0.986 119.411 120.400 -0.006 0.000 2.107 84 K HA -0.446 nan 4.320 nan 0.000 0.211 84 K C 2.260 178.859 176.600 -0.002 0.000 1.049 84 K CA 3.039 59.324 56.287 -0.005 0.000 0.927 84 K CB -0.724 31.774 32.500 -0.003 0.000 0.714 84 K HN -0.446 7.800 8.250 -0.007 0.000 0.452 85 E N -1.049 119.151 120.200 0.000 0.000 2.013 85 E HA -0.324 nan 4.350 nan 0.000 0.202 85 E C 2.654 179.253 176.600 -0.002 0.000 1.018 85 E CA 3.400 59.801 56.400 0.001 0.000 0.834 85 E CB -0.303 29.398 29.700 0.001 0.000 0.770 85 E HN -0.539 7.828 8.360 0.002 -0.005 0.459 86 L N -1.423 119.797 121.223 -0.004 0.000 2.083 86 L HA -0.413 nan 4.340 nan 0.000 0.209 86 L C 2.586 179.453 176.870 -0.005 0.000 1.083 86 L CA 3.012 57.849 54.840 -0.005 0.000 0.752 86 L CB -0.296 41.758 42.059 -0.007 0.000 0.899 86 L HN -0.447 7.781 8.230 -0.004 0.000 0.433 87 E N -0.319 119.877 120.200 -0.006 0.000 2.038 87 E HA -0.434 nan 4.350 nan 0.000 0.195 87 E C 2.838 179.436 176.600 -0.004 0.000 1.000 87 E CA 3.424 59.821 56.400 -0.006 0.000 0.803 87 E CB -0.369 29.327 29.700 -0.007 0.000 0.750 87 E HN 0.533 8.778 8.360 -0.006 0.111 0.448 88 D N 0.792 121.190 120.400 -0.003 0.000 2.116 88 D HA -0.222 nan 4.640 nan 0.000 0.193 88 D C 1.993 178.292 176.300 -0.001 0.000 0.998 88 D CA 2.669 56.668 54.000 -0.002 0.000 0.836 88 D CB -0.351 40.448 40.800 -0.001 0.000 0.951 88 D HN -0.173 8.195 8.370 -0.003 0.000 0.449 89 R N -2.792 117.707 120.500 -0.001 0.000 2.343 89 R HA 0.055 nan 4.340 nan 0.000 0.202 89 R C 0.288 176.587 176.300 -0.001 0.000 1.023 89 R CA -1.577 54.523 56.100 -0.000 0.000 1.084 89 R CB -1.139 29.162 30.300 0.000 0.000 0.956 89 R HN -0.267 7.945 8.270 -0.001 0.057 0.478 90 G N -0.664 108.134 108.800 -0.002 0.000 2.324 90 G HA2 -0.440 nan 3.960 nan 0.000 0.292 90 G HA3 -0.440 nan 3.960 nan 0.000 0.292 90 G C -0.998 173.899 174.900 -0.004 0.000 1.079 90 G CA 0.676 45.774 45.100 -0.003 0.000 1.026 90 G HN 0.066 8.136 8.290 -0.003 0.218 0.506 91 I N 0.626 121.193 120.570 -0.005 0.000 2.447 91 I HA 0.290 nan 4.170 nan 0.000 0.287 91 I C -1.346 174.766 176.117 -0.007 0.000 1.023 91 I CA -4.079 57.218 61.300 -0.006 0.000 1.083 91 I CB 3.034 41.030 38.000 -0.007 0.000 1.245 91 I HN -0.567 7.640 8.210 -0.005 0.000 0.434 92 P HA 0.092 nan 4.420 nan 0.000 0.262 92 P C 0.485 177.780 177.300 -0.007 0.000 1.647 92 P CA 0.067 63.163 63.100 -0.007 0.000 0.865 92 P CB -2.006 29.689 31.700 -0.007 0.000 1.834 93 V N 2.174 122.083 119.914 -0.008 0.000 2.313 93 V HA -0.582 nan 4.120 nan 0.000 0.253 93 V C 1.881 177.971 176.094 -0.008 0.000 1.070 93 V CA 4.023 66.318 62.300 -0.008 0.000 1.057 93 V CB -0.957 30.860 31.823 -0.010 0.000 0.653 93 V HN 0.820 8.899 8.190 -0.008 0.106 0.450 94 R N -2.449 118.045 120.500 -0.010 0.000 2.115 94 R HA -0.258 nan 4.340 nan 0.000 0.230 94 R C 1.981 178.278 176.300 -0.005 0.000 1.111 94 R CA 2.608 58.702 56.100 -0.010 0.000 0.976 94 R CB -0.451 29.840 30.300 -0.014 0.000 0.870 94 R HN 0.248 8.496 8.270 -0.010 0.016 0.445 95 E N -4.091 116.107 120.200 -0.003 0.000 2.489 95 E HA 0.013 nan 4.350 nan 0.000 0.193 95 E C -0.101 176.503 176.600 0.005 0.000 1.057 95 E CA 0.818 57.218 56.400 0.001 0.000 0.866 95 E CB 0.045 29.745 29.700 -0.001 0.000 0.916 95 E HN -0.210 8.030 8.360 -0.005 0.118 0.500 96 R N -4.371 116.132 120.500 0.005 0.000 2.469 96 R HA 0.256 nan 4.340 nan 0.000 0.250 96 R C -0.998 175.312 176.300 0.016 0.000 0.909 96 R CA -0.054 56.051 56.100 0.010 0.000 1.050 96 R CB 2.392 32.693 30.300 0.002 0.000 1.256 96 R HN -0.491 7.580 8.270 0.001 0.200 0.550 97 L N -0.296 120.933 121.223 0.010 0.000 2.334 97 L HA 0.575 nan 4.340 nan 0.000 0.276 97 L C -1.896 174.980 176.870 0.010 0.000 1.014 97 L CA -0.811 54.035 54.840 0.009 0.000 0.815 97 L CB 2.993 45.051 42.059 -0.000 0.000 1.268 97 L HN -0.453 7.779 8.230 0.004 0.000 0.428 98 L N 4.185 125.416 121.223 0.013 0.000 2.464 98 L HA 0.546 nan 4.340 nan 0.000 0.266 98 L C -1.920 174.958 176.870 0.013 0.000 0.965 98 L CA -0.836 54.011 54.840 0.012 0.000 0.833 98 L CB 3.216 45.283 42.059 0.013 0.000 1.296 98 L HN 0.167 8.406 8.230 0.016 0.000 0.405 99 L N -1.790 119.442 121.223 0.014 0.000 2.303 99 L HA 0.875 nan 4.340 nan 0.000 0.266 99 L C -1.054 175.838 176.870 0.036 0.000 1.011 99 L CA -2.422 52.429 54.840 0.020 0.000 0.818 99 L CB 1.601 43.664 42.059 0.006 0.000 1.326 99 L HN 0.044 8.165 8.230 0.013 0.117 0.435 100 S N -0.749 114.976 115.700 0.043 0.000 2.585 100 S HA 0.031 nan 4.470 nan 0.000 0.273 100 S C 1.394 176.036 174.600 0.070 0.000 1.339 100 S CA -0.333 57.901 58.200 0.056 0.000 1.028 100 S CB 1.216 64.452 63.200 0.060 0.000 0.906 100 S HN -0.443 7.891 8.310 0.039 0.000 0.528 101 E N 5.579 125.832 120.200 0.088 0.000 2.158 101 E HA -0.126 nan 4.350 nan 0.000 0.191 101 E C 1.193 177.849 176.600 0.094 0.000 0.982 101 E CA 2.795 59.268 56.400 0.122 0.000 0.823 101 E CB -0.181 29.592 29.700 0.122 0.000 0.766 101 E HN 0.760 9.167 8.360 0.078 0.000 0.468 102 A N -1.300 121.564 122.820 0.074 0.000 2.239 102 A HA -0.019 nan 4.320 nan 0.000 0.209 102 A C -0.228 177.391 177.584 0.059 0.000 1.171 102 A CA 0.121 52.199 52.037 0.067 0.000 0.768 102 A CB -0.380 18.659 19.000 0.064 0.000 0.790 102 A HN -0.457 7.710 8.150 0.069 0.024 0.478 103 C N 1.650 120.980 119.300 0.049 0.000 2.629 103 C HA 0.059 nan 4.460 nan 0.000 0.410 103 C C -1.990 173.007 174.990 0.011 0.000 1.339 103 C CA -1.113 57.919 59.018 0.023 0.000 1.810 103 C CB -1.309 26.437 27.740 0.009 0.000 2.549 103 C HN -0.631 7.552 8.230 0.054 0.079 0.589 104 P HA 0.273 nan 4.420 nan 0.000 0.275 104 P C -1.898 175.366 177.300 -0.061 0.000 1.227 104 P CA 0.088 63.167 63.100 -0.036 0.000 0.781 104 P CB 0.420 32.053 31.700 -0.111 0.000 0.906 105 L N 2.431 123.654 121.223 -0.000 0.000 2.309 105 L HA 0.689 nan 4.340 nan 0.000 0.282 105 L C -0.923 175.948 176.870 0.003 0.000 1.036 105 L CA -0.971 53.869 54.840 0.000 0.000 0.806 105 L CB 1.848 43.951 42.059 0.073 0.000 1.220 105 L HN -0.192 8.072 8.230 0.058 0.000 0.429 106 I N 1.498 122.030 120.570 -0.062 0.000 2.342 106 I HA 0.057 nan 4.170 nan 0.000 0.291 106 I C -1.405 174.707 176.117 -0.008 0.000 1.010 106 I CA -0.178 61.100 61.300 -0.036 0.000 1.308 106 I CB 0.200 38.120 38.000 -0.134 0.000 1.400 106 I HN 0.919 8.942 8.210 -0.100 0.127 0.488 107 L N 2.867 124.059 121.223 -0.052 0.000 2.333 107 L HA 0.278 nan 4.340 nan 0.000 0.263 107 L C 0.680 177.357 176.870 -0.321 0.000 1.014 107 L CA -1.779 52.903 54.840 -0.263 0.000 0.820 107 L CB 3.216 45.034 42.059 -0.402 0.000 1.352 107 L HN 0.006 8.317 8.230 0.135 0.000 0.421 108 D N 2.133 122.449 120.400 -0.141 0.000 2.248 108 D HA -0.474 nan 4.640 nan 0.000 0.191 108 D C 1.638 177.924 176.300 -0.024 0.000 1.013 108 D CA 3.923 57.897 54.000 -0.043 0.000 0.883 108 D CB -0.236 40.581 40.800 0.028 0.000 0.915 108 D HN 0.695 9.015 8.370 -0.083 0.000 0.448 109 Y N -4.399 115.879 120.300 -0.036 0.000 2.315 109 Y HA -0.260 nan 4.550 nan 0.000 0.288 109 Y C 1.957 177.804 175.900 -0.089 0.000 1.154 109 Y CA 1.885 59.942 58.100 -0.071 0.000 1.229 109 Y CB -1.104 37.312 38.460 -0.074 0.000 0.980 109 Y HN -0.167 8.084 8.280 -0.029 0.011 0.540 110 H N -1.225 117.701 119.070 -0.240 0.000 2.395 110 H HA -0.150 nan 4.556 nan 0.000 0.299 110 H C 2.850 178.115 175.328 -0.105 0.000 1.070 110 H CA 3.949 59.886 56.048 -0.185 0.000 1.356 110 H CB -0.352 29.252 29.762 -0.263 0.000 1.401 110 H HN 0.570 8.393 8.280 -0.495 0.160 0.524 111 V N 0.319 120.252 119.914 0.032 0.000 2.379 111 V HA -0.314 nan 4.120 nan 0.000 0.245 111 V C 1.429 177.515 176.094 -0.013 0.000 1.044 111 V CA 3.573 65.879 62.300 0.009 0.000 1.036 111 V CB -0.742 31.087 31.823 0.010 0.000 0.664 111 V HN -0.730 7.367 8.190 0.006 0.097 0.453 112 A N 0.322 123.140 122.820 -0.004 0.000 1.865 112 A HA -0.330 nan 4.320 nan 0.000 0.217 112 A C 1.823 179.359 177.584 -0.080 0.000 1.191 112 A CA 3.649 55.673 52.037 -0.021 0.000 0.623 112 A CB -0.872 18.141 19.000 0.021 0.000 0.826 112 A HN 0.298 8.456 8.150 0.013 0.000 0.444 113 L N -2.875 118.305 121.223 -0.073 0.000 2.043 113 L HA -0.448 nan 4.340 nan 0.000 0.212 113 L C 2.607 179.363 176.870 -0.189 0.000 1.075 113 L CA 3.532 58.282 54.840 -0.151 0.000 0.752 113 L CB -1.344 40.665 42.059 -0.083 0.000 0.891 113 L HN 0.252 8.469 8.230 -0.021 0.000 0.432 114 D N -0.820 119.521 120.400 -0.097 0.000 2.077 114 D HA -0.256 nan 4.640 nan 0.000 0.196 114 D C 2.252 178.489 176.300 -0.104 0.000 0.986 114 D CA 3.144 57.094 54.000 -0.083 0.000 0.829 114 D CB -0.406 40.368 40.800 -0.042 0.000 0.983 114 D HN -0.724 7.542 8.370 -0.056 0.071 0.453 115 N N -0.142 118.505 118.700 -0.089 0.000 2.060 115 N HA -0.375 nan 4.740 nan 0.000 0.195 115 N C 2.350 177.792 175.510 -0.115 0.000 1.028 115 N CA 2.929 55.930 53.050 -0.082 0.000 0.861 115 N CB -0.371 38.080 38.487 -0.060 0.000 1.029 115 N HN 0.370 8.598 8.380 -0.071 0.110 0.428 116 A N -1.981 120.728 122.820 -0.185 0.000 2.015 116 A HA -0.164 nan 4.320 nan 0.000 0.219 116 A C 2.172 179.567 177.584 -0.316 0.000 1.163 116 A CA 2.299 54.181 52.037 -0.259 0.000 0.646 116 A CB -0.491 18.277 19.000 -0.387 0.000 0.806 116 A HN 0.454 8.489 8.150 -0.191 0.000 0.448 117 R N -1.132 119.181 120.500 -0.311 0.000 2.056 117 R HA -0.327 nan 4.340 nan 0.000 0.227 117 R C 1.813 178.086 176.300 -0.046 0.000 1.149 117 R CA 3.482 59.481 56.100 -0.168 0.000 0.937 117 R CB -0.149 30.088 30.300 -0.105 0.000 0.835 117 R HN -0.196 7.750 8.270 -0.284 0.153 0.430 118 E N -1.006 119.164 120.200 -0.049 0.000 2.023 118 E HA -0.378 nan 4.350 nan 0.000 0.196 118 E C 2.094 178.682 176.600 -0.020 0.000 1.003 118 E CA 3.228 59.612 56.400 -0.026 0.000 0.809 118 E CB -0.302 29.379 29.700 -0.032 0.000 0.755 118 E HN -0.513 7.805 8.360 -0.070 0.000 0.449 119 K N -1.261 119.121 120.400 -0.031 0.000 2.023 119 K HA -0.471 nan 4.320 nan 0.000 0.227 119 K C 2.150 178.746 176.600 -0.007 0.000 1.054 119 K CA 2.934 59.209 56.287 -0.021 0.000 0.977 119 K CB -0.037 32.446 32.500 -0.028 0.000 0.733 119 K HN -0.764 7.459 8.250 -0.045 0.000 0.451 120 A N -2.213 120.609 122.820 0.004 0.000 1.848 120 A HA -0.238 nan 4.320 nan 0.000 0.211 120 A C 2.312 179.914 177.584 0.031 0.000 1.225 120 A CA 2.406 54.460 52.037 0.030 0.000 0.637 120 A CB -0.746 18.312 19.000 0.097 0.000 0.867 120 A HN -0.682 7.463 8.150 -0.008 0.000 0.463 121 R N -2.162 118.373 120.500 0.059 0.000 2.246 121 R HA -0.338 nan 4.340 nan 0.000 0.266 121 R C 0.827 177.142 176.300 0.024 0.000 1.163 121 R CA 1.372 57.504 56.100 0.053 0.000 0.992 121 R CB 0.339 30.679 30.300 0.067 0.000 0.895 121 R HN -0.040 8.281 8.270 0.085 0.000 0.465 122 G N -5.411 103.397 108.800 0.012 0.000 1.956 122 G HA2 -0.098 nan 3.960 nan 0.000 0.189 122 G HA3 -0.098 nan 3.960 nan 0.000 0.189 122 G C -1.486 173.411 174.900 -0.003 0.000 1.568 122 G CA -0.175 44.927 45.100 0.004 0.000 1.002 122 G HN -0.151 8.012 8.290 0.011 0.134 0.653 123 A N 2.970 125.787 122.820 -0.006 0.000 2.216 123 A HA -0.209 nan 4.320 nan 0.000 0.214 123 A C -0.017 177.561 177.584 -0.011 0.000 1.160 123 A CA 2.607 54.637 52.037 -0.011 0.000 0.725 123 A CB -0.166 18.827 19.000 -0.011 0.000 0.784 123 A HN 0.400 8.547 8.150 -0.004 0.000 0.472 124 K N -4.574 115.822 120.400 -0.006 0.000 2.391 124 K HA 0.093 nan 4.320 nan 0.000 0.197 124 K C -0.236 176.362 176.600 -0.003 0.000 1.087 124 K CA -0.482 55.803 56.287 -0.004 0.000 1.012 124 K CB 0.534 33.034 32.500 -0.000 0.000 0.925 124 K HN -0.135 8.039 8.250 -0.004 0.073 0.547 125 A N -0.698 122.119 122.820 -0.005 0.000 2.252 125 A HA 0.270 nan 4.320 nan 0.000 0.305 125 A C -0.536 177.036 177.584 -0.021 0.000 1.097 125 A CA -1.241 50.791 52.037 -0.009 0.000 0.849 125 A CB 1.620 20.613 19.000 -0.012 0.000 1.142 125 A HN -0.708 7.327 8.150 -0.007 0.111 0.499 126 I N -0.102 120.446 120.570 -0.037 0.000 2.472 126 I HA -0.145 nan 4.170 nan 0.000 0.305 126 I C -0.140 175.943 176.117 -0.056 0.000 1.196 126 I CA 0.493 61.762 61.300 -0.052 0.000 1.613 126 I CB -1.935 36.014 38.000 -0.084 0.000 1.501 126 I HN 0.121 8.307 8.210 -0.040 0.000 0.754 127 G N 6.239 115.020 108.800 -0.032 0.000 2.752 127 G HA2 -0.162 nan 3.960 nan 0.000 0.209 127 G HA3 -0.162 nan 3.960 nan 0.000 0.209 127 G C -0.428 174.455 174.900 -0.029 0.000 1.392 127 G CA 1.419 46.505 45.100 -0.024 0.000 0.873 127 G HN -0.176 8.303 8.290 -0.034 -0.210 0.586 128 T N -1.623 112.912 114.554 -0.032 0.000 3.824 128 T HA 0.149 nan 4.350 nan 0.000 0.308 128 T C -1.194 173.481 174.700 -0.041 0.000 0.879 128 T CA -0.222 61.858 62.100 -0.032 0.000 0.882 128 T CB 0.701 69.557 68.868 -0.020 0.000 1.185 128 T HN 0.194 8.459 8.240 -0.034 -0.045 0.730 129 T N 1.297 115.824 114.554 -0.044 0.000 4.141 129 T HA -0.242 nan 4.350 nan 0.000 0.352 129 T C 0.071 174.737 174.700 -0.057 0.000 0.756 129 T CA 0.468 62.538 62.100 -0.051 0.000 1.958 129 T CB -0.826 68.008 68.868 -0.056 0.000 1.848 129 T HN 0.222 8.437 8.240 -0.042 0.000 0.872 130 G N 0.224 108.994 108.800 -0.051 0.000 2.536 130 G HA2 -0.459 nan 3.960 nan 0.000 0.280 130 G HA3 -0.459 nan 3.960 nan 0.000 0.280 130 G C -0.828 174.046 174.900 -0.044 0.000 1.152 130 G CA -0.078 44.994 45.100 -0.048 0.000 0.970 130 G HN -0.037 8.223 8.290 -0.050 0.000 0.549 131 R N 1.881 122.345 120.500 -0.060 0.000 2.695 131 R HA -0.297 nan 4.340 nan 0.000 0.304 131 R C 0.962 177.271 176.300 0.016 0.000 0.836 131 R CA 0.241 56.341 56.100 -0.001 0.000 1.135 131 R CB -0.465 29.778 30.300 -0.094 0.000 0.882 131 R HN 0.275 8.485 8.270 -0.101 0.000 0.413 132 G N 5.520 114.336 108.800 0.027 0.000 3.297 132 G HA2 -0.105 nan 3.960 nan 0.000 0.225 132 G HA3 -0.105 nan 3.960 nan 0.000 0.225 132 G C -0.014 174.851 174.900 -0.059 0.000 1.171 132 G CA -0.013 45.083 45.100 -0.006 0.000 1.652 132 G HN 0.746 9.062 8.290 0.044 0.000 0.564 133 I N 1.646 122.208 120.570 -0.015 0.000 2.264 133 I HA -0.543 nan 4.170 nan 0.000 0.248 133 I C 1.257 177.393 176.117 0.032 0.000 1.111 133 I CA 3.426 64.715 61.300 -0.019 0.000 1.382 133 I CB -0.197 37.848 38.000 0.076 0.000 1.060 133 I HN 0.536 8.656 8.210 0.010 0.097 0.418 134 G N -1.263 107.581 108.800 0.074 0.000 2.404 134 G HA2 -0.121 nan 3.960 nan 0.000 0.215 134 G HA3 -0.121 nan 3.960 nan 0.000 0.215 134 G C -1.932 173.013 174.900 0.074 0.000 1.174 134 G CA 2.799 47.973 45.100 0.123 0.000 0.780 134 G HN 0.041 8.336 8.290 0.041 0.020 0.537 135 P HA -0.183 nan 4.420 nan 0.000 0.218 135 P C 1.013 178.183 177.300 -0.216 0.000 1.149 135 P CA 2.520 65.616 63.100 -0.008 0.000 0.817 135 P CB -0.410 31.323 31.700 0.054 0.000 0.785 136 A N -2.480 120.044 122.820 -0.494 0.000 1.898 136 A HA -0.217 nan 4.320 nan 0.000 0.216 136 A C 2.326 179.749 177.584 -0.268 0.000 1.181 136 A CA 2.954 54.624 52.037 -0.612 0.000 0.620 136 A CB -0.688 17.963 19.000 -0.582 0.000 0.819 136 A HN -0.256 7.639 8.150 -0.410 0.008 0.442 137 Y N -1.741 118.504 120.300 -0.092 0.000 2.163 137 Y HA -0.365 nan 4.550 nan 0.000 0.288 137 Y C 2.017 177.925 175.900 0.014 0.000 1.136 137 Y CA 2.756 60.843 58.100 -0.022 0.000 1.147 137 Y CB -0.319 38.134 38.460 -0.011 0.000 0.987 137 Y HN -0.592 7.552 8.280 -0.102 0.074 0.509 138 E N -0.624 119.689 120.200 0.188 0.000 2.058 138 E HA -0.474 nan 4.350 nan 0.000 0.194 138 E C 2.465 179.163 176.600 0.164 0.000 0.997 138 E CA 3.574 60.072 56.400 0.162 0.000 0.801 138 E CB -0.200 29.599 29.700 0.166 0.000 0.746 138 E HN 0.339 8.694 8.360 0.179 0.112 0.450 139 D N -1.315 119.198 120.400 0.188 0.000 2.182 139 D HA -0.240 nan 4.640 nan 0.000 0.201 139 D C 2.028 178.414 176.300 0.143 0.000 0.986 139 D CA 3.286 57.420 54.000 0.224 0.000 0.847 139 D CB -0.401 40.617 40.800 0.362 0.000 0.942 139 D HN 0.159 8.514 8.370 0.165 0.113 0.467 140 K N 0.259 120.729 120.400 0.117 0.000 1.973 140 K HA -0.242 nan 4.320 nan 0.000 0.212 140 K C 2.516 179.172 176.600 0.093 0.000 1.047 140 K CA 3.072 59.419 56.287 0.101 0.000 0.937 140 K CB -0.032 32.532 32.500 0.106 0.000 0.721 140 K HN -0.832 7.366 8.250 0.109 0.117 0.440 141 V N -0.026 119.951 119.914 0.104 0.000 2.277 141 V HA -0.432 nan 4.120 nan 0.000 0.253 141 V C 1.830 177.956 176.094 0.054 0.000 1.067 141 V CA 3.773 66.120 62.300 0.078 0.000 1.047 141 V CB -0.831 31.040 31.823 0.080 0.000 0.649 141 V HN -0.236 8.032 8.190 0.131 0.000 0.447 142 A N -4.281 118.572 122.820 0.054 0.000 2.168 142 A HA -0.093 nan 4.320 nan 0.000 0.215 142 A C -0.168 177.417 177.584 0.002 0.000 1.152 142 A CA 0.713 52.762 52.037 0.020 0.000 0.716 142 A CB 0.065 19.072 19.000 0.012 0.000 0.794 142 A HN -0.395 7.797 8.150 0.077 0.005 0.465 143 R N -4.386 116.129 120.500 0.024 0.000 3.246 143 R HA -0.307 nan 4.340 nan 0.000 0.260 143 R C 0.042 176.340 176.300 -0.004 0.000 1.034 143 R CA 1.200 57.309 56.100 0.016 0.000 0.691 143 R CB -2.490 27.814 30.300 0.006 0.000 1.186 143 R HN -0.017 8.094 8.270 0.047 0.187 0.416 144 R N -4.278 116.229 120.500 0.012 0.000 2.555 144 R HA 0.290 nan 4.340 nan 0.000 0.312 144 R C 0.157 176.499 176.300 0.070 0.000 0.938 144 R CA -0.280 55.815 56.100 -0.008 0.000 1.112 144 R CB 1.392 31.632 30.300 -0.099 0.000 1.535 144 R HN 0.114 8.409 8.270 0.043 0.000 0.525 145 G N 0.760 109.636 108.800 0.127 0.000 2.525 145 G HA2 -0.054 nan 3.960 nan 0.000 0.276 145 G HA3 -0.054 nan 3.960 nan 0.000 0.276 145 G C -1.616 173.386 174.900 0.169 0.000 1.388 145 G CA -0.357 44.864 45.100 0.202 0.000 1.050 145 G HN -0.614 7.742 8.290 0.109 0.000 0.520 146 L N -1.442 119.900 121.223 0.199 0.000 2.350 146 L HA 0.684 nan 4.340 nan 0.000 0.260 146 L C -1.120 175.853 176.870 0.171 0.000 1.015 146 L CA -0.821 54.136 54.840 0.195 0.000 0.821 146 L CB 3.785 46.002 42.059 0.264 0.000 1.370 146 L HN 0.055 8.423 8.230 0.230 0.000 0.416 147 R N -1.219 119.381 120.500 0.167 0.000 2.930 147 R HA 0.668 nan 4.340 nan 0.000 0.257 147 R C 1.172 177.546 176.300 0.123 0.000 1.107 147 R CA -1.719 54.455 56.100 0.123 0.000 0.999 147 R CB 2.061 32.424 30.300 0.104 0.000 1.209 147 R HN 0.931 9.963 8.270 0.190 -0.648 0.486 148 V N -0.941 119.022 119.914 0.082 0.000 2.490 148 V HA -0.299 nan 4.120 nan 0.000 0.250 148 V C 2.013 178.179 176.094 0.120 0.000 1.061 148 V CA 4.205 66.532 62.300 0.046 0.000 1.064 148 V CB -0.794 31.048 31.823 0.032 0.000 0.670 148 V HN 0.035 8.268 8.190 0.071 0.000 0.461 149 G N -0.985 107.935 108.800 0.200 0.000 2.476 149 G HA2 -0.407 nan 3.960 nan 0.000 0.218 149 G HA3 -0.407 nan 3.960 nan 0.000 0.218 149 G C 0.553 175.665 174.900 0.354 0.000 1.164 149 G CA 2.778 48.070 45.100 0.320 0.000 0.768 149 G HN 0.006 8.382 8.290 0.155 0.007 0.560 150 D N 2.276 122.818 120.400 0.238 0.000 2.190 150 D HA -0.278 nan 4.640 nan 0.000 0.200 150 D C 2.317 178.744 176.300 0.212 0.000 0.992 150 D CA 2.901 57.056 54.000 0.258 0.000 0.854 150 D CB -0.648 40.356 40.800 0.339 0.000 0.936 150 D HN -0.446 8.047 8.370 0.205 0.000 0.462 151 L N -1.352 119.887 121.223 0.026 0.000 2.349 151 L HA -0.376 nan 4.340 nan 0.000 0.220 151 L C 1.475 178.259 176.870 -0.144 0.000 1.130 151 L CA 2.042 56.734 54.840 -0.247 0.000 0.791 151 L CB -0.515 41.304 42.059 -0.399 0.000 0.918 151 L HN -0.637 7.480 8.230 0.038 0.136 0.444 152 F N -2.568 117.362 119.950 -0.034 0.000 2.146 152 F HA -0.330 nan 4.527 nan 0.000 0.298 152 F C 1.044 176.846 175.800 0.004 0.000 1.096 152 F CA 3.064 61.055 58.000 -0.016 0.000 1.275 152 F CB 0.173 39.172 39.000 -0.001 0.000 1.008 152 F HN -0.282 8.061 8.300 0.325 0.152 0.480 153 D N -1.737 118.798 120.400 0.225 0.000 2.499 153 D HA 0.151 nan 4.640 nan 0.000 0.225 153 D C 0.153 176.549 176.300 0.159 0.000 1.124 153 D CA -1.778 52.318 54.000 0.160 0.000 0.938 153 D CB -0.744 40.143 40.800 0.146 0.000 1.014 153 D HN -0.644 7.878 8.370 0.253 0.000 0.517 154 K N 4.937 125.408 120.400 0.118 0.000 2.032 154 K HA -0.449 nan 4.320 nan 0.000 0.209 154 K C 1.622 178.326 176.600 0.173 0.000 1.048 154 K CA 3.860 60.230 56.287 0.138 0.000 0.927 154 K CB -0.265 32.277 32.500 0.071 0.000 0.712 154 K HN -0.196 8.108 8.250 0.089 0.000 0.441 155 E N -1.403 118.869 120.200 0.120 0.000 2.048 155 E HA -0.372 nan 4.350 nan 0.000 0.202 155 E C 2.329 178.998 176.600 0.116 0.000 1.021 155 E CA 3.332 59.794 56.400 0.103 0.000 0.825 155 E CB -0.279 29.466 29.700 0.076 0.000 0.756 155 E HN 0.049 8.469 8.360 0.100 0.000 0.454 156 T N 1.229 115.856 114.554 0.122 0.000 2.746 156 T HA -0.218 nan 4.350 nan 0.000 0.267 156 T C 1.610 176.393 174.700 0.138 0.000 1.039 156 T CA 4.279 66.446 62.100 0.112 0.000 1.142 156 T CB -0.452 68.478 68.868 0.102 0.000 0.866 156 T HN -0.287 8.401 8.240 0.121 -0.375 0.444 157 F N 1.961 121.949 119.950 0.063 0.000 2.115 157 F HA -0.526 nan 4.527 nan 0.000 0.300 157 F C 0.686 176.534 175.800 0.080 0.000 1.092 157 F CA 3.322 61.362 58.000 0.066 0.000 1.245 157 F CB -0.138 38.891 39.000 0.049 0.000 0.995 157 F HN 0.146 8.582 8.300 0.316 0.054 0.481 158 A N -2.373 120.495 122.820 0.081 0.000 1.877 158 A HA -0.397 nan 4.320 nan 0.000 0.216 158 A C 1.725 179.342 177.584 0.055 0.000 1.186 158 A CA 3.296 55.358 52.037 0.041 0.000 0.620 158 A CB -0.910 18.169 19.000 0.132 0.000 0.822 158 A HN -0.024 8.262 8.150 0.227 0.000 0.443 159 E N -2.030 118.194 120.200 0.040 0.000 2.051 159 E HA -0.423 nan 4.350 nan 0.000 0.192 159 E C 2.489 179.069 176.600 -0.033 0.000 0.991 159 E CA 2.857 59.266 56.400 0.015 0.000 0.799 159 E CB -0.547 29.161 29.700 0.013 0.000 0.748 159 E HN -0.646 7.748 8.360 0.057 0.000 0.449 160 K N -0.433 119.928 120.400 -0.065 0.000 2.032 160 K HA -0.312 nan 4.320 nan 0.000 0.209 160 K C 2.502 179.031 176.600 -0.118 0.000 1.048 160 K CA 2.852 59.087 56.287 -0.085 0.000 0.927 160 K CB -0.149 32.308 32.500 -0.073 0.000 0.712 160 K HN -0.439 7.779 8.250 -0.054 0.000 0.441 161 L N -0.396 120.699 121.223 -0.214 0.000 1.990 161 L HA -0.421 nan 4.340 nan 0.000 0.213 161 L C 1.069 177.945 176.870 0.009 0.000 1.072 161 L CA 3.388 58.144 54.840 -0.140 0.000 0.755 161 L CB -0.474 41.425 42.059 -0.266 0.000 0.889 161 L HN -0.095 7.920 8.230 -0.358 0.000 0.432 162 K N -1.706 118.731 120.400 0.061 0.000 2.103 162 K HA -0.484 nan 4.320 nan 0.000 0.207 162 K C 2.171 178.656 176.600 -0.190 0.000 1.048 162 K CA 3.706 59.852 56.287 -0.235 0.000 0.930 162 K CB -0.394 31.840 32.500 -0.442 0.000 0.716 162 K HN -0.640 7.702 8.250 0.154 0.000 0.444 163 E N -0.450 119.671 120.200 -0.131 0.000 2.031 163 E HA -0.315 nan 4.350 nan 0.000 0.193 163 E C 2.236 178.758 176.600 -0.130 0.000 0.994 163 E CA 3.287 59.616 56.400 -0.118 0.000 0.800 163 E CB 0.162 29.805 29.700 -0.095 0.000 0.752 163 E HN -0.656 7.564 8.360 -0.105 0.076 0.447 164 V N 0.085 119.916 119.914 -0.138 0.000 2.261 164 V HA -0.440 nan 4.120 nan 0.000 0.246 164 V C 2.317 178.232 176.094 -0.298 0.000 1.047 164 V CA 4.325 66.513 62.300 -0.187 0.000 1.015 164 V CB -0.870 30.900 31.823 -0.089 0.000 0.642 164 V HN 0.080 8.203 8.190 -0.113 0.000 0.446 165 M N -1.860 117.535 119.600 -0.342 0.000 2.144 165 M HA -0.540 nan 4.480 nan 0.000 0.260 165 M C 2.264 178.450 176.300 -0.189 0.000 1.067 165 M CA 4.204 59.268 55.300 -0.392 0.000 1.095 165 M CB -0.721 31.761 32.600 -0.197 0.000 1.365 165 M HN 0.725 8.750 8.290 -0.247 0.117 0.406 166 E N -0.877 119.242 120.200 -0.135 0.000 2.072 166 E HA -0.346 nan 4.350 nan 0.000 0.190 166 E C 2.188 178.801 176.600 0.022 0.000 0.982 166 E CA 2.896 59.264 56.400 -0.054 0.000 0.803 166 E CB -0.262 29.399 29.700 -0.064 0.000 0.755 166 E HN -0.337 7.920 8.360 -0.159 0.008 0.453 167 Y N 1.099 121.312 120.300 -0.146 0.000 2.207 167 Y HA -0.506 nan 4.550 nan 0.000 0.287 167 Y C 2.181 178.080 175.900 -0.002 0.000 1.156 167 Y CA 3.743 61.757 58.100 -0.145 0.000 1.182 167 Y CB -0.070 38.215 38.460 -0.293 0.000 0.979 167 Y HN -0.701 7.582 8.280 0.007 0.000 0.521 168 H N -2.085 116.949 119.070 -0.061 0.000 2.343 168 H HA -0.194 nan 4.556 nan 0.000 0.303 168 H C 2.739 178.046 175.328 -0.035 0.000 1.068 168 H CA 2.656 58.644 56.048 -0.100 0.000 1.359 168 H CB -0.262 29.474 29.762 -0.044 0.000 1.402 168 H HN -0.370 7.841 8.280 -0.109 0.004 0.515 169 N N 0.180 118.936 118.700 0.094 0.000 2.094 169 N HA -0.357 nan 4.740 nan 0.000 0.191 169 N C 1.971 177.525 175.510 0.074 0.000 1.023 169 N CA 3.192 56.283 53.050 0.069 0.000 0.857 169 N CB -0.416 38.089 38.487 0.029 0.000 1.013 169 N HN 0.038 8.335 8.380 0.042 0.109 0.426 170 F N 0.721 120.643 119.950 -0.048 0.000 2.043 170 F HA -0.448 nan 4.527 nan 0.000 0.297 170 F C 0.975 176.751 175.800 -0.040 0.000 1.121 170 F CA 3.926 61.894 58.000 -0.053 0.000 1.199 170 F CB 0.091 39.039 39.000 -0.085 0.000 0.968 170 F HN 0.358 8.776 8.300 0.197 0.000 0.478 171 Q N -1.551 118.416 119.800 0.279 0.000 2.291 171 Q HA -0.349 nan 4.340 nan 0.000 0.205 171 Q C 2.304 178.439 176.000 0.226 0.000 0.970 171 Q CA 2.700 58.624 55.803 0.202 0.000 0.876 171 Q CB -0.382 28.401 28.738 0.076 0.000 0.935 171 Q HN -0.545 7.858 8.270 0.222 0.000 0.455 172 L N -0.129 121.221 121.223 0.212 0.000 1.973 172 L HA -0.412 nan 4.340 nan 0.000 0.208 172 L C 2.300 179.261 176.870 0.152 0.000 1.073 172 L CA 3.182 58.180 54.840 0.263 0.000 0.746 172 L CB -0.040 42.103 42.059 0.140 0.000 0.891 172 L HN -0.079 8.137 8.230 0.159 0.109 0.433 173 V N -1.744 118.184 119.914 0.024 0.000 2.237 173 V HA -0.516 nan 4.120 nan 0.000 0.245 173 V C 2.848 178.878 176.094 -0.106 0.000 1.046 173 V CA 4.469 66.742 62.300 -0.046 0.000 1.007 173 V CB -0.778 30.992 31.823 -0.088 0.000 0.638 173 V HN -0.052 8.145 8.190 0.012 0.000 0.445 174 N N -1.584 116.974 118.700 -0.236 0.000 2.106 174 N HA -0.264 nan 4.740 nan 0.000 0.188 174 N C 1.781 177.226 175.510 -0.109 0.000 1.029 174 N CA 3.234 56.111 53.050 -0.288 0.000 0.848 174 N CB -0.040 38.021 38.487 -0.710 0.000 1.007 174 N HN -0.013 8.178 8.380 -0.315 0.000 0.423 175 Y N 1.045 121.213 120.300 -0.219 0.000 2.159 175 Y HA -0.266 nan 4.550 nan 0.000 0.285 175 Y C 2.421 178.150 175.900 -0.285 0.000 1.106 175 Y CA 3.485 61.411 58.100 -0.290 0.000 1.095 175 Y CB 0.525 38.710 38.460 -0.458 0.000 1.015 175 Y HN -0.619 7.556 8.280 0.021 0.118 0.491 176 Y N -3.530 116.723 120.300 -0.078 0.000 2.509 176 Y HA -0.271 nan 4.550 nan 0.000 0.293 176 Y C -0.465 175.363 175.900 -0.120 0.000 1.133 176 Y CA 2.158 60.164 58.100 -0.157 0.000 1.283 176 Y CB 0.096 38.532 38.460 -0.041 0.000 1.001 176 Y HN -0.614 7.637 8.280 -0.049 0.000 0.555 177 K N -4.555 115.858 120.400 0.023 0.000 3.939 177 K HA -0.415 nan 4.320 nan 0.000 0.281 177 K C -1.450 175.166 176.600 0.026 0.000 0.981 177 K CA 0.200 56.484 56.287 -0.004 0.000 0.833 177 K CB -2.367 30.112 32.500 -0.036 0.000 1.501 177 K HN -0.456 7.679 8.250 0.007 0.119 0.445 178 A N -0.285 122.561 122.820 0.044 0.000 2.469 178 A HA 0.216 nan 4.320 nan 0.000 0.299 178 A C -1.659 175.937 177.584 0.020 0.000 1.098 178 A CA -0.676 51.380 52.037 0.032 0.000 0.737 178 A CB 1.863 20.888 19.000 0.042 0.000 1.312 178 A HN -0.547 7.633 8.150 0.050 0.000 0.414 179 E N -0.071 120.136 120.200 0.012 0.000 2.398 179 E HA 0.160 nan 4.350 nan 0.000 0.263 179 E C -0.778 175.835 176.600 0.021 0.000 1.046 179 E CA 0.855 57.262 56.400 0.011 0.000 0.908 179 E CB 0.954 30.660 29.700 0.010 0.000 0.963 179 E HN 0.400 8.766 8.360 0.009 0.000 0.431 180 A N 2.391 125.224 122.820 0.021 0.000 2.267 180 A HA 0.274 nan 4.320 nan 0.000 0.271 180 A C -1.032 176.580 177.584 0.046 0.000 1.131 180 A CA -0.215 51.842 52.037 0.033 0.000 0.818 180 A CB 1.419 20.432 19.000 0.022 0.000 1.118 180 A HN 0.083 8.241 8.150 0.013 0.000 0.501 181 V N -0.373 119.579 119.914 0.064 0.000 2.384 181 V HA 0.079 nan 4.120 nan 0.000 0.287 181 V C -1.134 175.018 176.094 0.095 0.000 1.020 181 V CA -0.704 61.648 62.300 0.086 0.000 0.850 181 V CB 1.261 33.162 31.823 0.130 0.000 0.987 181 V HN -0.163 8.371 8.190 0.062 -0.307 0.436 182 D N 6.955 127.409 120.400 0.090 0.000 2.342 182 D HA -0.081 nan 4.640 nan 0.000 0.260 182 D C 0.250 176.637 176.300 0.145 0.000 1.278 182 D CA -0.002 54.062 54.000 0.107 0.000 0.910 182 D CB 0.709 41.555 40.800 0.076 0.000 1.079 182 D HN 0.183 8.599 8.370 0.076 0.000 0.496 183 Y N 8.450 128.760 120.300 0.017 0.000 2.193 183 Y HA -0.539 nan 4.550 nan 0.000 0.285 183 Y C 1.044 176.962 175.900 0.030 0.000 1.166 183 Y CA 3.807 61.914 58.100 0.012 0.000 1.181 183 Y CB 0.288 38.734 38.460 -0.022 0.000 0.976 183 Y HN 0.249 8.685 8.280 0.260 0.000 0.520 184 Q N -1.731 118.086 119.800 0.028 0.000 2.167 184 Q HA -0.365 nan 4.340 nan 0.000 0.202 184 Q C 2.007 177.948 176.000 -0.098 0.000 0.970 184 Q CA 3.133 58.872 55.803 -0.106 0.000 0.855 184 Q CB -0.507 28.257 28.738 0.045 0.000 0.911 184 Q HN -0.025 8.534 8.270 0.214 -0.160 0.438 185 K N -0.239 120.145 120.400 -0.026 0.000 2.062 185 K HA -0.211 nan 4.320 nan 0.000 0.205 185 K C 2.141 178.734 176.600 -0.012 0.000 1.051 185 K CA 3.270 59.552 56.287 -0.008 0.000 0.941 185 K CB 0.035 32.547 32.500 0.020 0.000 0.719 185 K HN -0.112 8.286 8.250 0.015 -0.139 0.440 186 V N 0.588 120.500 119.914 -0.003 0.000 2.343 186 V HA -0.347 nan 4.120 nan 0.000 0.247 186 V C 2.136 178.234 176.094 0.007 0.000 1.051 186 V CA 4.112 66.432 62.300 0.034 0.000 1.036 186 V CB -0.909 30.981 31.823 0.112 0.000 0.654 186 V HN -0.618 7.574 8.190 0.004 0.000 0.451 187 L N -0.315 120.836 121.223 -0.120 0.000 1.955 187 L HA -0.485 nan 4.340 nan 0.000 0.213 187 L C 1.311 178.168 176.870 -0.022 0.000 1.072 187 L CA 3.704 58.481 54.840 -0.106 0.000 0.755 187 L CB -0.672 41.162 42.059 -0.375 0.000 0.888 187 L HN -0.035 8.051 8.230 -0.240 0.000 0.432 188 D N -1.550 118.821 120.400 -0.049 0.000 2.126 188 D HA -0.444 nan 4.640 nan 0.000 0.190 188 D C 2.453 178.744 176.300 -0.015 0.000 1.001 188 D CA 3.465 57.450 54.000 -0.024 0.000 0.841 188 D CB -0.746 40.042 40.800 -0.021 0.000 0.949 188 D HN 0.017 8.339 8.370 -0.081 0.000 0.446 189 D N -0.748 119.647 120.400 -0.008 0.000 2.108 189 D HA -0.301 nan 4.640 nan 0.000 0.190 189 D C 2.580 178.871 176.300 -0.016 0.000 0.995 189 D CA 3.045 57.040 54.000 -0.007 0.000 0.834 189 D CB -0.144 40.658 40.800 0.004 0.000 0.967 189 D HN 0.032 8.397 8.370 -0.008 0.000 0.446 190 T N 2.028 116.584 114.554 0.004 0.000 2.746 190 T HA -0.274 nan 4.350 nan 0.000 0.267 190 T C 2.292 176.923 174.700 -0.114 0.000 1.039 190 T CA 3.858 65.933 62.100 -0.042 0.000 1.142 190 T CB -0.193 68.686 68.868 0.018 0.000 0.866 190 T HN -0.090 8.173 8.240 0.039 0.000 0.444 191 M N 0.558 120.112 119.600 -0.076 0.000 2.108 191 M HA -0.323 nan 4.480 nan 0.000 0.261 191 M C 2.587 178.834 176.300 -0.088 0.000 1.066 191 M CA 1.612 56.853 55.300 -0.098 0.000 1.107 191 M CB -1.628 30.947 32.600 -0.041 0.000 1.356 191 M HN 0.101 8.383 8.290 -0.014 0.000 0.406 192 A N -1.680 121.103 122.820 -0.060 0.000 2.084 192 A HA -0.188 nan 4.320 nan 0.000 0.221 192 A C 1.124 178.668 177.584 -0.066 0.000 1.161 192 A CA 2.673 54.679 52.037 -0.052 0.000 0.653 192 A CB -0.287 18.690 19.000 -0.037 0.000 0.802 192 A HN -0.177 7.946 8.150 -0.046 0.000 0.457 193 V N -8.885 110.977 119.914 -0.086 0.000 3.556 193 V HA 0.279 nan 4.120 nan 0.000 0.287 193 V C 1.141 177.156 176.094 -0.132 0.000 1.422 193 V CA -1.058 61.185 62.300 -0.094 0.000 1.038 193 V CB -0.544 31.231 31.823 -0.080 0.000 0.850 193 V HN -0.464 7.501 8.190 -0.095 0.168 0.437 194 A N 2.712 125.431 122.820 -0.168 0.000 1.877 194 A HA -0.497 nan 4.320 nan 0.000 0.218 194 A C 1.186 178.639 177.584 -0.217 0.000 1.301 194 A CA 3.686 55.586 52.037 -0.228 0.000 0.699 194 A CB -0.982 17.872 19.000 -0.244 0.000 0.844 194 A HN 0.100 8.036 8.150 -0.160 0.118 0.464 195 D N -2.250 118.044 120.400 -0.177 0.000 2.315 195 D HA -0.282 nan 4.640 nan 0.000 0.211 195 D C 2.356 178.573 176.300 -0.139 0.000 0.977 195 D CA 2.923 56.826 54.000 -0.162 0.000 0.894 195 D CB -0.607 40.126 40.800 -0.111 0.000 0.910 195 D HN 0.221 8.500 8.370 -0.150 0.000 0.490 196 I N -0.013 120.484 120.570 -0.121 0.000 2.110 196 I HA -0.395 nan 4.170 nan 0.000 0.236 196 I C 1.842 177.893 176.117 -0.110 0.000 1.068 196 I CA 3.310 64.553 61.300 -0.095 0.000 1.333 196 I CB -0.078 37.875 38.000 -0.079 0.000 1.054 196 I HN -0.507 7.481 8.210 -0.123 0.148 0.402 197 L N -0.869 120.274 121.223 -0.133 0.000 1.944 197 L HA -0.528 nan 4.340 nan 0.000 0.218 197 L C 2.150 178.912 176.870 -0.179 0.000 1.075 197 L CA 3.799 58.557 54.840 -0.137 0.000 0.767 197 L CB -1.285 40.682 42.059 -0.152 0.000 0.890 197 L HN -0.541 7.606 8.230 -0.138 0.000 0.434 198 T N -1.960 112.413 114.554 -0.302 0.000 2.751 198 T HA -0.409 nan 4.350 nan 0.000 0.268 198 T C 2.728 177.285 174.700 -0.238 0.000 1.045 198 T CA 3.896 65.703 62.100 -0.488 0.000 1.142 198 T CB -0.920 67.444 68.868 -0.840 0.000 0.851 198 T HN 0.220 8.273 8.240 -0.311 0.000 0.474 199 S N 3.193 118.807 115.700 -0.143 0.000 2.489 199 S HA -0.118 nan 4.470 nan 0.000 0.228 199 S C 0.777 175.364 174.600 -0.022 0.000 0.995 199 S CA 2.633 60.799 58.200 -0.057 0.000 0.934 199 S CB -0.652 62.518 63.200 -0.051 0.000 0.771 199 S HN -0.336 7.757 8.310 -0.156 0.123 0.522 200 M N 0.259 119.840 119.600 -0.033 0.000 2.495 200 M HA 0.006 nan 4.480 nan 0.000 0.237 200 M C -0.948 175.361 176.300 0.016 0.000 1.131 200 M CA 0.409 55.704 55.300 -0.009 0.000 1.032 200 M CB 1.057 33.646 32.600 -0.019 0.000 1.513 200 M HN 0.259 8.347 8.290 -0.063 0.165 0.488 201 V N 0.442 120.378 119.914 0.037 0.000 2.655 201 V HA 0.079 nan 4.120 nan 0.000 0.300 201 V C -0.703 175.445 176.094 0.090 0.000 1.044 201 V CA 1.795 64.149 62.300 0.091 0.000 1.095 201 V CB 0.129 32.073 31.823 0.202 0.000 0.952 201 V HN -0.794 7.238 8.190 0.019 0.170 0.485 202 V N 5.476 125.430 119.914 0.067 0.000 3.216 202 V HA 0.274 nan 4.120 nan 0.000 0.302 202 V C -1.894 174.217 176.094 0.028 0.000 1.286 202 V CA -1.366 60.958 62.300 0.041 0.000 1.048 202 V CB 4.903 36.736 31.823 0.017 0.000 1.081 202 V HN 0.036 8.265 8.190 0.065 0.000 0.442 203 D N 4.002 124.409 120.400 0.011 0.000 2.435 203 D HA 0.081 nan 4.640 nan 0.000 0.230 203 D C 0.724 177.021 176.300 -0.005 0.000 1.215 203 D CA -0.226 53.777 54.000 0.005 0.000 0.947 203 D CB -0.524 40.274 40.800 -0.003 0.000 1.048 203 D HN 0.034 8.408 8.370 0.007 0.000 0.512 204 V N 5.132 125.049 119.914 0.005 0.000 2.233 204 V HA -0.417 nan 4.120 nan 0.000 0.247 204 V C 1.312 177.407 176.094 0.003 0.000 1.050 204 V CA 3.769 66.067 62.300 -0.003 0.000 1.010 204 V CB -0.260 31.578 31.823 0.026 0.000 0.637 204 V HN -0.299 7.902 8.190 0.019 0.000 0.444 205 S N -1.969 113.747 115.700 0.027 0.000 2.442 205 S HA -0.370 nan 4.470 nan 0.000 0.236 205 S C 1.744 176.352 174.600 0.013 0.000 1.007 205 S CA 3.542 61.764 58.200 0.036 0.000 0.965 205 S CB -0.571 62.658 63.200 0.048 0.000 0.773 205 S HN 0.379 8.709 8.310 0.033 0.000 0.504 206 D N 2.639 123.037 120.400 -0.003 0.000 2.110 206 D HA -0.140 nan 4.640 nan 0.000 0.202 206 D C 1.424 177.703 176.300 -0.035 0.000 0.975 206 D CA 2.692 56.684 54.000 -0.014 0.000 0.839 206 D CB 0.195 40.987 40.800 -0.013 0.000 0.996 206 D HN -0.824 7.507 8.370 -0.002 0.038 0.464 207 L N 0.395 121.584 121.223 -0.056 0.000 2.079 207 L HA -0.327 nan 4.340 nan 0.000 0.210 207 L C 2.114 178.899 176.870 -0.142 0.000 1.081 207 L CA 3.430 58.205 54.840 -0.108 0.000 0.752 207 L CB -0.225 41.740 42.059 -0.156 0.000 0.896 207 L HN -0.420 7.782 8.230 -0.047 0.000 0.433 208 L N -1.980 119.183 121.223 -0.100 0.000 2.027 208 L HA -0.453 nan 4.340 nan 0.000 0.206 208 L C 1.860 178.715 176.870 -0.026 0.000 1.074 208 L CA 3.487 58.294 54.840 -0.054 0.000 0.745 208 L CB -0.725 41.364 42.059 0.050 0.000 0.898 208 L HN 0.458 8.646 8.230 -0.070 0.000 0.433 209 D N -0.946 119.433 120.400 -0.034 0.000 2.117 209 D HA -0.273 nan 4.640 nan 0.000 0.198 209 D C 2.371 178.628 176.300 -0.071 0.000 0.982 209 D CA 3.367 57.320 54.000 -0.078 0.000 0.828 209 D CB -0.058 40.703 40.800 -0.066 0.000 0.967 209 D HN -0.510 7.848 8.370 -0.021 0.000 0.464 210 Q N -0.745 119.027 119.800 -0.046 0.000 2.112 210 Q HA -0.405 nan 4.340 nan 0.000 0.206 210 Q C 2.515 178.509 176.000 -0.010 0.000 0.987 210 Q CA 3.041 58.826 55.803 -0.030 0.000 0.858 210 Q CB -0.020 28.705 28.738 -0.021 0.000 0.905 210 Q HN 0.578 8.703 8.270 -0.043 0.119 0.420 211 A N -1.233 121.588 122.820 0.002 0.000 1.972 211 A HA -0.296 nan 4.320 nan 0.000 0.219 211 A C 1.689 179.307 177.584 0.056 0.000 1.169 211 A CA 2.871 54.962 52.037 0.090 0.000 0.635 211 A CB -0.753 18.340 19.000 0.154 0.000 0.810 211 A HN 0.470 8.397 8.150 -0.037 0.200 0.446 212 R N -1.684 118.817 120.500 0.002 0.000 2.090 212 R HA -0.295 nan 4.340 nan 0.000 0.228 212 R C 3.121 179.386 176.300 -0.057 0.000 1.110 212 R CA 3.096 59.175 56.100 -0.034 0.000 0.973 212 R CB -0.145 30.062 30.300 -0.155 0.000 0.869 212 R HN 0.048 8.213 8.270 -0.018 0.094 0.440 213 Q N -0.592 119.167 119.800 -0.068 0.000 2.181 213 Q HA -0.267 nan 4.340 nan 0.000 0.205 213 Q C 1.728 177.706 176.000 -0.037 0.000 0.980 213 Q CA 2.862 58.631 55.803 -0.058 0.000 0.862 213 Q CB 0.104 28.813 28.738 -0.048 0.000 0.905 213 Q HN 0.158 8.310 8.270 -0.073 0.074 0.429 214 R N -3.671 116.812 120.500 -0.028 0.000 2.432 214 R HA 0.216 nan 4.340 nan 0.000 0.260 214 R C 0.150 176.413 176.300 -0.062 0.000 0.935 214 R CA -0.343 55.735 56.100 -0.037 0.000 1.080 214 R CB 0.173 30.455 30.300 -0.029 0.000 1.155 214 R HN -0.551 7.600 8.270 -0.016 0.109 0.531 215 G N 0.148 108.916 108.800 -0.054 0.000 2.147 215 G HA2 -0.467 nan 3.960 nan 0.000 0.244 215 G HA3 -0.467 nan 3.960 nan 0.000 0.244 215 G C -0.417 174.361 174.900 -0.204 0.000 1.005 215 G CA 0.181 45.220 45.100 -0.103 0.000 0.713 215 G HN -0.472 7.680 8.290 -0.030 0.120 0.515 216 D N 0.649 120.983 120.400 -0.110 0.000 2.341 216 D HA -0.056 nan 4.640 nan 0.000 0.245 216 D C -0.367 175.907 176.300 -0.043 0.000 1.106 216 D CA 0.406 54.317 54.000 -0.150 0.000 0.905 216 D CB 0.982 41.775 40.800 -0.013 0.000 1.202 216 D HN -0.432 7.924 8.370 -0.023 0.000 0.426 217 F N 0.086 119.968 119.950 -0.114 0.000 2.445 217 F HA 0.057 nan 4.527 nan 0.000 0.359 217 F C -0.221 175.550 175.800 -0.048 0.000 1.101 217 F CA -1.218 56.694 58.000 -0.146 0.000 1.177 217 F CB 0.508 39.148 39.000 -0.600 0.000 1.110 217 F HN -0.104 8.056 8.300 -0.233 0.000 0.522 218 V N 6.218 126.357 119.914 0.376 0.000 2.680 218 V HA 0.684 nan 4.120 nan 0.000 0.309 218 V C -2.097 174.122 176.094 0.208 0.000 1.052 218 V CA -1.545 60.867 62.300 0.187 0.000 0.908 218 V CB 3.405 35.270 31.823 0.069 0.000 1.001 218 V HN 1.361 9.748 8.190 0.534 0.123 0.431 219 M N 5.183 124.796 119.600 0.022 0.000 2.259 219 M HA 0.717 nan 4.480 nan 0.000 0.304 219 M C -2.217 173.993 176.300 -0.149 0.000 1.019 219 M CA -1.345 54.006 55.300 0.086 0.000 0.922 219 M CB 3.807 36.557 32.600 0.250 0.000 1.600 219 M HN 0.062 8.323 8.290 -0.048 0.000 0.433 220 F N 5.317 125.354 119.950 0.144 0.000 2.405 220 F HA 0.464 nan 4.527 nan 0.000 0.355 220 F C -1.356 174.605 175.800 0.269 0.000 1.121 220 F CA -1.117 56.980 58.000 0.162 0.000 1.112 220 F CB 0.875 39.838 39.000 -0.061 0.000 1.126 220 F HN 1.140 9.533 8.300 0.346 0.115 0.481 221 E N 3.146 123.635 120.200 0.483 0.000 2.133 221 E HA 0.668 nan 4.350 nan 0.000 0.274 221 E C -0.370 176.454 176.600 0.374 0.000 0.930 221 E CA -2.259 54.369 56.400 0.380 0.000 0.770 221 E CB 1.490 31.308 29.700 0.197 0.000 1.104 221 E HN 0.874 9.394 8.360 0.457 0.114 0.403 222 G N 2.313 111.326 108.800 0.355 0.000 2.420 222 G HA2 0.242 nan 3.960 nan 0.000 0.284 222 G HA3 0.242 nan 3.960 nan 0.000 0.284 222 G C -1.403 173.527 174.900 0.051 0.000 1.177 222 G CA -0.998 44.163 45.100 0.101 0.000 0.841 222 G HN 0.183 8.691 8.290 0.364 0.000 0.527 223 A N 2.645 125.452 122.820 -0.020 0.000 1.956 223 A HA 0.171 nan 4.320 nan 0.000 0.212 223 A C 0.131 177.743 177.584 0.046 0.000 1.188 223 A CA 1.250 53.305 52.037 0.031 0.000 0.675 223 A CB 1.419 20.430 19.000 0.020 0.000 0.845 223 A HN 0.729 9.222 8.150 -0.107 -0.407 0.455 224 Q N -2.235 117.584 119.800 0.031 0.000 2.576 224 Q HA 0.207 nan 4.340 nan 0.000 0.249 224 Q C -0.487 175.539 176.000 0.043 0.000 1.041 224 Q CA -2.294 53.532 55.803 0.039 0.000 0.928 224 Q CB 2.772 31.530 28.738 0.034 0.000 1.302 224 Q HN -0.551 7.726 8.270 0.011 0.000 0.504 225 G N -2.168 106.657 108.800 0.041 0.000 2.420 225 G HA2 0.152 nan 3.960 nan 0.000 0.284 225 G HA3 0.152 nan 3.960 nan 0.000 0.284 225 G C 0.473 175.377 174.900 0.006 0.000 1.177 225 G CA -0.911 44.201 45.100 0.019 0.000 0.841 225 G HN 0.135 8.455 8.290 0.049 0.000 0.527 226 T N 6.385 120.925 114.554 -0.024 0.000 2.684 226 T HA -0.363 nan 4.350 nan 0.000 0.267 226 T C 2.470 177.153 174.700 -0.029 0.000 1.036 226 T CA 4.838 66.927 62.100 -0.018 0.000 1.148 226 T CB -0.103 68.744 68.868 -0.035 0.000 0.863 226 T HN 0.203 8.423 8.240 -0.033 0.000 0.436 227 L N -0.603 120.535 121.223 -0.142 0.000 2.633 227 L HA -0.164 nan 4.340 nan 0.000 0.235 227 L C 0.183 177.112 176.870 0.099 0.000 1.163 227 L CA 2.001 56.764 54.840 -0.127 0.000 0.859 227 L CB -0.673 41.038 42.059 -0.580 0.000 0.973 227 L HN -0.118 7.958 8.230 -0.255 0.000 0.451 228 L N -3.657 117.631 121.223 0.109 0.000 2.808 228 L HA 0.108 nan 4.340 nan 0.000 0.246 228 L C -0.734 176.194 176.870 0.096 0.000 1.153 228 L CA -1.475 53.450 54.840 0.142 0.000 0.956 228 L CB 0.135 42.275 42.059 0.136 0.000 1.270 228 L HN -0.676 7.501 8.230 0.056 0.086 0.528 229 D N 1.578 122.033 120.400 0.090 0.000 2.479 229 D HA -0.206 nan 4.640 nan 0.000 0.257 229 D C 1.062 177.410 176.300 0.081 0.000 1.230 229 D CA 0.982 55.032 54.000 0.082 0.000 0.912 229 D CB 0.631 41.498 40.800 0.111 0.000 1.130 229 D HN -0.146 8.115 8.370 0.086 0.161 0.515 230 I N 7.432 128.029 120.570 0.045 0.000 2.231 230 I HA -0.547 nan 4.170 nan 0.000 0.251 230 I C -0.489 175.663 176.117 0.058 0.000 1.076 230 I CA 2.885 64.215 61.300 0.048 0.000 1.347 230 I CB 0.293 38.285 38.000 -0.014 0.000 1.038 230 I HN 0.682 8.905 8.210 0.022 0.000 0.429 231 D N -2.537 117.852 120.400 -0.020 0.000 2.628 231 D HA -0.016 nan 4.640 nan 0.000 0.258 231 D C 1.460 177.673 176.300 -0.146 0.000 1.165 231 D CA 2.352 56.255 54.000 -0.163 0.000 0.991 231 D CB 0.169 40.734 40.800 -0.391 0.000 1.104 231 D HN -0.635 7.832 8.370 -0.005 -0.100 0.438 232 H N -1.023 118.082 119.070 0.059 0.000 2.521 232 H HA -0.056 nan 4.556 nan 0.000 0.286 232 H C 1.411 176.810 175.328 0.118 0.000 1.034 232 H CA 1.488 57.579 56.048 0.073 0.000 1.278 232 H CB 0.338 30.129 29.762 0.048 0.000 1.386 232 H HN 0.212 8.913 8.280 -0.005 -0.425 0.567 233 G N -1.255 107.671 108.800 0.209 0.000 2.583 233 G HA2 -0.007 nan 3.960 nan 0.000 0.275 233 G HA3 -0.007 nan 3.960 nan 0.000 0.275 233 G C 0.112 175.163 174.900 0.252 0.000 1.342 233 G CA -0.326 44.900 45.100 0.210 0.000 1.030 233 G HN -0.388 7.973 8.290 0.172 0.032 0.520 234 T N -0.055 114.632 114.554 0.223 0.000 4.280 234 T HA 0.017 nan 4.350 nan 0.000 0.245 234 T C -0.536 174.275 174.700 0.186 0.000 1.100 234 T CA -0.821 61.359 62.100 0.134 0.000 1.137 234 T CB -2.228 66.566 68.868 -0.125 0.000 1.296 234 T HN -0.202 8.177 8.240 0.232 0.000 0.998 235 Y N 7.064 127.435 120.300 0.118 0.000 2.578 235 Y HA -0.211 nan 4.550 nan 0.000 0.339 235 Y C -2.046 173.910 175.900 0.093 0.000 1.231 235 Y CA -1.137 57.009 58.100 0.077 0.000 1.461 235 Y CB 0.689 39.185 38.460 0.060 0.000 1.323 235 Y HN -0.226 8.226 8.280 0.379 0.055 0.590 236 P HA -0.033 nan 4.420 nan 0.000 0.249 236 P C -1.295 175.545 177.300 -0.767 0.000 1.229 236 P CA 0.840 63.191 63.100 -1.248 0.000 0.788 236 P CB 0.562 31.601 31.700 -1.102 0.000 1.072 237 Y N 1.417 121.563 120.300 -0.257 0.000 2.532 237 Y HA -0.061 nan 4.550 nan 0.000 0.337 237 Y C -1.341 174.491 175.900 -0.113 0.000 1.274 237 Y CA 0.224 58.216 58.100 -0.181 0.000 1.817 237 Y CB -2.508 35.845 38.460 -0.178 0.000 1.769 237 Y HN -0.611 7.613 8.280 0.016 0.066 0.447 238 V N -3.495 116.375 119.914 -0.073 0.000 3.158 238 V HA 0.727 nan 4.120 nan 0.000 0.311 238 V C -1.166 174.923 176.094 -0.009 0.000 1.181 238 V CA -3.151 59.153 62.300 0.006 0.000 1.054 238 V CB 2.848 34.695 31.823 0.039 0.000 1.085 238 V HN -0.453 7.591 8.190 -0.193 0.030 0.446 239 T N 0.680 115.245 114.554 0.019 0.000 2.912 239 T HA 0.447 nan 4.350 nan 0.000 0.280 239 T C 0.800 175.499 174.700 -0.001 0.000 0.989 239 T CA -1.403 60.703 62.100 0.009 0.000 0.995 239 T CB 1.819 70.701 68.868 0.023 0.000 1.077 239 T HN 0.083 8.348 8.240 0.041 0.000 0.531 240 S N 0.869 116.571 115.700 0.002 0.000 2.442 240 S HA -0.118 nan 4.470 nan 0.000 0.236 240 S C -0.686 173.843 174.600 -0.117 0.000 1.007 240 S CA 2.487 60.684 58.200 -0.006 0.000 0.965 240 S CB 0.095 63.345 63.200 0.084 0.000 0.773 240 S HN 0.557 8.876 8.310 0.014 0.000 0.504 241 S N 0.420 116.058 115.700 -0.103 0.000 2.841 241 S HA 0.279 nan 4.470 nan 0.000 0.318 241 S C -2.008 172.534 174.600 -0.097 0.000 1.127 241 S CA -1.445 56.634 58.200 -0.202 0.000 0.883 241 S CB 2.214 65.339 63.200 -0.125 0.000 1.271 241 S HN -0.791 7.452 8.310 -0.037 0.045 0.567 242 N N 0.202 118.852 118.700 -0.083 0.000 2.455 242 N HA 0.139 nan 4.740 nan 0.000 0.280 242 N C -0.365 175.164 175.510 0.032 0.000 1.055 242 N CA 0.218 53.267 53.050 -0.002 0.000 0.961 242 N CB 1.037 39.536 38.487 0.019 0.000 1.121 242 N HN 0.102 8.404 8.380 -0.131 0.000 0.476 243 T N -1.100 113.489 114.554 0.058 0.000 3.174 243 T HA 0.186 nan 4.350 nan 0.000 0.269 243 T C 0.049 174.811 174.700 0.102 0.000 1.017 243 T CA -1.237 60.903 62.100 0.067 0.000 0.899 243 T CB 0.508 69.406 68.868 0.050 0.000 1.077 243 T HN -0.189 8.266 8.240 0.066 -0.175 0.552 244 T N -2.525 112.100 114.554 0.117 0.000 2.950 244 T HA 0.373 nan 4.350 nan 0.000 0.288 244 T C 0.778 175.547 174.700 0.114 0.000 1.035 244 T CA -2.429 59.729 62.100 0.097 0.000 1.028 244 T CB 3.051 71.955 68.868 0.059 0.000 1.109 244 T HN -0.909 7.351 8.240 0.117 0.051 0.514 245 A N 1.198 124.039 122.820 0.035 0.000 1.997 245 A HA -0.288 nan 4.320 nan 0.000 0.221 245 A C 1.916 179.443 177.584 -0.095 0.000 1.172 245 A CA 3.277 55.281 52.037 -0.055 0.000 0.645 245 A CB -0.431 18.511 19.000 -0.097 0.000 0.813 245 A HN 0.511 9.020 8.150 0.015 -0.350 0.454 246 G N -2.450 106.324 108.800 -0.043 0.000 2.498 246 G HA2 -0.272 nan 3.960 nan 0.000 0.219 246 G HA3 -0.272 nan 3.960 nan 0.000 0.219 246 G C 1.048 175.940 174.900 -0.013 0.000 1.119 246 G CA 0.888 45.961 45.100 -0.045 0.000 0.766 246 G HN -0.320 7.930 8.290 -0.019 0.029 0.552 247 G N -0.461 108.377 108.800 0.065 0.000 2.848 247 G HA2 -0.037 nan 3.960 nan 0.000 0.208 247 G HA3 -0.037 nan 3.960 nan 0.000 0.208 247 G C 0.657 175.639 174.900 0.136 0.000 1.152 247 G CA 0.508 45.692 45.100 0.140 0.000 0.789 247 G HN -0.054 8.159 8.290 0.104 0.140 0.531 248 V N 1.914 121.736 119.914 -0.152 0.000 2.358 248 V HA -0.354 nan 4.120 nan 0.000 0.246 248 V C 1.443 177.397 176.094 -0.234 0.000 1.047 248 V CA 3.927 65.962 62.300 -0.442 0.000 1.035 248 V CB -0.938 30.373 31.823 -0.854 0.000 0.658 248 V HN -0.090 7.909 8.190 -0.199 0.071 0.452 249 A N -1.976 120.745 122.820 -0.165 0.000 1.873 249 A HA -0.328 nan 4.320 nan 0.000 0.215 249 A C 2.135 179.715 177.584 -0.006 0.000 1.186 249 A CA 3.520 55.505 52.037 -0.088 0.000 0.616 249 A CB -0.773 18.180 19.000 -0.079 0.000 0.823 249 A HN 0.074 8.121 8.150 -0.171 0.000 0.442 250 T N 0.002 114.568 114.554 0.019 0.000 2.708 250 T HA -0.274 nan 4.350 nan 0.000 0.266 250 T C 1.986 176.748 174.700 0.102 0.000 1.037 250 T CA 4.028 66.164 62.100 0.059 0.000 1.146 250 T CB -0.263 68.646 68.868 0.068 0.000 0.865 250 T HN 0.098 8.341 8.240 0.004 0.000 0.435 251 G N -1.052 107.842 108.800 0.156 0.000 2.448 251 G HA2 -0.120 nan 3.960 nan 0.000 0.219 251 G HA3 -0.120 nan 3.960 nan 0.000 0.219 251 G C 0.572 175.606 174.900 0.224 0.000 1.127 251 G CA 1.620 46.861 45.100 0.235 0.000 0.766 251 G HN 0.338 8.611 8.290 0.163 0.115 0.552 252 S N -0.965 114.844 115.700 0.182 0.000 2.619 252 S HA 0.149 nan 4.470 nan 0.000 0.238 252 S C 0.931 175.607 174.600 0.127 0.000 1.068 252 S CA 0.159 58.475 58.200 0.193 0.000 0.926 252 S CB 2.837 66.225 63.200 0.313 0.000 0.864 252 S HN -0.525 7.859 8.310 0.124 0.000 0.493 253 G N 2.511 111.364 108.800 0.089 0.000 2.141 253 G HA2 -0.277 nan 3.960 nan 0.000 0.195 253 G HA3 -0.277 nan 3.960 nan 0.000 0.195 253 G C -1.071 173.874 174.900 0.076 0.000 1.012 253 G CA 0.129 45.271 45.100 0.071 0.000 0.696 253 G HN -0.127 8.205 8.290 0.071 0.000 0.508 254 L N -0.059 121.204 121.223 0.067 0.000 2.360 254 L HA 0.280 nan 4.340 nan 0.000 0.271 254 L C -0.496 176.426 176.870 0.087 0.000 1.057 254 L CA -0.857 54.048 54.840 0.108 0.000 0.803 254 L CB 1.825 43.942 42.059 0.096 0.000 1.207 254 L HN -0.989 7.261 8.230 0.033 0.000 0.445 255 G N 1.064 109.990 108.800 0.210 0.000 2.636 255 G HA2 0.150 nan 3.960 nan 0.000 0.246 255 G HA3 0.150 nan 3.960 nan 0.000 0.246 255 G C -0.914 173.891 174.900 -0.159 0.000 1.216 255 G CA -1.387 43.706 45.100 -0.012 0.000 0.854 255 G HN -0.015 8.554 8.290 0.466 0.000 0.572 256 P HA -0.156 nan 4.420 nan 0.000 0.216 256 P C 1.677 178.832 177.300 -0.242 0.000 1.153 256 P CA 2.110 65.095 63.100 -0.193 0.000 0.848 256 P CB 0.254 31.859 31.700 -0.158 0.000 0.787 257 R N -3.401 116.873 120.500 -0.376 0.000 2.237 257 R HA -0.157 nan 4.340 nan 0.000 0.219 257 R C 0.877 176.962 176.300 -0.358 0.000 1.080 257 R CA 2.057 57.915 56.100 -0.404 0.000 0.995 257 R CB -0.407 29.604 30.300 -0.482 0.000 0.875 257 R HN 0.473 8.467 8.270 -0.437 0.014 0.462 258 Y N -3.925 116.358 120.300 -0.028 0.000 2.470 258 Y HA 0.009 nan 4.550 nan 0.000 0.284 258 Y C -0.573 175.324 175.900 -0.005 0.000 1.188 258 Y CA -0.936 57.166 58.100 0.004 0.000 1.269 258 Y CB -0.572 37.904 38.460 0.026 0.000 1.094 258 Y HN -0.753 7.232 8.280 -0.419 0.043 0.518 259 V N 2.019 121.936 119.914 0.006 0.000 2.387 259 V HA -0.193 nan 4.120 nan 0.000 0.260 259 V C -0.417 175.686 176.094 0.015 0.000 1.054 259 V CA 0.395 62.672 62.300 -0.039 0.000 0.967 259 V CB -1.769 29.967 31.823 -0.146 0.000 1.036 259 V HN -0.728 7.345 8.190 -0.076 0.072 0.481 260 D N 7.045 127.501 120.400 0.092 0.000 2.202 260 D HA -0.020 nan 4.640 nan 0.000 0.214 260 D C -0.726 175.640 176.300 0.109 0.000 0.967 260 D CA 2.379 56.445 54.000 0.110 0.000 0.871 260 D CB 1.534 42.434 40.800 0.167 0.000 1.020 260 D HN -0.058 8.393 8.370 0.135 0.000 0.474 261 Y N -2.731 117.546 120.300 -0.039 0.000 2.477 261 Y HA 0.122 nan 4.550 nan 0.000 0.347 261 Y C -2.636 173.206 175.900 -0.096 0.000 0.981 261 Y CA -0.766 57.283 58.100 -0.085 0.000 1.033 261 Y CB 3.953 42.336 38.460 -0.128 0.000 1.245 261 Y HN -0.499 7.893 8.280 0.186 0.000 0.455 262 V N 6.631 126.288 119.914 -0.428 0.000 2.357 262 V HA 0.415 nan 4.120 nan 0.000 0.281 262 V C -1.962 173.955 176.094 -0.296 0.000 1.015 262 V CA -1.178 60.980 62.300 -0.236 0.000 0.827 262 V CB 1.102 32.786 31.823 -0.232 0.000 1.018 262 V HN 0.394 8.058 8.190 -0.878 0.000 0.432 263 L N 9.077 130.315 121.223 0.026 0.000 2.260 263 L HA 0.594 nan 4.340 nan 0.000 0.289 263 L C -1.532 175.365 176.870 0.044 0.000 1.057 263 L CA -1.247 53.654 54.840 0.102 0.000 0.811 263 L CB 2.449 44.652 42.059 0.240 0.000 1.184 263 L HN 1.236 9.419 8.230 0.118 0.119 0.429 264 G N 7.023 115.831 108.800 0.014 0.000 2.347 264 G HA2 0.458 nan 3.960 nan 0.000 0.314 264 G HA3 0.458 nan 3.960 nan 0.000 0.314 264 G C -1.229 173.810 174.900 0.231 0.000 1.126 264 G CA -1.514 43.648 45.100 0.103 0.000 0.929 264 G HN 0.218 8.467 8.290 -0.068 0.000 0.441 265 I N 5.883 126.544 120.570 0.153 0.000 2.692 265 I HA 0.208 nan 4.170 nan 0.000 0.284 265 I C -1.440 174.734 176.117 0.095 0.000 1.159 265 I CA -0.541 60.832 61.300 0.121 0.000 1.423 265 I CB -0.289 37.756 38.000 0.075 0.000 1.380 265 I HN 0.880 9.045 8.210 0.117 0.115 0.580 266 L N 7.158 128.404 121.223 0.039 0.000 2.491 266 L HA 0.424 nan 4.340 nan 0.000 0.267 266 L C -2.524 174.304 176.870 -0.070 0.000 0.971 266 L CA -0.908 53.889 54.840 -0.071 0.000 0.857 266 L CB 3.927 45.816 42.059 -0.282 0.000 1.226 266 L HN 1.182 9.344 8.230 0.052 0.099 0.408 267 K N 7.028 127.377 120.400 -0.084 0.000 2.270 267 K HA 0.080 nan 4.320 nan 0.000 0.276 267 K C -0.217 176.363 176.600 -0.033 0.000 1.023 267 K CA 0.211 56.436 56.287 -0.102 0.000 0.955 267 K CB 1.176 33.526 32.500 -0.251 0.000 0.975 267 K HN -0.039 8.401 8.250 -0.093 -0.246 0.471 268 A N 5.135 128.019 122.820 0.107 0.000 2.172 268 A HA -0.225 nan 4.320 nan 0.000 0.216 268 A C -1.673 176.200 177.584 0.480 0.000 1.154 268 A CA 2.254 54.493 52.037 0.337 0.000 0.701 268 A CB 0.410 19.705 19.000 0.492 0.000 0.789 268 A HN 0.547 8.765 8.150 0.114 0.000 0.465 269 Y N -8.096 112.354 120.300 0.250 0.000 2.655 269 Y HA 0.727 nan 4.550 nan 0.000 0.336 269 Y C -2.409 173.623 175.900 0.220 0.000 1.154 269 Y CA -3.555 54.702 58.100 0.262 0.000 1.055 269 Y CB 2.853 41.428 38.460 0.191 0.000 1.295 269 Y HN -0.920 7.247 8.280 -0.080 0.065 0.465 270 S N 0.069 115.981 115.700 0.352 0.000 2.578 270 S HA 0.425 nan 4.470 nan 0.000 0.301 270 S C -1.349 173.423 174.600 0.287 0.000 1.091 270 S CA -1.083 57.269 58.200 0.253 0.000 1.032 270 S CB 2.671 66.133 63.200 0.438 0.000 1.064 270 S HN 0.441 9.063 8.310 0.521 0.000 0.508 271 T N -2.742 111.860 114.554 0.080 0.000 2.916 271 T HA 0.349 nan 4.350 nan 0.000 0.305 271 T C -2.256 172.308 174.700 -0.227 0.000 1.119 271 T CA -1.556 60.549 62.100 0.008 0.000 1.008 271 T CB 2.856 71.753 68.868 0.048 0.000 1.129 271 T HN 0.186 8.457 8.240 0.053 0.000 0.480 272 R N 1.716 121.990 120.500 -0.377 0.000 2.771 272 R HA 0.568 nan 4.340 nan 0.000 0.274 272 R C -2.655 173.499 176.300 -0.245 0.000 0.987 272 R CA -0.843 54.961 56.100 -0.493 0.000 0.908 272 R CB 4.455 34.100 30.300 -1.091 0.000 1.213 272 R HN -0.035 8.123 8.270 -0.187 0.000 0.468 273 V N -0.319 119.470 119.914 -0.209 0.000 2.864 273 V HA 0.698 nan 4.120 nan 0.000 0.314 273 V C -0.345 175.665 176.094 -0.139 0.000 1.073 273 V CA -2.279 59.942 62.300 -0.132 0.000 0.956 273 V CB 1.954 33.722 31.823 -0.091 0.000 1.023 273 V HN 0.427 8.476 8.190 -0.236 0.000 0.435 274 G N 4.918 113.659 108.800 -0.098 0.000 2.880 274 G HA2 -0.315 nan 3.960 nan 0.000 0.617 274 G HA3 -0.315 nan 3.960 nan 0.000 0.617 274 G C -1.089 173.738 174.900 -0.121 0.000 1.493 274 G CA -0.241 44.812 45.100 -0.078 0.000 0.916 274 G HN 0.429 8.670 8.290 -0.081 0.000 0.553 275 A N 0.672 123.436 122.820 -0.093 0.000 2.364 275 A HA 0.123 nan 4.320 nan 0.000 0.258 275 A C -0.540 176.787 177.584 -0.428 0.000 1.131 275 A CA 0.583 52.495 52.037 -0.207 0.000 0.800 275 A CB 0.744 19.671 19.000 -0.122 0.000 1.086 275 A HN 0.291 8.423 8.150 -0.030 0.000 0.508 276 G N -4.233 104.061 108.800 -0.843 0.000 2.402 276 G HA2 -0.115 nan 3.960 nan 0.000 0.666 276 G HA3 -0.115 nan 3.960 nan 0.000 0.666 276 G C -3.422 171.066 174.900 -0.687 0.000 1.402 276 G CA -0.621 43.829 45.100 -1.083 0.000 0.920 276 G HN -0.416 7.427 8.290 -0.744 0.000 0.651 277 P HA 0.163 nan 4.420 nan 0.000 0.266 277 P C -1.740 175.351 177.300 -0.349 0.000 1.195 277 P CA 0.297 63.137 63.100 -0.433 0.000 0.768 277 P CB 0.417 31.656 31.700 -0.767 0.000 0.838 278 F N 4.241 124.021 119.950 -0.284 0.000 3.020 278 F HA 0.326 nan 4.527 nan 0.000 0.389 278 F C -2.061 173.753 175.800 0.022 0.000 1.265 278 F CA -3.245 54.618 58.000 -0.228 0.000 1.195 278 F CB -0.153 38.636 39.000 -0.352 0.000 2.250 278 F HN 0.162 8.501 8.300 0.065 0.000 0.627 279 P HA -0.154 nan 4.420 nan 0.000 0.218 279 P C -0.826 176.571 177.300 0.163 0.000 1.146 279 P CA 1.868 65.089 63.100 0.202 0.000 0.820 279 P CB 0.182 31.961 31.700 0.132 0.000 0.778 280 T N -9.312 105.367 114.554 0.209 0.000 3.215 280 T HA 0.177 nan 4.350 nan 0.000 0.271 280 T C -0.729 173.861 174.700 -0.183 0.000 1.012 280 T CA -2.394 59.848 62.100 0.236 0.000 0.899 280 T CB -1.252 67.931 68.868 0.525 0.000 1.089 280 T HN -0.233 8.214 8.240 0.387 0.025 0.552 281 E N 1.732 121.439 120.200 -0.822 0.000 2.415 281 E HA -0.059 nan 4.350 nan 0.000 0.262 281 E C -0.762 175.380 176.600 -0.763 0.000 1.038 281 E CA 0.500 56.120 56.400 -1.299 0.000 0.921 281 E CB 0.758 29.550 29.700 -1.514 0.000 0.950 281 E HN -0.646 7.225 8.360 -0.720 0.056 0.438 282 L N 3.518 124.302 121.223 -0.731 0.000 2.325 282 L HA 0.172 nan 4.340 nan 0.000 0.278 282 L C -0.222 176.230 176.870 -0.696 0.000 1.023 282 L CA -0.876 53.654 54.840 -0.517 0.000 0.811 282 L CB 1.101 42.923 42.059 -0.395 0.000 1.249 282 L HN 0.728 8.429 8.230 -0.697 0.111 0.431 283 F N 2.131 122.008 119.950 -0.121 0.000 2.437 283 F HA -0.060 nan 4.527 nan 0.000 0.288 283 F C 0.438 176.197 175.800 -0.069 0.000 1.085 283 F CA 1.658 59.605 58.000 -0.088 0.000 1.430 283 F CB 0.599 39.557 39.000 -0.070 0.000 1.120 283 F HN 0.397 8.716 8.300 0.032 0.000 0.556 284 D N -0.597 119.832 120.400 0.048 0.000 3.305 284 D HA 0.192 nan 4.640 nan 0.000 0.221 284 D C 1.279 177.560 176.300 -0.030 0.000 1.187 284 D CA 0.006 54.015 54.000 0.015 0.000 1.276 284 D CB 0.730 41.549 40.800 0.032 0.000 0.924 284 D HN -0.373 8.024 8.370 0.045 0.000 0.189 285 E N -0.408 119.776 120.200 -0.028 0.000 2.028 285 E HA -0.203 nan 4.350 nan 0.000 0.191 285 E C 2.442 179.016 176.600 -0.043 0.000 0.988 285 E CA 3.299 59.682 56.400 -0.029 0.000 0.799 285 E CB -0.074 29.615 29.700 -0.018 0.000 0.755 285 E HN 0.147 8.496 8.360 -0.018 0.000 0.447 286 T N 2.789 117.284 114.554 -0.098 0.000 2.737 286 T HA -0.227 nan 4.350 nan 0.000 0.269 286 T C 1.719 176.312 174.700 -0.179 0.000 1.040 286 T CA 4.034 66.030 62.100 -0.172 0.000 1.142 286 T CB -0.678 68.025 68.868 -0.274 0.000 0.861 286 T HN 0.289 8.473 8.240 -0.094 0.000 0.456 287 G N 1.356 110.037 108.800 -0.197 0.000 2.446 287 G HA2 -0.273 nan 3.960 nan 0.000 0.217 287 G HA3 -0.273 nan 3.960 nan 0.000 0.217 287 G C 1.602 176.430 174.900 -0.120 0.000 1.168 287 G CA 2.080 47.057 45.100 -0.206 0.000 0.771 287 G HN 0.204 8.381 8.290 -0.178 0.007 0.551 288 E N 1.806 121.963 120.200 -0.072 0.000 2.058 288 E HA -0.312 nan 4.350 nan 0.000 0.194 288 E C 2.038 178.606 176.600 -0.054 0.000 0.997 288 E CA 2.114 58.484 56.400 -0.051 0.000 0.801 288 E CB -0.550 29.131 29.700 -0.033 0.000 0.746 288 E HN -0.656 7.590 8.360 -0.071 0.071 0.450 289 F N 1.795 121.646 119.950 -0.166 0.000 2.027 289 F HA -0.418 nan 4.527 nan 0.000 0.297 289 F C 1.719 177.378 175.800 -0.234 0.000 1.129 289 F CA 3.786 61.676 58.000 -0.183 0.000 1.195 289 F CB 0.085 38.966 39.000 -0.197 0.000 0.960 289 F HN 0.182 8.546 8.300 0.107 0.000 0.485 290 L N -4.354 116.866 121.223 -0.005 0.000 2.357 290 L HA -0.487 nan 4.340 nan 0.000 0.220 290 L C 0.548 177.228 176.870 -0.316 0.000 1.123 290 L CA 2.456 57.108 54.840 -0.313 0.000 0.782 290 L CB -0.565 41.218 42.059 -0.460 0.000 0.910 290 L HN 0.254 8.518 8.230 0.056 0.000 0.442 291 C N -2.522 116.678 119.300 -0.168 0.000 2.568 291 C HA -0.102 nan 4.460 nan 0.000 0.284 291 C C 2.071 177.000 174.990 -0.103 0.000 1.338 291 C CA 1.196 60.175 59.018 -0.065 0.000 1.724 291 C CB 0.082 27.807 27.740 -0.024 0.000 2.131 291 C HN -0.560 7.412 8.230 -0.148 0.170 0.513 292 K N 0.494 120.786 120.400 -0.181 0.000 2.063 292 K HA -0.344 nan 4.320 nan 0.000 0.208 292 K C 2.275 178.714 176.600 -0.267 0.000 1.048 292 K CA 3.076 59.237 56.287 -0.211 0.000 0.928 292 K CB -0.189 32.162 32.500 -0.248 0.000 0.713 292 K HN 0.118 8.256 8.250 -0.188 0.000 0.442 293 Q N -4.248 115.297 119.800 -0.424 0.000 2.378 293 Q HA 0.006 nan 4.340 nan 0.000 0.205 293 Q C 0.954 176.845 176.000 -0.180 0.000 0.954 293 Q CA 1.401 56.950 55.803 -0.423 0.000 0.901 293 Q CB 0.628 28.913 28.738 -0.756 0.000 0.981 293 Q HN 0.128 8.070 8.270 -0.530 0.011 0.483 294 G N -3.545 105.198 108.800 -0.095 0.000 3.228 294 G HA2 0.068 nan 3.960 nan 0.000 0.245 294 G HA3 0.068 nan 3.960 nan 0.000 0.245 294 G C -0.835 174.139 174.900 0.123 0.000 1.051 294 G CA -0.936 44.220 45.100 0.093 0.000 0.809 294 G HN -0.531 7.511 8.290 -0.136 0.166 0.531 295 N N -1.186 117.552 118.700 0.063 0.000 2.816 295 N HA -0.420 nan 4.740 nan 0.000 0.247 295 N C -0.965 174.619 175.510 0.124 0.000 1.100 295 N CA 0.709 53.810 53.050 0.086 0.000 0.687 295 N CB -0.607 37.933 38.487 0.089 0.000 1.003 295 N HN -0.317 8.067 8.380 0.005 0.000 0.554 296 E N -0.720 119.559 120.200 0.132 0.000 2.028 296 E HA 0.163 nan 4.350 nan 0.000 0.275 296 E C -2.069 174.654 176.600 0.205 0.000 1.171 296 E CA -1.131 55.359 56.400 0.150 0.000 1.186 296 E CB -1.365 28.431 29.700 0.160 0.000 1.256 296 E HN -0.380 8.038 8.360 0.097 0.000 0.474 297 F N 0.707 120.666 119.950 0.014 0.000 2.665 297 F HA 0.249 nan 4.527 nan 0.000 0.308 297 F C -0.601 175.201 175.800 0.004 0.000 1.112 297 F CA 0.051 58.053 58.000 0.003 0.000 0.972 297 F CB 2.800 41.796 39.000 -0.007 0.000 1.295 297 F HN -0.496 7.867 8.300 0.177 0.044 0.440 298 G N 4.778 112.719 108.800 -1.433 0.000 2.660 298 G HA2 -0.429 nan 3.960 nan 0.000 0.321 298 G HA3 -0.429 nan 3.960 nan 0.000 0.321 298 G C -1.226 173.445 174.900 -0.382 0.000 1.246 298 G CA 0.899 45.389 45.100 -1.016 0.000 1.000 298 G HN 0.244 7.564 8.290 -1.617 0.000 0.550 299 A N -3.226 119.463 122.820 -0.218 0.000 3.383 299 A HA -0.153 nan 4.320 nan 0.000 0.264 299 A C -1.828 175.709 177.584 -0.079 0.000 1.154 299 A CA 0.617 52.598 52.037 -0.094 0.000 1.179 299 A CB -1.393 17.568 19.000 -0.065 0.000 1.133 299 A HN 0.194 8.222 8.150 -0.204 0.000 0.933 300 T N -3.614 110.870 114.554 -0.117 0.000 3.874 300 T HA 0.017 nan 4.350 nan 0.000 0.152 300 T C -0.611 174.022 174.700 -0.111 0.000 0.489 300 T CA -0.121 61.927 62.100 -0.087 0.000 0.891 300 T CB -0.391 68.437 68.868 -0.066 0.000 1.383 300 T HN -0.495 7.556 8.240 -0.179 0.081 0.523 301 T N -4.236 110.246 114.554 -0.120 0.000 5.060 301 T HA -0.161 nan 4.350 nan 0.000 0.309 301 T C 0.577 175.181 174.700 -0.159 0.000 1.248 301 T CA 0.354 62.386 62.100 -0.112 0.000 2.322 301 T CB -0.941 67.885 68.868 -0.069 0.000 1.982 301 T HN 0.129 8.304 8.240 -0.109 0.000 0.955 302 G N 0.954 109.608 108.800 -0.243 0.000 2.789 302 G HA2 -0.124 nan 3.960 nan 0.000 0.281 302 G HA3 -0.124 nan 3.960 nan 0.000 0.281 302 G C 0.129 174.829 174.900 -0.333 0.000 0.708 302 G CA -0.802 44.141 45.100 -0.262 0.000 2.067 302 G HN -0.011 8.145 8.290 -0.265 -0.025 0.554 303 R N 2.568 122.968 120.500 -0.167 0.000 2.265 303 R HA -0.421 nan 4.340 nan 0.000 0.256 303 R C 0.074 176.385 176.300 0.018 0.000 1.120 303 R CA 1.990 58.063 56.100 -0.046 0.000 0.956 303 R CB -0.178 30.122 30.300 -0.000 0.000 0.925 303 R HN 0.470 8.612 8.270 -0.126 0.052 0.448 304 R N -3.311 117.172 120.500 -0.029 0.000 2.728 304 R HA 0.148 nan 4.340 nan 0.000 0.259 304 R C -2.252 174.053 176.300 0.007 0.000 1.057 304 R CA -0.957 55.182 56.100 0.065 0.000 0.908 304 R CB 2.288 32.669 30.300 0.135 0.000 1.259 304 R HN -0.652 7.577 8.270 -0.067 0.001 0.472 305 R N 4.072 124.593 120.500 0.035 0.000 2.295 305 R HA 0.224 nan 4.340 nan 0.000 0.324 305 R C -0.162 176.173 176.300 0.059 0.000 0.968 305 R CA -0.851 55.262 56.100 0.022 0.000 0.837 305 R CB 1.425 31.739 30.300 0.023 0.000 1.133 305 R HN 0.357 8.680 8.270 0.089 0.000 0.450 306 R N 5.192 125.730 120.500 0.065 0.000 2.738 306 R HA 0.143 nan 4.340 nan 0.000 0.268 306 R C -1.137 175.329 176.300 0.277 0.000 1.062 306 R CA 0.542 56.724 56.100 0.136 0.000 1.158 306 R CB 0.970 31.398 30.300 0.213 0.000 1.046 306 R HN 0.040 8.325 8.270 0.025 0.000 0.493 307 T N -4.912 109.768 114.554 0.211 0.000 2.883 307 T HA 0.717 nan 4.350 nan 0.000 0.301 307 T C -1.703 173.007 174.700 0.017 0.000 1.158 307 T CA -1.812 60.448 62.100 0.267 0.000 1.007 307 T CB 3.868 72.817 68.868 0.135 0.000 1.186 307 T HN 0.296 8.537 8.240 0.001 0.000 0.499 308 G N -0.191 108.712 108.800 0.171 0.000 2.495 308 G HA2 0.619 nan 3.960 nan 0.000 0.294 308 G HA3 0.619 nan 3.960 nan 0.000 0.294 308 G C -2.580 172.399 174.900 0.132 0.000 1.397 308 G CA 0.483 45.525 45.100 -0.097 0.000 0.790 308 G HN -0.180 8.372 8.290 0.436 0.000 0.486 309 W N -1.984 119.481 121.300 0.275 0.000 2.112 309 W HA 0.093 nan 4.660 nan 0.000 0.349 309 W C 0.201 176.962 176.519 0.403 0.000 1.289 309 W CA -0.293 57.254 57.345 0.338 0.000 1.256 309 W CB 0.911 30.585 29.460 0.356 0.000 1.148 309 W HN -0.103 8.162 8.180 0.141 0.000 0.590 310 L N 1.904 123.537 121.223 0.684 0.000 2.597 310 L HA -0.198 nan 4.340 nan 0.000 0.271 310 L C -1.370 175.735 176.870 0.391 0.000 1.157 310 L CA 0.941 56.050 54.840 0.448 0.000 0.928 310 L CB 0.488 42.764 42.059 0.361 0.000 1.216 310 L HN 0.613 9.333 8.230 0.817 0.000 0.481 311 D N 6.671 127.284 120.400 0.355 0.000 2.393 311 D HA 0.099 nan 4.640 nan 0.000 0.232 311 D C 0.383 176.791 176.300 0.181 0.000 1.192 311 D CA -0.862 53.329 54.000 0.319 0.000 0.882 311 D CB 1.092 42.155 40.800 0.438 0.000 1.038 311 D HN 0.094 8.679 8.370 0.359 0.000 0.499 312 T N 7.442 122.066 114.554 0.116 0.000 2.788 312 T HA -0.255 nan 4.350 nan 0.000 0.268 312 T C 1.769 176.475 174.700 0.010 0.000 1.044 312 T CA 4.111 66.236 62.100 0.041 0.000 1.139 312 T CB -0.136 68.740 68.868 0.014 0.000 0.867 312 T HN 0.016 8.333 8.240 0.129 0.000 0.454 313 V N 0.321 120.214 119.914 -0.036 0.000 2.380 313 V HA -0.398 nan 4.120 nan 0.000 0.251 313 V C 1.632 177.708 176.094 -0.030 0.000 1.063 313 V CA 4.300 66.505 62.300 -0.159 0.000 1.055 313 V CB -0.747 30.729 31.823 -0.578 0.000 0.657 313 V HN 0.208 8.559 8.190 -0.011 -0.168 0.455 314 A N -1.876 121.009 122.820 0.109 0.000 1.935 314 A HA -0.103 nan 4.320 nan 0.000 0.214 314 A C 1.764 179.368 177.584 0.033 0.000 1.178 314 A CA 2.891 55.012 52.037 0.140 0.000 0.640 314 A CB -0.423 18.713 19.000 0.226 0.000 0.825 314 A HN -0.775 7.653 8.150 0.165 -0.179 0.447 315 V N 0.131 120.057 119.914 0.019 0.000 2.324 315 V HA -0.573 nan 4.120 nan 0.000 0.250 315 V C 2.274 178.407 176.094 0.064 0.000 1.060 315 V CA 4.421 66.736 62.300 0.024 0.000 1.042 315 V CB -1.366 30.467 31.823 0.017 0.000 0.650 315 V HN -0.434 7.780 8.190 0.040 0.000 0.450 316 R N -1.604 118.921 120.500 0.042 0.000 2.091 316 R HA -0.424 nan 4.340 nan 0.000 0.238 316 R C 2.011 178.312 176.300 0.002 0.000 1.136 316 R CA 3.772 59.885 56.100 0.022 0.000 0.959 316 R CB -0.436 29.858 30.300 -0.011 0.000 0.856 316 R HN 0.263 8.555 8.270 0.029 -0.005 0.437 317 R N -0.520 119.985 120.500 0.008 0.000 2.094 317 R HA -0.333 nan 4.340 nan 0.000 0.239 317 R C 1.932 178.225 176.300 -0.011 0.000 1.137 317 R CA 2.599 58.705 56.100 0.011 0.000 0.943 317 R CB -0.953 29.385 30.300 0.063 0.000 0.850 317 R HN -0.717 7.483 8.270 0.017 0.080 0.433 318 A N -1.787 121.028 122.820 -0.008 0.000 1.908 318 A HA -0.272 nan 4.320 nan 0.000 0.218 318 A C 2.413 179.975 177.584 -0.036 0.000 1.181 318 A CA 3.084 55.108 52.037 -0.021 0.000 0.627 318 A CB -0.862 18.131 19.000 -0.013 0.000 0.818 318 A HN -0.302 7.848 8.150 -0.001 0.000 0.445 319 V N -0.557 119.342 119.914 -0.024 0.000 2.324 319 V HA -0.524 nan 4.120 nan 0.000 0.250 319 V C 2.290 178.323 176.094 -0.102 0.000 1.060 319 V CA 4.321 66.572 62.300 -0.082 0.000 1.042 319 V CB -1.053 30.734 31.823 -0.060 0.000 0.650 319 V HN 0.294 8.430 8.190 0.018 0.064 0.450 320 Q N -1.004 118.748 119.800 -0.079 0.000 2.137 320 Q HA -0.206 nan 4.340 nan 0.000 0.198 320 Q C 2.066 177.998 176.000 -0.113 0.000 0.960 320 Q CA 2.697 58.445 55.803 -0.092 0.000 0.847 320 Q CB -0.228 28.463 28.738 -0.078 0.000 0.915 320 Q HN -0.359 7.789 8.270 -0.057 0.088 0.448 321 L N -2.046 119.110 121.223 -0.112 0.000 2.141 321 L HA -0.276 nan 4.340 nan 0.000 0.209 321 L C 1.401 178.200 176.870 -0.118 0.000 1.094 321 L CA 2.204 56.958 54.840 -0.144 0.000 0.763 321 L CB -0.009 41.977 42.059 -0.121 0.000 0.908 321 L HN 0.001 8.179 8.230 -0.088 0.000 0.437 322 N N -4.433 114.204 118.700 -0.105 0.000 2.282 322 N HA 0.081 nan 4.740 nan 0.000 0.185 322 N C -0.406 175.019 175.510 -0.142 0.000 1.099 322 N CA 0.059 53.043 53.050 -0.110 0.000 0.878 322 N CB 1.318 39.745 38.487 -0.098 0.000 0.993 322 N HN -0.359 7.946 8.380 -0.101 0.014 0.481 323 S N -2.179 113.433 115.700 -0.147 0.000 3.608 323 S HA -0.416 nan 4.470 nan 0.000 0.382 323 S C -0.035 174.435 174.600 -0.216 0.000 0.945 323 S CA 0.663 58.765 58.200 -0.164 0.000 1.256 323 S CB -2.295 60.818 63.200 -0.145 0.000 0.913 323 S HN -0.397 7.832 8.310 -0.135 0.000 0.518 324 L N -0.979 120.094 121.223 -0.249 0.000 2.490 324 L HA -0.161 nan 4.340 nan 0.000 0.274 324 L C 1.096 177.717 176.870 -0.416 0.000 1.201 324 L CA 1.129 55.761 54.840 -0.347 0.000 0.869 324 L CB 0.509 42.315 42.059 -0.423 0.000 1.123 324 L HN -0.542 7.557 8.230 -0.219 0.000 0.484 325 S N 2.078 117.444 115.700 -0.557 0.000 2.421 325 S HA 0.163 nan 4.470 nan 0.000 0.224 325 S C 0.051 174.324 174.600 -0.545 0.000 1.035 325 S CA 1.446 59.265 58.200 -0.635 0.000 0.953 325 S CB 1.401 63.932 63.200 -1.115 0.000 0.810 325 S HN 0.462 8.406 8.310 -0.612 0.000 0.497 326 G N -3.092 105.369 108.800 -0.564 0.000 2.559 326 G HA2 0.323 nan 3.960 nan 0.000 0.291 326 G HA3 0.323 nan 3.960 nan 0.000 0.291 326 G C -3.187 171.530 174.900 -0.305 0.000 1.424 326 G CA 0.171 45.072 45.100 -0.332 0.000 0.786 326 G HN -0.871 7.039 8.290 -0.633 0.000 0.485 327 F N -1.929 118.021 119.950 -0.000 0.000 2.518 327 F HA 0.935 nan 4.527 nan 0.000 0.338 327 F C -1.507 174.310 175.800 0.028 0.000 1.065 327 F CA -2.500 55.503 58.000 0.004 0.000 1.012 327 F CB 4.374 43.367 39.000 -0.011 0.000 1.297 327 F HN 0.653 8.873 8.300 0.053 0.111 0.489 328 C N 1.689 121.166 119.300 0.295 0.000 2.949 328 C HA 0.556 nan 4.460 nan 0.000 0.306 328 C C -1.947 173.102 174.990 0.099 0.000 1.045 328 C CA -1.395 57.714 59.018 0.153 0.000 1.414 328 C CB 0.497 28.308 27.740 0.118 0.000 1.854 328 C HN 0.235 8.690 8.230 0.374 0.000 0.487 329 L N 9.779 131.042 121.223 0.067 0.000 2.360 329 L HA 0.593 nan 4.340 nan 0.000 0.276 329 L C -1.897 175.004 176.870 0.053 0.000 1.121 329 L CA -0.234 54.621 54.840 0.024 0.000 0.845 329 L CB 1.915 43.983 42.059 0.014 0.000 1.143 329 L HN 0.123 8.403 8.230 0.083 0.000 0.452 330 T N 3.403 117.988 114.554 0.051 0.000 2.912 330 T HA 0.446 nan 4.350 nan 0.000 0.288 330 T C -0.582 174.193 174.700 0.126 0.000 1.030 330 T CA -2.393 59.746 62.100 0.066 0.000 1.020 330 T CB 1.612 70.500 68.868 0.033 0.000 1.056 330 T HN 1.233 9.359 8.240 0.027 0.130 0.480 331 K N -0.145 120.344 120.400 0.148 0.000 3.148 331 K HA -0.395 nan 4.320 nan 0.000 0.267 331 K C 0.151 176.952 176.600 0.335 0.000 0.996 331 K CA 1.425 57.860 56.287 0.248 0.000 0.737 331 K CB -1.912 30.775 32.500 0.311 0.000 1.308 331 K HN 0.599 8.909 8.250 0.100 0.000 0.470 332 L N -2.414 118.992 121.223 0.305 0.000 2.376 332 L HA -0.223 nan 4.340 nan 0.000 0.219 332 L C 0.844 177.985 176.870 0.452 0.000 1.133 332 L CA 2.106 57.191 54.840 0.409 0.000 0.816 332 L CB 0.033 42.301 42.059 0.348 0.000 0.933 332 L HN -0.467 7.899 8.230 0.228 0.000 0.449 333 D N 0.036 120.668 120.400 0.385 0.000 2.117 333 D HA -0.329 nan 4.640 nan 0.000 0.197 333 D C 2.074 178.587 176.300 0.355 0.000 0.987 333 D CA 2.904 57.165 54.000 0.435 0.000 0.829 333 D CB -1.427 39.759 40.800 0.643 0.000 0.961 333 D HN 0.411 8.942 8.370 0.321 0.032 0.460 334 V N 0.044 120.145 119.914 0.310 0.000 2.546 334 V HA -0.288 nan 4.120 nan 0.000 0.254 334 V C 1.557 177.763 176.094 0.186 0.000 1.076 334 V CA 2.533 64.941 62.300 0.181 0.000 1.087 334 V CB -0.894 30.999 31.823 0.116 0.000 0.674 334 V HN -0.500 7.904 8.190 0.356 0.000 0.470 335 L N -4.008 117.321 121.223 0.178 0.000 2.478 335 L HA -0.075 nan 4.340 nan 0.000 0.223 335 L C 0.515 177.189 176.870 -0.326 0.000 1.140 335 L CA 0.306 55.097 54.840 -0.082 0.000 0.842 335 L CB -0.494 41.456 42.059 -0.183 0.000 0.953 335 L HN -0.642 7.608 8.230 0.291 0.155 0.452 336 D N -0.978 119.415 120.400 -0.011 0.000 2.362 336 D HA -0.119 nan 4.640 nan 0.000 0.238 336 D C 1.070 177.348 176.300 -0.038 0.000 1.212 336 D CA 1.728 55.724 54.000 -0.007 0.000 0.902 336 D CB 0.102 41.048 40.800 0.243 0.000 1.180 336 D HN -0.310 8.009 8.370 0.193 0.167 0.445 337 G N -1.178 107.602 108.800 -0.033 0.000 2.371 337 G HA2 -0.332 nan 3.960 nan 0.000 0.299 337 G HA3 -0.332 nan 3.960 nan 0.000 0.299 337 G C -0.851 173.947 174.900 -0.170 0.000 1.014 337 G CA 0.921 46.004 45.100 -0.029 0.000 1.097 337 G HN 0.138 8.349 8.290 0.011 0.085 0.512 338 L N -3.402 117.634 121.223 -0.313 0.000 2.408 338 L HA 0.187 nan 4.340 nan 0.000 0.268 338 L C -0.037 176.641 176.870 -0.320 0.000 0.986 338 L CA -1.518 53.057 54.840 -0.440 0.000 0.820 338 L CB 1.886 43.609 42.059 -0.560 0.000 1.303 338 L HN -1.127 6.913 8.230 -0.316 0.000 0.411 339 K N 2.679 122.921 120.400 -0.263 0.000 2.063 339 K HA -0.352 nan 4.320 nan 0.000 0.208 339 K C -1.039 175.453 176.600 -0.181 0.000 1.048 339 K CA 2.619 58.800 56.287 -0.177 0.000 0.928 339 K CB 0.417 32.835 32.500 -0.137 0.000 0.713 339 K HN 0.546 8.617 8.250 -0.297 0.000 0.442 340 E N -8.275 111.792 120.200 -0.221 0.000 2.442 340 E HA 0.500 nan 4.350 nan 0.000 0.278 340 E C -1.664 174.732 176.600 -0.340 0.000 1.082 340 E CA -1.365 54.888 56.400 -0.245 0.000 0.861 340 E CB 3.816 33.405 29.700 -0.185 0.000 1.462 340 E HN -0.823 7.404 8.360 -0.222 0.000 0.458 341 V N -6.479 113.161 119.914 -0.458 0.000 2.686 341 V HA 0.501 nan 4.120 nan 0.000 0.306 341 V C -1.753 173.848 176.094 -0.821 0.000 1.065 341 V CA -1.690 60.157 62.300 -0.756 0.000 0.894 341 V CB 2.855 34.268 31.823 -0.683 0.000 1.004 341 V HN 1.021 8.893 8.190 -0.343 0.112 0.424 342 K N 3.632 123.096 120.400 -1.559 0.000 2.156 342 K HA 0.742 nan 4.320 nan 0.000 0.254 342 K C -1.194 175.174 176.600 -0.388 0.000 0.950 342 K CA -1.075 54.631 56.287 -0.968 0.000 0.849 342 K CB 2.005 33.686 32.500 -1.366 0.000 1.100 342 K HN 0.110 6.494 8.250 -3.110 0.000 0.434 343 L N 0.208 121.437 121.223 0.010 0.000 2.376 343 L HA 0.444 nan 4.340 nan 0.000 0.275 343 L C -1.054 175.934 176.870 0.197 0.000 0.987 343 L CA -1.723 53.225 54.840 0.180 0.000 0.828 343 L CB 3.494 45.639 42.059 0.144 0.000 1.249 343 L HN 0.418 8.645 8.230 -0.005 0.000 0.409 344 C N 6.838 126.274 119.300 0.227 0.000 2.629 344 C HA 0.264 nan 4.460 nan 0.000 0.410 344 C C 0.361 175.371 174.990 0.033 0.000 1.339 344 C CA 0.073 59.126 59.018 0.058 0.000 1.810 344 C CB -0.589 27.193 27.740 0.071 0.000 2.549 344 C HN 0.430 8.841 8.230 0.300 0.000 0.589 345 V N 2.169 122.076 119.914 -0.012 0.000 3.070 345 V HA 0.509 nan 4.120 nan 0.000 0.345 345 V C -1.864 174.184 176.094 -0.076 0.000 1.403 345 V CA -1.996 60.286 62.300 -0.030 0.000 1.155 345 V CB -0.572 31.245 31.823 -0.010 0.000 1.140 345 V HN 0.298 8.468 8.190 -0.033 0.000 0.505 346 A N -0.954 121.802 122.820 -0.107 0.000 2.529 346 A HA 0.293 nan 4.320 nan 0.000 0.300 346 A C -2.951 174.619 177.584 -0.023 0.000 0.942 346 A CA 0.818 52.761 52.037 -0.156 0.000 0.614 346 A CB 0.962 19.915 19.000 -0.078 0.000 1.367 346 A HN -0.763 7.343 8.150 -0.073 0.000 0.443 347 Y N -2.182 118.081 120.300 -0.060 0.000 2.567 347 Y HA 0.815 nan 4.550 nan 0.000 0.333 347 Y C -1.244 174.623 175.900 -0.054 0.000 1.106 347 Y CA -3.204 54.856 58.100 -0.066 0.000 1.157 347 Y CB 3.683 42.090 38.460 -0.088 0.000 1.277 347 Y HN 0.245 8.440 8.280 -0.142 0.000 0.490 348 R N 0.488 121.073 120.500 0.143 0.000 2.437 348 R HA 0.602 nan 4.340 nan 0.000 0.310 348 R C -1.021 175.303 176.300 0.039 0.000 0.955 348 R CA -1.566 54.572 56.100 0.064 0.000 0.851 348 R CB 1.845 32.170 30.300 0.042 0.000 1.161 348 R HN 0.292 8.641 8.270 0.131 0.000 0.446 349 M N 6.140 125.755 119.600 0.026 0.000 2.245 349 M HA 0.418 nan 4.480 nan 0.000 0.292 349 M C 0.028 176.328 176.300 0.002 0.000 1.176 349 M CA -2.818 52.484 55.300 0.003 0.000 1.035 349 M CB -1.595 31.005 32.600 -0.000 0.000 1.440 349 M HN 0.996 9.191 8.290 0.028 0.111 0.494 350 P HA -0.083 nan 4.420 nan 0.000 0.229 350 P C -1.002 176.303 177.300 0.007 0.000 1.160 350 P CA 1.980 65.083 63.100 0.005 0.000 0.777 350 P CB -0.552 31.154 31.700 0.010 0.000 0.814 351 D N -4.218 116.186 120.400 0.006 0.000 2.340 351 D HA -0.126 nan 4.640 nan 0.000 0.220 351 D C 0.757 177.061 176.300 0.007 0.000 1.039 351 D CA -0.260 53.744 54.000 0.007 0.000 0.866 351 D CB -0.593 40.211 40.800 0.006 0.000 0.913 351 D HN -0.445 7.902 8.370 0.004 0.026 0.523 352 G N 0.783 109.588 108.800 0.008 0.000 2.176 352 G HA2 -0.372 nan 3.960 nan 0.000 0.232 352 G HA3 -0.372 nan 3.960 nan 0.000 0.232 352 G C -1.167 173.739 174.900 0.009 0.000 0.986 352 G CA -0.142 44.964 45.100 0.009 0.000 0.643 352 G HN -0.251 7.868 8.290 0.008 0.176 0.522 353 R N -0.823 119.681 120.500 0.008 0.000 2.528 353 R HA 0.129 nan 4.340 nan 0.000 0.271 353 R C -1.222 175.085 176.300 0.011 0.000 1.056 353 R CA -0.757 55.347 56.100 0.006 0.000 1.117 353 R CB 1.095 31.395 30.300 0.001 0.000 1.085 353 R HN -0.791 7.720 8.270 0.007 -0.237 0.530 354 E N 0.101 120.305 120.200 0.006 0.000 2.102 354 E HA 0.376 nan 4.350 nan 0.000 0.263 354 E C -1.279 175.315 176.600 -0.010 0.000 0.894 354 E CA -0.541 55.863 56.400 0.007 0.000 0.746 354 E CB 1.070 30.773 29.700 0.003 0.000 1.129 354 E HN 0.154 8.515 8.360 0.002 0.000 0.416 355 V N 5.219 125.124 119.914 -0.015 0.000 2.540 355 V HA 0.292 nan 4.120 nan 0.000 0.302 355 V C 0.385 176.401 176.094 -0.131 0.000 1.035 355 V CA -0.821 61.447 62.300 -0.053 0.000 0.873 355 V CB 3.277 35.078 31.823 -0.037 0.000 0.992 355 V HN 0.238 8.436 8.190 0.014 0.000 0.428 356 T N 3.100 117.575 114.554 -0.132 0.000 3.169 356 T HA 0.123 nan 4.350 nan 0.000 0.250 356 T C -0.893 173.687 174.700 -0.200 0.000 1.111 356 T CA 0.402 62.396 62.100 -0.178 0.000 1.010 356 T CB -0.362 68.439 68.868 -0.111 0.000 0.984 356 T HN 0.406 8.590 8.240 -0.094 0.000 0.537 357 T N -2.513 111.928 114.554 -0.188 0.000 2.861 357 T HA 0.207 nan 4.350 nan 0.000 0.287 357 T C 0.293 174.898 174.700 -0.159 0.000 1.003 357 T CA -1.622 60.391 62.100 -0.145 0.000 0.977 357 T CB 2.343 71.165 68.868 -0.077 0.000 0.996 357 T HN -0.708 7.368 8.240 -0.167 0.063 0.448 358 T N 6.226 120.718 114.554 -0.104 0.000 2.849 358 T HA -0.013 nan 4.350 nan 0.000 0.289 358 T C -0.287 174.365 174.700 -0.081 0.000 1.010 358 T CA 0.211 62.291 62.100 -0.034 0.000 1.161 358 T CB -0.199 68.772 68.868 0.173 0.000 0.989 358 T HN 0.303 8.499 8.240 -0.073 0.000 0.523 359 P HA -0.002 nan 4.420 nan 0.000 0.271 359 P C -1.550 175.719 177.300 -0.053 0.000 1.218 359 P CA -0.712 62.245 63.100 -0.239 0.000 0.780 359 P CB 0.828 32.240 31.700 -0.480 0.000 0.901 360 L N -0.592 120.649 121.223 0.030 0.000 2.514 360 L HA -0.179 nan 4.340 nan 0.000 0.280 360 L C 1.218 178.235 176.870 0.244 0.000 1.223 360 L CA 0.177 55.093 54.840 0.127 0.000 0.864 360 L CB 0.028 42.138 42.059 0.084 0.000 1.118 360 L HN 0.134 8.361 8.230 -0.005 0.000 0.494 361 A N 5.577 128.587 122.820 0.317 0.000 3.052 361 A HA -0.100 nan 4.320 nan 0.000 0.266 361 A C -1.167 176.584 177.584 0.278 0.000 1.855 361 A CA 1.202 53.482 52.037 0.405 0.000 1.473 361 A CB -2.211 17.012 19.000 0.372 0.000 1.038 361 A HN 0.674 8.981 8.150 0.262 0.000 0.619 362 A N -0.206 122.760 122.820 0.244 0.000 2.577 362 A HA 0.073 nan 4.320 nan 0.000 0.195 362 A C -1.253 176.417 177.584 0.144 0.000 1.407 362 A CA 0.341 52.480 52.037 0.170 0.000 1.056 362 A CB 1.770 20.835 19.000 0.108 0.000 1.165 362 A HN 0.729 8.940 8.150 0.271 0.102 0.472 363 D N -0.352 120.142 120.400 0.157 0.000 2.457 363 D HA 0.212 nan 4.640 nan 0.000 0.240 363 D C -2.037 174.350 176.300 0.144 0.000 1.041 363 D CA -0.899 53.158 54.000 0.095 0.000 0.861 363 D CB 3.907 44.714 40.800 0.012 0.000 1.394 363 D HN -0.399 8.094 8.370 0.206 0.000 0.473 364 D N 2.476 122.943 120.400 0.113 0.000 2.349 364 D HA -0.123 nan 4.640 nan 0.000 0.266 364 D C 0.493 176.886 176.300 0.155 0.000 1.293 364 D CA 0.210 54.303 54.000 0.156 0.000 0.926 364 D CB -0.000 40.862 40.800 0.104 0.000 1.090 364 D HN 0.134 8.549 8.370 0.076 0.000 0.502 365 W N 5.571 126.890 121.300 0.031 0.000 2.436 365 W HA -0.206 nan 4.660 nan 0.000 0.284 365 W C 1.453 177.949 176.519 -0.038 0.000 1.225 365 W CA 2.229 59.570 57.345 -0.007 0.000 1.271 365 W CB 0.350 29.824 29.460 0.023 0.000 1.114 365 W HN 0.081 8.597 8.180 0.559 0.000 0.559 366 K N -0.971 119.565 120.400 0.226 0.000 2.360 366 K HA -0.246 nan 4.320 nan 0.000 0.201 366 K C 1.137 177.777 176.600 0.067 0.000 1.046 366 K CA 1.884 58.238 56.287 0.113 0.000 0.940 366 K CB -0.390 32.157 32.500 0.078 0.000 0.748 366 K HN -0.032 8.577 8.250 0.246 -0.210 0.465 367 G N -1.768 107.068 108.800 0.060 0.000 2.492 367 G HA2 -0.028 nan 3.960 nan 0.000 0.214 367 G HA3 -0.028 nan 3.960 nan 0.000 0.214 367 G C -0.614 174.280 174.900 -0.010 0.000 1.147 367 G CA 0.090 45.203 45.100 0.021 0.000 0.809 367 G HN -0.604 7.650 8.290 0.085 0.087 0.533 368 V N -2.609 117.274 119.914 -0.051 0.000 2.540 368 V HA -0.006 nan 4.120 nan 0.000 0.297 368 V C -0.785 175.243 176.094 -0.110 0.000 1.024 368 V CA -0.710 61.510 62.300 -0.134 0.000 1.105 368 V CB -0.621 30.971 31.823 -0.385 0.000 0.938 368 V HN -0.817 7.247 8.190 -0.031 0.107 0.482 369 E N 6.690 126.859 120.200 -0.053 0.000 2.176 369 E HA 0.531 nan 4.350 nan 0.000 0.267 369 E C -2.362 174.235 176.600 -0.004 0.000 0.893 369 E CA -3.788 52.605 56.400 -0.010 0.000 0.761 369 E CB 1.383 31.101 29.700 0.030 0.000 1.133 369 E HN 0.408 8.751 8.360 -0.028 0.000 0.409 370 P HA 0.026 nan 4.420 nan 0.000 0.267 370 P C -0.982 176.171 177.300 -0.246 0.000 1.209 370 P CA -0.011 62.993 63.100 -0.159 0.000 0.763 370 P CB 0.216 31.634 31.700 -0.469 0.000 0.816 371 I N 5.676 126.172 120.570 -0.123 0.000 2.294 371 I HA -0.031 nan 4.170 nan 0.000 0.295 371 I C -0.835 175.228 176.117 -0.089 0.000 1.098 371 I CA -0.319 60.948 61.300 -0.055 0.000 1.277 371 I CB -0.574 37.425 38.000 -0.001 0.000 1.434 371 I HN 0.243 8.436 8.210 -0.029 0.000 0.498 372 Y N 7.391 127.728 120.300 0.061 0.000 2.304 372 Y HA 0.028 nan 4.550 nan 0.000 0.327 372 Y C -0.502 175.388 175.900 -0.016 0.000 1.209 372 Y CA -0.275 57.835 58.100 0.017 0.000 1.299 372 Y CB 0.633 39.083 38.460 -0.016 0.000 1.249 372 Y HN -0.068 8.316 8.280 0.173 0.000 0.519 373 E N 4.000 124.285 120.200 0.141 0.000 2.114 373 E HA 0.291 nan 4.350 nan 0.000 0.266 373 E C -0.965 175.637 176.600 0.003 0.000 0.896 373 E CA -1.387 55.049 56.400 0.060 0.000 0.750 373 E CB 2.393 32.122 29.700 0.048 0.000 1.121 373 E HN 0.435 8.890 8.360 0.159 0.000 0.413 374 T N 6.763 121.297 114.554 -0.034 0.000 2.910 374 T HA 0.456 nan 4.350 nan 0.000 0.293 374 T C -0.766 173.892 174.700 -0.070 0.000 1.015 374 T CA 0.730 62.762 62.100 -0.114 0.000 1.094 374 T CB 0.789 69.590 68.868 -0.112 0.000 0.968 374 T HN 0.463 8.698 8.240 -0.008 0.000 0.521 375 M N 2.764 122.304 119.600 -0.100 0.000 2.433 375 M HA 0.420 nan 4.480 nan 0.000 0.290 375 M C -2.837 173.435 176.300 -0.047 0.000 1.173 375 M CA -2.234 53.051 55.300 -0.025 0.000 0.905 375 M CB 4.170 36.808 32.600 0.064 0.000 1.692 375 M HN 0.554 8.730 8.290 -0.190 0.000 0.462 376 P HA -0.138 nan 4.420 nan 0.000 0.264 376 P C -1.405 175.919 177.300 0.040 0.000 1.179 376 P CA 0.592 63.701 63.100 0.016 0.000 0.763 376 P CB 0.227 31.961 31.700 0.056 0.000 0.806 377 G N 0.535 109.319 108.800 -0.028 0.000 2.532 377 G HA2 0.312 nan 3.960 nan 0.000 0.291 377 G HA3 0.312 nan 3.960 nan 0.000 0.291 377 G C -2.090 172.910 174.900 0.167 0.000 1.349 377 G CA -0.463 44.572 45.100 -0.108 0.000 1.038 377 G HN -0.122 8.139 8.290 -0.049 0.000 0.518 378 W N -4.501 116.774 121.300 -0.041 0.000 3.132 378 W HA 0.357 nan 4.660 nan 0.000 0.337 378 W C -0.831 175.689 176.519 0.002 0.000 1.082 378 W CA -1.201 56.137 57.345 -0.012 0.000 1.242 378 W CB 0.738 30.198 29.460 0.001 0.000 1.354 378 W HN -0.392 7.488 8.180 -0.500 0.000 0.461 379 S N 2.087 117.904 115.700 0.195 0.000 2.478 379 S HA -0.201 nan 4.470 nan 0.000 0.222 379 S C 0.085 174.787 174.600 0.170 0.000 1.008 379 S CA 1.425 59.697 58.200 0.120 0.000 0.928 379 S CB 0.169 63.411 63.200 0.069 0.000 0.781 379 S HN 0.279 8.705 8.310 0.193 0.000 0.518 380 E N 1.112 121.442 120.200 0.217 0.000 2.436 380 E HA -0.092 nan 4.350 nan 0.000 0.262 380 E C -1.113 175.620 176.600 0.221 0.000 1.063 380 E CA 0.665 57.172 56.400 0.177 0.000 0.944 380 E CB 0.561 30.342 29.700 0.134 0.000 0.950 380 E HN -0.516 7.992 8.360 0.247 0.000 0.444 381 S N 0.394 116.193 115.700 0.165 0.000 2.430 381 S HA 0.038 nan 4.470 nan 0.000 0.289 381 S C -0.328 174.389 174.600 0.196 0.000 1.143 381 S CA -0.160 58.153 58.200 0.189 0.000 1.067 381 S CB 0.060 63.348 63.200 0.147 0.000 0.964 381 S HN -0.076 8.311 8.310 0.127 0.000 0.485 382 T N 9.235 123.940 114.554 0.250 0.000 3.051 382 T HA 0.039 nan 4.350 nan 0.000 0.255 382 T C 0.117 174.943 174.700 0.210 0.000 1.085 382 T CA 0.891 63.107 62.100 0.193 0.000 1.109 382 T CB 0.328 69.316 68.868 0.201 0.000 0.921 382 T HN 0.543 9.475 8.240 0.314 -0.504 0.488 383 F N 2.283 122.296 119.950 0.104 0.000 2.580 383 F HA -0.615 nan 4.527 nan 0.000 0.398 383 F C 1.078 176.914 175.800 0.060 0.000 1.023 383 F CA 1.848 59.898 58.000 0.082 0.000 1.188 383 F CB 0.137 39.182 39.000 0.075 0.000 1.005 383 F HN -0.688 7.976 8.300 0.438 -0.101 0.546 384 G N 5.366 114.104 108.800 -0.103 0.000 2.299 384 G HA2 -0.458 nan 3.960 nan 0.000 0.237 384 G HA3 -0.458 nan 3.960 nan 0.000 0.237 384 G C -1.126 173.767 174.900 -0.011 0.000 1.027 384 G CA -0.068 45.009 45.100 -0.039 0.000 0.619 384 G HN 0.921 8.886 8.290 -0.335 0.124 0.513 385 V N 2.119 122.043 119.914 0.017 0.000 2.678 385 V HA -0.340 nan 4.120 nan 0.000 0.304 385 V C 0.143 176.234 176.094 -0.004 0.000 1.086 385 V CA 1.699 64.008 62.300 0.015 0.000 1.246 385 V CB -0.035 31.800 31.823 0.020 0.000 0.861 385 V HN -0.366 7.763 8.190 0.041 0.086 0.491 386 K N 4.651 125.050 120.400 -0.001 0.000 2.726 386 K HA 0.200 nan 4.320 nan 0.000 0.209 386 K C -1.606 174.992 176.600 -0.002 0.000 1.082 386 K CA -0.772 55.512 56.287 -0.005 0.000 1.081 386 K CB 0.142 32.640 32.500 -0.003 0.000 0.830 386 K HN 0.541 8.794 8.250 0.006 0.000 0.470 387 D N -3.112 117.286 120.400 -0.003 0.000 2.742 387 D HA 0.065 nan 4.640 nan 0.000 0.262 387 D C -0.697 175.598 176.300 -0.007 0.000 1.240 387 D CA -0.250 53.748 54.000 -0.003 0.000 0.752 387 D CB 2.093 42.892 40.800 -0.001 0.000 1.290 387 D HN -0.506 7.862 8.370 -0.003 0.000 0.420 388 R N -0.816 119.678 120.500 -0.010 0.000 2.276 388 R HA 0.059 nan 4.340 nan 0.000 0.196 388 R C 1.633 177.920 176.300 -0.021 0.000 0.961 388 R CA 1.737 57.826 56.100 -0.018 0.000 1.024 388 R CB 0.187 30.476 30.300 -0.018 0.000 0.940 388 R HN 0.419 8.685 8.270 -0.007 0.000 0.480 389 S N 3.281 118.973 115.700 -0.013 0.000 2.420 389 S HA -0.250 nan 4.470 nan 0.000 0.237 389 S C 1.224 175.817 174.600 -0.013 0.000 1.023 389 S CA 3.499 61.693 58.200 -0.011 0.000 0.991 389 S CB -0.557 62.640 63.200 -0.005 0.000 0.792 389 S HN -0.081 8.481 8.310 -0.009 -0.258 0.488 390 G N -1.451 107.341 108.800 -0.012 0.000 3.042 390 G HA2 -0.010 nan 3.960 nan 0.000 0.212 390 G HA3 -0.010 nan 3.960 nan 0.000 0.212 390 G C -1.017 173.867 174.900 -0.027 0.000 1.166 390 G CA -0.330 44.764 45.100 -0.009 0.000 0.767 390 G HN -0.485 7.767 8.290 -0.011 0.031 0.546 391 L N 2.548 123.741 121.223 -0.049 0.000 2.367 391 L HA 0.152 nan 4.340 nan 0.000 0.275 391 L C -1.291 175.506 176.870 -0.121 0.000 1.129 391 L CA -1.801 52.978 54.840 -0.101 0.000 0.839 391 L CB 0.347 42.342 42.059 -0.107 0.000 1.133 391 L HN -0.010 7.998 8.230 -0.042 0.197 0.453 392 P HA 0.067 nan 4.420 nan 0.000 0.273 392 P C 0.316 177.529 177.300 -0.146 0.000 1.250 392 P CA -0.833 62.186 63.100 -0.136 0.000 0.793 392 P CB 1.006 32.627 31.700 -0.131 0.000 1.011 393 Q N 0.716 120.471 119.800 -0.077 0.000 2.124 393 Q HA -0.403 nan 4.340 nan 0.000 0.202 393 Q C 1.962 177.924 176.000 -0.062 0.000 0.977 393 Q CA 4.081 59.852 55.803 -0.052 0.000 0.850 393 Q CB -0.819 27.911 28.738 -0.014 0.000 0.901 393 Q HN 0.714 8.956 8.270 -0.047 0.000 0.429 394 A N -0.832 121.951 122.820 -0.061 0.000 1.930 394 A HA -0.171 nan 4.320 nan 0.000 0.217 394 A C 1.723 179.156 177.584 -0.251 0.000 1.175 394 A CA 2.732 54.766 52.037 -0.006 0.000 0.627 394 A CB -1.043 18.075 19.000 0.197 0.000 0.815 394 A HN 0.190 8.302 8.150 -0.045 0.011 0.443 395 A N -0.569 121.851 122.820 -0.666 0.000 1.877 395 A HA -0.174 nan 4.320 nan 0.000 0.216 395 A C 2.324 179.712 177.584 -0.327 0.000 1.186 395 A CA 2.784 54.237 52.037 -0.974 0.000 0.620 395 A CB -0.883 17.551 19.000 -0.944 0.000 0.822 395 A HN 0.006 7.736 8.150 -0.560 0.085 0.443 396 L N -4.296 116.807 121.223 -0.199 0.000 2.275 396 L HA -0.422 nan 4.340 nan 0.000 0.215 396 L C 2.283 179.140 176.870 -0.021 0.000 1.119 396 L CA 2.650 57.441 54.840 -0.081 0.000 0.790 396 L CB -0.962 41.059 42.059 -0.062 0.000 0.919 396 L HN -0.112 7.982 8.230 -0.226 0.000 0.443 397 N N -0.161 118.537 118.700 -0.003 0.000 2.300 397 N HA -0.191 nan 4.740 nan 0.000 0.179 397 N C 2.060 177.654 175.510 0.139 0.000 1.016 397 N CA 3.091 56.176 53.050 0.059 0.000 0.876 397 N CB 0.112 38.638 38.487 0.065 0.000 0.979 397 N HN -0.351 7.863 8.380 -0.046 0.138 0.432 398 Y N 2.451 122.765 120.300 0.024 0.000 2.242 398 Y HA -0.304 nan 4.550 nan 0.000 0.291 398 Y C 1.578 177.513 175.900 0.058 0.000 1.137 398 Y CA 3.126 61.285 58.100 0.099 0.000 1.181 398 Y CB 0.048 38.650 38.460 0.237 0.000 0.989 398 Y HN -0.224 8.099 8.280 0.206 0.081 0.527 399 I N -1.624 118.969 120.570 0.037 0.000 2.127 399 I HA -0.602 nan 4.170 nan 0.000 0.241 399 I C 2.056 178.139 176.117 -0.057 0.000 1.075 399 I CA 2.772 64.036 61.300 -0.059 0.000 1.334 399 I CB -1.327 36.664 38.000 -0.014 0.000 1.040 399 I HN -0.353 7.919 8.210 0.103 0.000 0.405 400 K N -0.493 119.900 120.400 -0.013 0.000 2.074 400 K HA -0.420 nan 4.320 nan 0.000 0.209 400 K C 2.599 179.192 176.600 -0.012 0.000 1.048 400 K CA 3.848 60.132 56.287 -0.004 0.000 0.926 400 K CB -0.500 32.005 32.500 0.008 0.000 0.713 400 K HN -0.567 7.685 8.250 0.004 0.000 0.444 401 R N -1.452 119.039 120.500 -0.015 0.000 2.073 401 R HA -0.281 nan 4.340 nan 0.000 0.234 401 R C 2.427 178.694 176.300 -0.054 0.000 1.134 401 R CA 3.013 59.102 56.100 -0.018 0.000 0.952 401 R CB -0.400 29.906 30.300 0.010 0.000 0.850 401 R HN -0.730 7.541 8.270 0.003 0.000 0.433 402 I N -0.180 120.309 120.570 -0.136 0.000 2.194 402 I HA -0.577 nan 4.170 nan 0.000 0.246 402 I C 2.173 178.269 176.117 -0.036 0.000 1.093 402 I CA 4.299 65.508 61.300 -0.152 0.000 1.355 402 I CB -0.601 37.224 38.000 -0.292 0.000 1.046 402 I HN -0.314 7.778 8.210 -0.197 0.000 0.413 403 E N -0.207 119.988 120.200 -0.008 0.000 2.047 403 E HA -0.369 nan 4.350 nan 0.000 0.191 403 E C 2.654 179.274 176.600 0.032 0.000 0.987 403 E CA 3.606 60.035 56.400 0.049 0.000 0.799 403 E CB -0.313 29.411 29.700 0.040 0.000 0.752 403 E HN 0.292 8.574 8.360 -0.038 0.055 0.449 404 E N -0.269 119.938 120.200 0.011 0.000 2.153 404 E HA -0.303 nan 4.350 nan 0.000 0.194 404 E C 2.352 178.955 176.600 0.006 0.000 0.988 404 E CA 2.749 59.153 56.400 0.007 0.000 0.811 404 E CB -0.062 29.640 29.700 0.003 0.000 0.746 404 E HN 0.480 8.709 8.360 0.003 0.132 0.466 405 L N -3.086 118.140 121.223 0.005 0.000 2.162 405 L HA -0.070 nan 4.340 nan 0.000 0.205 405 L C 2.074 178.952 176.870 0.015 0.000 1.086 405 L CA 2.496 57.337 54.840 0.002 0.000 0.778 405 L CB 0.597 42.652 42.059 -0.007 0.000 0.928 405 L HN 0.477 8.577 8.230 -0.000 0.129 0.446 406 T N -5.350 109.233 114.554 0.048 0.000 3.035 406 T HA 0.055 nan 4.350 nan 0.000 0.259 406 T C 1.384 176.116 174.700 0.053 0.000 1.078 406 T CA 1.364 63.519 62.100 0.091 0.000 1.132 406 T CB 0.528 69.547 68.868 0.252 0.000 0.900 406 T HN -0.075 8.197 8.240 0.053 0.000 0.480 407 G N 2.535 111.357 108.800 0.037 0.000 2.256 407 G HA2 -0.406 nan 3.960 nan 0.000 0.272 407 G HA3 -0.406 nan 3.960 nan 0.000 0.272 407 G C -1.423 173.457 174.900 -0.035 0.000 1.076 407 G CA 0.384 45.482 45.100 -0.003 0.000 0.882 407 G HN -0.101 8.217 8.290 0.048 0.000 0.497 408 V N -0.385 119.520 119.914 -0.015 0.000 2.950 408 V HA 0.224 nan 4.120 nan 0.000 0.295 408 V C -2.863 173.233 176.094 0.003 0.000 1.297 408 V CA -2.288 59.943 62.300 -0.116 0.000 0.962 408 V CB 3.700 35.290 31.823 -0.388 0.000 1.081 408 V HN -0.661 7.564 8.190 0.059 0.000 0.432 409 P HA 0.438 nan 4.420 nan 0.000 0.287 409 P C -1.622 175.768 177.300 0.151 0.000 1.296 409 P CA -2.305 60.840 63.100 0.075 0.000 0.811 409 P CB 2.066 33.785 31.700 0.031 0.000 1.211 410 I N -1.141 119.524 120.570 0.158 0.000 2.330 410 I HA 0.046 nan 4.170 nan 0.000 0.286 410 I C -0.544 175.636 176.117 0.105 0.000 1.025 410 I CA -0.214 61.192 61.300 0.177 0.000 1.197 410 I CB 0.544 38.624 38.000 0.134 0.000 1.358 410 I HN -0.376 8.105 8.210 0.112 -0.204 0.467 411 D N 7.391 127.855 120.400 0.108 0.000 2.216 411 D HA 0.122 nan 4.640 nan 0.000 0.208 411 D C -0.580 175.752 176.300 0.052 0.000 0.960 411 D CA 2.610 56.653 54.000 0.072 0.000 0.861 411 D CB 1.556 42.406 40.800 0.084 0.000 0.985 411 D HN 0.045 8.498 8.370 0.139 0.000 0.493 412 I N -1.471 119.139 120.570 0.067 0.000 2.433 412 I HA 0.335 nan 4.170 nan 0.000 0.292 412 I C -2.151 173.998 176.117 0.054 0.000 1.001 412 I CA -0.399 60.928 61.300 0.046 0.000 1.119 412 I CB 2.905 40.928 38.000 0.038 0.000 1.289 412 I HN -0.600 7.669 8.210 0.098 0.000 0.438 413 I N 6.707 127.299 120.570 0.037 0.000 2.433 413 I HA 0.506 nan 4.170 nan 0.000 0.292 413 I C -1.665 174.467 176.117 0.025 0.000 1.001 413 I CA -1.436 59.886 61.300 0.037 0.000 1.119 413 I CB 2.669 40.685 38.000 0.028 0.000 1.289 413 I HN -0.109 8.117 8.210 0.026 0.000 0.438 414 S N 5.713 121.431 115.700 0.029 0.000 2.454 414 S HA 0.680 nan 4.470 nan 0.000 0.306 414 S C -0.098 174.501 174.600 -0.002 0.000 1.100 414 S CA -1.470 56.733 58.200 0.006 0.000 1.087 414 S CB 2.072 65.275 63.200 0.005 0.000 1.019 414 S HN 0.775 9.112 8.310 0.045 0.000 0.480 415 T N 1.507 116.027 114.554 -0.057 0.000 3.182 415 T HA 0.526 nan 4.350 nan 0.000 0.277 415 T C -1.077 173.423 174.700 -0.333 0.000 1.013 415 T CA -1.709 60.333 62.100 -0.097 0.000 0.900 415 T CB 0.766 69.600 68.868 -0.056 0.000 1.098 415 T HN 0.970 9.053 8.240 -0.071 0.115 0.543 416 G N 0.408 108.990 108.800 -0.364 0.000 2.355 416 G HA2 0.262 nan 3.960 nan 0.000 0.296 416 G HA3 0.262 nan 3.960 nan 0.000 0.296 416 G C -2.793 171.924 174.900 -0.306 0.000 1.507 416 G CA 0.394 45.083 45.100 -0.685 0.000 0.823 416 G HN -0.760 7.408 8.290 -0.203 0.000 0.569 417 P HA 0.008 nan 4.420 nan 0.000 0.242 417 P C -1.659 175.612 177.300 -0.050 0.000 1.197 417 P CA 0.738 63.805 63.100 -0.054 0.000 0.765 417 P CB 0.506 32.228 31.700 0.037 0.000 0.936 418 D N -0.867 119.483 120.400 -0.083 0.000 2.163 418 D HA 0.063 nan 4.640 nan 0.000 0.248 418 D C 0.886 177.159 176.300 -0.045 0.000 1.035 418 D CA -1.711 52.262 54.000 -0.045 0.000 0.872 418 D CB 2.021 42.803 40.800 -0.031 0.000 1.183 418 D HN -0.486 7.719 8.370 -0.151 0.075 0.445 419 R N 4.833 125.321 120.500 -0.021 0.000 2.168 419 R HA -0.498 nan 4.340 nan 0.000 0.242 419 R C 1.895 178.184 176.300 -0.018 0.000 1.123 419 R CA 3.747 59.840 56.100 -0.011 0.000 0.928 419 R CB -0.265 30.035 30.300 0.001 0.000 0.873 419 R HN 0.605 8.868 8.270 -0.012 0.000 0.434 420 T N -4.283 110.261 114.554 -0.018 0.000 2.760 420 T HA -0.251 nan 4.350 nan 0.000 0.269 420 T C 2.243 176.924 174.700 -0.032 0.000 1.047 420 T CA 2.755 64.844 62.100 -0.018 0.000 1.139 420 T CB -0.862 67.999 68.868 -0.012 0.000 0.855 420 T HN -0.170 8.326 8.240 -0.014 -0.264 0.471 421 E N 3.293 123.459 120.200 -0.058 0.000 2.860 421 E HA 0.053 nan 4.350 nan 0.000 0.318 421 E C -1.691 174.871 176.600 -0.064 0.000 1.481 421 E CA -0.284 56.063 56.400 -0.088 0.000 1.613 421 E CB -1.748 27.845 29.700 -0.179 0.000 1.279 421 E HN 0.034 8.203 8.360 -0.063 0.153 0.489 422 T N 0.601 115.135 114.554 -0.034 0.000 2.916 422 T HA 0.596 nan 4.350 nan 0.000 0.305 422 T C -1.162 173.533 174.700 -0.009 0.000 1.119 422 T CA -0.526 61.563 62.100 -0.018 0.000 1.008 422 T CB 2.874 71.736 68.868 -0.010 0.000 1.129 422 T HN 0.137 8.292 8.240 -0.028 0.068 0.480 423 M N 5.136 124.735 119.600 -0.002 0.000 2.016 423 M HA 0.266 nan 4.480 nan 0.000 0.315 423 M C -1.093 175.210 176.300 0.005 0.000 0.930 423 M CA -0.916 54.385 55.300 0.001 0.000 0.899 423 M CB 1.781 34.382 32.600 0.002 0.000 1.401 423 M HN 0.854 9.145 8.290 0.002 0.000 0.386 424 I N 3.288 123.859 120.570 0.001 0.000 2.293 424 I HA -0.150 nan 4.170 nan 0.000 0.299 424 I C -0.048 176.067 176.117 -0.002 0.000 1.153 424 I CA 0.629 61.928 61.300 -0.002 0.000 1.302 424 I CB -0.856 37.139 38.000 -0.009 0.000 1.460 424 I HN 0.505 8.715 8.210 -0.001 0.000 0.552 425 L N 7.815 129.040 121.223 0.004 0.000 2.217 425 L HA -0.215 nan 4.340 nan 0.000 0.211 425 L C 0.580 177.451 176.870 0.002 0.000 1.107 425 L CA 2.647 57.491 54.840 0.007 0.000 0.783 425 L CB 0.173 42.242 42.059 0.016 0.000 0.919 425 L HN 0.797 9.033 8.230 0.010 0.000 0.442 426 R N -2.224 118.271 120.500 -0.008 0.000 3.749 426 R HA 0.073 nan 4.340 nan 0.000 0.142 426 R C -1.293 174.965 176.300 -0.070 0.000 0.750 426 R CA -0.265 55.821 56.100 -0.024 0.000 1.004 426 R CB 2.187 32.485 30.300 -0.004 0.000 1.509 426 R HN -0.666 7.577 8.270 -0.007 0.023 0.494 427 D N -2.247 118.085 120.400 -0.113 0.000 5.791 427 D HA 0.010 nan 4.640 nan 0.000 0.232 427 D C -1.447 174.625 176.300 -0.380 0.000 1.696 427 D CA -0.103 53.786 54.000 -0.185 0.000 1.436 427 D CB 0.189 40.928 40.800 -0.101 0.000 0.597 427 D HN -0.257 8.060 8.370 -0.089 0.000 0.322 428 P HA -0.207 nan 4.420 nan 0.000 0.216 428 P C 0.704 177.475 177.300 -0.882 0.000 1.153 428 P CA 2.014 64.343 63.100 -1.284 0.000 0.858 428 P CB 0.182 31.082 31.700 -1.333 0.000 0.789 429 F N -5.892 113.743 119.950 -0.525 0.000 2.408 429 F HA -0.181 nan 4.527 nan 0.000 0.300 429 F C 0.970 176.521 175.800 -0.416 0.000 1.090 429 F CA 2.348 59.956 58.000 -0.652 0.000 1.427 429 F CB -0.373 37.983 39.000 -1.072 0.000 1.070 429 F HN -0.128 8.050 8.300 -0.628 -0.254 0.549 430 D N -2.809 117.528 120.400 -0.104 0.000 2.392 430 D HA 0.040 nan 4.640 nan 0.000 0.206 430 D C -0.479 175.826 176.300 0.008 0.000 1.046 430 D CA 0.428 54.434 54.000 0.009 0.000 0.865 430 D CB 0.898 41.704 40.800 0.011 0.000 0.969 430 D HN -0.598 7.635 8.370 -0.173 0.034 0.509 431 A N 0.000 122.786 122.820 -0.056 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 431 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 431 A HN 0.000 8.057 8.150 -0.156 0.000 0.486