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 2i6a_1_D DATA FIRST_RESID 3 DATA SEQUENCE SVRENILFGM GNPLLDISAV VDKDFLDKYS LKPNDQILAE DKHKELFDEL DATA SEQUENCE VKKFKVEYHA GGSTQNSIKV AQWMIQQPHK AATFFGCIGI DKFGEILKRK DATA SEQUENCE AAEAHVDAHY YEQNEQPTGT CAACITGDNR SLIANLAAAN CYKKEKHLDL DATA SEQUENCE EKNWMLVEKA RVCYIAGFFL TVSPESVLKV AHHASENNRI FTLNLSAPFI DATA SEQUENCE SQFYKESLMK VMPYVDILFG NETEAATFAR EQGFETKDIK EIAKKTQALP DATA SEQUENCE KMNSKRQRIV IFTQGRDDTI MATESEVTAF AVLDQDQKEI IDTNGAGDAF DATA SEQUENCE VGGFLSQLVS DKPLTECIRA GHYAASIIIR RTGCTFPEKP DFH 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.584 174.600 -0.027 0.000 1.055 3 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 3 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 4 V N -0.415 119.484 119.914 -0.025 0.000 2.680 4 V HA 0.948 5.076 4.120 0.014 0.000 0.309 4 V C -0.448 175.641 176.094 -0.009 0.000 1.052 4 V CA -1.170 61.121 62.300 -0.015 0.000 0.908 4 V CB 1.606 33.419 31.823 -0.015 0.000 1.001 4 V HN 0.295 nan 8.190 nan 0.000 0.431 5 R N 2.090 122.589 120.500 -0.000 0.000 2.541 5 R HA 0.520 4.869 4.340 0.014 0.000 0.263 5 R C 0.122 176.433 176.300 0.020 0.000 1.112 5 R CA -0.710 55.394 56.100 0.007 0.000 1.170 5 R CB 0.110 30.415 30.300 0.008 0.000 1.167 5 R HN 0.879 nan 8.270 nan 0.000 0.582 6 E N 0.651 120.869 120.200 0.030 0.000 2.404 6 E HA 0.049 4.407 4.350 0.014 0.000 0.261 6 E C -0.613 176.019 176.600 0.054 0.000 1.074 6 E CA -0.171 56.259 56.400 0.050 0.000 0.917 6 E CB 0.071 29.810 29.700 0.065 0.000 0.965 6 E HN 0.624 nan 8.360 nan 0.000 0.433 7 N N -0.299 118.443 118.700 0.071 0.000 2.828 7 N HA -0.246 4.502 4.740 0.014 0.000 0.248 7 N C 0.574 176.120 175.510 0.059 0.000 1.044 7 N CA 0.782 53.879 53.050 0.077 0.000 0.851 7 N CB -1.327 37.205 38.487 0.075 0.000 1.136 7 N HN 0.646 nan 8.380 nan 0.000 0.572 8 I N 0.002 120.600 120.570 0.047 0.000 2.361 8 I HA -0.087 4.092 4.170 0.014 0.000 0.251 8 I C 0.590 176.739 176.117 0.054 0.000 1.133 8 I CA 1.108 62.431 61.300 0.039 0.000 1.413 8 I CB 0.189 38.204 38.000 0.025 0.000 1.073 8 I HN 0.218 nan 8.210 nan 0.000 0.424 9 L N 1.324 122.581 121.223 0.057 0.000 2.282 9 L HA 0.280 4.628 4.340 0.014 0.000 0.288 9 L C -1.244 175.674 176.870 0.080 0.000 1.033 9 L CA -0.506 54.371 54.840 0.061 0.000 0.807 9 L CB 1.523 43.598 42.059 0.026 0.000 1.209 9 L HN -0.018 nan 8.230 nan 0.000 0.423 10 F N 4.180 124.102 119.950 -0.048 0.000 2.467 10 F HA 0.756 5.291 4.527 0.014 0.000 0.336 10 F C -0.023 175.724 175.800 -0.087 0.000 1.123 10 F CA -0.368 57.562 58.000 -0.116 0.000 0.964 10 F CB 1.780 40.662 39.000 -0.196 0.000 1.136 10 F HN 0.383 nan 8.300 nan 0.000 0.447 11 G N 6.444 114.483 108.800 -1.270 0.000 2.659 11 G HA2 0.656 4.624 3.960 0.014 0.000 0.296 11 G HA3 0.656 4.624 3.960 0.014 0.000 0.296 11 G C -1.820 172.454 174.900 -1.045 0.000 1.369 11 G CA -1.066 43.541 45.100 -0.822 0.000 0.937 11 G HN 0.891 nan 8.290 nan 0.000 0.485 12 M N 0.793 119.955 119.600 -0.729 0.000 2.413 12 M HA 0.853 5.342 4.480 0.014 0.000 0.287 12 M C -0.324 175.454 176.300 -0.871 0.000 1.186 12 M CA -0.600 54.148 55.300 -0.920 0.000 0.927 12 M CB 2.111 34.268 32.600 -0.739 0.000 1.715 12 M HN 1.351 nan 8.290 nan 0.000 0.478 13 G N 1.185 109.369 108.800 -1.026 0.000 2.510 13 G HA2 0.357 4.326 3.960 0.014 0.000 0.277 13 G HA3 0.357 4.326 3.960 0.014 0.000 0.277 13 G C -1.879 172.785 174.900 -0.393 0.000 1.223 13 G CA -0.794 43.835 45.100 -0.785 0.000 0.887 13 G HN 0.697 nan 8.290 nan 0.000 0.485 14 N N 2.122 120.859 118.700 0.062 0.000 2.462 14 N HA 0.422 5.171 4.740 0.014 0.000 0.242 14 N C -2.806 172.819 175.510 0.191 0.000 1.010 14 N CA -0.980 52.166 53.050 0.161 0.000 0.939 14 N CB 1.628 40.207 38.487 0.154 0.000 1.127 14 N HN 0.031 nan 8.380 nan 0.000 0.509 15 P HA 0.246 nan 4.420 nan 0.000 0.275 15 P C -0.388 176.963 177.300 0.085 0.000 1.276 15 P CA 0.129 63.376 63.100 0.245 0.000 0.782 15 P CB 0.562 32.451 31.700 0.315 0.000 0.851 16 L N 3.008 124.246 121.223 0.024 0.000 2.333 16 L HA 0.579 4.928 4.340 0.014 0.000 0.263 16 L C -0.405 176.422 176.870 -0.071 0.000 1.014 16 L CA -1.306 53.516 54.840 -0.030 0.000 0.820 16 L CB 1.777 43.809 42.059 -0.046 0.000 1.352 16 L HN 0.108 nan 8.230 nan 0.000 0.421 17 L N 1.486 122.633 121.223 -0.128 0.000 2.280 17 L HA 0.426 4.775 4.340 0.014 0.000 0.287 17 L C -0.802 175.985 176.870 -0.138 0.000 1.023 17 L CA -0.099 54.626 54.840 -0.192 0.000 0.819 17 L CB 0.859 42.635 42.059 -0.473 0.000 1.212 17 L HN 0.375 nan 8.230 nan 0.000 0.420 18 D N 5.915 126.274 120.400 -0.069 0.000 2.351 18 D HA 0.324 4.973 4.640 0.014 0.000 0.251 18 D C -0.206 176.063 176.300 -0.051 0.000 1.137 18 D CA 0.605 54.584 54.000 -0.035 0.000 0.879 18 D CB 1.239 42.036 40.800 -0.005 0.000 1.181 18 D HN 0.376 nan 8.370 nan 0.000 0.448 19 I N 1.736 122.267 120.570 -0.064 0.000 2.382 19 I HA 0.149 4.328 4.170 0.014 0.000 0.285 19 I C 0.169 176.195 176.117 -0.151 0.000 1.007 19 I CA -0.533 60.665 61.300 -0.171 0.000 1.142 19 I CB 1.259 39.223 38.000 -0.060 0.000 1.289 19 I HN 0.216 nan 8.210 nan 0.000 0.453 20 S N 5.559 121.148 115.700 -0.186 0.000 2.607 20 S HA 0.982 5.461 4.470 0.014 0.000 0.303 20 S C -0.669 173.828 174.600 -0.172 0.000 1.086 20 S CA -0.449 57.665 58.200 -0.143 0.000 0.995 20 S CB 2.643 65.800 63.200 -0.072 0.000 1.084 20 S HN 0.863 nan 8.310 nan 0.000 0.507 21 A N 1.286 123.997 122.820 -0.180 0.000 2.586 21 A HA 0.532 4.860 4.320 0.014 0.000 0.296 21 A C -1.206 176.242 177.584 -0.226 0.000 1.040 21 A CA -0.682 51.246 52.037 -0.183 0.000 0.701 21 A CB 0.554 19.430 19.000 -0.208 0.000 1.277 21 A HN 1.309 nan 8.150 nan 0.000 0.413 22 V N 2.413 122.239 119.914 -0.147 0.000 2.470 22 V HA 0.446 4.574 4.120 0.014 0.000 0.276 22 V C 1.028 176.986 176.094 -0.226 0.000 1.040 22 V CA 0.362 62.580 62.300 -0.138 0.000 1.008 22 V CB 0.258 32.056 31.823 -0.041 0.000 0.990 22 V HN 1.429 nan 8.190 nan 0.000 0.477 23 V N 2.139 121.835 119.914 -0.363 0.000 3.485 23 V HA 0.827 4.955 4.120 0.014 0.000 0.293 23 V C -0.494 175.561 176.094 -0.064 0.000 1.253 23 V CA -0.617 61.363 62.300 -0.533 0.000 0.991 23 V CB 2.058 33.276 31.823 -1.009 0.000 1.252 23 V HN 0.822 nan 8.190 nan 0.000 0.473 24 D N -1.618 118.821 120.400 0.064 0.000 2.531 24 D HA 0.302 4.950 4.640 0.014 0.000 0.244 24 D C 0.402 176.790 176.300 0.147 0.000 1.090 24 D CA -0.699 53.382 54.000 0.135 0.000 0.989 24 D CB 2.216 43.132 40.800 0.192 0.000 1.433 24 D HN 0.566 nan 8.370 nan 0.000 0.492 25 K N -0.253 120.211 120.400 0.107 0.000 2.152 25 K HA -0.158 4.170 4.320 0.014 0.000 0.206 25 K C 0.866 177.530 176.600 0.107 0.000 1.048 25 K CA 1.509 57.851 56.287 0.091 0.000 0.933 25 K CB -0.025 32.510 32.500 0.058 0.000 0.721 25 K HN 0.275 nan 8.250 nan 0.000 0.447 26 D N -0.161 120.316 120.400 0.129 0.000 2.149 26 D HA -0.178 4.470 4.640 0.014 0.000 0.198 26 D C 1.468 177.855 176.300 0.145 0.000 0.990 26 D CA 0.878 54.948 54.000 0.116 0.000 0.839 26 D CB -0.178 40.698 40.800 0.126 0.000 0.948 26 D HN 0.205 nan 8.370 nan 0.000 0.460 27 F N 1.015 121.026 119.950 0.101 0.000 2.113 27 F HA -0.097 4.439 4.527 0.015 0.000 0.297 27 F C 2.060 177.940 175.800 0.134 0.000 1.103 27 F CA 1.096 59.179 58.000 0.138 0.000 1.248 27 F CB -0.241 38.816 39.000 0.095 0.000 0.999 27 F HN -0.109 nan 8.300 nan 0.000 0.475 28 L N -0.225 121.098 121.223 0.165 0.000 2.046 28 L HA -0.226 4.123 4.340 0.014 0.000 0.208 28 L C 2.157 179.025 176.870 -0.002 0.000 1.077 28 L CA 1.423 56.306 54.840 0.073 0.000 0.747 28 L CB -0.913 41.198 42.059 0.087 0.000 0.896 28 L HN 0.082 nan 8.230 nan 0.000 0.432 29 D N 0.098 120.490 120.400 -0.013 0.000 2.117 29 D HA -0.152 4.497 4.640 0.014 0.000 0.198 29 D C 2.165 178.387 176.300 -0.130 0.000 0.982 29 D CA 0.958 54.932 54.000 -0.044 0.000 0.828 29 D CB -0.078 40.709 40.800 -0.022 0.000 0.967 29 D HN 0.035 nan 8.370 nan 0.000 0.464 30 K N 0.056 120.321 120.400 -0.225 0.000 2.173 30 K HA -0.161 4.167 4.320 0.014 0.000 0.207 30 K C 1.315 177.472 176.600 -0.739 0.000 1.046 30 K CA 1.116 57.118 56.287 -0.475 0.000 0.929 30 K CB -0.435 31.695 32.500 -0.615 0.000 0.720 30 K HN 0.371 nan 8.250 nan 0.000 0.453 31 Y N -0.765 119.411 120.300 -0.207 0.000 2.531 31 Y HA 0.228 4.787 4.550 0.015 0.000 0.249 31 Y C 0.144 176.033 175.900 -0.018 0.000 1.168 31 Y CA -0.290 57.740 58.100 -0.116 0.000 1.226 31 Y CB 0.465 38.811 38.460 -0.191 0.000 1.177 31 Y HN -0.180 nan 8.280 nan 0.000 0.527 32 S N 1.152 116.865 115.700 0.022 0.000 3.631 32 S HA -0.193 4.286 4.470 0.014 0.000 0.366 32 S C -0.370 174.276 174.600 0.077 0.000 0.993 32 S CA 0.315 58.539 58.200 0.041 0.000 1.167 32 S CB -1.968 61.257 63.200 0.043 0.000 0.909 32 S HN 0.323 nan 8.310 nan 0.000 0.478 33 L N 0.848 122.106 121.223 0.059 0.000 2.322 33 L HA 0.461 4.809 4.340 0.014 0.000 0.279 33 L C 0.694 177.585 176.870 0.035 0.000 1.036 33 L CA -0.767 54.096 54.840 0.038 0.000 0.807 33 L CB 0.852 42.916 42.059 0.009 0.000 1.226 33 L HN 0.066 nan 8.230 nan 0.000 0.433 34 K N 2.556 122.977 120.400 0.036 0.000 2.270 34 K HA 0.183 4.511 4.320 0.014 0.000 0.276 34 K C -1.802 174.815 176.600 0.029 0.000 1.023 34 K CA -1.546 54.762 56.287 0.035 0.000 0.955 34 K CB 0.699 33.224 32.500 0.041 0.000 0.975 34 K HN 0.243 nan 8.250 nan 0.000 0.471 35 P HA -0.128 nan 4.420 nan 0.000 0.222 35 P C -0.473 176.836 177.300 0.015 0.000 1.147 35 P CA 1.274 64.387 63.100 0.020 0.000 0.790 35 P CB 0.230 31.941 31.700 0.019 0.000 0.780 36 N N -0.352 118.360 118.700 0.020 0.000 2.519 36 N HA 0.337 5.085 4.740 0.014 0.000 0.286 36 N C -1.496 174.035 175.510 0.036 0.000 1.079 36 N CA -0.376 52.686 53.050 0.021 0.000 0.878 36 N CB 1.070 39.567 38.487 0.016 0.000 1.375 36 N HN -0.259 nan 8.380 nan 0.000 0.514 37 D N 0.809 121.237 120.400 0.046 0.000 2.713 37 D HA 0.342 4.990 4.640 0.014 0.000 0.306 37 D C -1.561 174.802 176.300 0.105 0.000 1.299 37 D CA -0.157 53.889 54.000 0.076 0.000 0.823 37 D CB 1.337 42.180 40.800 0.073 0.000 1.353 37 D HN 0.377 nan 8.370 nan 0.000 0.447 38 Q N 0.625 120.530 119.800 0.176 0.000 2.269 38 Q HA 0.602 4.950 4.340 0.014 0.000 0.263 38 Q C -0.854 175.374 176.000 0.379 0.000 0.983 38 Q CA -0.583 55.376 55.803 0.260 0.000 0.777 38 Q CB 2.348 31.294 28.738 0.348 0.000 1.273 38 Q HN 0.489 nan 8.270 nan 0.000 0.440 39 I N -1.497 119.189 120.570 0.193 0.000 3.095 39 I HA 0.587 4.766 4.170 0.014 0.000 0.310 39 I C -1.264 174.747 176.117 -0.176 0.000 1.196 39 I CA -1.337 59.954 61.300 -0.015 0.000 0.985 39 I CB 1.622 39.604 38.000 -0.030 0.000 1.250 39 I HN 0.384 nan 8.210 nan 0.000 0.446 40 L N 3.035 123.998 121.223 -0.433 0.000 2.399 40 L HA 0.689 5.038 4.340 0.014 0.000 0.266 40 L C 0.698 177.529 176.870 -0.064 0.000 1.114 40 L CA -0.723 53.981 54.840 -0.226 0.000 0.804 40 L CB 1.264 43.168 42.059 -0.258 0.000 1.146 40 L HN 0.857 nan 8.230 nan 0.000 0.451 41 A N 2.494 125.336 122.820 0.037 0.000 2.450 41 A HA 0.327 4.655 4.320 0.014 0.000 0.255 41 A C 0.030 177.751 177.584 0.228 0.000 1.096 41 A CA -0.440 51.713 52.037 0.194 0.000 0.778 41 A CB 0.098 19.252 19.000 0.257 0.000 1.031 41 A HN 0.708 nan 8.150 nan 0.000 0.494 42 E N 1.168 121.619 120.200 0.418 0.000 2.446 42 E HA 0.134 4.492 4.350 0.014 0.000 0.251 42 E C 0.036 176.670 176.600 0.057 0.000 1.087 42 E CA -0.768 55.713 56.400 0.135 0.000 0.937 42 E CB 0.506 30.215 29.700 0.015 0.000 1.254 42 E HN 0.692 nan 8.360 nan 0.000 0.479 43 D N 0.740 121.129 120.400 -0.019 0.000 2.144 43 D HA -0.150 4.499 4.640 0.014 0.000 0.199 43 D C 1.532 177.797 176.300 -0.059 0.000 0.984 43 D CA 1.193 55.182 54.000 -0.019 0.000 0.834 43 D CB 0.159 40.945 40.800 -0.024 0.000 0.955 43 D HN 0.382 nan 8.370 nan 0.000 0.465 44 K N 0.315 120.598 120.400 -0.195 0.000 2.442 44 K HA -0.137 4.191 4.320 0.014 0.000 0.198 44 K C 1.262 177.796 176.600 -0.111 0.000 1.044 44 K CA 0.997 57.166 56.287 -0.196 0.000 0.948 44 K CB -0.196 32.125 32.500 -0.299 0.000 0.762 44 K HN 0.324 nan 8.250 nan 0.000 0.472 45 H N 1.333 120.473 119.070 0.117 0.000 2.553 45 H HA 0.171 4.735 4.556 0.014 0.000 0.276 45 H C 1.456 176.840 175.328 0.093 0.000 0.979 45 H CA 0.155 56.245 56.048 0.070 0.000 1.268 45 H CB 0.183 29.979 29.762 0.056 0.000 1.450 45 H HN 0.176 nan 8.280 nan 0.000 0.527 46 K N 1.074 121.623 120.400 0.249 0.000 2.163 46 K HA -0.277 4.052 4.320 0.014 0.000 0.210 46 K C 1.970 178.715 176.600 0.241 0.000 1.048 46 K CA 1.859 58.297 56.287 0.251 0.000 0.928 46 K CB -0.001 32.588 32.500 0.148 0.000 0.716 46 K HN 0.383 nan 8.250 nan 0.000 0.459 47 E N 1.101 121.424 120.200 0.205 0.000 2.110 47 E HA -0.183 4.176 4.350 0.014 0.000 0.193 47 E C 2.057 178.745 176.600 0.146 0.000 0.988 47 E CA 0.770 57.303 56.400 0.221 0.000 0.804 47 E CB -0.078 29.810 29.700 0.313 0.000 0.745 47 E HN 0.335 nan 8.360 nan 0.000 0.458 48 L N -0.091 121.007 121.223 -0.207 0.000 2.079 48 L HA -0.193 4.156 4.340 0.014 0.000 0.210 48 L C 1.854 178.572 176.870 -0.254 0.000 1.081 48 L CA 1.378 55.811 54.840 -0.678 0.000 0.752 48 L CB -0.265 40.948 42.059 -1.411 0.000 0.896 48 L HN 0.138 nan 8.230 nan 0.000 0.433 49 F N 0.378 120.324 119.950 -0.006 0.000 2.325 49 F HA -0.150 4.386 4.527 0.014 0.000 0.299 49 F C 2.265 178.128 175.800 0.105 0.000 1.090 49 F CA 1.213 59.245 58.000 0.053 0.000 1.392 49 F CB -0.329 38.700 39.000 0.049 0.000 1.053 49 F HN 0.190 nan 8.300 nan 0.000 0.521 50 D N 0.005 120.561 120.400 0.259 0.000 2.149 50 D HA -0.136 4.513 4.640 0.014 0.000 0.206 50 D C 2.151 178.573 176.300 0.203 0.000 0.967 50 D CA 1.355 55.482 54.000 0.212 0.000 0.848 50 D CB -0.427 40.481 40.800 0.179 0.000 0.998 50 D HN 0.472 nan 8.370 nan 0.000 0.474 51 E N 0.941 121.286 120.200 0.242 0.000 2.208 51 E HA -0.133 4.226 4.350 0.014 0.000 0.193 51 E C 2.210 179.003 176.600 0.322 0.000 0.988 51 E CA 0.368 56.940 56.400 0.288 0.000 0.828 51 E CB -0.275 29.646 29.700 0.369 0.000 0.763 51 E HN 0.096 nan 8.360 nan 0.000 0.478 52 L N 1.089 122.476 121.223 0.273 0.000 2.012 52 L HA -0.160 4.189 4.340 0.014 0.000 0.210 52 L C 2.355 179.318 176.870 0.154 0.000 1.073 52 L CA 1.453 56.351 54.840 0.096 0.000 0.748 52 L CB -0.436 41.567 42.059 -0.094 0.000 0.891 52 L HN 0.085 nan 8.230 nan 0.000 0.431 53 V N -0.422 119.581 119.914 0.149 0.000 2.295 53 V HA -0.301 3.828 4.120 0.014 0.000 0.246 53 V C 2.624 178.797 176.094 0.131 0.000 1.049 53 V CA 2.172 64.561 62.300 0.148 0.000 1.024 53 V CB -0.519 31.424 31.823 0.199 0.000 0.648 53 V HN 0.451 nan 8.190 nan 0.000 0.447 54 K N -0.157 120.319 120.400 0.128 0.000 2.001 54 K HA -0.133 4.196 4.320 0.014 0.000 0.208 54 K C 2.234 178.844 176.600 0.017 0.000 1.048 54 K CA 1.442 57.777 56.287 0.081 0.000 0.932 54 K CB -0.173 32.378 32.500 0.084 0.000 0.715 54 K HN 0.386 nan 8.250 nan 0.000 0.437 55 K N -0.451 119.942 120.400 -0.011 0.000 2.155 55 K HA 0.002 4.331 4.320 0.014 0.000 0.203 55 K C 0.252 176.526 176.600 -0.544 0.000 1.052 55 K CA 0.730 56.831 56.287 -0.310 0.000 0.948 55 K CB 0.123 32.336 32.500 -0.478 0.000 0.728 55 K HN -0.031 nan 8.250 nan 0.000 0.448 56 F N 0.915 120.815 119.950 -0.083 0.000 2.594 56 F HA 0.314 4.849 4.527 0.013 0.000 0.335 56 F C 0.149 175.900 175.800 -0.081 0.000 1.058 56 F CA -1.256 56.681 58.000 -0.105 0.000 0.981 56 F CB 0.778 39.664 39.000 -0.190 0.000 1.289 56 F HN -0.444 nan 8.300 nan 0.000 0.490 57 K N 1.556 122.030 120.400 0.124 0.000 2.171 57 K HA 0.327 4.655 4.320 0.014 0.000 0.274 57 K C -0.588 176.014 176.600 0.002 0.000 1.110 57 K CA -0.195 56.121 56.287 0.048 0.000 0.952 57 K CB 0.733 33.256 32.500 0.039 0.000 1.309 57 K HN 0.355 nan 8.250 nan 0.000 0.414 58 V N 2.581 122.469 119.914 -0.044 0.000 2.904 58 V HA 0.155 4.284 4.120 0.014 0.000 0.305 58 V C -0.089 175.829 176.094 -0.293 0.000 1.067 58 V CA -0.212 61.977 62.300 -0.185 0.000 1.044 58 V CB 1.397 33.086 31.823 -0.224 0.000 1.050 58 V HN 0.658 nan 8.190 nan 0.000 0.475 59 E N 3.132 123.089 120.200 -0.404 0.000 2.293 59 E HA 0.411 4.770 4.350 0.014 0.000 0.270 59 E C -2.019 174.236 176.600 -0.576 0.000 0.879 59 E CA -0.514 55.658 56.400 -0.379 0.000 0.756 59 E CB 2.531 32.155 29.700 -0.125 0.000 1.208 59 E HN 0.627 nan 8.360 nan 0.000 0.428 60 Y N 1.011 121.149 120.300 -0.271 0.000 2.377 60 Y HA 0.420 4.980 4.550 0.016 0.000 0.339 60 Y C 0.315 175.879 175.900 -0.560 0.000 1.011 60 Y CA -0.603 57.313 58.100 -0.307 0.000 1.093 60 Y CB 1.355 39.680 38.460 -0.226 0.000 1.201 60 Y HN 0.357 nan 8.280 nan 0.000 0.455 61 H N 0.556 119.627 119.070 0.002 0.000 2.996 61 H HA 0.568 5.133 4.556 0.014 0.000 0.368 61 H C -0.899 174.383 175.328 -0.076 0.000 1.185 61 H CA -1.160 54.859 56.048 -0.048 0.000 1.160 61 H CB 2.036 31.753 29.762 -0.074 0.000 1.820 61 H HN 0.818 nan 8.280 nan 0.000 0.547 62 A N 1.666 124.504 122.820 0.030 0.000 2.488 62 A HA 0.523 4.852 4.320 0.014 0.000 0.249 62 A C 0.759 178.321 177.584 -0.038 0.000 1.083 62 A CA 0.728 52.746 52.037 -0.031 0.000 0.768 62 A CB 0.076 19.049 19.000 -0.045 0.000 1.017 62 A HN 0.768 nan 8.150 nan 0.000 0.496 63 G N 0.121 108.888 108.800 -0.054 0.000 3.262 63 G HA2 0.804 4.773 3.960 0.014 0.000 0.229 63 G HA3 0.804 4.773 3.960 0.014 0.000 0.229 63 G C 0.158 175.018 174.900 -0.068 0.000 1.280 63 G CA -0.319 44.744 45.100 -0.060 0.000 0.951 63 G HN 2.285 nan 8.290 nan 0.000 0.589 64 G N -1.677 107.091 108.800 -0.054 0.000 3.067 64 G HA2 0.242 4.210 3.960 0.014 0.000 0.686 64 G HA3 0.242 4.210 3.960 0.014 0.000 0.686 64 G C 0.561 175.446 174.900 -0.025 0.000 1.119 64 G CA 0.643 45.723 45.100 -0.032 0.000 0.790 64 G HN 1.437 nan 8.290 nan 0.000 0.605 65 S N 0.548 116.287 115.700 0.066 0.000 2.345 65 S HA -0.083 4.395 4.470 0.014 0.000 0.219 65 S C 2.662 177.299 174.600 0.062 0.000 1.031 65 S CA 2.547 60.824 58.200 0.127 0.000 0.984 65 S CB -0.303 63.114 63.200 0.361 0.000 0.874 65 S HN 1.107 nan 8.310 nan 0.000 0.451 66 T N 1.839 116.427 114.554 0.057 0.000 2.788 66 T HA -0.128 4.231 4.350 0.014 0.000 0.268 66 T C 1.936 176.524 174.700 -0.187 0.000 1.044 66 T CA 1.513 63.620 62.100 0.011 0.000 1.139 66 T CB -0.408 68.438 68.868 -0.037 0.000 0.867 66 T HN 0.477 nan 8.240 nan 0.000 0.454 67 Q N 0.676 120.221 119.800 -0.425 0.000 2.050 67 Q HA -0.168 4.180 4.340 0.014 0.000 0.202 67 Q C 2.206 177.929 176.000 -0.462 0.000 0.980 67 Q CA 1.286 56.553 55.803 -0.894 0.000 0.840 67 Q CB -0.067 28.196 28.738 -0.792 0.000 0.898 67 Q HN 0.392 nan 8.270 nan 0.000 0.424 68 N N -0.233 118.314 118.700 -0.255 0.000 2.084 68 N HA -0.108 4.640 4.740 0.014 0.000 0.190 68 N C 1.850 177.265 175.510 -0.160 0.000 1.030 68 N CA 1.531 54.474 53.050 -0.178 0.000 0.849 68 N CB -0.429 37.988 38.487 -0.117 0.000 1.012 68 N HN 0.081 nan 8.380 nan 0.000 0.423 69 S N 0.804 116.427 115.700 -0.128 0.000 2.382 69 S HA 0.007 4.486 4.470 0.014 0.000 0.228 69 S C 1.896 176.413 174.600 -0.139 0.000 1.027 69 S CA 0.451 58.568 58.200 -0.139 0.000 0.991 69 S CB -0.044 63.072 63.200 -0.142 0.000 0.823 69 S HN 0.216 nan 8.310 nan 0.000 0.469 70 I N 2.043 122.527 120.570 -0.142 0.000 2.286 70 I HA -0.138 4.040 4.170 0.014 0.000 0.248 70 I C 2.082 178.134 176.117 -0.108 0.000 1.115 70 I CA 1.413 62.636 61.300 -0.130 0.000 1.392 70 I CB -1.001 36.891 38.000 -0.180 0.000 1.065 70 I HN 0.335 nan 8.210 nan 0.000 0.418 71 K N 0.304 120.619 120.400 -0.141 0.000 2.025 71 K HA -0.083 4.245 4.320 0.014 0.000 0.207 71 K C 2.110 178.699 176.600 -0.018 0.000 1.049 71 K CA 1.019 57.252 56.287 -0.089 0.000 0.933 71 K CB -0.365 32.055 32.500 -0.133 0.000 0.714 71 K HN 0.121 nan 8.250 nan 0.000 0.438 72 V N 1.759 121.642 119.914 -0.052 0.000 2.490 72 V HA -0.256 3.873 4.120 0.014 0.000 0.250 72 V C 2.386 178.551 176.094 0.119 0.000 1.061 72 V CA 2.015 64.329 62.300 0.024 0.000 1.064 72 V CB -0.664 31.125 31.823 -0.057 0.000 0.670 72 V HN 0.368 nan 8.190 nan 0.000 0.461 73 A N -0.470 122.362 122.820 0.020 0.000 1.898 73 A HA -0.245 4.083 4.320 0.014 0.000 0.216 73 A C 2.172 179.787 177.584 0.051 0.000 1.181 73 A CA 1.891 53.932 52.037 0.007 0.000 0.620 73 A CB -0.449 18.519 19.000 -0.053 0.000 0.819 73 A HN 0.525 nan 8.150 nan 0.000 0.442 74 Q N -1.388 118.454 119.800 0.070 0.000 2.123 74 Q HA -0.165 4.183 4.340 0.014 0.000 0.199 74 Q C 1.702 177.797 176.000 0.158 0.000 0.966 74 Q CA 1.875 57.734 55.803 0.093 0.000 0.845 74 Q CB -0.542 28.244 28.738 0.081 0.000 0.907 74 Q HN 0.741 nan 8.270 nan 0.000 0.439 75 W N -0.287 121.009 121.300 -0.006 0.000 2.381 75 W HA -0.122 4.544 4.660 0.009 0.000 0.301 75 W C 1.523 178.057 176.519 0.025 0.000 1.205 75 W CA 1.544 58.897 57.345 0.013 0.000 1.285 75 W CB -0.042 29.409 29.460 -0.015 0.000 1.133 75 W HN 0.115 nan 8.180 nan 0.000 0.521 76 M N -0.054 119.585 119.600 0.065 0.000 2.132 76 M HA -0.134 4.354 4.480 0.014 0.000 0.263 76 M C 2.075 178.274 176.300 -0.169 0.000 1.065 76 M CA 1.535 56.740 55.300 -0.158 0.000 1.122 76 M CB -1.474 31.128 32.600 0.004 0.000 1.365 76 M HN 0.103 nan 8.290 nan 0.000 0.411 77 I N -0.392 120.134 120.570 -0.075 0.000 2.286 77 I HA -0.344 3.835 4.170 0.014 0.000 0.248 77 I C 2.056 178.124 176.117 -0.081 0.000 1.115 77 I CA 1.131 62.391 61.300 -0.066 0.000 1.392 77 I CB -0.185 37.804 38.000 -0.019 0.000 1.065 77 I HN 0.343 nan 8.210 nan 0.000 0.418 78 Q N -0.428 119.329 119.800 -0.070 0.000 1.970 78 Q HA -0.415 3.933 4.340 0.014 0.000 0.173 78 Q C 1.379 177.374 176.000 -0.008 0.000 2.933 78 Q CA 2.497 58.261 55.803 -0.064 0.000 0.186 78 Q CB -1.037 27.600 28.738 -0.167 0.000 0.204 78 Q HN 0.463 nan 8.270 nan 0.000 0.365 79 Q N 1.345 121.115 119.800 -0.050 0.000 1.575 79 Q HA -0.092 4.256 4.340 0.014 0.000 0.488 79 Q C -1.527 174.428 176.000 -0.074 0.000 1.023 79 Q CA 2.386 58.150 55.803 -0.066 0.000 0.865 79 Q CB -1.086 27.613 28.738 -0.064 0.000 0.953 79 Q HN 0.555 nan 8.270 nan 0.000 0.380 80 P HA 0.117 nan 4.420 nan 0.000 0.287 80 P C -1.188 176.153 177.300 0.068 0.000 1.281 80 P CA 0.042 63.116 63.100 -0.043 0.000 0.781 80 P CB 0.734 32.425 31.700 -0.015 0.000 0.903 81 H N 2.581 121.622 119.070 -0.049 0.000 2.836 81 H HA 0.112 4.677 4.556 0.015 0.000 0.368 81 H C 0.964 176.310 175.328 0.030 0.000 1.164 81 H CA 0.154 56.187 56.048 -0.025 0.000 1.425 81 H CB 0.266 29.981 29.762 -0.079 0.000 1.414 81 H HN 0.454 nan 8.280 nan 0.000 0.614 82 K N -0.286 120.227 120.400 0.188 0.000 3.129 82 K HA -0.202 4.127 4.320 0.014 0.000 0.273 82 K C 0.743 177.408 176.600 0.108 0.000 1.123 82 K CA 0.575 56.943 56.287 0.136 0.000 0.800 82 K CB -1.535 31.047 32.500 0.137 0.000 1.238 82 K HN 0.655 nan 8.250 nan 0.000 0.492 83 A N 0.250 123.127 122.820 0.095 0.000 2.016 83 A HA 0.287 4.616 4.320 0.014 0.000 0.217 83 A C 1.006 178.626 177.584 0.060 0.000 1.162 83 A CA 1.191 53.267 52.037 0.065 0.000 0.662 83 A CB 0.236 19.265 19.000 0.048 0.000 0.812 83 A HN 0.505 nan 8.150 nan 0.000 0.450 84 A N -0.073 122.784 122.820 0.062 0.000 2.304 84 A HA 0.612 4.941 4.320 0.014 0.000 0.323 84 A C -0.081 177.537 177.584 0.056 0.000 1.195 84 A CA -0.315 51.747 52.037 0.041 0.000 0.826 84 A CB 0.491 19.500 19.000 0.015 0.000 1.184 84 A HN 0.171 nan 8.150 nan 0.000 0.496 85 T N 1.515 116.092 114.554 0.038 0.000 2.867 85 T HA 0.632 4.991 4.350 0.014 0.000 0.282 85 T C -1.101 173.543 174.700 -0.093 0.000 1.000 85 T CA -0.072 62.060 62.100 0.054 0.000 1.042 85 T CB 0.824 69.770 68.868 0.130 0.000 0.973 85 T HN 0.491 nan 8.240 nan 0.000 0.465 86 F N 2.946 122.795 119.950 -0.167 0.000 2.561 86 F HA 0.676 5.210 4.527 0.011 0.000 0.313 86 F C -2.218 173.628 175.800 0.076 0.000 1.126 86 F CA -1.925 55.914 58.000 -0.268 0.000 0.918 86 F CB 1.219 40.085 39.000 -0.225 0.000 1.199 86 F HN 0.391 nan 8.300 nan 0.000 0.444 87 F N 3.273 122.606 119.950 -1.028 0.000 2.520 87 F HA 0.862 5.396 4.527 0.012 0.000 0.322 87 F C 0.358 175.464 175.800 -1.157 0.000 1.103 87 F CA -1.495 56.077 58.000 -0.714 0.000 0.926 87 F CB 1.798 40.711 39.000 -0.145 0.000 1.154 87 F HN 0.657 nan 8.300 nan 0.000 0.453 88 G N 0.141 108.683 108.800 -0.430 0.000 2.559 88 G HA2 0.424 4.392 3.960 0.014 0.000 0.291 88 G HA3 0.424 4.392 3.960 0.014 0.000 0.291 88 G C -2.265 172.779 174.900 0.239 0.000 1.424 88 G CA -0.689 44.279 45.100 -0.221 0.000 0.786 88 G HN 0.783 nan 8.290 nan 0.000 0.485 89 C N 1.110 120.600 119.300 0.317 0.000 2.303 89 C HA 0.832 5.300 4.460 0.014 0.000 0.326 89 C C 0.492 175.620 174.990 0.230 0.000 1.285 89 C CA -0.695 58.530 59.018 0.345 0.000 1.675 89 C CB -1.519 26.421 27.740 0.333 0.000 2.289 89 C HN 0.674 nan 8.230 nan 0.000 0.512 90 I N 3.488 124.160 120.570 0.171 0.000 3.133 90 I HA 0.892 5.071 4.170 0.014 0.000 0.311 90 I C 0.479 176.633 176.117 0.062 0.000 1.072 90 I CA -0.692 60.639 61.300 0.052 0.000 1.015 90 I CB 1.482 39.411 38.000 -0.119 0.000 1.233 90 I HN 0.648 nan 8.210 nan 0.000 0.473 91 G N 1.349 110.168 108.800 0.032 0.000 2.504 91 G HA2 0.581 4.549 3.960 0.014 0.000 0.288 91 G HA3 0.581 4.549 3.960 0.014 0.000 0.288 91 G C -0.649 174.246 174.900 -0.008 0.000 1.182 91 G CA -0.778 44.337 45.100 0.025 0.000 0.894 91 G HN 0.586 nan 8.290 nan 0.000 0.521 92 I N 2.409 122.969 120.570 -0.016 0.000 2.268 92 I HA 0.253 4.431 4.170 0.014 0.000 0.290 92 I C -0.735 175.357 176.117 -0.043 0.000 1.125 92 I CA -0.115 61.166 61.300 -0.033 0.000 1.236 92 I CB 0.040 38.019 38.000 -0.035 0.000 1.469 92 I HN 0.590 nan 8.210 nan 0.000 0.512 93 D N 3.307 123.677 120.400 -0.050 0.000 2.713 93 D HA 0.121 4.770 4.640 0.014 0.000 0.306 93 D C 0.474 176.725 176.300 -0.083 0.000 1.299 93 D CA -0.885 53.066 54.000 -0.081 0.000 0.823 93 D CB 0.772 41.506 40.800 -0.111 0.000 1.353 93 D HN -0.099 nan 8.370 nan 0.000 0.447 94 K N -0.611 119.705 120.400 -0.141 0.000 2.015 94 K HA -0.173 4.156 4.320 0.014 0.000 0.216 94 K C 1.746 178.349 176.600 0.005 0.000 1.052 94 K CA 1.605 57.820 56.287 -0.120 0.000 0.937 94 K CB -0.404 31.958 32.500 -0.229 0.000 0.719 94 K HN 0.338 nan 8.250 nan 0.000 0.446 95 F N 0.591 120.475 119.950 -0.110 0.000 2.087 95 F HA -0.164 4.369 4.527 0.009 0.000 0.299 95 F C 2.594 178.329 175.800 -0.107 0.000 1.100 95 F CA 1.407 59.342 58.000 -0.108 0.000 1.226 95 F CB -1.609 37.340 39.000 -0.086 0.000 0.983 95 F HN 0.262 nan 8.300 nan 0.000 0.479 96 G N -0.848 108.005 108.800 0.089 0.000 2.446 96 G HA2 -0.319 3.650 3.960 0.014 0.000 0.217 96 G HA3 -0.319 3.650 3.960 0.014 0.000 0.217 96 G C 1.600 176.455 174.900 -0.074 0.000 1.168 96 G CA 1.109 46.184 45.100 -0.043 0.000 0.771 96 G HN 0.322 nan 8.290 nan 0.000 0.551 97 E N 0.373 120.551 120.200 -0.036 0.000 2.110 97 E HA -0.050 4.309 4.350 0.014 0.000 0.193 97 E C 2.483 179.066 176.600 -0.027 0.000 0.988 97 E CA 0.660 57.040 56.400 -0.035 0.000 0.804 97 E CB -0.293 29.390 29.700 -0.028 0.000 0.745 97 E HN 0.551 nan 8.360 nan 0.000 0.458 98 I N -0.043 120.521 120.570 -0.010 0.000 2.226 98 I HA -0.281 3.897 4.170 0.014 0.000 0.245 98 I C 2.165 178.261 176.117 -0.035 0.000 1.100 98 I CA 0.795 62.085 61.300 -0.017 0.000 1.374 98 I CB -0.255 37.742 38.000 -0.004 0.000 1.057 98 I HN 0.155 nan 8.210 nan 0.000 0.413 99 L N 0.485 121.672 121.223 -0.059 0.000 2.012 99 L HA -0.259 4.090 4.340 0.014 0.000 0.210 99 L C 2.587 179.434 176.870 -0.038 0.000 1.073 99 L CA 1.689 56.480 54.840 -0.082 0.000 0.748 99 L CB -0.613 41.350 42.059 -0.159 0.000 0.891 99 L HN 0.164 nan 8.230 nan 0.000 0.431 100 K N -0.215 120.142 120.400 -0.072 0.000 1.991 100 K HA -0.231 4.098 4.320 0.014 0.000 0.212 100 K C 2.180 178.824 176.600 0.072 0.000 1.049 100 K CA 1.644 57.980 56.287 0.082 0.000 0.932 100 K CB -0.298 32.237 32.500 0.059 0.000 0.717 100 K HN 0.119 nan 8.250 nan 0.000 0.441 101 R N 1.265 121.777 120.500 0.019 0.000 2.094 101 R HA -0.194 4.155 4.340 0.014 0.000 0.239 101 R C 1.924 178.215 176.300 -0.015 0.000 1.137 101 R CA 1.767 57.867 56.100 0.001 0.000 0.943 101 R CB 0.000 30.293 30.300 -0.013 0.000 0.850 101 R HN -0.034 nan 8.270 nan 0.000 0.433 102 K N 0.193 120.580 120.400 -0.020 0.000 2.074 102 K HA -0.141 4.187 4.320 0.014 0.000 0.209 102 K C 2.018 178.591 176.600 -0.044 0.000 1.048 102 K CA 1.564 57.827 56.287 -0.040 0.000 0.926 102 K CB -0.520 31.955 32.500 -0.040 0.000 0.713 102 K HN 0.376 nan 8.250 nan 0.000 0.444 103 A N 1.229 124.057 122.820 0.013 0.000 1.902 103 A HA -0.090 4.238 4.320 0.014 0.000 0.217 103 A C 2.410 179.983 177.584 -0.018 0.000 1.181 103 A CA 2.111 54.166 52.037 0.030 0.000 0.623 103 A CB -0.551 18.559 19.000 0.184 0.000 0.818 103 A HN 0.316 nan 8.150 nan 0.000 0.443 104 A N 0.004 122.818 122.820 -0.011 0.000 1.898 104 A HA -0.135 4.194 4.320 0.014 0.000 0.216 104 A C 1.845 179.341 177.584 -0.147 0.000 1.181 104 A CA 1.449 53.464 52.037 -0.036 0.000 0.620 104 A CB -0.522 18.477 19.000 -0.001 0.000 0.819 104 A HN 0.634 nan 8.150 nan 0.000 0.442 105 E N -0.132 119.964 120.200 -0.172 0.000 2.268 105 E HA -0.045 4.313 4.350 0.014 0.000 0.195 105 E C 1.719 178.015 176.600 -0.508 0.000 0.995 105 E CA 0.726 56.950 56.400 -0.292 0.000 0.836 105 E CB -0.203 29.396 29.700 -0.168 0.000 0.763 105 E HN 0.606 nan 8.360 nan 0.000 0.491 106 A N 0.661 123.273 122.820 -0.345 0.000 2.275 106 A HA -0.019 4.309 4.320 0.014 0.000 0.212 106 A C -0.145 177.293 177.584 -0.244 0.000 1.201 106 A CA -0.083 51.790 52.037 -0.273 0.000 0.843 106 A CB -0.248 18.671 19.000 -0.136 0.000 0.873 106 A HN 0.282 nan 8.150 nan 0.000 0.492 107 H N -1.787 117.215 119.070 -0.113 0.000 2.839 107 H HA -0.131 4.430 4.556 0.008 0.000 0.298 107 H C -0.334 174.954 175.328 -0.067 0.000 1.224 107 H CA 0.759 56.701 56.048 -0.177 0.000 1.144 107 H CB -2.491 27.009 29.762 -0.436 0.000 1.372 107 H HN 0.260 nan 8.280 nan 0.000 0.408 108 V N 0.725 120.654 119.914 0.025 0.000 2.539 108 V HA 0.090 4.219 4.120 0.014 0.000 0.292 108 V C 1.090 177.203 176.094 0.033 0.000 1.045 108 V CA -0.442 61.878 62.300 0.033 0.000 0.945 108 V CB 2.015 33.835 31.823 -0.005 0.000 0.993 108 V HN 0.193 nan 8.190 nan 0.000 0.464 109 D N 3.568 124.004 120.400 0.059 0.000 2.608 109 D HA 0.376 5.025 4.640 0.014 0.000 0.224 109 D C 0.347 176.625 176.300 -0.036 0.000 1.123 109 D CA 0.036 54.062 54.000 0.044 0.000 1.030 109 D CB 0.062 40.964 40.800 0.170 0.000 1.093 109 D HN 0.741 nan 8.370 nan 0.000 0.497 110 A N 3.318 126.043 122.820 -0.157 0.000 2.366 110 A HA 0.390 4.719 4.320 0.014 0.000 0.272 110 A C -0.416 176.825 177.584 -0.571 0.000 1.135 110 A CA -0.305 51.569 52.037 -0.272 0.000 0.804 110 A CB 0.415 19.265 19.000 -0.249 0.000 1.064 110 A HN 0.549 nan 8.150 nan 0.000 0.499 111 H N 1.958 120.901 119.070 -0.212 0.000 2.906 111 H HA 0.366 4.934 4.556 0.020 0.000 0.324 111 H C -1.589 173.607 175.328 -0.219 0.000 0.973 111 H CA 0.039 56.018 56.048 -0.115 0.000 1.321 111 H CB 1.028 30.750 29.762 -0.067 0.000 1.535 111 H HN 0.710 nan 8.280 nan 0.000 0.518 112 Y N 1.020 121.430 120.300 0.185 0.000 2.509 112 Y HA 0.200 4.755 4.550 0.008 0.000 0.341 112 Y C -0.285 175.703 175.900 0.146 0.000 1.038 112 Y CA -1.103 57.055 58.100 0.097 0.000 1.089 112 Y CB 1.977 40.494 38.460 0.096 0.000 1.241 112 Y HN 0.528 nan 8.280 nan 0.000 0.468 113 Y N 2.104 122.485 120.300 0.136 0.000 2.326 113 Y HA 0.393 4.952 4.550 0.016 0.000 0.337 113 Y C -0.734 175.241 175.900 0.125 0.000 1.023 113 Y CA -0.622 57.563 58.100 0.141 0.000 1.143 113 Y CB 0.685 39.159 38.460 0.023 0.000 1.183 113 Y HN 0.578 nan 8.280 nan 0.000 0.485 114 E N 5.446 125.498 120.200 -0.248 0.000 2.183 114 E HA 0.375 4.734 4.350 0.014 0.000 0.271 114 E C -1.267 175.193 176.600 -0.233 0.000 0.919 114 E CA -1.068 55.254 56.400 -0.130 0.000 0.781 114 E CB 1.774 31.427 29.700 -0.077 0.000 1.140 114 E HN 0.579 nan 8.360 nan 0.000 0.402 115 Q N 1.081 120.862 119.800 -0.031 0.000 2.511 115 Q HA 0.399 4.747 4.340 0.014 0.000 0.289 115 Q C -0.423 175.589 176.000 0.020 0.000 1.021 115 Q CA -0.850 54.957 55.803 0.007 0.000 0.785 115 Q CB 0.586 29.426 28.738 0.169 0.000 1.472 115 Q HN 0.274 nan 8.270 nan 0.000 0.411 116 N N 0.037 118.746 118.700 0.015 0.000 2.432 116 N HA -0.026 4.722 4.740 0.014 0.000 0.174 116 N C 0.378 175.899 175.510 0.017 0.000 1.037 116 N CA 0.653 53.707 53.050 0.006 0.000 0.892 116 N CB 0.375 38.859 38.487 -0.004 0.000 1.049 116 N HN 0.607 nan 8.380 nan 0.000 0.442 117 E N 1.109 121.328 120.200 0.032 0.000 2.070 117 E HA -0.073 4.286 4.350 0.014 0.000 0.197 117 E C 0.426 177.043 176.600 0.028 0.000 1.004 117 E CA 1.227 57.645 56.400 0.031 0.000 0.805 117 E CB 0.085 29.810 29.700 0.042 0.000 0.744 117 E HN 0.275 nan 8.360 nan 0.000 0.451 118 Q N 0.074 119.898 119.800 0.040 0.000 2.337 118 Q HA 0.332 4.680 4.340 0.014 0.000 0.266 118 Q C -2.441 173.578 176.000 0.032 0.000 1.023 118 Q CA -2.224 53.599 55.803 0.035 0.000 0.829 118 Q CB 2.043 30.809 28.738 0.047 0.000 1.306 118 Q HN 0.077 nan 8.270 nan 0.000 0.449 119 P HA 0.095 nan 4.420 nan 0.000 0.284 119 P C -0.518 176.808 177.300 0.043 0.000 1.253 119 P CA -0.317 62.794 63.100 0.018 0.000 0.800 119 P CB 0.646 32.348 31.700 0.003 0.000 0.961 120 T N 2.286 116.877 114.554 0.063 0.000 2.819 120 T HA 0.077 4.435 4.350 0.014 0.000 0.282 120 T C 1.280 176.025 174.700 0.076 0.000 1.013 120 T CA 0.884 63.029 62.100 0.075 0.000 1.159 120 T CB -0.286 68.647 68.868 0.109 0.000 1.007 120 T HN 0.583 nan 8.240 nan 0.000 0.514 121 G N 2.810 111.631 108.800 0.034 0.000 2.690 121 G HA2 0.448 4.416 3.960 0.014 0.000 0.239 121 G HA3 0.448 4.416 3.960 0.014 0.000 0.239 121 G C 0.208 175.081 174.900 -0.044 0.000 1.233 121 G CA -0.233 44.860 45.100 -0.012 0.000 0.847 121 G HN 0.974 nan 8.290 nan 0.000 0.588 122 T N -3.315 111.179 114.554 -0.100 0.000 2.868 122 T HA 0.508 4.867 4.350 0.014 0.000 0.306 122 T C -1.056 173.601 174.700 -0.071 0.000 1.224 122 T CA -0.903 61.134 62.100 -0.106 0.000 1.012 122 T CB 1.638 70.444 68.868 -0.104 0.000 1.221 122 T HN 0.847 nan 8.240 nan 0.000 0.499 123 C N 1.722 121.026 119.300 0.007 0.000 2.547 123 C HA 0.884 5.352 4.460 0.014 0.000 0.313 123 C C 0.128 175.208 174.990 0.151 0.000 1.191 123 C CA -0.151 58.913 59.018 0.076 0.000 1.474 123 C CB 0.068 27.801 27.740 -0.012 0.000 2.081 123 C HN 1.283 nan 8.230 nan 0.000 0.476 124 A N 3.747 126.697 122.820 0.217 0.000 2.276 124 A HA 0.763 5.091 4.320 0.014 0.000 0.316 124 A C -0.011 177.548 177.584 -0.041 0.000 1.229 124 A CA -0.120 51.948 52.037 0.051 0.000 0.851 124 A CB 0.642 19.541 19.000 -0.169 0.000 1.165 124 A HN 1.658 nan 8.150 nan 0.000 0.513 125 A N 2.313 125.090 122.820 -0.072 0.000 2.540 125 A HA 0.491 4.820 4.320 0.014 0.000 0.340 125 A C -0.233 177.277 177.584 -0.124 0.000 1.424 125 A CA -0.316 51.674 52.037 -0.079 0.000 0.940 125 A CB -0.569 18.391 19.000 -0.068 0.000 1.149 125 A HN 0.814 nan 8.150 nan 0.000 0.505 126 C N 4.087 123.314 119.300 -0.123 0.000 2.289 126 C HA 0.355 4.823 4.460 0.014 0.000 0.340 126 C C 0.622 175.540 174.990 -0.121 0.000 1.152 126 C CA -0.529 58.391 59.018 -0.162 0.000 1.650 126 C CB -1.891 25.799 27.740 -0.082 0.000 2.203 126 C HN 0.645 nan 8.230 nan 0.000 0.511 127 I N 4.143 124.624 120.570 -0.148 0.000 2.365 127 I HA 0.392 4.571 4.170 0.014 0.000 0.291 127 I C 0.521 176.585 176.117 -0.089 0.000 1.004 127 I CA 0.359 61.599 61.300 -0.100 0.000 1.311 127 I CB 1.047 38.991 38.000 -0.093 0.000 1.401 127 I HN 0.632 nan 8.210 nan 0.000 0.491 128 T N 1.994 116.519 114.554 -0.048 0.000 2.985 128 T HA 0.602 4.961 4.350 0.014 0.000 0.315 128 T C 0.369 175.060 174.700 -0.015 0.000 1.001 128 T CA -0.162 61.922 62.100 -0.026 0.000 1.016 128 T CB 1.343 70.206 68.868 -0.008 0.000 0.993 128 T HN 1.114 nan 8.240 nan 0.000 0.454 129 G N 4.123 112.915 108.800 -0.013 0.000 2.622 129 G HA2 -0.311 3.658 3.960 0.014 0.000 0.307 129 G HA3 -0.311 3.658 3.960 0.014 0.000 0.307 129 G C 0.270 175.161 174.900 -0.014 0.000 1.226 129 G CA 0.576 45.671 45.100 -0.009 0.000 0.997 129 G HN 0.715 nan 8.290 nan 0.000 0.551 130 D N 2.235 122.629 120.400 -0.010 0.000 2.325 130 D HA 0.155 4.803 4.640 0.014 0.000 0.225 130 D C 0.862 177.154 176.300 -0.013 0.000 1.096 130 D CA 0.208 54.200 54.000 -0.013 0.000 0.844 130 D CB -0.318 40.476 40.800 -0.010 0.000 0.925 130 D HN 0.475 nan 8.370 nan 0.000 0.513 131 N N 0.519 119.212 118.700 -0.012 0.000 2.495 131 N HA 0.467 5.215 4.740 0.014 0.000 0.280 131 N C -0.205 175.294 175.510 -0.019 0.000 1.168 131 N CA -0.348 52.697 53.050 -0.010 0.000 0.978 131 N CB 1.340 39.826 38.487 -0.003 0.000 1.191 131 N HN -0.205 nan 8.380 nan 0.000 0.497 132 R N 0.469 120.961 120.500 -0.014 0.000 2.510 132 R HA 0.318 4.666 4.340 0.014 0.000 0.294 132 R C -1.484 174.811 176.300 -0.008 0.000 1.056 132 R CA -0.471 55.616 56.100 -0.021 0.000 0.918 132 R CB 1.811 32.098 30.300 -0.021 0.000 1.187 132 R HN 0.383 nan 8.270 nan 0.000 0.437 133 S N 4.350 120.039 115.700 -0.018 0.000 2.448 133 S HA 0.473 4.952 4.470 0.014 0.000 0.320 133 S C -0.483 174.102 174.600 -0.025 0.000 1.071 133 S CA -0.597 57.597 58.200 -0.010 0.000 1.113 133 S CB 0.350 63.545 63.200 -0.009 0.000 0.972 133 S HN 0.376 nan 8.310 nan 0.000 0.465 134 L N 5.873 127.096 121.223 -0.001 0.000 2.287 134 L HA 0.582 4.931 4.340 0.014 0.000 0.287 134 L C -1.119 175.750 176.870 -0.002 0.000 1.022 134 L CA -0.745 54.095 54.840 0.000 0.000 0.814 134 L CB 1.232 43.309 42.059 0.029 0.000 1.217 134 L HN 0.528 nan 8.230 nan 0.000 0.420 135 I N 3.046 123.605 120.570 -0.018 0.000 2.382 135 I HA 0.487 4.665 4.170 0.014 0.000 0.286 135 I C 0.270 176.468 176.117 0.136 0.000 1.002 135 I CA -0.160 61.134 61.300 -0.010 0.000 1.135 135 I CB 1.873 39.794 38.000 -0.132 0.000 1.288 135 I HN 0.549 nan 8.210 nan 0.000 0.448 136 A N 4.324 127.178 122.820 0.058 0.000 2.274 136 A HA 0.565 4.894 4.320 0.014 0.000 0.309 136 A C -0.100 177.483 177.584 -0.001 0.000 1.226 136 A CA -0.451 51.600 52.037 0.024 0.000 0.853 136 A CB 0.223 19.170 19.000 -0.088 0.000 1.146 136 A HN 0.712 nan 8.150 nan 0.000 0.518 137 N N 2.938 121.561 118.700 -0.128 0.000 2.949 137 N HA 0.305 5.053 4.740 0.014 0.000 0.243 137 N C 0.818 176.233 175.510 -0.158 0.000 1.113 137 N CA -0.384 52.507 53.050 -0.266 0.000 0.980 137 N CB -0.090 37.936 38.487 -0.769 0.000 1.256 137 N HN 0.653 nan 8.380 nan 0.000 0.508 138 L N 1.894 123.072 121.223 -0.074 0.000 2.043 138 L HA -0.243 4.106 4.340 0.014 0.000 0.212 138 L C 1.947 178.811 176.870 -0.010 0.000 1.075 138 L CA 1.219 56.045 54.840 -0.024 0.000 0.752 138 L CB -1.045 41.022 42.059 0.012 0.000 0.891 138 L HN 0.684 nan 8.230 nan 0.000 0.432 139 A N 0.227 123.033 122.820 -0.024 0.000 5.264 139 A HA -0.483 3.845 4.320 0.014 0.000 0.342 139 A C 2.025 179.628 177.584 0.032 0.000 1.706 139 A CA 2.598 54.630 52.037 -0.008 0.000 0.706 139 A CB -1.914 17.068 19.000 -0.030 0.000 1.455 139 A HN 0.463 nan 8.150 nan 0.000 0.402 140 A N -1.369 121.479 122.820 0.046 0.000 1.978 140 A HA 0.190 4.519 4.320 0.014 0.000 0.220 140 A C 2.743 180.398 177.584 0.119 0.000 1.170 140 A CA 3.089 55.175 52.037 0.083 0.000 0.636 140 A CB -1.381 17.669 19.000 0.084 0.000 0.810 140 A HN 2.389 nan 8.150 nan 0.000 0.448 141 A N 0.351 123.238 122.820 0.111 0.000 1.948 141 A HA -0.275 4.054 4.320 0.014 0.000 0.220 141 A C 2.026 179.728 177.584 0.197 0.000 1.177 141 A CA 1.882 54.016 52.037 0.162 0.000 0.636 141 A CB -0.762 18.316 19.000 0.129 0.000 0.815 141 A HN 0.683 nan 8.150 nan 0.000 0.449 142 N N -0.213 118.563 118.700 0.126 0.000 2.459 142 N HA -0.119 4.630 4.740 0.014 0.000 0.181 142 N C 1.370 176.930 175.510 0.085 0.000 1.046 142 N CA 1.366 54.472 53.050 0.095 0.000 0.904 142 N CB -0.309 38.211 38.487 0.055 0.000 0.964 142 N HN 0.537 nan 8.380 nan 0.000 0.444 143 C N 0.103 119.460 119.300 0.097 0.000 2.437 143 C HA -0.019 4.449 4.460 0.014 0.000 0.283 143 C C 1.305 176.287 174.990 -0.012 0.000 1.424 143 C CA -0.612 58.432 59.018 0.044 0.000 1.782 143 C CB -2.094 25.686 27.740 0.066 0.000 1.833 143 C HN 0.378 nan 8.230 nan 0.000 0.532 144 Y N 2.911 123.194 120.300 -0.028 0.000 2.804 144 Y HA 0.073 4.631 4.550 0.013 0.000 0.338 144 Y C 0.428 176.282 175.900 -0.077 0.000 1.252 144 Y CA 0.988 59.062 58.100 -0.043 0.000 1.576 144 Y CB 0.096 38.675 38.460 0.199 0.000 1.223 144 Y HN 0.131 nan 8.280 nan 0.000 0.536 145 K N 7.084 127.197 120.400 -0.477 0.000 2.413 145 K HA 0.108 4.436 4.320 0.014 0.000 0.257 145 K C 0.610 177.005 176.600 -0.343 0.000 0.946 145 K CA -0.688 55.429 56.287 -0.283 0.000 0.823 145 K CB 1.737 34.081 32.500 -0.260 0.000 1.109 145 K HN 0.787 nan 8.250 nan 0.000 0.427 146 K N 2.602 122.956 120.400 -0.077 0.000 2.103 146 K HA -0.195 4.133 4.320 0.014 0.000 0.207 146 K C 1.009 177.584 176.600 -0.041 0.000 1.048 146 K CA 1.726 58.033 56.287 0.034 0.000 0.930 146 K CB 0.197 32.767 32.500 0.118 0.000 0.716 146 K HN 0.547 nan 8.250 nan 0.000 0.444 147 E N 2.385 122.538 120.200 -0.078 0.000 2.268 147 E HA -0.183 4.175 4.350 0.014 0.000 0.195 147 E C 0.819 177.372 176.600 -0.077 0.000 0.995 147 E CA 1.139 57.494 56.400 -0.075 0.000 0.836 147 E CB -0.064 29.595 29.700 -0.068 0.000 0.763 147 E HN 0.719 nan 8.360 nan 0.000 0.491 148 K N -0.850 119.473 120.400 -0.128 0.000 2.399 148 K HA 0.191 4.519 4.320 0.014 0.000 0.204 148 K C 1.165 177.760 176.600 -0.008 0.000 1.023 148 K CA -0.091 56.145 56.287 -0.086 0.000 1.127 148 K CB 0.378 32.806 32.500 -0.121 0.000 0.856 148 K HN 0.103 nan 8.250 nan 0.000 0.514 149 H N -0.199 118.771 119.070 -0.166 0.000 2.859 149 H HA 0.018 4.582 4.556 0.013 0.000 0.125 149 H C 1.290 176.632 175.328 0.025 0.000 1.201 149 H CA 0.072 56.063 56.048 -0.096 0.000 1.150 149 H CB 0.060 29.670 29.762 -0.254 0.000 0.781 149 H HN 0.093 nan 8.280 nan 0.000 0.238 150 L N 2.490 123.922 121.223 0.347 0.000 2.137 150 L HA -0.129 4.219 4.340 0.014 0.000 0.213 150 L C 1.049 178.112 176.870 0.322 0.000 1.085 150 L CA 2.356 57.520 54.840 0.540 0.000 0.760 150 L CB -0.438 42.003 42.059 0.637 0.000 0.893 150 L HN 0.310 nan 8.230 nan 0.000 0.434 151 D N -0.871 119.589 120.400 0.100 0.000 2.354 151 D HA 0.120 4.769 4.640 0.014 0.000 0.209 151 D C 0.688 176.983 176.300 -0.009 0.000 1.015 151 D CA 0.149 54.132 54.000 -0.028 0.000 0.867 151 D CB 0.044 40.782 40.800 -0.103 0.000 0.933 151 D HN 0.293 nan 8.370 nan 0.000 0.520 152 L N 1.844 123.063 121.223 -0.008 0.000 2.410 152 L HA 0.049 4.398 4.340 0.014 0.000 0.273 152 L C 1.974 178.857 176.870 0.021 0.000 1.144 152 L CA -0.092 54.728 54.840 -0.033 0.000 0.863 152 L CB 0.996 42.993 42.059 -0.103 0.000 1.140 152 L HN -0.024 nan 8.230 nan 0.000 0.463 153 E N 4.332 124.550 120.200 0.031 0.000 2.086 153 E HA -0.322 4.037 4.350 0.014 0.000 0.205 153 E C 1.809 178.440 176.600 0.051 0.000 1.027 153 E CA 2.611 59.054 56.400 0.073 0.000 0.830 153 E CB 0.111 29.839 29.700 0.047 0.000 0.751 153 E HN 0.759 nan 8.360 nan 0.000 0.456 154 K N 0.299 120.693 120.400 -0.010 0.000 2.059 154 K HA -0.232 4.097 4.320 0.014 0.000 0.212 154 K C 1.806 178.363 176.600 -0.071 0.000 1.050 154 K CA 2.223 58.482 56.287 -0.047 0.000 0.927 154 K CB -0.640 31.814 32.500 -0.075 0.000 0.714 154 K HN 0.254 nan 8.250 nan 0.000 0.447 155 N N 0.034 118.673 118.700 -0.101 0.000 2.135 155 N HA -0.141 4.607 4.740 0.014 0.000 0.186 155 N C 1.639 177.288 175.510 0.232 0.000 1.027 155 N CA 1.035 54.053 53.050 -0.053 0.000 0.849 155 N CB -0.307 37.935 38.487 -0.409 0.000 1.002 155 N HN 0.337 nan 8.380 nan 0.000 0.425 156 W N 2.271 123.583 121.300 0.020 0.000 2.392 156 W HA -0.089 4.579 4.660 0.014 0.000 0.279 156 W C 1.912 178.381 176.519 -0.083 0.000 1.225 156 W CA 0.716 58.046 57.345 -0.026 0.000 1.233 156 W CB -0.127 29.298 29.460 -0.058 0.000 1.122 156 W HN 0.133 nan 8.180 nan 0.000 0.561 157 M N 0.813 120.375 119.600 -0.064 0.000 2.080 157 M HA -0.273 4.215 4.480 0.014 0.000 0.260 157 M C 2.090 178.272 176.300 -0.197 0.000 1.068 157 M CA 2.113 57.339 55.300 -0.123 0.000 1.109 157 M CB -0.588 31.998 32.600 -0.024 0.000 1.342 157 M HN -0.061 nan 8.290 nan 0.000 0.405 158 L N -0.983 120.168 121.223 -0.121 0.000 2.201 158 L HA -0.148 4.201 4.340 0.014 0.000 0.212 158 L C 2.209 178.909 176.870 -0.283 0.000 1.105 158 L CA 0.481 55.267 54.840 -0.090 0.000 0.775 158 L CB -0.874 41.236 42.059 0.085 0.000 0.913 158 L HN 0.196 nan 8.230 nan 0.000 0.440 159 V N -0.251 119.292 119.914 -0.617 0.000 2.427 159 V HA -0.215 3.913 4.120 0.014 0.000 0.248 159 V C 2.354 177.943 176.094 -0.841 0.000 1.051 159 V CA 1.571 63.212 62.300 -1.099 0.000 1.048 159 V CB -0.519 30.251 31.823 -1.755 0.000 0.666 159 V HN 0.468 nan 8.190 nan 0.000 0.456 160 E N 0.245 119.975 120.200 -0.784 0.000 2.338 160 E HA -0.180 4.178 4.350 0.014 0.000 0.197 160 E C 2.059 178.564 176.600 -0.158 0.000 1.007 160 E CA 0.727 56.873 56.400 -0.423 0.000 0.849 160 E CB -0.087 29.412 29.700 -0.336 0.000 0.774 160 E HN 0.637 nan 8.360 nan 0.000 0.506 161 K N 0.781 121.086 120.400 -0.158 0.000 2.243 161 K HA 0.098 4.427 4.320 0.014 0.000 0.201 161 K C 0.972 177.557 176.600 -0.026 0.000 1.051 161 K CA 0.215 56.466 56.287 -0.060 0.000 0.970 161 K CB 0.200 32.678 32.500 -0.035 0.000 0.755 161 K HN -0.059 nan 8.250 nan 0.000 0.465 162 A N 1.735 124.533 122.820 -0.038 0.000 2.511 162 A HA 0.028 4.356 4.320 0.014 0.000 0.242 162 A C 0.836 178.445 177.584 0.042 0.000 1.069 162 A CA -0.027 52.026 52.037 0.026 0.000 0.763 162 A CB 0.398 19.444 19.000 0.077 0.000 1.001 162 A HN 0.115 nan 8.150 nan 0.000 0.498 163 R N 1.133 121.663 120.500 0.050 0.000 2.128 163 R HA 0.128 4.476 4.340 0.014 0.000 0.211 163 R C -0.018 176.325 176.300 0.073 0.000 1.067 163 R CA 0.866 56.996 56.100 0.050 0.000 1.010 163 R CB -0.323 29.997 30.300 0.035 0.000 0.922 163 R HN 0.539 nan 8.270 nan 0.000 0.457 164 V N 0.818 120.782 119.914 0.082 0.000 2.604 164 V HA 0.327 4.455 4.120 0.014 0.000 0.305 164 V C -0.268 175.902 176.094 0.127 0.000 1.043 164 V CA -0.876 61.483 62.300 0.098 0.000 0.888 164 V CB 2.337 34.209 31.823 0.081 0.000 0.995 164 V HN 0.121 nan 8.190 nan 0.000 0.429 165 C N 4.211 123.586 119.300 0.126 0.000 2.507 165 C HA 0.729 5.198 4.460 0.014 0.000 0.319 165 C C -0.794 174.176 174.990 -0.033 0.000 1.208 165 C CA -0.851 58.255 59.018 0.146 0.000 1.619 165 C CB 1.074 28.988 27.740 0.290 0.000 2.230 165 C HN 0.847 nan 8.230 nan 0.000 0.492 166 Y N 3.051 123.244 120.300 -0.179 0.000 2.386 166 Y HA 0.787 5.344 4.550 0.013 0.000 0.334 166 Y C -1.030 174.745 175.900 -0.208 0.000 1.002 166 Y CA -1.283 56.672 58.100 -0.241 0.000 1.068 166 Y CB 0.718 39.084 38.460 -0.156 0.000 1.203 166 Y HN 0.657 nan 8.280 nan 0.000 0.443 167 I N 5.850 125.893 120.570 -0.878 0.000 2.478 167 I HA 0.600 4.779 4.170 0.014 0.000 0.287 167 I C -0.236 175.471 176.117 -0.682 0.000 1.042 167 I CA -1.270 59.651 61.300 -0.631 0.000 1.067 167 I CB 1.818 39.762 38.000 -0.093 0.000 1.233 167 I HN 0.820 nan 8.210 nan 0.000 0.431 168 A N 3.714 126.184 122.820 -0.583 0.000 2.462 168 A HA 0.418 4.746 4.320 0.014 0.000 0.243 168 A C 1.425 178.945 177.584 -0.107 0.000 1.076 168 A CA 0.335 52.195 52.037 -0.295 0.000 0.773 168 A CB 0.314 19.277 19.000 -0.061 0.000 1.010 168 A HN 1.027 nan 8.150 nan 0.000 0.493 169 G N 0.337 109.041 108.800 -0.159 0.000 2.586 169 G HA2 -0.110 3.858 3.960 0.014 0.000 0.215 169 G HA3 -0.110 3.858 3.960 0.014 0.000 0.215 169 G C 0.969 175.827 174.900 -0.071 0.000 1.128 169 G CA 0.705 45.740 45.100 -0.108 0.000 0.774 169 G HN 0.705 nan 8.290 nan 0.000 0.543 170 F N -0.829 119.110 119.950 -0.019 0.000 2.186 170 F HA 0.059 4.594 4.527 0.014 0.000 0.299 170 F C 2.083 177.938 175.800 0.092 0.000 1.090 170 F CA 0.206 58.213 58.000 0.012 0.000 1.307 170 F CB -0.097 38.943 39.000 0.067 0.000 1.019 170 F HN 0.171 nan 8.300 nan 0.000 0.489 171 F N 0.771 120.797 119.950 0.128 0.000 2.546 171 F HA -0.068 4.469 4.527 0.016 0.000 0.298 171 F C 1.715 177.539 175.800 0.040 0.000 1.120 171 F CA 0.756 58.792 58.000 0.061 0.000 1.456 171 F CB -0.530 38.479 39.000 0.015 0.000 1.088 171 F HN -0.129 nan 8.300 nan 0.000 0.572 172 L N -0.454 120.802 121.223 0.055 0.000 2.201 172 L HA -0.183 4.165 4.340 0.014 0.000 0.212 172 L C 2.438 179.235 176.870 -0.121 0.000 1.105 172 L CA 1.651 56.475 54.840 -0.026 0.000 0.775 172 L CB -1.219 40.869 42.059 0.048 0.000 0.913 172 L HN 0.238 nan 8.230 nan 0.000 0.440 173 T N -4.188 110.215 114.554 -0.250 0.000 3.118 173 T HA 0.011 4.370 4.350 0.014 0.000 0.260 173 T C 1.482 176.119 174.700 -0.105 0.000 1.139 173 T CA 0.564 62.454 62.100 -0.350 0.000 1.085 173 T CB 0.105 68.670 68.868 -0.504 0.000 0.934 173 T HN 0.093 nan 8.240 nan 0.000 0.518 174 V N 0.093 119.887 119.914 -0.200 0.000 2.721 174 V HA 0.380 4.508 4.120 0.014 0.000 0.236 174 V C 1.243 177.153 176.094 -0.306 0.000 1.116 174 V CA 0.697 62.852 62.300 -0.240 0.000 1.148 174 V CB 0.622 32.260 31.823 -0.309 0.000 0.886 174 V HN 0.534 nan 8.190 nan 0.000 0.490 175 S N 0.410 115.762 115.700 -0.580 0.000 2.293 175 S HA 0.359 4.838 4.470 0.014 0.000 0.154 175 S C -2.092 172.372 174.600 -0.228 0.000 1.602 175 S CA -1.038 56.948 58.200 -0.356 0.000 1.260 175 S CB 1.228 64.263 63.200 -0.276 0.000 1.270 175 S HN 0.154 nan 8.310 nan 0.000 0.416 176 P HA -0.091 nan 4.420 nan 0.000 0.216 176 P C 1.025 178.340 177.300 0.025 0.000 1.150 176 P CA 1.209 64.308 63.100 -0.001 0.000 0.837 176 P CB 0.176 31.901 31.700 0.043 0.000 0.786 177 E N -0.444 119.765 120.200 0.016 0.000 2.085 177 E HA -0.145 4.214 4.350 0.014 0.000 0.194 177 E C 2.148 178.788 176.600 0.066 0.000 0.994 177 E CA 1.649 58.065 56.400 0.026 0.000 0.801 177 E CB -0.981 28.727 29.700 0.014 0.000 0.743 177 E HN 0.197 nan 8.360 nan 0.000 0.453 178 S N -0.146 115.631 115.700 0.129 0.000 2.345 178 S HA -0.119 4.359 4.470 0.014 0.000 0.220 178 S C 2.174 176.933 174.600 0.265 0.000 1.031 178 S CA 1.031 59.389 58.200 0.263 0.000 0.996 178 S CB -0.357 63.122 63.200 0.466 0.000 0.882 178 S HN 0.055 nan 8.310 nan 0.000 0.445 179 V N 2.394 122.462 119.914 0.257 0.000 2.278 179 V HA -0.229 3.900 4.120 0.014 0.000 0.251 179 V C 2.225 178.361 176.094 0.071 0.000 1.062 179 V CA 1.708 64.164 62.300 0.260 0.000 1.038 179 V CB -0.763 31.206 31.823 0.244 0.000 0.646 179 V HN 0.397 nan 8.190 nan 0.000 0.447 180 L N -0.434 120.796 121.223 0.011 0.000 2.046 180 L HA -0.223 4.126 4.340 0.014 0.000 0.208 180 L C 2.618 179.413 176.870 -0.124 0.000 1.077 180 L CA 2.088 56.863 54.840 -0.110 0.000 0.747 180 L CB -0.550 41.482 42.059 -0.046 0.000 0.896 180 L HN 0.333 nan 8.230 nan 0.000 0.432 181 K N -0.147 120.246 120.400 -0.011 0.000 2.057 181 K HA -0.161 4.167 4.320 0.014 0.000 0.207 181 K C 1.959 178.665 176.600 0.176 0.000 1.049 181 K CA 1.435 57.733 56.287 0.017 0.000 0.931 181 K CB 0.042 32.528 32.500 -0.025 0.000 0.714 181 K HN 0.081 nan 8.250 nan 0.000 0.440 182 V N 1.190 121.240 119.914 0.227 0.000 2.307 182 V HA -0.215 3.913 4.120 0.014 0.000 0.245 182 V C 2.455 178.627 176.094 0.130 0.000 1.045 182 V CA 1.981 64.460 62.300 0.300 0.000 1.024 182 V CB -0.654 31.397 31.823 0.379 0.000 0.651 182 V HN 0.509 nan 8.190 nan 0.000 0.449 183 A N -0.943 121.687 122.820 -0.317 0.000 1.902 183 A HA -0.285 4.043 4.320 0.014 0.000 0.217 183 A C 2.249 179.474 177.584 -0.599 0.000 1.181 183 A CA 1.888 53.392 52.037 -0.888 0.000 0.623 183 A CB -0.937 17.162 19.000 -1.502 0.000 0.818 183 A HN 0.678 nan 8.150 nan 0.000 0.443 184 H N -0.919 117.712 119.070 -0.732 0.000 2.353 184 H HA -0.252 4.312 4.556 0.014 0.000 0.298 184 H C 2.025 177.334 175.328 -0.032 0.000 1.103 184 H CA 2.399 58.176 56.048 -0.452 0.000 1.293 184 H CB -0.330 29.259 29.762 -0.288 0.000 1.372 184 H HN 0.772 nan 8.280 nan 0.000 0.501 185 H N 0.221 119.357 119.070 0.110 0.000 2.389 185 H HA -0.008 4.557 4.556 0.015 0.000 0.299 185 H C 2.217 177.600 175.328 0.091 0.000 1.081 185 H CA 1.883 58.045 56.048 0.191 0.000 1.345 185 H CB -0.191 29.782 29.762 0.351 0.000 1.393 185 H HN 0.393 nan 8.280 nan 0.000 0.520 186 A N -0.393 122.469 122.820 0.070 0.000 1.845 186 A HA -0.187 4.142 4.320 0.014 0.000 0.215 186 A C 2.630 180.208 177.584 -0.010 0.000 1.195 186 A CA 1.784 53.859 52.037 0.063 0.000 0.616 186 A CB -1.345 17.805 19.000 0.250 0.000 0.832 186 A HN 0.492 nan 8.150 nan 0.000 0.443 187 S N -0.564 115.144 115.700 0.013 0.000 2.365 187 S HA -0.226 4.253 4.470 0.014 0.000 0.221 187 S C 1.862 176.418 174.600 -0.075 0.000 1.037 187 S CA 1.697 59.900 58.200 0.005 0.000 1.060 187 S CB -0.499 62.755 63.200 0.089 0.000 0.974 187 S HN 0.618 nan 8.310 nan 0.000 0.427 188 E N 0.490 120.603 120.200 -0.145 0.000 2.352 188 E HA -0.160 4.199 4.350 0.014 0.000 0.203 188 E C 0.576 177.117 176.600 -0.098 0.000 1.024 188 E CA 0.873 57.209 56.400 -0.107 0.000 0.842 188 E CB -0.200 29.465 29.700 -0.059 0.000 0.753 188 E HN 0.495 nan 8.360 nan 0.000 0.508 189 N N -0.032 118.581 118.700 -0.146 0.000 2.184 189 N HA -0.004 4.745 4.740 0.014 0.000 0.234 189 N C -0.480 174.983 175.510 -0.079 0.000 1.282 189 N CA -0.068 52.902 53.050 -0.133 0.000 0.877 189 N CB 0.713 39.048 38.487 -0.252 0.000 1.184 189 N HN 0.011 nan 8.380 nan 0.000 0.510 190 N N 1.294 119.963 118.700 -0.051 0.000 2.725 190 N HA -0.183 4.565 4.740 0.014 0.000 0.251 190 N C -0.663 174.850 175.510 0.006 0.000 1.031 190 N CA 0.563 53.605 53.050 -0.012 0.000 0.720 190 N CB -0.509 37.973 38.487 -0.008 0.000 0.930 190 N HN 0.205 nan 8.380 nan 0.000 0.543 191 R N -0.077 120.434 120.500 0.018 0.000 2.607 191 R HA 0.663 5.011 4.340 0.014 0.000 0.261 191 R C 0.186 176.550 176.300 0.107 0.000 1.051 191 R CA -0.634 55.500 56.100 0.057 0.000 1.110 191 R CB 0.635 30.978 30.300 0.072 0.000 1.158 191 R HN 0.264 nan 8.270 nan 0.000 0.543 192 I N 1.229 121.870 120.570 0.119 0.000 2.342 192 I HA 0.253 4.432 4.170 0.014 0.000 0.291 192 I C -0.615 175.619 176.117 0.196 0.000 1.010 192 I CA -0.120 61.263 61.300 0.139 0.000 1.308 192 I CB 0.702 38.763 38.000 0.101 0.000 1.400 192 I HN 0.307 nan 8.210 nan 0.000 0.488 193 F N 6.243 126.259 119.950 0.111 0.000 2.449 193 F HA 0.544 5.080 4.527 0.015 0.000 0.342 193 F C 0.151 176.034 175.800 0.138 0.000 1.127 193 F CA -0.319 57.766 58.000 0.141 0.000 0.975 193 F CB 1.290 40.376 39.000 0.144 0.000 1.146 193 F HN 0.494 nan 8.300 nan 0.000 0.444 194 T N 4.665 118.953 114.554 -0.445 0.000 2.885 194 T HA 0.789 5.148 4.350 0.014 0.000 0.285 194 T C -1.350 173.255 174.700 -0.158 0.000 1.019 194 T CA -0.760 61.278 62.100 -0.103 0.000 1.010 194 T CB 1.989 71.012 68.868 0.258 0.000 1.022 194 T HN 0.705 nan 8.240 nan 0.000 0.466 195 L N 1.608 122.913 121.223 0.137 0.000 2.415 195 L HA 0.695 5.043 4.340 0.014 0.000 0.256 195 L C -1.399 175.645 176.870 0.290 0.000 1.010 195 L CA -0.689 54.229 54.840 0.130 0.000 0.826 195 L CB 2.488 44.659 42.059 0.187 0.000 1.405 195 L HN 0.827 nan 8.230 nan 0.000 0.410 196 N N 1.918 120.707 118.700 0.150 0.000 2.269 196 N HA 0.399 5.147 4.740 0.014 0.000 0.304 196 N C 0.406 175.880 175.510 -0.059 0.000 1.072 196 N CA -0.460 52.676 53.050 0.143 0.000 0.802 196 N CB 2.102 40.673 38.487 0.140 0.000 1.348 196 N HN 0.745 nan 8.380 nan 0.000 0.484 197 L N 1.668 122.844 121.223 -0.079 0.000 2.201 197 L HA -0.136 4.213 4.340 0.014 0.000 0.212 197 L C 1.278 177.938 176.870 -0.350 0.000 1.105 197 L CA 0.625 55.355 54.840 -0.185 0.000 0.775 197 L CB -0.269 41.697 42.059 -0.156 0.000 0.913 197 L HN 0.678 nan 8.230 nan 0.000 0.440 198 S N -1.320 114.132 115.700 -0.414 0.000 1.706 198 S HA -0.290 4.189 4.470 0.014 0.000 0.229 198 S C 0.425 174.576 174.600 -0.749 0.000 0.861 198 S CA 1.494 59.193 58.200 -0.836 0.000 1.488 198 S CB -0.862 61.396 63.200 -1.570 0.000 1.943 198 S HN 0.738 nan 8.310 nan 0.000 0.533 199 A N -0.619 121.839 122.820 -0.603 0.000 2.590 199 A HA 0.655 4.984 4.320 0.014 0.000 0.294 199 A C -2.734 174.648 177.584 -0.336 0.000 1.046 199 A CA -0.559 51.252 52.037 -0.377 0.000 0.684 199 A CB 0.428 19.215 19.000 -0.355 0.000 1.279 199 A HN 0.015 nan 8.150 nan 0.000 0.415 200 P HA -0.171 nan 4.420 nan 0.000 0.216 200 P C 1.452 178.691 177.300 -0.102 0.000 1.154 200 P CA 2.313 65.357 63.100 -0.094 0.000 0.865 200 P CB -0.228 31.463 31.700 -0.014 0.000 0.789 201 F N -1.226 118.712 119.950 -0.019 0.000 2.192 201 F HA -0.187 4.348 4.527 0.013 0.000 0.301 201 F C 1.728 177.579 175.800 0.084 0.000 1.079 201 F CA 1.170 59.150 58.000 -0.033 0.000 1.303 201 F CB -1.699 37.441 39.000 0.234 0.000 1.024 201 F HN -0.173 nan 8.300 nan 0.000 0.494 202 I N 0.652 121.070 120.570 -0.252 0.000 2.286 202 I HA -0.218 3.960 4.170 0.014 0.000 0.248 202 I C 2.545 178.722 176.117 0.099 0.000 1.115 202 I CA 1.239 62.541 61.300 0.003 0.000 1.392 202 I CB -1.714 36.116 38.000 -0.284 0.000 1.065 202 I HN 0.285 nan 8.210 nan 0.000 0.418 203 S N 0.199 115.889 115.700 -0.016 0.000 2.371 203 S HA -0.139 4.340 4.470 0.014 0.000 0.224 203 S C 1.860 176.416 174.600 -0.074 0.000 1.029 203 S CA 0.930 59.143 58.200 0.022 0.000 0.978 203 S CB -0.005 63.216 63.200 0.035 0.000 0.833 203 S HN 0.509 nan 8.310 nan 0.000 0.466 204 Q N 0.157 119.815 119.800 -0.236 0.000 1.916 204 Q HA -0.036 4.312 4.340 0.014 0.000 0.203 204 Q C 1.296 177.120 176.000 -0.294 0.000 0.983 204 Q CA 1.425 56.949 55.803 -0.466 0.000 0.846 204 Q CB -0.346 27.747 28.738 -1.076 0.000 0.909 204 Q HN 0.574 nan 8.270 nan 0.000 0.427 205 F N -1.915 118.080 119.950 0.076 0.000 2.765 205 F HA 0.148 4.683 4.527 0.014 0.000 0.302 205 F C 0.347 175.825 175.800 -0.537 0.000 1.111 205 F CA -0.050 57.846 58.000 -0.174 0.000 1.359 205 F CB 0.116 38.999 39.000 -0.194 0.000 1.097 205 F HN 0.055 nan 8.300 nan 0.000 0.577 206 Y N -0.085 120.355 120.300 0.233 0.000 2.721 206 Y HA 0.219 4.778 4.550 0.015 0.000 0.251 206 Y C 1.431 177.405 175.900 0.124 0.000 1.136 206 Y CA -1.137 57.073 58.100 0.182 0.000 1.142 206 Y CB -0.252 38.324 38.460 0.194 0.000 1.212 206 Y HN -0.015 nan 8.280 nan 0.000 0.565 207 K N 0.271 120.761 120.400 0.148 0.000 2.147 207 K HA -0.214 4.115 4.320 0.014 0.000 0.205 207 K C 1.618 178.292 176.600 0.123 0.000 1.049 207 K CA 1.740 58.101 56.287 0.123 0.000 0.936 207 K CB 0.068 32.595 32.500 0.045 0.000 0.722 207 K HN 0.390 nan 8.250 nan 0.000 0.446 208 E N 1.547 121.811 120.200 0.107 0.000 2.033 208 E HA -0.202 4.156 4.350 0.014 0.000 0.199 208 E C 1.921 178.596 176.600 0.126 0.000 1.011 208 E CA 1.956 58.416 56.400 0.100 0.000 0.815 208 E CB 0.035 29.784 29.700 0.081 0.000 0.755 208 E HN 0.291 nan 8.360 nan 0.000 0.451 209 S N 0.745 116.540 115.700 0.158 0.000 2.370 209 S HA -0.183 4.295 4.470 0.014 0.000 0.226 209 S C 1.861 176.560 174.600 0.164 0.000 1.033 209 S CA 1.061 59.358 58.200 0.162 0.000 1.011 209 S CB -0.383 62.934 63.200 0.195 0.000 0.852 209 S HN 0.263 nan 8.310 nan 0.000 0.457 210 L N 1.519 122.853 121.223 0.184 0.000 2.042 210 L HA 0.008 4.356 4.340 0.014 0.000 0.210 210 L C 1.958 178.941 176.870 0.188 0.000 1.076 210 L CA 1.877 56.827 54.840 0.184 0.000 0.749 210 L CB -0.637 41.547 42.059 0.208 0.000 0.893 210 L HN 0.231 nan 8.230 nan 0.000 0.432 211 M N -1.201 118.506 119.600 0.178 0.000 2.506 211 M HA -0.065 4.424 4.480 0.014 0.000 0.260 211 M C 2.072 178.455 176.300 0.138 0.000 1.104 211 M CA 0.928 56.327 55.300 0.165 0.000 1.112 211 M CB -0.802 31.879 32.600 0.134 0.000 1.401 211 M HN 0.297 nan 8.290 nan 0.000 0.473 212 K N 0.130 120.614 120.400 0.139 0.000 2.243 212 K HA 0.013 4.342 4.320 0.014 0.000 0.201 212 K C 1.728 178.443 176.600 0.191 0.000 1.051 212 K CA 0.553 56.925 56.287 0.141 0.000 0.970 212 K CB 0.514 33.089 32.500 0.125 0.000 0.755 212 K HN 0.090 nan 8.250 nan 0.000 0.465 213 V N 0.789 120.815 119.914 0.187 0.000 2.825 213 V HA -0.131 3.998 4.120 0.014 0.000 0.246 213 V C 2.023 178.252 176.094 0.225 0.000 1.068 213 V CA 0.698 63.125 62.300 0.212 0.000 1.088 213 V CB 0.002 31.920 31.823 0.159 0.000 0.733 213 V HN 0.310 nan 8.190 nan 0.000 0.468 214 M N 1.370 121.078 119.600 0.181 0.000 2.108 214 M HA -0.145 4.343 4.480 0.014 0.000 0.257 214 M C -0.687 175.675 176.300 0.103 0.000 1.071 214 M CA 2.394 57.787 55.300 0.155 0.000 1.093 214 M CB -1.477 31.227 32.600 0.174 0.000 1.345 214 M HN 0.186 nan 8.290 nan 0.000 0.403 215 P HA -0.092 nan 4.420 nan 0.000 0.236 215 P C 0.213 177.384 177.300 -0.214 0.000 1.172 215 P CA 1.283 64.308 63.100 -0.125 0.000 0.759 215 P CB -0.308 31.245 31.700 -0.244 0.000 0.843 216 Y N -2.451 117.847 120.300 -0.003 0.000 2.442 216 Y HA 0.112 4.671 4.550 0.015 0.000 0.250 216 Y C 1.011 176.956 175.900 0.074 0.000 1.113 216 Y CA -0.262 57.809 58.100 -0.049 0.000 1.273 216 Y CB 0.256 38.579 38.460 -0.227 0.000 1.138 216 Y HN -0.377 nan 8.280 nan 0.000 0.522 217 V N 2.699 122.779 119.914 0.277 0.000 2.446 217 V HA -0.076 4.052 4.120 0.014 0.000 0.276 217 V C 0.454 176.651 176.094 0.171 0.000 1.030 217 V CA 0.355 62.855 62.300 0.332 0.000 1.033 217 V CB 0.587 32.553 31.823 0.237 0.000 0.993 217 V HN 0.363 nan 8.190 nan 0.000 0.477 218 D N 4.117 124.624 120.400 0.180 0.000 2.240 218 D HA 0.167 4.816 4.640 0.014 0.000 0.206 218 D C 0.456 176.742 176.300 -0.023 0.000 0.963 218 D CA 1.170 55.216 54.000 0.075 0.000 0.863 218 D CB 0.789 41.647 40.800 0.097 0.000 0.973 218 D HN 0.417 nan 8.370 nan 0.000 0.501 219 I N 1.511 122.032 120.570 -0.082 0.000 2.512 219 I HA 0.202 4.381 4.170 0.014 0.000 0.287 219 I C -1.137 174.720 176.117 -0.433 0.000 1.069 219 I CA -0.873 60.236 61.300 -0.318 0.000 1.056 219 I CB 2.672 40.398 38.000 -0.456 0.000 1.229 219 I HN -0.210 nan 8.210 nan 0.000 0.429 220 L N 7.041 127.988 121.223 -0.460 0.000 2.307 220 L HA 0.638 4.986 4.340 0.014 0.000 0.284 220 L C -1.205 175.336 176.870 -0.548 0.000 1.023 220 L CA 0.214 54.827 54.840 -0.377 0.000 0.810 220 L CB 1.030 42.959 42.059 -0.216 0.000 1.231 220 L HN 0.270 nan 8.230 nan 0.000 0.423 221 F N 2.888 122.777 119.950 -0.103 0.000 2.518 221 F HA 0.937 5.474 4.527 0.016 0.000 0.338 221 F C 0.934 176.764 175.800 0.050 0.000 1.065 221 F CA 0.037 57.990 58.000 -0.077 0.000 1.012 221 F CB 1.944 40.907 39.000 -0.060 0.000 1.297 221 F HN 0.646 nan 8.300 nan 0.000 0.489 222 G N 0.363 109.371 108.800 0.346 0.000 2.339 222 G HA2 0.203 4.172 3.960 0.014 0.000 0.302 222 G HA3 0.203 4.172 3.960 0.014 0.000 0.302 222 G C -2.240 172.767 174.900 0.178 0.000 1.425 222 G CA -1.172 44.062 45.100 0.223 0.000 0.899 222 G HN 0.954 nan 8.290 nan 0.000 0.619 223 N N -1.411 117.285 118.700 -0.007 0.000 2.530 223 N HA 0.527 5.276 4.740 0.014 0.000 0.283 223 N C 1.008 176.406 175.510 -0.185 0.000 1.238 223 N CA 0.068 53.084 53.050 -0.058 0.000 0.971 223 N CB 1.601 40.055 38.487 -0.055 0.000 1.195 223 N HN 0.463 nan 8.380 nan 0.000 0.583 224 E N -0.668 119.447 120.200 -0.142 0.000 2.110 224 E HA -0.217 4.141 4.350 0.014 0.000 0.193 224 E C 1.771 178.264 176.600 -0.179 0.000 0.988 224 E CA 2.292 58.582 56.400 -0.182 0.000 0.804 224 E CB -0.985 28.661 29.700 -0.090 0.000 0.745 224 E HN 0.807 nan 8.360 nan 0.000 0.458 225 T N -1.528 112.953 114.554 -0.122 0.000 2.951 225 T HA -0.036 4.322 4.350 0.014 0.000 0.268 225 T C 1.669 176.297 174.700 -0.121 0.000 1.073 225 T CA 1.072 63.115 62.100 -0.096 0.000 1.134 225 T CB -0.180 68.656 68.868 -0.054 0.000 0.884 225 T HN 0.195 nan 8.240 nan 0.000 0.479 226 E N 1.549 121.655 120.200 -0.158 0.000 2.046 226 E HA 0.171 4.530 4.350 0.014 0.000 0.190 226 E C 2.643 179.119 176.600 -0.208 0.000 0.982 226 E CA 0.903 57.203 56.400 -0.167 0.000 0.800 226 E CB -0.358 29.238 29.700 -0.173 0.000 0.756 226 E HN 0.617 nan 8.360 nan 0.000 0.449 227 A N 1.560 124.127 122.820 -0.422 0.000 1.877 227 A HA -0.147 4.181 4.320 0.014 0.000 0.216 227 A C 2.408 179.863 177.584 -0.215 0.000 1.186 227 A CA 1.771 53.463 52.037 -0.575 0.000 0.620 227 A CB -0.875 17.293 19.000 -1.385 0.000 0.822 227 A HN 0.292 nan 8.150 nan 0.000 0.443 228 A N -0.913 121.787 122.820 -0.200 0.000 1.873 228 A HA -0.168 4.160 4.320 0.014 0.000 0.218 228 A C 2.328 179.859 177.584 -0.088 0.000 1.193 228 A CA 2.559 54.532 52.037 -0.107 0.000 0.629 228 A CB -1.484 17.461 19.000 -0.092 0.000 0.826 228 A HN 0.441 nan 8.150 nan 0.000 0.447 229 T N -1.012 113.491 114.554 -0.086 0.000 2.788 229 T HA -0.124 4.234 4.350 0.014 0.000 0.268 229 T C 1.585 176.226 174.700 -0.100 0.000 1.044 229 T CA 1.519 63.568 62.100 -0.085 0.000 1.139 229 T CB -0.386 68.434 68.868 -0.079 0.000 0.867 229 T HN 0.455 nan 8.240 nan 0.000 0.454 230 F N 2.354 122.175 119.950 -0.215 0.000 2.075 230 F HA -0.036 4.499 4.527 0.015 0.000 0.297 230 F C 2.485 178.042 175.800 -0.405 0.000 1.113 230 F CA 1.007 58.857 58.000 -0.251 0.000 1.218 230 F CB -0.836 38.046 39.000 -0.196 0.000 0.984 230 F HN 0.148 nan 8.300 nan 0.000 0.472 231 A N 0.448 123.043 122.820 -0.376 0.000 1.958 231 A HA -0.287 4.042 4.320 0.014 0.000 0.221 231 A C 2.430 179.776 177.584 -0.397 0.000 1.178 231 A CA 2.133 53.875 52.037 -0.491 0.000 0.642 231 A CB -0.914 18.063 19.000 -0.039 0.000 0.816 231 A HN 0.533 nan 8.150 nan 0.000 0.453 232 R N -0.848 119.494 120.500 -0.262 0.000 2.080 232 R HA -0.049 4.300 4.340 0.014 0.000 0.222 232 R C 1.590 177.757 176.300 -0.222 0.000 1.107 232 R CA 1.086 57.077 56.100 -0.181 0.000 0.980 232 R CB -0.143 30.088 30.300 -0.115 0.000 0.879 232 R HN 0.443 nan 8.270 nan 0.000 0.439 233 E N 0.314 120.342 120.200 -0.286 0.000 2.274 233 E HA -0.132 4.227 4.350 0.014 0.000 0.194 233 E C 1.352 177.749 176.600 -0.338 0.000 0.996 233 E CA 0.708 56.949 56.400 -0.264 0.000 0.840 233 E CB 0.226 29.783 29.700 -0.238 0.000 0.772 233 E HN 0.261 nan 8.360 nan 0.000 0.491 234 Q N -0.515 118.953 119.800 -0.553 0.000 2.282 234 Q HA 0.163 4.511 4.340 0.014 0.000 0.206 234 Q C 0.574 176.400 176.000 -0.290 0.000 0.878 234 Q CA 0.298 55.759 55.803 -0.570 0.000 0.944 234 Q CB 0.582 28.603 28.738 -1.195 0.000 1.100 234 Q HN 0.330 nan 8.270 nan 0.000 0.509 235 G N 1.243 109.914 108.800 -0.216 0.000 2.323 235 G HA2 -0.272 3.697 3.960 0.014 0.000 0.292 235 G HA3 -0.272 3.697 3.960 0.014 0.000 0.292 235 G C 0.415 175.390 174.900 0.124 0.000 1.040 235 G CA 0.362 45.435 45.100 -0.045 0.000 0.942 235 G HN 0.296 nan 8.290 nan 0.000 0.506 236 F N 0.281 120.188 119.950 -0.072 0.000 2.234 236 F HA 0.090 4.626 4.527 0.014 0.000 0.299 236 F C 1.688 177.477 175.800 -0.019 0.000 1.087 236 F CA 1.016 58.995 58.000 -0.035 0.000 1.340 236 F CB -0.442 38.549 39.000 -0.015 0.000 1.031 236 F HN 0.628 nan 8.300 nan 0.000 0.500 237 E N 0.277 120.574 120.200 0.162 0.000 2.313 237 E HA -0.201 4.158 4.350 0.014 0.000 0.190 237 E C -0.065 176.590 176.600 0.092 0.000 1.406 237 E CA 0.649 57.102 56.400 0.088 0.000 0.668 237 E CB -1.817 27.921 29.700 0.064 0.000 1.135 237 E HN 0.192 nan 8.360 nan 0.000 0.375 238 T N -0.729 113.886 114.554 0.101 0.000 3.802 238 T HA 0.154 4.512 4.350 0.014 0.000 0.397 238 T C -0.104 174.647 174.700 0.084 0.000 1.404 238 T CA -0.703 61.450 62.100 0.090 0.000 1.151 238 T CB 1.040 69.969 68.868 0.103 0.000 1.329 238 T HN 0.164 nan 8.240 nan 0.000 0.474 239 K N 1.690 122.122 120.400 0.053 0.000 2.393 239 K HA 0.106 4.435 4.320 0.014 0.000 0.193 239 K C 0.030 176.654 176.600 0.040 0.000 1.026 239 K CA -0.199 56.110 56.287 0.035 0.000 1.064 239 K CB 0.276 32.788 32.500 0.020 0.000 0.833 239 K HN 0.454 nan 8.250 nan 0.000 0.521 240 D N 1.991 122.425 120.400 0.056 0.000 2.344 240 D HA 0.016 4.665 4.640 0.014 0.000 0.253 240 D C 1.035 177.387 176.300 0.087 0.000 1.255 240 D CA -0.037 53.999 54.000 0.060 0.000 0.894 240 D CB 0.412 41.245 40.800 0.054 0.000 1.067 240 D HN 0.013 nan 8.370 nan 0.000 0.492 241 I N 4.239 124.856 120.570 0.078 0.000 2.074 241 I HA -0.400 3.778 4.170 0.014 0.000 0.238 241 I C 1.891 178.126 176.117 0.197 0.000 1.037 241 I CA 1.552 62.922 61.300 0.117 0.000 1.301 241 I CB 0.135 38.188 38.000 0.089 0.000 1.016 241 I HN 0.445 nan 8.210 nan 0.000 0.400 242 K N -0.204 120.284 120.400 0.146 0.000 2.152 242 K HA -0.277 4.051 4.320 0.014 0.000 0.206 242 K C 1.967 178.636 176.600 0.114 0.000 1.048 242 K CA 1.827 58.192 56.287 0.129 0.000 0.933 242 K CB -0.204 32.344 32.500 0.080 0.000 0.721 242 K HN 0.379 nan 8.250 nan 0.000 0.447 243 E N 1.184 121.446 120.200 0.103 0.000 2.158 243 E HA -0.042 4.317 4.350 0.014 0.000 0.191 243 E C 1.690 178.356 176.600 0.110 0.000 0.982 243 E CA 0.692 57.136 56.400 0.074 0.000 0.823 243 E CB -0.008 29.725 29.700 0.054 0.000 0.766 243 E HN 0.212 nan 8.360 nan 0.000 0.468 244 I N 0.316 121.014 120.570 0.215 0.000 2.353 244 I HA -0.169 4.010 4.170 0.014 0.000 0.248 244 I C 2.251 178.643 176.117 0.458 0.000 1.119 244 I CA 1.021 62.556 61.300 0.391 0.000 1.417 244 I CB -0.230 38.008 38.000 0.398 0.000 1.078 244 I HN 0.171 nan 8.210 nan 0.000 0.421 245 A N 0.921 123.990 122.820 0.415 0.000 1.930 245 A HA -0.251 4.077 4.320 0.014 0.000 0.217 245 A C 2.355 179.989 177.584 0.083 0.000 1.175 245 A CA 2.001 54.185 52.037 0.245 0.000 0.627 245 A CB -0.495 18.584 19.000 0.132 0.000 0.815 245 A HN 0.440 nan 8.150 nan 0.000 0.443 246 K N 0.108 120.552 120.400 0.072 0.000 2.031 246 K HA -0.129 4.200 4.320 0.014 0.000 0.205 246 K C 1.834 178.412 176.600 -0.036 0.000 1.049 246 K CA 1.664 57.956 56.287 0.008 0.000 0.939 246 K CB -0.229 32.272 32.500 0.000 0.000 0.717 246 K HN 0.372 nan 8.250 nan 0.000 0.438 247 K N 0.144 120.483 120.400 -0.102 0.000 2.097 247 K HA -0.058 4.270 4.320 0.014 0.000 0.206 247 K C 2.096 178.610 176.600 -0.144 0.000 1.049 247 K CA 1.889 57.992 56.287 -0.307 0.000 0.933 247 K CB -0.164 31.821 32.500 -0.859 0.000 0.717 247 K HN 0.193 nan 8.250 nan 0.000 0.442 248 T N 1.383 116.020 114.554 0.138 0.000 2.821 248 T HA -0.182 4.177 4.350 0.014 0.000 0.267 248 T C 1.840 176.621 174.700 0.135 0.000 1.046 248 T CA 1.681 63.986 62.100 0.342 0.000 1.139 248 T CB -0.175 68.958 68.868 0.442 0.000 0.871 248 T HN 0.325 nan 8.240 nan 0.000 0.454 249 Q N 1.543 121.366 119.800 0.038 0.000 2.436 249 Q HA 0.222 4.571 4.340 0.014 0.000 0.209 249 Q C 1.737 177.736 176.000 -0.001 0.000 0.965 249 Q CA 1.296 57.093 55.803 -0.009 0.000 0.910 249 Q CB -0.382 28.330 28.738 -0.044 0.000 0.980 249 Q HN 0.437 nan 8.270 nan 0.000 0.491 250 A N 0.042 122.862 122.820 -0.000 0.000 2.267 250 A HA 0.309 4.637 4.320 0.014 0.000 0.213 250 A C 0.449 178.039 177.584 0.010 0.000 1.192 250 A CA -0.432 51.599 52.037 -0.011 0.000 0.851 250 A CB -0.112 18.864 19.000 -0.040 0.000 0.881 250 A HN 0.360 nan 8.150 nan 0.000 0.494 251 L N 0.996 122.251 121.223 0.052 0.000 2.536 251 L HA 0.059 4.407 4.340 0.014 0.000 0.294 251 L C -1.985 174.911 176.870 0.044 0.000 1.257 251 L CA -1.213 53.677 54.840 0.084 0.000 0.850 251 L CB -0.203 41.959 42.059 0.172 0.000 1.105 251 L HN 0.096 nan 8.230 nan 0.000 0.517 252 P HA -0.008 nan 4.420 nan 0.000 0.262 252 P C -0.903 176.388 177.300 -0.016 0.000 1.182 252 P CA 0.401 63.503 63.100 0.003 0.000 0.761 252 P CB 0.356 32.057 31.700 0.002 0.000 0.795 253 K N 3.358 123.736 120.400 -0.036 0.000 2.358 253 K HA 0.268 4.597 4.320 0.014 0.000 0.260 253 K C 1.154 177.687 176.600 -0.112 0.000 0.956 253 K CA -0.654 55.594 56.287 -0.064 0.000 0.834 253 K CB 0.736 33.216 32.500 -0.033 0.000 1.102 253 K HN 0.121 nan 8.250 nan 0.000 0.431 254 M N 2.982 122.453 119.600 -0.215 0.000 2.088 254 M HA -0.183 4.306 4.480 0.014 0.000 0.256 254 M C 0.402 176.612 176.300 -0.149 0.000 1.071 254 M CA 1.808 56.947 55.300 -0.268 0.000 1.097 254 M CB -0.302 31.925 32.600 -0.622 0.000 1.315 254 M HN 0.569 nan 8.290 nan 0.000 0.406 255 N N -0.171 118.468 118.700 -0.102 0.000 2.500 255 N HA 0.120 4.869 4.740 0.014 0.000 0.236 255 N C 0.508 176.001 175.510 -0.028 0.000 1.022 255 N CA 0.517 53.541 53.050 -0.044 0.000 0.935 255 N CB 0.670 39.153 38.487 -0.006 0.000 1.147 255 N HN 0.309 nan 8.380 nan 0.000 0.512 256 S N 3.429 119.113 115.700 -0.027 0.000 2.507 256 S HA -0.062 4.416 4.470 0.014 0.000 0.235 256 S C 1.165 175.759 174.600 -0.010 0.000 0.988 256 S CA 0.805 58.994 58.200 -0.018 0.000 0.944 256 S CB -0.140 63.050 63.200 -0.018 0.000 0.762 256 S HN 0.594 nan 8.310 nan 0.000 0.526 257 K N 0.367 120.763 120.400 -0.006 0.000 2.296 257 K HA 0.139 4.468 4.320 0.014 0.000 0.200 257 K C 0.507 177.109 176.600 0.003 0.000 1.048 257 K CA 0.522 56.808 56.287 -0.001 0.000 0.966 257 K CB 0.109 32.609 32.500 -0.001 0.000 0.754 257 K HN 0.401 nan 8.250 nan 0.000 0.466 258 R N 0.708 121.212 120.500 0.006 0.000 2.670 258 R HA 0.227 4.576 4.340 0.014 0.000 0.289 258 R C -0.871 175.432 176.300 0.006 0.000 0.965 258 R CA -0.822 55.285 56.100 0.011 0.000 0.899 258 R CB 1.693 32.008 30.300 0.024 0.000 1.173 258 R HN -0.154 nan 8.270 nan 0.000 0.456 259 Q N 2.164 121.965 119.800 0.003 0.000 2.241 259 Q HA 0.242 4.591 4.340 0.014 0.000 0.254 259 Q C -0.388 175.607 176.000 -0.009 0.000 0.917 259 Q CA -0.523 55.278 55.803 -0.004 0.000 0.919 259 Q CB 1.229 29.965 28.738 -0.004 0.000 1.237 259 Q HN 0.406 nan 8.270 nan 0.000 0.434 260 R N 2.489 122.980 120.500 -0.015 0.000 2.862 260 R HA 0.163 4.512 4.340 0.014 0.000 0.267 260 R C -0.532 175.734 176.300 -0.056 0.000 0.995 260 R CA 0.590 56.671 56.100 -0.032 0.000 1.140 260 R CB 0.316 30.597 30.300 -0.033 0.000 1.031 260 R HN 0.731 nan 8.270 nan 0.000 0.459 261 I N 2.009 122.516 120.570 -0.105 0.000 2.607 261 I HA 0.265 4.443 4.170 0.014 0.000 0.290 261 I C -1.157 174.796 176.117 -0.274 0.000 1.129 261 I CA -1.019 60.192 61.300 -0.148 0.000 1.042 261 I CB 2.304 40.234 38.000 -0.116 0.000 1.242 261 I HN 0.253 nan 8.210 nan 0.000 0.421 262 V N 6.856 126.584 119.914 -0.311 0.000 2.531 262 V HA 0.544 4.673 4.120 0.014 0.000 0.301 262 V C -0.350 175.397 176.094 -0.578 0.000 1.034 262 V CA -0.388 61.602 62.300 -0.517 0.000 0.865 262 V CB 2.386 33.895 31.823 -0.524 0.000 0.995 262 V HN 0.494 nan 8.190 nan 0.000 0.424 263 I N 5.072 125.242 120.570 -0.667 0.000 2.499 263 I HA 0.549 4.728 4.170 0.014 0.000 0.288 263 I C -1.499 174.443 176.117 -0.292 0.000 1.048 263 I CA -0.326 60.742 61.300 -0.387 0.000 1.062 263 I CB 2.154 40.020 38.000 -0.223 0.000 1.238 263 I HN 0.399 nan 8.210 nan 0.000 0.426 264 F N 3.438 123.364 119.950 -0.040 0.000 2.499 264 F HA 0.379 4.914 4.527 0.014 0.000 0.333 264 F C 0.564 176.306 175.800 -0.097 0.000 1.138 264 F CA -1.183 56.785 58.000 -0.054 0.000 0.945 264 F CB 2.038 41.027 39.000 -0.018 0.000 1.181 264 F HN 0.318 nan 8.300 nan 0.000 0.435 265 T N 0.007 114.588 114.554 0.044 0.000 2.913 265 T HA 0.467 4.826 4.350 0.014 0.000 0.287 265 T C -0.023 174.662 174.700 -0.025 0.000 1.008 265 T CA -0.623 61.413 62.100 -0.108 0.000 1.067 265 T CB 1.704 70.404 68.868 -0.280 0.000 0.996 265 T HN 0.656 nan 8.240 nan 0.000 0.513 266 Q N 0.793 120.582 119.800 -0.018 0.000 2.139 266 Q HA 0.348 4.696 4.340 0.014 0.000 0.301 266 Q C 1.151 177.149 176.000 -0.003 0.000 0.874 266 Q CA -0.252 55.550 55.803 -0.001 0.000 1.116 266 Q CB 0.681 29.435 28.738 0.026 0.000 1.278 266 Q HN 1.203 nan 8.270 nan 0.000 0.426 267 G N 2.375 111.167 108.800 -0.014 0.000 2.675 267 G HA2 -0.429 3.539 3.960 0.014 0.000 0.312 267 G HA3 -0.429 3.539 3.960 0.014 0.000 0.312 267 G C 0.701 175.603 174.900 0.005 0.000 1.186 267 G CA 0.552 45.649 45.100 -0.006 0.000 0.965 267 G HN 0.433 nan 8.290 nan 0.000 0.548 268 R N 1.225 121.727 120.500 0.003 0.000 2.290 268 R HA 0.243 4.591 4.340 0.014 0.000 0.197 268 R C 0.030 176.333 176.300 0.004 0.000 0.913 268 R CA 0.250 56.351 56.100 0.002 0.000 1.040 268 R CB 0.139 30.439 30.300 -0.001 0.000 0.992 268 R HN 0.427 nan 8.270 nan 0.000 0.500 269 D N 1.565 121.972 120.400 0.011 0.000 2.354 269 D HA 0.049 4.698 4.640 0.014 0.000 0.247 269 D C -0.198 176.127 176.300 0.041 0.000 1.138 269 D CA -0.046 53.967 54.000 0.020 0.000 0.958 269 D CB 0.616 41.429 40.800 0.021 0.000 1.144 269 D HN -0.067 nan 8.370 nan 0.000 0.458 270 D N 0.209 120.642 120.400 0.055 0.000 2.478 270 D HA -0.016 4.633 4.640 0.014 0.000 0.234 270 D C -0.008 176.379 176.300 0.146 0.000 1.154 270 D CA 0.664 54.726 54.000 0.103 0.000 0.874 270 D CB 0.246 41.099 40.800 0.089 0.000 1.198 270 D HN 0.054 nan 8.370 nan 0.000 0.455 271 T N 2.333 117.034 114.554 0.244 0.000 2.761 271 T HA 0.263 4.622 4.350 0.014 0.000 0.296 271 T C 0.475 175.340 174.700 0.276 0.000 0.934 271 T CA -0.512 61.715 62.100 0.212 0.000 1.091 271 T CB 0.295 69.298 68.868 0.224 0.000 0.896 271 T HN 0.090 nan 8.240 nan 0.000 0.515 272 I N 3.793 124.488 120.570 0.209 0.000 2.395 272 I HA 0.391 4.570 4.170 0.014 0.000 0.289 272 I C 0.187 176.391 176.117 0.146 0.000 1.023 272 I CA -0.307 61.118 61.300 0.208 0.000 1.350 272 I CB 1.025 39.148 38.000 0.206 0.000 1.409 272 I HN 0.526 nan 8.210 nan 0.000 0.507 273 M N 5.792 125.510 119.600 0.197 0.000 2.259 273 M HA 0.767 5.256 4.480 0.014 0.000 0.304 273 M C -1.485 174.858 176.300 0.071 0.000 1.019 273 M CA -0.614 54.753 55.300 0.112 0.000 0.922 273 M CB 1.690 34.433 32.600 0.238 0.000 1.600 273 M HN 0.663 nan 8.290 nan 0.000 0.433 274 A N 3.207 126.007 122.820 -0.034 0.000 2.318 274 A HA 0.810 5.139 4.320 0.014 0.000 0.317 274 A C -0.264 177.300 177.584 -0.033 0.000 1.159 274 A CA -0.439 51.583 52.037 -0.025 0.000 0.799 274 A CB 1.113 20.080 19.000 -0.055 0.000 1.194 274 A HN 0.859 nan 8.150 nan 0.000 0.479 275 T N -1.545 113.009 114.554 -0.001 0.000 2.762 275 T HA 0.434 4.793 4.350 0.014 0.000 0.272 275 T C 0.879 175.576 174.700 -0.005 0.000 0.982 275 T CA 0.049 62.147 62.100 -0.003 0.000 1.013 275 T CB 1.084 69.964 68.868 0.020 0.000 1.309 275 T HN 0.580 nan 8.240 nan 0.000 0.572 276 E N 0.231 120.428 120.200 -0.004 0.000 2.110 276 E HA -0.136 4.222 4.350 0.014 0.000 0.193 276 E C 1.927 178.525 176.600 -0.002 0.000 0.988 276 E CA 1.530 57.927 56.400 -0.005 0.000 0.804 276 E CB -0.202 29.496 29.700 -0.004 0.000 0.745 276 E HN 0.642 nan 8.360 nan 0.000 0.458 277 S N 0.062 115.764 115.700 0.004 0.000 2.335 277 S HA -0.031 4.448 4.470 0.014 0.000 0.217 277 S C 0.965 175.569 174.600 0.006 0.000 1.032 277 S CA 0.954 59.157 58.200 0.005 0.000 0.985 277 S CB 0.057 63.264 63.200 0.011 0.000 0.896 277 S HN 0.273 nan 8.310 nan 0.000 0.445 278 E N -1.173 119.034 120.200 0.012 0.000 2.233 278 E HA 0.588 4.947 4.350 0.014 0.000 0.223 278 E C -1.764 174.847 176.600 0.019 0.000 1.048 278 E CA -0.614 55.792 56.400 0.011 0.000 0.883 278 E CB 1.651 31.357 29.700 0.009 0.000 1.925 278 E HN -0.092 nan 8.360 nan 0.000 0.460 279 V N 0.931 120.857 119.914 0.020 0.000 2.686 279 V HA 0.507 4.636 4.120 0.014 0.000 0.306 279 V C -1.021 175.087 176.094 0.024 0.000 1.065 279 V CA -0.310 62.009 62.300 0.033 0.000 0.894 279 V CB 2.020 33.861 31.823 0.031 0.000 1.004 279 V HN 0.644 nan 8.190 nan 0.000 0.424 280 T N 3.384 117.967 114.554 0.048 0.000 2.903 280 T HA 0.789 5.147 4.350 0.014 0.000 0.299 280 T C -0.439 174.232 174.700 -0.048 0.000 1.093 280 T CA -0.288 61.779 62.100 -0.054 0.000 1.002 280 T CB 1.979 70.749 68.868 -0.164 0.000 1.127 280 T HN 0.926 nan 8.240 nan 0.000 0.488 281 A N 1.786 124.492 122.820 -0.191 0.000 2.306 281 A HA 0.919 5.248 4.320 0.014 0.000 0.330 281 A C -1.375 176.033 177.584 -0.293 0.000 1.146 281 A CA -0.557 51.439 52.037 -0.068 0.000 0.827 281 A CB 0.483 19.466 19.000 -0.027 0.000 1.178 281 A HN 0.706 nan 8.150 nan 0.000 0.490 282 F N 0.538 120.563 119.950 0.124 0.000 2.557 282 F HA 0.560 5.096 4.527 0.015 0.000 0.316 282 F C 0.621 176.495 175.800 0.122 0.000 1.141 282 F CA -0.380 57.719 58.000 0.166 0.000 0.922 282 F CB 2.024 41.203 39.000 0.297 0.000 1.194 282 F HN 0.737 nan 8.300 nan 0.000 0.443 283 A N 2.778 125.697 122.820 0.165 0.000 2.440 283 A HA 0.561 4.890 4.320 0.014 0.000 0.251 283 A C -0.255 177.220 177.584 -0.181 0.000 1.089 283 A CA -0.466 51.582 52.037 0.019 0.000 0.779 283 A CB 0.160 19.163 19.000 0.006 0.000 1.022 283 A HN 0.567 nan 8.150 nan 0.000 0.492 284 V N 4.040 123.807 119.914 -0.244 0.000 2.614 284 V HA 0.056 4.184 4.120 0.014 0.000 0.291 284 V C 0.900 176.870 176.094 -0.207 0.000 1.049 284 V CA -0.389 61.662 62.300 -0.415 0.000 1.038 284 V CB 0.501 32.215 31.823 -0.182 0.000 0.980 284 V HN 0.746 nan 8.190 nan 0.000 0.481 285 L N 3.833 124.950 121.223 -0.177 0.000 2.615 285 L HA -0.037 4.312 4.340 0.014 0.000 0.284 285 L C 1.055 177.920 176.870 -0.008 0.000 1.237 285 L CA 0.303 55.128 54.840 -0.025 0.000 0.905 285 L CB -0.007 42.089 42.059 0.063 0.000 1.149 285 L HN 0.706 nan 8.230 nan 0.000 0.499 286 D N 4.359 124.762 120.400 0.004 0.000 2.821 286 D HA -0.081 4.568 4.640 0.014 0.000 0.224 286 D C 0.867 177.177 176.300 0.016 0.000 1.071 286 D CA 0.320 54.325 54.000 0.007 0.000 1.182 286 D CB 0.161 40.967 40.800 0.010 0.000 1.161 286 D HN 0.564 nan 8.370 nan 0.000 0.449 287 Q N -0.069 119.741 119.800 0.016 0.000 2.294 287 Q HA 0.055 4.404 4.340 0.014 0.000 0.256 287 Q C -0.021 175.984 176.000 0.008 0.000 0.907 287 Q CA -0.382 55.432 55.803 0.017 0.000 0.954 287 Q CB 0.169 28.919 28.738 0.019 0.000 1.102 287 Q HN 0.118 nan 8.270 nan 0.000 0.429 288 D N 2.509 122.913 120.400 0.007 0.000 2.300 288 D HA -0.205 4.444 4.640 0.014 0.000 0.235 288 D C 0.969 177.270 176.300 0.003 0.000 1.338 288 D CA 1.145 55.147 54.000 0.004 0.000 0.903 288 D CB 0.311 41.113 40.800 0.004 0.000 1.180 288 D HN 0.558 nan 8.370 nan 0.000 0.485 289 Q N -1.620 118.180 119.800 0.001 0.000 2.284 289 Q HA -0.379 3.970 4.340 0.014 0.000 0.205 289 Q C 0.752 176.750 176.000 -0.003 0.000 0.682 289 Q CA 2.065 57.868 55.803 0.000 0.000 1.401 289 Q CB -1.562 27.177 28.738 0.002 0.000 1.643 289 Q HN 0.412 nan 8.270 nan 0.000 0.717 290 K N 1.958 122.355 120.400 -0.005 0.000 2.280 290 K HA -0.121 4.207 4.320 0.014 0.000 0.202 290 K C 1.156 177.748 176.600 -0.013 0.000 1.047 290 K CA 1.817 58.098 56.287 -0.010 0.000 0.942 290 K CB -0.460 32.033 32.500 -0.011 0.000 0.739 290 K HN 0.816 nan 8.250 nan 0.000 0.457 291 E N 0.624 120.818 120.200 -0.010 0.000 3.964 291 E HA -0.366 3.992 4.350 0.014 0.000 0.257 291 E C 0.287 176.877 176.600 -0.016 0.000 1.307 291 E CA 2.197 58.590 56.400 -0.011 0.000 2.046 291 E CB -1.851 27.844 29.700 -0.008 0.000 1.811 291 E HN 0.382 nan 8.360 nan 0.000 0.270 292 I N 3.639 124.197 120.570 -0.019 0.000 2.532 292 I HA 0.118 4.297 4.170 0.014 0.000 0.302 292 I C 0.189 176.285 176.117 -0.035 0.000 1.176 292 I CA 0.230 61.514 61.300 -0.026 0.000 1.975 292 I CB -1.250 36.734 38.000 -0.027 0.000 1.536 292 I HN 0.183 nan 8.210 nan 0.000 0.919 293 I N -0.531 120.020 120.570 -0.032 0.000 2.404 293 I HA 0.463 4.641 4.170 0.014 0.000 0.293 293 I C -0.262 175.832 176.117 -0.039 0.000 0.992 293 I CA -0.934 60.343 61.300 -0.038 0.000 1.149 293 I CB 1.709 39.691 38.000 -0.029 0.000 1.315 293 I HN 0.015 nan 8.210 nan 0.000 0.446 294 D N 4.362 124.731 120.400 -0.051 0.000 2.336 294 D HA 0.140 4.788 4.640 0.014 0.000 0.249 294 D C 0.927 177.207 176.300 -0.033 0.000 1.213 294 D CA 0.023 53.995 54.000 -0.047 0.000 0.870 294 D CB 1.451 42.210 40.800 -0.069 0.000 1.076 294 D HN 0.646 nan 8.370 nan 0.000 0.483 295 T N 2.980 117.522 114.554 -0.020 0.000 2.915 295 T HA -0.092 4.266 4.350 0.014 0.000 0.269 295 T C 1.401 176.098 174.700 -0.006 0.000 1.071 295 T CA 0.996 63.089 62.100 -0.012 0.000 1.132 295 T CB -0.048 68.815 68.868 -0.008 0.000 0.878 295 T HN 0.480 nan 8.240 nan 0.000 0.479 296 N N 0.670 119.369 118.700 -0.000 0.000 2.207 296 N HA 0.057 4.806 4.740 0.014 0.000 0.182 296 N C 2.162 177.675 175.510 0.004 0.000 1.020 296 N CA 0.792 53.853 53.050 0.017 0.000 0.858 296 N CB -0.249 38.262 38.487 0.040 0.000 0.991 296 N HN 0.352 nan 8.380 nan 0.000 0.427 297 G N 0.250 109.036 108.800 -0.023 0.000 2.471 297 G HA2 -0.095 3.874 3.960 0.014 0.000 0.219 297 G HA3 -0.095 3.874 3.960 0.014 0.000 0.219 297 G C 1.464 176.337 174.900 -0.045 0.000 1.125 297 G CA 0.724 45.795 45.100 -0.049 0.000 0.775 297 G HN 0.374 nan 8.290 nan 0.000 0.548 298 A N 0.827 123.632 122.820 -0.026 0.000 1.930 298 A HA 0.285 4.613 4.320 0.014 0.000 0.215 298 A C 2.620 180.225 177.584 0.035 0.000 1.176 298 A CA 1.720 53.756 52.037 -0.002 0.000 0.632 298 A CB -0.826 18.177 19.000 0.004 0.000 0.819 298 A HN 0.409 nan 8.150 nan 0.000 0.445 299 G N 0.396 109.206 108.800 0.017 0.000 2.480 299 G HA2 -0.288 3.681 3.960 0.014 0.000 0.216 299 G HA3 -0.288 3.681 3.960 0.014 0.000 0.216 299 G C 1.105 176.020 174.900 0.025 0.000 1.200 299 G CA 1.266 46.379 45.100 0.021 0.000 0.782 299 G HN 0.433 nan 8.290 nan 0.000 0.554 300 D N 1.032 121.431 120.400 -0.003 0.000 2.158 300 D HA -0.090 4.558 4.640 0.014 0.000 0.197 300 D C 2.744 178.996 176.300 -0.081 0.000 0.995 300 D CA 1.393 55.369 54.000 -0.039 0.000 0.846 300 D CB -0.484 40.299 40.800 -0.028 0.000 0.941 300 D HN 0.336 nan 8.370 nan 0.000 0.456 301 A N 0.043 122.829 122.820 -0.055 0.000 1.968 301 A HA -0.095 4.234 4.320 0.014 0.000 0.217 301 A C 2.051 179.605 177.584 -0.050 0.000 1.169 301 A CA 0.672 52.663 52.037 -0.075 0.000 0.638 301 A CB -0.851 18.097 19.000 -0.087 0.000 0.812 301 A HN 0.257 nan 8.150 nan 0.000 0.446 302 F N 0.763 120.639 119.950 -0.124 0.000 2.134 302 F HA -0.161 4.374 4.527 0.014 0.000 0.299 302 F C 2.134 177.828 175.800 -0.176 0.000 1.097 302 F CA 2.000 59.934 58.000 -0.110 0.000 1.264 302 F CB -0.264 38.683 39.000 -0.088 0.000 1.001 302 F HN 0.030 nan 8.300 nan 0.000 0.479 303 V N 0.715 120.481 119.914 -0.247 0.000 2.261 303 V HA -0.256 3.873 4.120 0.014 0.000 0.246 303 V C 2.830 178.598 176.094 -0.543 0.000 1.047 303 V CA 2.043 63.942 62.300 -0.669 0.000 1.015 303 V CB -1.729 29.538 31.823 -0.926 0.000 0.642 303 V HN 0.554 nan 8.190 nan 0.000 0.446 304 G N 0.002 108.582 108.800 -0.367 0.000 2.469 304 G HA2 -0.231 3.737 3.960 0.014 0.000 0.219 304 G HA3 -0.231 3.737 3.960 0.014 0.000 0.219 304 G C 1.615 176.412 174.900 -0.172 0.000 1.150 304 G CA 1.177 46.136 45.100 -0.235 0.000 0.763 304 G HN 0.611 nan 8.290 nan 0.000 0.561 305 G N 0.223 108.911 108.800 -0.187 0.000 2.421 305 G HA2 -0.180 3.788 3.960 0.014 0.000 0.216 305 G HA3 -0.180 3.788 3.960 0.014 0.000 0.216 305 G C 1.640 176.406 174.900 -0.223 0.000 1.171 305 G CA 0.934 45.941 45.100 -0.156 0.000 0.775 305 G HN 0.341 nan 8.290 nan 0.000 0.543 306 F N 1.368 120.991 119.950 -0.544 0.000 2.126 306 F HA 0.013 4.548 4.527 0.013 0.000 0.299 306 F C 2.478 178.122 175.800 -0.261 0.000 1.096 306 F CA 1.094 58.821 58.000 -0.454 0.000 1.255 306 F CB -0.279 38.398 39.000 -0.539 0.000 0.997 306 F HN 0.035 nan 8.300 nan 0.000 0.479 307 L N -0.098 121.155 121.223 0.050 0.000 2.046 307 L HA -0.257 4.091 4.340 0.014 0.000 0.208 307 L C 2.787 179.631 176.870 -0.044 0.000 1.077 307 L CA 1.581 56.430 54.840 0.015 0.000 0.747 307 L CB -1.166 40.811 42.059 -0.137 0.000 0.896 307 L HN 0.340 nan 8.230 nan 0.000 0.432 308 S N -0.640 115.011 115.700 -0.081 0.000 2.387 308 S HA -0.246 4.232 4.470 0.014 0.000 0.230 308 S C 1.872 176.413 174.600 -0.099 0.000 1.035 308 S CA 1.167 59.322 58.200 -0.075 0.000 1.014 308 S CB -0.240 62.925 63.200 -0.058 0.000 0.836 308 S HN 0.448 nan 8.310 nan 0.000 0.466 309 Q N 0.385 120.092 119.800 -0.155 0.000 2.297 309 Q HA 0.320 4.668 4.340 0.014 0.000 0.203 309 Q C 2.276 178.175 176.000 -0.168 0.000 0.931 309 Q CA 0.273 55.968 55.803 -0.180 0.000 0.885 309 Q CB -0.655 27.930 28.738 -0.255 0.000 0.991 309 Q HN 0.480 nan 8.270 nan 0.000 0.498 310 L N 0.550 121.673 121.223 -0.167 0.000 2.079 310 L HA -0.129 4.219 4.340 0.014 0.000 0.210 310 L C 2.086 178.939 176.870 -0.030 0.000 1.081 310 L CA 1.149 55.940 54.840 -0.083 0.000 0.752 310 L CB -0.293 41.822 42.059 0.093 0.000 0.896 310 L HN 0.048 nan 8.230 nan 0.000 0.433 311 V N 0.000 119.899 119.914 -0.024 0.000 2.759 311 V HA -0.171 3.957 4.120 0.014 0.000 0.256 311 V C 2.131 178.212 176.094 -0.021 0.000 1.080 311 V CA 1.699 63.994 62.300 -0.008 0.000 1.101 311 V CB -0.083 31.736 31.823 -0.006 0.000 0.698 311 V HN 0.702 nan 8.190 nan 0.000 0.477 312 S N -2.285 113.389 115.700 -0.044 0.000 2.575 312 S HA 0.159 4.637 4.470 0.014 0.000 0.237 312 S C 0.503 175.073 174.600 -0.049 0.000 0.975 312 S CA 0.125 58.298 58.200 -0.045 0.000 0.960 312 S CB 0.201 63.369 63.200 -0.053 0.000 0.822 312 S HN 0.557 nan 8.310 nan 0.000 0.472 313 D N 1.014 121.385 120.400 -0.048 0.000 3.076 313 D HA -0.104 4.544 4.640 0.014 0.000 0.218 313 D C -0.402 175.858 176.300 -0.067 0.000 1.156 313 D CA 0.782 54.754 54.000 -0.047 0.000 0.921 313 D CB -0.737 40.045 40.800 -0.030 0.000 1.113 313 D HN 0.448 nan 8.370 nan 0.000 0.418 314 K N 0.590 120.931 120.400 -0.098 0.000 2.336 314 K HA 0.187 4.516 4.320 0.014 0.000 0.262 314 K C -2.042 174.483 176.600 -0.125 0.000 0.992 314 K CA -0.766 55.452 56.287 -0.115 0.000 0.927 314 K CB -0.289 32.122 32.500 -0.148 0.000 0.956 314 K HN 0.100 nan 8.250 nan 0.000 0.495 315 P HA 0.062 nan 4.420 nan 0.000 0.269 315 P C 0.943 178.150 177.300 -0.155 0.000 1.209 315 P CA -0.042 63.003 63.100 -0.091 0.000 0.776 315 P CB 0.385 32.053 31.700 -0.054 0.000 0.876 316 L N 1.005 122.151 121.223 -0.129 0.000 2.081 316 L HA -0.224 4.124 4.340 0.014 0.000 0.212 316 L C 2.182 178.904 176.870 -0.247 0.000 1.080 316 L CA 1.914 56.638 54.840 -0.192 0.000 0.754 316 L CB -1.459 40.579 42.059 -0.034 0.000 0.893 316 L HN 0.416 nan 8.230 nan 0.000 0.433 317 T N -1.149 113.333 114.554 -0.120 0.000 2.803 317 T HA -0.229 4.129 4.350 0.014 0.000 0.269 317 T C 1.812 176.429 174.700 -0.139 0.000 1.052 317 T CA 1.652 63.705 62.100 -0.078 0.000 1.136 317 T CB -0.121 68.791 68.868 0.074 0.000 0.864 317 T HN 0.263 nan 8.240 nan 0.000 0.467 318 E N 0.003 120.101 120.200 -0.170 0.000 2.122 318 E HA -0.010 4.349 4.350 0.014 0.000 0.190 318 E C 2.214 178.637 176.600 -0.296 0.000 0.977 318 E CA 0.549 56.839 56.400 -0.183 0.000 0.820 318 E CB -0.490 29.116 29.700 -0.157 0.000 0.770 318 E HN 0.491 nan 8.360 nan 0.000 0.462 319 C N 0.396 119.403 119.300 -0.488 0.000 2.432 319 C HA -0.043 4.425 4.460 0.014 0.000 0.277 319 C C 2.504 177.073 174.990 -0.701 0.000 1.249 319 C CA 0.434 58.951 59.018 -0.834 0.000 1.725 319 C CB -0.941 25.765 27.740 -1.723 0.000 2.028 319 C HN 0.454 nan 8.230 nan 0.000 0.477 320 I N 0.501 120.764 120.570 -0.511 0.000 2.226 320 I HA -0.218 3.960 4.170 0.014 0.000 0.245 320 I C 2.889 178.867 176.117 -0.232 0.000 1.100 320 I CA 1.488 62.624 61.300 -0.273 0.000 1.374 320 I CB -0.766 36.995 38.000 -0.398 0.000 1.057 320 I HN 0.391 nan 8.210 nan 0.000 0.413 321 R N 1.004 121.427 120.500 -0.128 0.000 2.083 321 R HA -0.198 4.150 4.340 0.014 0.000 0.237 321 R C 2.407 178.737 176.300 0.049 0.000 1.137 321 R CA 1.872 57.997 56.100 0.042 0.000 0.951 321 R CB -0.243 30.068 30.300 0.018 0.000 0.851 321 R HN 0.372 nan 8.270 nan 0.000 0.434 322 A N -0.165 122.613 122.820 -0.071 0.000 1.969 322 A HA -0.054 4.274 4.320 0.014 0.000 0.218 322 A C 2.255 179.820 177.584 -0.032 0.000 1.169 322 A CA 1.612 53.650 52.037 0.002 0.000 0.635 322 A CB -0.930 18.015 19.000 -0.092 0.000 0.810 322 A HN 0.576 nan 8.150 nan 0.000 0.445 323 G N -1.277 107.332 108.800 -0.319 0.000 2.418 323 G HA2 -0.243 3.726 3.960 0.014 0.000 0.217 323 G HA3 -0.243 3.726 3.960 0.014 0.000 0.217 323 G C 1.513 176.399 174.900 -0.023 0.000 1.158 323 G CA 1.083 45.765 45.100 -0.697 0.000 0.771 323 G HN 0.615 nan 8.290 nan 0.000 0.545 324 H N -1.059 118.165 119.070 0.257 0.000 2.353 324 H HA -0.078 4.486 4.556 0.014 0.000 0.300 324 H C 2.136 177.578 175.328 0.190 0.000 1.090 324 H CA 1.291 57.523 56.048 0.306 0.000 1.327 324 H CB -0.539 29.379 29.762 0.260 0.000 1.383 324 H HN 0.446 nan 8.280 nan 0.000 0.508 325 Y N 1.339 121.756 120.300 0.196 0.000 2.089 325 Y HA -0.190 4.368 4.550 0.013 0.000 0.282 325 Y C 2.678 178.658 175.900 0.134 0.000 1.139 325 Y CA 1.617 59.798 58.100 0.135 0.000 1.123 325 Y CB -0.715 37.798 38.460 0.089 0.000 0.980 325 Y HN 0.126 nan 8.280 nan 0.000 0.493 326 A N 0.752 123.482 122.820 -0.150 0.000 1.908 326 A HA -0.160 4.168 4.320 0.014 0.000 0.218 326 A C 2.461 179.944 177.584 -0.167 0.000 1.181 326 A CA 2.239 54.167 52.037 -0.182 0.000 0.627 326 A CB -1.606 17.385 19.000 -0.015 0.000 0.818 326 A HN 0.674 nan 8.150 nan 0.000 0.445 327 A N 0.244 123.049 122.820 -0.025 0.000 1.908 327 A HA -0.132 4.197 4.320 0.014 0.000 0.218 327 A C 2.533 180.095 177.584 -0.037 0.000 1.181 327 A CA 2.525 54.576 52.037 0.023 0.000 0.627 327 A CB -0.960 18.148 19.000 0.180 0.000 0.818 327 A HN 1.079 nan 8.150 nan 0.000 0.445 328 S N -1.053 114.617 115.700 -0.050 0.000 2.406 328 S HA -0.008 4.471 4.470 0.014 0.000 0.228 328 S C 1.783 176.306 174.600 -0.128 0.000 1.020 328 S CA 1.108 59.273 58.200 -0.059 0.000 0.965 328 S CB -0.272 62.923 63.200 -0.007 0.000 0.798 328 S HN 0.313 nan 8.310 nan 0.000 0.488 329 I N 1.668 122.088 120.570 -0.250 0.000 2.405 329 I HA 0.208 4.387 4.170 0.014 0.000 0.236 329 I C 0.756 176.715 176.117 -0.263 0.000 1.071 329 I CA 0.305 61.450 61.300 -0.259 0.000 1.398 329 I CB -0.762 37.008 38.000 -0.383 0.000 1.162 329 I HN 0.251 nan 8.210 nan 0.000 0.432 330 I N 4.107 124.472 120.570 -0.343 0.000 2.933 330 I HA -0.081 4.097 4.170 0.014 0.000 0.301 330 I C -0.054 175.923 176.117 -0.233 0.000 1.163 330 I CA 0.810 61.901 61.300 -0.348 0.000 1.629 330 I CB -1.478 36.282 38.000 -0.400 0.000 1.530 330 I HN 0.053 nan 8.210 nan 0.000 0.755 331 I N 6.197 126.642 120.570 -0.208 0.000 2.410 331 I HA 0.345 4.524 4.170 0.014 0.000 0.286 331 I C 0.618 176.628 176.117 -0.178 0.000 1.009 331 I CA -0.498 60.705 61.300 -0.161 0.000 1.111 331 I CB 1.404 39.331 38.000 -0.122 0.000 1.262 331 I HN 0.351 nan 8.210 nan 0.000 0.443 332 R N 5.647 126.030 120.500 -0.194 0.000 2.410 332 R HA 0.580 4.928 4.340 0.014 0.000 0.288 332 R C -0.380 175.795 176.300 -0.207 0.000 1.051 332 R CA -0.529 55.419 56.100 -0.253 0.000 1.021 332 R CB 0.900 31.002 30.300 -0.330 0.000 1.032 332 R HN 0.536 nan 8.270 nan 0.000 0.481 333 R N 0.750 121.123 120.500 -0.212 0.000 2.922 333 R HA 0.410 4.759 4.340 0.014 0.000 0.256 333 R C -0.649 175.598 176.300 -0.088 0.000 1.138 333 R CA -0.853 55.172 56.100 -0.125 0.000 0.995 333 R CB 1.736 31.987 30.300 -0.081 0.000 1.226 333 R HN 0.511 nan 8.270 nan 0.000 0.481 334 T N -0.282 114.247 114.554 -0.040 0.000 2.929 334 T HA 0.413 4.771 4.350 0.014 0.000 0.284 334 T C 0.337 175.050 174.700 0.021 0.000 1.014 334 T CA 0.277 62.374 62.100 -0.004 0.000 1.051 334 T CB 1.249 70.108 68.868 -0.015 0.000 1.028 334 T HN 0.781 nan 8.240 nan 0.000 0.485 335 G N 0.678 109.507 108.800 0.048 0.000 2.359 335 G HA2 -0.230 3.739 3.960 0.014 0.000 0.298 335 G HA3 -0.230 3.739 3.960 0.014 0.000 0.298 335 G C 0.658 175.608 174.900 0.083 0.000 1.030 335 G CA 0.137 45.280 45.100 0.072 0.000 1.149 335 G HN 0.833 nan 8.290 nan 0.000 0.512 336 C N -0.793 118.552 119.300 0.075 0.000 2.341 336 C HA 0.415 4.883 4.460 0.014 0.000 0.372 336 C C 1.958 176.916 174.990 -0.054 0.000 1.430 336 C CA 1.224 60.260 59.018 0.031 0.000 2.316 336 C CB -0.354 27.397 27.740 0.018 0.000 2.416 336 C HN 1.031 nan 8.230 nan 0.000 0.583 337 T N -0.279 114.237 114.554 -0.062 0.000 2.874 337 T HA 0.571 4.929 4.350 0.014 0.000 0.281 337 T C -0.571 174.150 174.700 0.035 0.000 0.994 337 T CA -0.138 61.823 62.100 -0.232 0.000 1.015 337 T CB 0.432 69.214 68.868 -0.143 0.000 1.028 337 T HN 0.317 nan 8.240 nan 0.000 0.523 338 F N 0.565 120.519 119.950 0.006 0.000 2.432 338 F HA 0.483 5.020 4.527 0.017 0.000 0.329 338 F C -1.796 174.013 175.800 0.016 0.000 1.076 338 F CA -2.828 55.176 58.000 0.007 0.000 1.018 338 F CB 0.773 39.775 39.000 0.003 0.000 1.201 338 F HN 0.368 nan 8.300 nan 0.000 0.489 339 P HA 0.077 nan 4.420 nan 0.000 0.266 339 P C 0.201 177.577 177.300 0.126 0.000 1.215 339 P CA 0.207 63.394 63.100 0.144 0.000 0.763 339 P CB 0.596 32.355 31.700 0.098 0.000 0.806 340 E N 1.978 122.241 120.200 0.105 0.000 2.149 340 E HA -0.218 4.140 4.350 0.014 0.000 0.215 340 E C 0.176 176.813 176.600 0.061 0.000 1.055 340 E CA 1.532 57.974 56.400 0.071 0.000 0.870 340 E CB 0.025 29.752 29.700 0.045 0.000 0.764 340 E HN 0.472 nan 8.360 nan 0.000 0.463 341 K N 1.216 121.649 120.400 0.054 0.000 2.292 341 K HA 0.345 4.674 4.320 0.014 0.000 0.257 341 K C -2.449 174.169 176.600 0.030 0.000 0.940 341 K CA -1.953 54.356 56.287 0.037 0.000 0.811 341 K CB 1.437 33.953 32.500 0.027 0.000 1.120 341 K HN -0.037 nan 8.250 nan 0.000 0.428 342 P HA 0.132 nan 4.420 nan 0.000 0.272 342 P C -0.715 176.576 177.300 -0.016 0.000 1.230 342 P CA -0.192 62.914 63.100 0.010 0.000 0.788 342 P CB 0.534 32.239 31.700 0.010 0.000 0.949 343 D N 0.311 120.689 120.400 -0.036 0.000 2.607 343 D HA 0.167 4.815 4.640 0.014 0.000 0.318 343 D C -0.532 175.683 176.300 -0.142 0.000 1.212 343 D CA -0.420 53.479 54.000 -0.169 0.000 0.861 343 D CB -0.793 39.900 40.800 -0.178 0.000 1.064 343 D HN 0.124 nan 8.370 nan 0.000 0.500 344 F N 1.761 121.595 119.950 -0.193 0.000 2.695 344 F HA 0.275 4.810 4.527 0.014 0.000 0.303 344 F C 0.521 176.314 175.800 -0.011 0.000 1.091 344 F CA 0.070 58.012 58.000 -0.096 0.000 1.300 344 F CB -0.300 38.671 39.000 -0.048 0.000 1.071 344 F HN 0.165 nan 8.300 nan 0.000 0.578 345 H N 0.000 119.014 119.070 -0.094 0.000 2.539 345 H HA 0.000 4.565 4.556 0.015 0.000 0.296 345 H CA 0.000 55.959 56.048 -0.148 0.000 1.023 345 H CB 0.000 29.638 29.762 -0.207 0.000 1.292 345 H HN 0.000 nan 8.280 nan 0.000 0.496