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 3bh1_1_C DATA FIRST_RESID 4 DATA SEQUENCE TIGFDREKYI EMQSQHIRER REALGGKLYL EMGGKLFDDM HASRVLPGFT DATA SEQUENCE PDNKIAMLDR IKDEVEILVC INAKDLERHK IRAXXXISYE EDVLRLVDVF DATA SEQUENCE RDRGFLVEHV VLTQXXNDNR LALAFIERLQ RLGIKVSRHR VIPGYPTDMD DATA SEQUENCE RIVSDEGFGL NEYAETTRDL VVVTAPGPGS GKLATCLSQV YHEHKRGVAA DATA SEQUENCE GYAKFETFPI WNLPLEHPVN LAYEAATVDL NDANVIDHFH LAAYGEQTVN DATA SEQUENCE YNRDVEAFPL LKTLLERLMG ESPYQSPTDM GVNMAGNCIS DDAACRHASE DATA SEQUENCE QEIIRRYFKA LVEEARTGKD STQSDRAAVV MAKAGIKASQ RVVVEPARQV DATA SEQUENCE EERTSLPGCA IELVDGSIIT GATSDLLGCS SSMLLNALKH LAGIDDAIHL DATA SEQUENCE LSPESIEPIQ TLKTVHLGSS NPRLHTDEVL IALSVSAATD SNAQKALDQL DATA SEQUENCE KNLRGCDVHT TTILGSVDEG IFRNLGVLVT SDPKFQKN 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.734 174.700 0.056 0.000 1.109 4 T CA 0.000 62.124 62.100 0.040 0.000 1.349 4 T CB 0.000 68.887 68.868 0.032 0.000 0.612 5 I N 3.832 124.437 120.570 0.058 0.000 2.382 5 I HA 0.589 4.759 4.170 -0.000 0.000 0.286 5 I C 1.110 177.279 176.117 0.087 0.000 1.002 5 I CA -0.134 61.214 61.300 0.080 0.000 1.135 5 I CB 1.982 40.024 38.000 0.071 0.000 1.288 5 I HN 0.853 nan 8.210 nan 0.000 0.448 6 G N 5.119 113.995 108.800 0.126 0.000 3.441 6 G HA2 0.190 4.150 3.960 -0.000 0.000 0.263 6 G HA3 0.190 4.150 3.960 -0.000 0.000 0.263 6 G C -0.386 174.634 174.900 0.200 0.000 1.014 6 G CA 0.154 45.332 45.100 0.131 0.000 0.833 6 G HN 0.351 nan 8.290 nan 0.000 0.514 7 F N 1.141 121.118 119.950 0.045 0.000 2.547 7 F HA 0.501 5.028 4.527 -0.000 0.000 0.316 7 F C -1.561 174.269 175.800 0.049 0.000 1.121 7 F CA -1.436 56.596 58.000 0.054 0.000 0.911 7 F CB 2.342 41.393 39.000 0.085 0.000 1.179 7 F HN -0.148 nan 8.300 nan 0.000 0.443 8 D N 5.771 125.855 120.400 -0.526 0.000 2.380 8 D HA 0.169 4.809 4.640 -0.000 0.000 0.230 8 D C 1.108 177.200 176.300 -0.346 0.000 1.154 8 D CA 0.083 53.891 54.000 -0.319 0.000 0.859 8 D CB 0.949 41.598 40.800 -0.251 0.000 1.045 8 D HN 0.775 nan 8.370 nan 0.000 0.495 9 R N 3.042 123.531 120.500 -0.019 0.000 2.062 9 R HA -0.168 4.172 4.340 -0.000 0.000 0.231 9 R C 1.365 177.715 176.300 0.084 0.000 1.136 9 R CA 1.267 57.438 56.100 0.118 0.000 0.948 9 R CB 0.154 30.523 30.300 0.115 0.000 0.845 9 R HN 0.272 nan 8.270 nan 0.000 0.430 10 E N 0.608 120.825 120.200 0.029 0.000 2.150 10 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 10 E C 1.750 178.355 176.600 0.009 0.000 0.985 10 E CA 1.331 57.744 56.400 0.022 0.000 0.814 10 E CB 0.063 29.767 29.700 0.006 0.000 0.752 10 E HN 0.126 nan 8.360 nan 0.000 0.466 11 K N -1.005 119.381 120.400 -0.024 0.000 2.097 11 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 11 K C 1.981 178.578 176.600 -0.006 0.000 1.050 11 K CA 1.234 57.496 56.287 -0.041 0.000 0.938 11 K CB -0.556 31.887 32.500 -0.095 0.000 0.718 11 K HN 0.227 nan 8.250 nan 0.000 0.442 12 Y N 0.755 120.985 120.300 -0.117 0.000 2.145 12 Y HA -0.154 4.396 4.550 -0.000 0.000 0.286 12 Y C 1.614 177.535 175.900 0.035 0.000 1.145 12 Y CA 1.747 59.843 58.100 -0.007 0.000 1.148 12 Y CB -0.157 38.381 38.460 0.130 0.000 0.981 12 Y HN 0.005 nan 8.280 nan 0.000 0.507 13 I N 0.059 120.662 120.570 0.055 0.000 2.151 13 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 13 I C 2.155 178.219 176.117 -0.089 0.000 1.080 13 I CA 1.889 63.168 61.300 -0.035 0.000 1.339 13 I CB -0.351 37.667 38.000 0.030 0.000 1.039 13 I HN 0.257 nan 8.210 nan 0.000 0.409 14 E N 0.033 120.199 120.200 -0.056 0.000 2.008 14 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 14 E C 2.069 178.630 176.600 -0.066 0.000 0.986 14 E CA 1.279 57.648 56.400 -0.052 0.000 0.807 14 E CB -0.183 29.498 29.700 -0.031 0.000 0.766 14 E HN 0.165 nan 8.360 nan 0.000 0.450 15 M N 0.336 119.897 119.600 -0.066 0.000 2.159 15 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 15 M C 2.115 178.381 176.300 -0.058 0.000 1.063 15 M CA 1.544 56.816 55.300 -0.046 0.000 1.110 15 M CB -0.408 32.172 32.600 -0.033 0.000 1.374 15 M HN 0.010 nan 8.290 nan 0.000 0.411 16 Q N -0.405 119.284 119.800 -0.185 0.000 2.046 16 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 16 Q C 2.100 178.033 176.000 -0.111 0.000 0.975 16 Q CA 2.429 58.112 55.803 -0.200 0.000 0.836 16 Q CB -0.371 28.003 28.738 -0.606 0.000 0.896 16 Q HN 0.623 nan 8.270 nan 0.000 0.428 17 S N -0.435 115.176 115.700 -0.148 0.000 2.382 17 S HA -0.241 4.229 4.470 -0.000 0.000 0.228 17 S C 1.976 176.548 174.600 -0.047 0.000 1.027 17 S CA 1.268 59.409 58.200 -0.098 0.000 0.991 17 S CB -0.512 62.634 63.200 -0.089 0.000 0.823 17 S HN 0.551 nan 8.310 nan 0.000 0.469 18 Q N 0.362 120.148 119.800 -0.022 0.000 2.119 18 Q HA -0.202 4.138 4.340 -0.000 0.000 0.201 18 Q C 2.253 178.280 176.000 0.044 0.000 0.972 18 Q CA 1.357 57.164 55.803 0.006 0.000 0.847 18 Q CB -0.314 28.433 28.738 0.014 0.000 0.903 18 Q HN 0.834 nan 8.270 nan 0.000 0.433 19 H N -0.100 118.950 119.070 -0.033 0.000 2.389 19 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 19 H C 2.055 177.373 175.328 -0.017 0.000 1.081 19 H CA 1.269 57.310 56.048 -0.012 0.000 1.345 19 H CB 0.170 29.939 29.762 0.012 0.000 1.393 19 H HN 0.285 nan 8.280 nan 0.000 0.520 20 I N 0.440 121.000 120.570 -0.016 0.000 2.179 20 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 20 I C 2.768 178.827 176.117 -0.098 0.000 1.088 20 I CA 1.099 62.353 61.300 -0.077 0.000 1.357 20 I CB -0.201 37.750 38.000 -0.082 0.000 1.051 20 I HN 0.180 nan 8.210 nan 0.000 0.409 21 R N 0.531 120.986 120.500 -0.074 0.000 2.105 21 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 21 R C 2.114 178.369 176.300 -0.075 0.000 1.135 21 R CA 1.509 57.568 56.100 -0.067 0.000 0.967 21 R CB -0.247 30.025 30.300 -0.047 0.000 0.861 21 R HN 0.461 nan 8.270 nan 0.000 0.442 22 E N -0.361 119.784 120.200 -0.092 0.000 2.208 22 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 22 E C 1.926 178.450 176.600 -0.127 0.000 0.988 22 E CA 0.492 56.833 56.400 -0.099 0.000 0.828 22 E CB 0.081 29.726 29.700 -0.092 0.000 0.763 22 E HN 0.040 nan 8.360 nan 0.000 0.478 23 R N 1.841 122.236 120.500 -0.175 0.000 2.075 23 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 23 R C 2.095 178.355 176.300 -0.067 0.000 1.126 23 R CA 1.782 57.801 56.100 -0.135 0.000 0.963 23 R CB -0.217 29.992 30.300 -0.152 0.000 0.858 23 R HN 0.142 nan 8.270 nan 0.000 0.435 24 R N -0.180 120.279 120.500 -0.068 0.000 2.148 24 R HA 0.027 4.367 4.340 -0.000 0.000 0.227 24 R C 1.406 177.679 176.300 -0.044 0.000 1.103 24 R CA 1.297 57.366 56.100 -0.051 0.000 0.983 24 R CB -0.323 29.937 30.300 -0.066 0.000 0.874 24 R HN 0.107 nan 8.270 nan 0.000 0.451 25 E N 1.323 121.494 120.200 -0.048 0.000 2.152 25 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 25 E C 2.017 178.597 176.600 -0.032 0.000 0.983 25 E CA 1.372 57.748 56.400 -0.038 0.000 0.818 25 E CB -0.137 29.541 29.700 -0.037 0.000 0.758 25 E HN 0.522 nan 8.360 nan 0.000 0.467 26 A N 0.626 123.425 122.820 -0.035 0.000 2.016 26 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 26 A C 2.012 179.580 177.584 -0.026 0.000 1.162 26 A CA 0.533 52.553 52.037 -0.028 0.000 0.662 26 A CB -0.265 18.718 19.000 -0.028 0.000 0.812 26 A HN 0.163 nan 8.150 nan 0.000 0.450 27 L N -1.196 120.014 121.223 -0.022 0.000 2.653 27 L HA 0.280 4.620 4.340 -0.000 0.000 0.232 27 L C 1.613 178.481 176.870 -0.004 0.000 1.169 27 L CA 0.478 55.312 54.840 -0.009 0.000 0.951 27 L CB 0.059 42.126 42.059 0.012 0.000 1.181 27 L HN 0.588 nan 8.230 nan 0.000 0.460 28 G N -0.360 108.429 108.800 -0.017 0.000 2.397 28 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.211 28 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.211 28 G C 0.790 175.669 174.900 -0.035 0.000 1.077 28 G CA -0.077 45.008 45.100 -0.026 0.000 0.649 28 G HN 0.470 nan 8.290 nan 0.000 0.511 29 G N -0.573 108.205 108.800 -0.037 0.000 3.847 29 G HA2 0.292 4.252 3.960 -0.000 0.000 0.189 29 G HA3 0.292 4.252 3.960 -0.000 0.000 0.189 29 G C 0.021 174.887 174.900 -0.058 0.000 0.907 29 G CA 0.931 46.003 45.100 -0.046 0.000 0.893 29 G HN 0.843 nan 8.290 nan 0.000 0.379 30 K N 0.353 120.719 120.400 -0.056 0.000 2.270 30 K HA 0.780 5.100 4.320 -0.000 0.000 0.255 30 K C -1.789 174.756 176.600 -0.092 0.000 0.936 30 K CA -0.775 55.454 56.287 -0.097 0.000 0.809 30 K CB 2.127 34.573 32.500 -0.091 0.000 1.131 30 K HN 0.129 nan 8.250 nan 0.000 0.427 31 L N 4.349 125.458 121.223 -0.190 0.000 2.410 31 L HA 0.452 4.792 4.340 -0.000 0.000 0.270 31 L C -1.963 174.749 176.870 -0.263 0.000 0.983 31 L CA -0.372 54.395 54.840 -0.120 0.000 0.822 31 L CB 1.291 43.304 42.059 -0.077 0.000 1.285 31 L HN 0.591 nan 8.230 nan 0.000 0.409 32 Y N 5.647 125.993 120.300 0.077 0.000 2.342 32 Y HA 0.520 5.070 4.550 -0.000 0.000 0.338 32 Y C -0.258 175.700 175.900 0.096 0.000 0.965 32 Y CA -0.470 57.688 58.100 0.096 0.000 1.159 32 Y CB 1.464 40.014 38.460 0.149 0.000 1.157 32 Y HN 0.398 nan 8.280 nan 0.000 0.486 33 L N 4.611 125.917 121.223 0.138 0.000 2.316 33 L HA 0.372 4.712 4.340 -0.000 0.000 0.280 33 L C -0.299 176.635 176.870 0.108 0.000 1.006 33 L CA -0.548 54.317 54.840 0.041 0.000 0.836 33 L CB 1.295 43.332 42.059 -0.036 0.000 1.221 33 L HN 0.698 nan 8.230 nan 0.000 0.418 34 E N 5.671 125.962 120.200 0.152 0.000 2.257 34 E HA 0.156 4.506 4.350 -0.000 0.000 0.278 34 E C -0.798 175.929 176.600 0.212 0.000 1.049 34 E CA -0.585 55.953 56.400 0.230 0.000 0.876 34 E CB 0.759 30.682 29.700 0.372 0.000 1.035 34 E HN 0.470 nan 8.360 nan 0.000 0.419 35 M N 4.194 123.916 119.600 0.204 0.000 2.111 35 M HA 0.267 4.747 4.480 -0.000 0.000 0.351 35 M C 0.180 176.618 176.300 0.231 0.000 1.214 35 M CA -0.428 55.037 55.300 0.276 0.000 1.120 35 M CB 0.636 33.362 32.600 0.209 0.000 1.443 35 M HN 0.495 nan 8.290 nan 0.000 0.429 36 G N 1.735 110.663 108.800 0.213 0.000 2.339 36 G HA2 0.599 4.559 3.960 -0.000 0.000 0.287 36 G HA3 0.599 4.559 3.960 -0.000 0.000 0.287 36 G C 0.451 175.426 174.900 0.126 0.000 1.163 36 G CA 0.348 45.543 45.100 0.158 0.000 0.872 36 G HN 1.022 nan 8.290 nan 0.000 0.464 37 G N 1.692 110.571 108.800 0.131 0.000 2.466 37 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.316 37 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.316 37 G C -0.277 174.706 174.900 0.139 0.000 1.270 37 G CA -1.005 44.169 45.100 0.124 0.000 0.982 37 G HN 0.699 nan 8.290 nan 0.000 0.506 38 K N 0.189 120.673 120.400 0.139 0.000 2.447 38 K HA 0.272 4.592 4.320 -0.000 0.000 0.281 38 K C 0.826 177.522 176.600 0.160 0.000 1.031 38 K CA -0.163 56.214 56.287 0.149 0.000 1.019 38 K CB 1.482 34.073 32.500 0.152 0.000 0.918 38 K HN 0.342 nan 8.250 nan 0.000 0.476 39 L N 3.258 124.572 121.223 0.150 0.000 2.349 39 L HA 0.237 4.577 4.340 -0.000 0.000 0.200 39 L C 0.177 176.983 176.870 -0.107 0.000 1.064 39 L CA 1.035 55.909 54.840 0.057 0.000 0.821 39 L CB 0.088 42.182 42.059 0.058 0.000 1.027 39 L HN 0.442 nan 8.230 nan 0.000 0.476 40 F N -0.204 119.763 119.950 0.028 0.000 2.403 40 F HA 0.284 4.811 4.527 -0.000 0.000 0.326 40 F C 0.814 176.643 175.800 0.049 0.000 1.081 40 F CA -0.794 57.210 58.000 0.007 0.000 1.041 40 F CB 0.629 39.591 39.000 -0.063 0.000 1.234 40 F HN -0.025 nan 8.300 nan 0.000 0.503 41 D N 1.298 121.850 120.400 0.253 0.000 2.686 41 D HA -0.239 4.401 4.640 -0.000 0.000 0.235 41 D C -0.562 175.837 176.300 0.165 0.000 1.160 41 D CA 0.422 54.530 54.000 0.181 0.000 0.645 41 D CB -0.917 39.974 40.800 0.151 0.000 1.039 41 D HN 0.381 nan 8.370 nan 0.000 0.423 42 D N 0.664 121.176 120.400 0.187 0.000 2.498 42 D HA 0.008 4.648 4.640 -0.000 0.000 0.229 42 D C 1.454 177.859 176.300 0.176 0.000 1.188 42 D CA -0.317 53.800 54.000 0.195 0.000 1.028 42 D CB 0.202 41.144 40.800 0.237 0.000 1.087 42 D HN 0.204 nan 8.370 nan 0.000 0.510 43 M N 1.249 120.936 119.600 0.144 0.000 2.296 43 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 43 M C 1.686 178.039 176.300 0.087 0.000 1.064 43 M CA 0.948 56.313 55.300 0.109 0.000 1.109 43 M CB -1.191 31.463 32.600 0.091 0.000 1.396 43 M HN 0.487 nan 8.290 nan 0.000 0.430 44 H N 1.013 120.097 119.070 0.022 0.000 2.293 44 H HA 0.028 4.584 4.556 -0.000 0.000 0.300 44 H C 1.975 177.257 175.328 -0.077 0.000 1.082 44 H CA 2.549 58.578 56.048 -0.032 0.000 1.308 44 H CB 0.015 29.761 29.762 -0.027 0.000 1.375 44 H HN 0.283 nan 8.280 nan 0.000 0.495 45 A N -0.013 122.788 122.820 -0.032 0.000 2.024 45 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 45 A C 2.605 180.025 177.584 -0.272 0.000 1.164 45 A CA 1.944 53.842 52.037 -0.232 0.000 0.643 45 A CB -1.025 17.625 19.000 -0.584 0.000 0.806 45 A HN 0.678 nan 8.150 nan 0.000 0.451 46 S N -0.465 115.209 115.700 -0.044 0.000 2.428 46 S HA -0.105 4.365 4.470 -0.000 0.000 0.230 46 S C 1.948 176.528 174.600 -0.034 0.000 1.014 46 S CA 1.056 59.285 58.200 0.047 0.000 0.957 46 S CB -0.326 62.939 63.200 0.107 0.000 0.784 46 S HN 0.643 nan 8.310 nan 0.000 0.499 47 R N -0.030 120.404 120.500 -0.110 0.000 2.140 47 R HA 0.243 4.583 4.340 -0.000 0.000 0.213 47 R C 2.088 178.280 176.300 -0.180 0.000 1.059 47 R CA 0.910 56.936 56.100 -0.124 0.000 1.000 47 R CB -0.275 29.947 30.300 -0.129 0.000 0.910 47 R HN 0.334 nan 8.270 nan 0.000 0.455 48 V N 1.015 120.746 119.914 -0.304 0.000 2.599 48 V HA 0.009 4.129 4.120 -0.000 0.000 0.245 48 V C 0.944 176.938 176.094 -0.166 0.000 1.046 48 V CA 1.040 63.151 62.300 -0.315 0.000 1.065 48 V CB 0.101 31.564 31.823 -0.601 0.000 0.703 48 V HN 0.154 nan 8.190 nan 0.000 0.464 49 L N 2.070 123.191 121.223 -0.169 0.000 2.435 49 L HA 0.371 4.710 4.340 -0.000 0.000 0.253 49 L C -2.603 174.254 176.870 -0.020 0.000 1.087 49 L CA -1.679 53.097 54.840 -0.106 0.000 0.950 49 L CB 1.146 43.007 42.059 -0.330 0.000 1.304 49 L HN 0.106 nan 8.230 nan 0.000 0.453 50 P HA 0.124 nan 4.420 nan 0.000 0.265 50 P C 0.933 178.332 177.300 0.165 0.000 1.222 50 P CA 0.655 63.806 63.100 0.086 0.000 0.767 50 P CB 1.002 32.749 31.700 0.079 0.000 0.801 51 G N 3.234 112.131 108.800 0.162 0.000 2.316 51 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.203 51 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.203 51 G C -0.088 174.971 174.900 0.265 0.000 0.999 51 G CA -0.673 44.560 45.100 0.222 0.000 0.649 51 G HN 0.499 nan 8.290 nan 0.000 0.489 52 F N 4.495 124.421 119.950 -0.040 0.000 2.533 52 F HA 0.482 5.009 4.527 -0.000 0.000 0.378 52 F C 1.375 177.107 175.800 -0.115 0.000 1.070 52 F CA 0.665 58.493 58.000 -0.286 0.000 1.172 52 F CB 0.688 39.199 39.000 -0.815 0.000 1.085 52 F HN 0.252 nan 8.300 nan 0.000 0.552 53 T N 4.135 118.594 114.554 -0.159 0.000 2.904 53 T HA 0.279 4.629 4.350 -0.000 0.000 0.290 53 T C -1.872 172.840 174.700 0.020 0.000 1.018 53 T CA -1.740 60.338 62.100 -0.036 0.000 1.075 53 T CB 1.409 70.243 68.868 -0.057 0.000 0.986 53 T HN 0.363 nan 8.240 nan 0.000 0.523 54 P HA -0.034 nan 4.420 nan 0.000 0.219 54 P C 0.611 177.979 177.300 0.113 0.000 1.146 54 P CA 0.975 64.168 63.100 0.156 0.000 0.808 54 P CB 0.082 31.858 31.700 0.126 0.000 0.779 55 D N -2.171 118.247 120.400 0.030 0.000 2.388 55 D HA 0.077 4.717 4.640 -0.000 0.000 0.221 55 D C 1.145 177.383 176.300 -0.102 0.000 1.133 55 D CA 0.033 54.019 54.000 -0.022 0.000 0.831 55 D CB -0.784 40.036 40.800 0.034 0.000 0.962 55 D HN 0.130 nan 8.370 nan 0.000 0.502 56 N N 0.830 119.388 118.700 -0.236 0.000 2.205 56 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 56 N C 1.602 177.058 175.510 -0.089 0.000 1.015 56 N CA 1.025 53.852 53.050 -0.370 0.000 0.862 56 N CB 0.300 38.036 38.487 -1.251 0.000 0.986 56 N HN 0.087 nan 8.380 nan 0.000 0.429 57 K N -0.136 120.267 120.400 0.005 0.000 2.155 57 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 57 K C 1.475 178.067 176.600 -0.012 0.000 1.052 57 K CA 0.601 56.983 56.287 0.159 0.000 0.948 57 K CB 0.183 32.834 32.500 0.252 0.000 0.728 57 K HN 0.203 nan 8.250 nan 0.000 0.448 58 I N 1.202 121.697 120.570 -0.125 0.000 2.286 58 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 58 I C 2.409 178.558 176.117 0.053 0.000 1.104 58 I CA 1.084 62.291 61.300 -0.154 0.000 1.397 58 I CB -1.324 36.422 38.000 -0.422 0.000 1.072 58 I HN 0.046 nan 8.210 nan 0.000 0.417 59 A N 0.579 123.418 122.820 0.031 0.000 2.015 59 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 59 A C 2.345 179.965 177.584 0.060 0.000 1.163 59 A CA 1.156 53.228 52.037 0.059 0.000 0.646 59 A CB -0.534 18.483 19.000 0.029 0.000 0.806 59 A HN 0.349 nan 8.150 nan 0.000 0.448 60 M N -0.274 119.356 119.600 0.051 0.000 2.132 60 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 60 M C 1.836 178.131 176.300 -0.008 0.000 1.065 60 M CA 1.668 56.963 55.300 -0.008 0.000 1.122 60 M CB -0.658 31.903 32.600 -0.065 0.000 1.365 60 M HN 0.430 nan 8.290 nan 0.000 0.411 61 L N -0.346 120.899 121.223 0.037 0.000 2.156 61 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 61 L C 2.271 179.317 176.870 0.292 0.000 1.095 61 L CA 1.029 55.940 54.840 0.118 0.000 0.770 61 L CB -0.890 41.203 42.059 0.056 0.000 0.914 61 L HN 0.343 nan 8.230 nan 0.000 0.439 62 D N 0.382 120.963 120.400 0.303 0.000 2.182 62 D HA -0.228 4.412 4.640 -0.000 0.000 0.201 62 D C 2.196 178.495 176.300 -0.001 0.000 0.986 62 D CA 1.028 55.097 54.000 0.114 0.000 0.847 62 D CB 0.260 41.115 40.800 0.093 0.000 0.942 62 D HN 0.060 nan 8.370 nan 0.000 0.467 63 R N 0.676 121.187 120.500 0.017 0.000 2.148 63 R HA -0.000 4.340 4.340 -0.000 0.000 0.223 63 R C 1.829 178.119 176.300 -0.018 0.000 1.088 63 R CA 0.696 56.789 56.100 -0.012 0.000 0.985 63 R CB -0.286 30.005 30.300 -0.015 0.000 0.880 63 R HN 0.367 nan 8.270 nan 0.000 0.451 64 I N -2.555 118.015 120.570 0.000 0.000 3.877 64 I HA 0.283 4.453 4.170 -0.000 0.000 0.332 64 I C 1.269 177.395 176.117 0.015 0.000 1.525 64 I CA -0.391 60.906 61.300 -0.005 0.000 1.146 64 I CB 0.393 38.383 38.000 -0.017 0.000 1.137 64 I HN -0.084 nan 8.210 nan 0.000 0.424 65 K N 2.048 122.445 120.400 -0.005 0.000 2.077 65 K HA -0.243 4.077 4.320 -0.000 0.000 0.213 65 K C 0.992 177.569 176.600 -0.037 0.000 1.051 65 K CA 2.486 58.732 56.287 -0.068 0.000 0.929 65 K CB -0.035 32.292 32.500 -0.289 0.000 0.715 65 K HN 0.436 nan 8.250 nan 0.000 0.451 66 D N 0.035 120.406 120.400 -0.048 0.000 2.363 66 D HA -0.046 4.594 4.640 -0.000 0.000 0.226 66 D C 0.600 176.887 176.300 -0.023 0.000 1.020 66 D CA 0.752 54.730 54.000 -0.036 0.000 0.892 66 D CB 0.334 41.109 40.800 -0.041 0.000 0.900 66 D HN 0.466 nan 8.370 nan 0.000 0.531 67 E N -0.327 119.864 120.200 -0.016 0.000 2.514 67 E HA 0.070 4.420 4.350 -0.000 0.000 0.215 67 E C 0.568 177.150 176.600 -0.030 0.000 0.946 67 E CA -0.082 56.302 56.400 -0.026 0.000 1.038 67 E CB 1.390 31.070 29.700 -0.034 0.000 1.069 67 E HN 0.075 nan 8.360 nan 0.000 0.503 68 V N -0.912 119.002 119.914 -0.000 0.000 2.881 68 V HA 0.537 4.657 4.120 -0.000 0.000 0.316 68 V C -0.532 175.560 176.094 -0.004 0.000 1.070 68 V CA -0.896 61.397 62.300 -0.011 0.000 0.976 68 V CB 2.036 33.865 31.823 0.010 0.000 1.038 68 V HN 0.013 nan 8.190 nan 0.000 0.446 69 E N 2.644 122.810 120.200 -0.057 0.000 2.246 69 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 69 E C -1.304 175.219 176.600 -0.128 0.000 0.880 69 E CA -0.905 55.459 56.400 -0.059 0.000 0.762 69 E CB 1.782 31.455 29.700 -0.045 0.000 1.180 69 E HN 0.737 nan 8.360 nan 0.000 0.416 70 I N 5.266 125.714 120.570 -0.203 0.000 2.471 70 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 70 I C 0.038 176.064 176.117 -0.153 0.000 1.079 70 I CA -0.148 60.952 61.300 -0.334 0.000 1.398 70 I CB 0.362 37.918 38.000 -0.740 0.000 1.403 70 I HN 0.607 nan 8.210 nan 0.000 0.530 71 L N 7.512 128.677 121.223 -0.096 0.000 2.362 71 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 71 L C -0.875 175.996 176.870 0.001 0.000 0.998 71 L CA -0.531 54.306 54.840 -0.006 0.000 0.820 71 L CB 1.926 44.004 42.059 0.031 0.000 1.270 71 L HN 0.278 nan 8.230 nan 0.000 0.415 72 V N 3.638 123.569 119.914 0.029 0.000 2.417 72 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 72 V C -0.299 175.823 176.094 0.045 0.000 1.024 72 V CA -0.643 61.685 62.300 0.047 0.000 0.861 72 V CB 1.382 33.249 31.823 0.072 0.000 0.985 72 V HN 0.810 nan 8.190 nan 0.000 0.436 73 C N 5.709 125.035 119.300 0.043 0.000 2.358 73 C HA 0.746 5.206 4.460 -0.000 0.000 0.342 73 C C 0.020 175.037 174.990 0.045 0.000 1.234 73 C CA -0.491 58.546 59.018 0.032 0.000 1.969 73 C CB 0.470 28.228 27.740 0.030 0.000 2.346 73 C HN 0.895 nan 8.230 nan 0.000 0.525 74 I N 4.072 124.668 120.570 0.043 0.000 2.548 74 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 74 I C -0.816 175.322 176.117 0.035 0.000 1.103 74 I CA -0.120 61.210 61.300 0.049 0.000 1.049 74 I CB 0.956 38.981 38.000 0.041 0.000 1.232 74 I HN 0.618 nan 8.210 nan 0.000 0.429 75 N N 4.961 123.692 118.700 0.051 0.000 2.530 75 N HA 0.242 4.982 4.740 -0.000 0.000 0.273 75 N C 0.804 176.307 175.510 -0.011 0.000 1.173 75 N CA 0.713 53.779 53.050 0.027 0.000 0.967 75 N CB 2.039 40.547 38.487 0.035 0.000 1.109 75 N HN 0.822 nan 8.380 nan 0.000 0.453 76 A N 4.531 127.340 122.820 -0.017 0.000 1.902 76 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 76 A C 1.828 179.374 177.584 -0.064 0.000 1.181 76 A CA 1.428 53.440 52.037 -0.043 0.000 0.623 76 A CB -0.215 18.776 19.000 -0.015 0.000 0.818 76 A HN 0.810 nan 8.150 nan 0.000 0.443 77 K N -0.331 120.039 120.400 -0.050 0.000 2.362 77 K HA -0.083 4.237 4.320 -0.000 0.000 0.200 77 K C 0.856 177.400 176.600 -0.093 0.000 1.046 77 K CA 1.166 57.415 56.287 -0.063 0.000 0.952 77 K CB -0.117 32.353 32.500 -0.050 0.000 0.753 77 K HN 0.373 nan 8.250 nan 0.000 0.466 78 D N 0.776 121.121 120.400 -0.092 0.000 2.277 78 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 78 D C 1.605 177.812 176.300 -0.155 0.000 0.962 78 D CA 0.683 54.603 54.000 -0.133 0.000 0.865 78 D CB 0.052 40.830 40.800 -0.038 0.000 0.939 78 D HN 0.095 nan 8.370 nan 0.000 0.510 79 L N 0.424 121.544 121.223 -0.172 0.000 2.007 79 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 79 L C 2.064 178.747 176.870 -0.312 0.000 1.073 79 L CA 1.269 55.956 54.840 -0.255 0.000 0.744 79 L CB -0.320 41.566 42.059 -0.287 0.000 0.898 79 L HN -0.057 nan 8.230 nan 0.000 0.435 80 E N 0.062 120.133 120.200 -0.214 0.000 2.285 80 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 80 E C 1.908 178.433 176.600 -0.125 0.000 0.997 80 E CA 0.605 56.901 56.400 -0.173 0.000 0.845 80 E CB -0.030 29.612 29.700 -0.096 0.000 0.782 80 E HN 0.485 nan 8.360 nan 0.000 0.491 81 R N -0.148 120.285 120.500 -0.111 0.000 2.310 81 R HA 0.099 4.439 4.340 -0.000 0.000 0.202 81 R C -0.299 176.014 176.300 0.021 0.000 0.933 81 R CA 0.117 56.191 56.100 -0.043 0.000 1.054 81 R CB -0.513 29.751 30.300 -0.061 0.000 0.985 81 R HN 0.093 nan 8.270 nan 0.000 0.489 82 H N 0.723 119.757 119.070 -0.059 0.000 2.677 82 H HA -0.148 4.408 4.556 -0.000 0.000 0.321 82 H C -0.677 174.604 175.328 -0.078 0.000 1.171 82 H CA 0.974 56.995 56.048 -0.044 0.000 1.139 82 H CB -0.959 28.792 29.762 -0.017 0.000 1.515 82 H HN 0.338 nan 8.280 nan 0.000 0.423 83 K N 1.169 121.503 120.400 -0.110 0.000 2.489 83 K HA 0.263 4.583 4.320 -0.000 0.000 0.278 83 K C 0.266 176.732 176.600 -0.224 0.000 1.000 83 K CA 0.173 56.282 56.287 -0.297 0.000 1.012 83 K CB 0.383 32.504 32.500 -0.632 0.000 0.903 83 K HN 0.390 nan 8.250 nan 0.000 0.485 84 I N 0.130 120.625 120.570 -0.125 0.000 3.108 84 I HA 0.641 4.811 4.170 -0.000 0.000 0.312 84 I C -0.830 175.402 176.117 0.192 0.000 1.095 84 I CA -0.845 60.515 61.300 0.100 0.000 1.000 84 I CB 2.063 40.105 38.000 0.071 0.000 1.229 84 I HN 0.520 nan 8.210 nan 0.000 0.454 85 R N 2.015 122.646 120.500 0.219 0.000 2.561 85 R HA 0.779 5.119 4.340 -0.000 0.000 0.266 85 R C -1.100 175.266 176.300 0.109 0.000 1.091 85 R CA -0.529 55.673 56.100 0.169 0.000 0.927 85 R CB 2.086 32.514 30.300 0.212 0.000 1.240 85 R HN 1.100 nan 8.270 nan 0.000 0.449 91 S N -1.073 114.712 115.700 0.142 0.000 2.726 91 S HA 0.590 5.060 4.470 -0.000 0.000 0.308 91 S C -0.023 174.738 174.600 0.268 0.000 1.115 91 S CA -0.516 57.813 58.200 0.216 0.000 0.965 91 S CB 1.281 64.616 63.200 0.224 0.000 1.145 91 S HN 0.525 nan 8.310 nan 0.000 0.532 92 Y N 0.338 120.669 120.300 0.052 0.000 2.509 92 Y HA 0.078 4.628 4.550 -0.000 0.000 0.293 92 Y C 2.396 178.312 175.900 0.027 0.000 1.133 92 Y CA 0.857 58.976 58.100 0.031 0.000 1.283 92 Y CB -0.648 37.812 38.460 0.000 0.000 1.001 92 Y HN 0.903 nan 8.280 nan 0.000 0.555 93 E N 0.440 120.751 120.200 0.186 0.000 2.017 93 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 93 E C 2.053 178.781 176.600 0.212 0.000 0.997 93 E CA 1.590 58.074 56.400 0.140 0.000 0.804 93 E CB -0.092 29.701 29.700 0.154 0.000 0.757 93 E HN 0.334 nan 8.360 nan 0.000 0.448 94 E N -0.455 119.847 120.200 0.170 0.000 2.474 94 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 94 E C 0.783 177.440 176.600 0.096 0.000 1.041 94 E CA 0.337 56.819 56.400 0.137 0.000 0.874 94 E CB 0.175 29.936 29.700 0.102 0.000 0.914 94 E HN 0.219 nan 8.360 nan 0.000 0.498 95 D N -0.548 119.900 120.400 0.079 0.000 2.224 95 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 95 D C 1.804 178.124 176.300 0.034 0.000 0.965 95 D CA 0.597 54.609 54.000 0.021 0.000 0.852 95 D CB 0.383 41.151 40.800 -0.052 0.000 0.947 95 D HN -0.003 nan 8.370 nan 0.000 0.494 96 V N 0.214 120.180 119.914 0.086 0.000 2.453 96 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 96 V C 2.219 178.377 176.094 0.107 0.000 1.048 96 V CA 0.906 63.277 62.300 0.118 0.000 1.049 96 V CB -0.326 31.617 31.823 0.199 0.000 0.672 96 V HN 0.212 nan 8.190 nan 0.000 0.457 97 L N -0.354 120.931 121.223 0.103 0.000 2.291 97 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 97 L C 2.420 179.309 176.870 0.031 0.000 1.120 97 L CA 1.491 56.362 54.840 0.053 0.000 0.799 97 L CB -0.630 41.457 42.059 0.046 0.000 0.925 97 L HN 0.206 nan 8.230 nan 0.000 0.446 98 R N -0.906 119.608 120.500 0.024 0.000 2.140 98 R HA 0.089 4.429 4.340 -0.000 0.000 0.213 98 R C 2.046 178.320 176.300 -0.044 0.000 1.059 98 R CA 0.931 57.019 56.100 -0.021 0.000 1.000 98 R CB -0.269 30.009 30.300 -0.037 0.000 0.910 98 R HN 0.209 nan 8.270 nan 0.000 0.455 99 L N -0.499 120.731 121.223 0.012 0.000 2.027 99 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 99 L C 2.058 179.052 176.870 0.206 0.000 1.074 99 L CA 1.147 56.034 54.840 0.078 0.000 0.745 99 L CB -0.410 41.760 42.059 0.184 0.000 0.898 99 L HN 0.024 nan 8.230 nan 0.000 0.433 100 V N 0.712 120.732 119.914 0.176 0.000 2.287 100 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 100 V C 2.247 178.436 176.094 0.160 0.000 1.053 100 V CA 2.174 64.583 62.300 0.182 0.000 1.027 100 V CB -0.686 31.196 31.823 0.098 0.000 0.646 100 V HN 0.682 nan 8.190 nan 0.000 0.447 101 D N -0.642 119.807 120.400 0.082 0.000 2.317 101 D HA -0.082 4.558 4.640 -0.000 0.000 0.211 101 D C 1.953 178.276 176.300 0.037 0.000 0.966 101 D CA 0.858 54.891 54.000 0.055 0.000 0.876 101 D CB 0.300 41.112 40.800 0.019 0.000 0.927 101 D HN 0.342 nan 8.370 nan 0.000 0.519 102 V N -0.550 119.355 119.914 -0.014 0.000 2.878 102 V HA 0.001 4.121 4.120 -0.000 0.000 0.250 102 V C 1.712 177.802 176.094 -0.008 0.000 1.075 102 V CA 0.497 62.724 62.300 -0.122 0.000 1.096 102 V CB -0.557 31.029 31.823 -0.395 0.000 0.724 102 V HN -0.054 nan 8.190 nan 0.000 0.467 103 F N 0.766 120.794 119.950 0.131 0.000 2.259 103 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 103 F C 2.444 178.436 175.800 0.319 0.000 1.088 103 F CA 1.279 59.443 58.000 0.274 0.000 1.358 103 F CB -0.218 38.880 39.000 0.164 0.000 1.040 103 F HN 0.044 nan 8.300 nan 0.000 0.505 104 R N -0.126 120.591 120.500 0.362 0.000 2.236 104 R HA -0.082 4.258 4.340 -0.000 0.000 0.208 104 R C 1.499 177.895 176.300 0.161 0.000 1.036 104 R CA 0.795 57.035 56.100 0.234 0.000 1.001 104 R CB -0.301 30.089 30.300 0.150 0.000 0.896 104 R HN 0.182 nan 8.270 nan 0.000 0.464 105 D N 1.033 121.522 120.400 0.150 0.000 2.123 105 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 105 D C 1.823 178.181 176.300 0.096 0.000 0.992 105 D CA 1.305 55.362 54.000 0.095 0.000 0.833 105 D CB 0.000 40.841 40.800 0.067 0.000 0.954 105 D HN 0.352 nan 8.370 nan 0.000 0.455 106 R N -0.567 120.026 120.500 0.155 0.000 2.246 106 R HA 0.241 4.581 4.340 -0.000 0.000 0.199 106 R C 1.134 177.405 176.300 -0.048 0.000 0.984 106 R CA 0.825 56.974 56.100 0.081 0.000 1.015 106 R CB 0.211 30.610 30.300 0.166 0.000 0.930 106 R HN 0.110 nan 8.270 nan 0.000 0.475 107 G N 1.193 110.007 108.800 0.022 0.000 2.173 107 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.174 107 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.174 107 G C -0.308 174.534 174.900 -0.096 0.000 1.025 107 G CA -0.667 44.409 45.100 -0.041 0.000 0.706 107 G HN 0.184 nan 8.290 nan 0.000 0.499 108 F N -0.607 119.410 119.950 0.111 0.000 2.410 108 F HA 0.564 5.091 4.527 -0.000 0.000 0.334 108 F C 1.112 176.928 175.800 0.026 0.000 1.134 108 F CA -0.640 57.402 58.000 0.069 0.000 1.227 108 F CB 0.981 40.044 39.000 0.105 0.000 1.194 108 F HN 0.092 nan 8.300 nan 0.000 0.571 109 L N 3.401 124.739 121.223 0.192 0.000 2.325 109 L HA 0.401 4.741 4.340 -0.000 0.000 0.284 109 L C -1.086 175.819 176.870 0.059 0.000 1.089 109 L CA -0.222 54.675 54.840 0.095 0.000 0.836 109 L CB 0.143 42.236 42.059 0.057 0.000 1.184 109 L HN 0.309 nan 8.230 nan 0.000 0.444 110 V N 5.286 125.233 119.914 0.055 0.000 2.357 110 V HA 0.255 4.375 4.120 -0.000 0.000 0.281 110 V C 0.288 176.395 176.094 0.021 0.000 1.015 110 V CA -0.331 61.982 62.300 0.022 0.000 0.827 110 V CB 1.128 32.973 31.823 0.036 0.000 1.018 110 V HN 0.897 nan 8.190 nan 0.000 0.432 111 E N 2.040 122.256 120.200 0.026 0.000 2.759 111 E HA 0.274 4.624 4.350 -0.000 0.000 0.220 111 E C -0.422 176.032 176.600 -0.243 0.000 0.974 111 E CA -0.483 55.877 56.400 -0.067 0.000 1.148 111 E CB 0.517 30.178 29.700 -0.065 0.000 1.059 111 E HN 0.731 nan 8.360 nan 0.000 0.493 112 H N -0.183 118.870 119.070 -0.028 0.000 2.689 112 H HA 0.523 5.079 4.556 -0.000 0.000 0.346 112 H C -1.520 173.797 175.328 -0.019 0.000 1.037 112 H CA -0.699 55.331 56.048 -0.030 0.000 1.234 112 H CB 2.251 31.988 29.762 -0.042 0.000 1.572 112 H HN -0.051 nan 8.280 nan 0.000 0.524 113 V N 4.361 124.321 119.914 0.077 0.000 2.525 113 V HA 0.269 4.389 4.120 -0.000 0.000 0.299 113 V C -0.596 175.532 176.094 0.055 0.000 1.034 113 V CA -0.785 61.555 62.300 0.067 0.000 0.863 113 V CB 1.986 33.853 31.823 0.072 0.000 0.999 113 V HN 0.503 nan 8.190 nan 0.000 0.423 114 V N 6.011 125.933 119.914 0.013 0.000 2.370 114 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 114 V C -0.072 176.003 176.094 -0.031 0.000 1.029 114 V CA -0.519 61.744 62.300 -0.063 0.000 0.870 114 V CB 1.571 33.247 31.823 -0.245 0.000 0.984 114 V HN 0.687 nan 8.190 nan 0.000 0.451 115 L N 7.188 128.420 121.223 0.016 0.000 2.363 115 L HA 0.424 4.764 4.340 -0.000 0.000 0.286 115 L C 0.752 177.658 176.870 0.061 0.000 1.106 115 L CA 0.567 55.437 54.840 0.050 0.000 0.859 115 L CB 0.664 42.773 42.059 0.084 0.000 1.223 115 L HN 0.874 nan 8.230 nan 0.000 0.446 116 T N 1.575 116.155 114.554 0.043 0.000 2.922 116 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 116 T C 0.009 174.755 174.700 0.077 0.000 1.005 116 T CA -0.442 61.706 62.100 0.080 0.000 1.061 116 T CB 1.504 70.403 68.868 0.053 0.000 1.007 116 T HN 0.733 nan 8.240 nan 0.000 0.502 121 D N 2.893 123.309 120.400 0.026 0.000 2.367 121 D HA 0.250 4.890 4.640 -0.000 0.000 0.255 121 D C -0.641 175.672 176.300 0.022 0.000 1.300 121 D CA 0.637 54.652 54.000 0.024 0.000 0.959 121 D CB -0.477 40.336 40.800 0.020 0.000 1.064 121 D HN 0.160 nan 8.370 nan 0.000 0.509 122 N N 1.218 119.933 118.700 0.025 0.000 2.238 122 N HA 0.155 4.895 4.740 -0.000 0.000 0.302 122 N C 1.150 176.676 175.510 0.027 0.000 1.072 122 N CA -0.504 52.559 53.050 0.021 0.000 0.792 122 N CB 2.302 40.799 38.487 0.017 0.000 1.425 122 N HN 0.210 nan 8.380 nan 0.000 0.478 123 R N 1.469 121.983 120.500 0.023 0.000 2.093 123 R HA 0.134 4.474 4.340 -0.000 0.000 0.224 123 R C 1.311 177.635 176.300 0.039 0.000 1.101 123 R CA 1.093 57.211 56.100 0.029 0.000 0.979 123 R CB -0.223 30.091 30.300 0.024 0.000 0.877 123 R HN 0.450 nan 8.270 nan 0.000 0.441 124 L N -0.072 121.173 121.223 0.036 0.000 2.590 124 L HA 0.397 4.737 4.340 -0.000 0.000 0.227 124 L C 1.941 178.859 176.870 0.080 0.000 1.099 124 L CA 0.426 55.299 54.840 0.056 0.000 0.872 124 L CB 0.253 42.331 42.059 0.031 0.000 1.088 124 L HN 0.428 nan 8.230 nan 0.000 0.479 125 A N -0.597 122.255 122.820 0.052 0.000 2.030 125 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 125 A C 1.971 179.623 177.584 0.114 0.000 1.164 125 A CA 0.445 52.523 52.037 0.068 0.000 0.697 125 A CB -0.039 18.972 19.000 0.018 0.000 0.827 125 A HN 0.194 nan 8.150 nan 0.000 0.457 126 L N -0.648 120.626 121.223 0.085 0.000 2.217 126 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 126 L C 2.674 179.596 176.870 0.086 0.000 1.107 126 L CA 1.767 56.653 54.840 0.077 0.000 0.783 126 L CB -1.134 40.957 42.059 0.053 0.000 0.919 126 L HN 0.456 nan 8.230 nan 0.000 0.442 127 A N -1.885 120.996 122.820 0.102 0.000 2.123 127 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 127 A C 2.004 179.663 177.584 0.125 0.000 1.152 127 A CA 0.306 52.399 52.037 0.093 0.000 0.728 127 A CB -0.419 18.633 19.000 0.087 0.000 0.814 127 A HN 0.304 nan 8.150 nan 0.000 0.464 128 F N 0.460 120.417 119.950 0.012 0.000 2.335 128 F HA 0.007 4.534 4.527 -0.000 0.000 0.296 128 F C 1.921 177.727 175.800 0.010 0.000 1.091 128 F CA 0.590 58.597 58.000 0.012 0.000 1.399 128 F CB 0.110 39.117 39.000 0.013 0.000 1.067 128 F HN 0.103 nan 8.300 nan 0.000 0.520 129 I N 0.154 120.808 120.570 0.139 0.000 2.127 129 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 129 I C 2.127 178.232 176.117 -0.021 0.000 1.075 129 I CA 1.594 62.928 61.300 0.055 0.000 1.334 129 I CB -1.304 36.734 38.000 0.063 0.000 1.040 129 I HN 0.112 nan 8.210 nan 0.000 0.405 130 E N 0.277 120.467 120.200 -0.017 0.000 2.268 130 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 130 E C 2.135 178.687 176.600 -0.080 0.000 0.995 130 E CA 0.605 56.983 56.400 -0.036 0.000 0.836 130 E CB -0.153 29.540 29.700 -0.012 0.000 0.763 130 E HN 0.198 nan 8.360 nan 0.000 0.491 131 R N 0.032 120.445 120.500 -0.145 0.000 2.090 131 R HA 0.022 4.362 4.340 -0.000 0.000 0.228 131 R C 1.730 177.897 176.300 -0.222 0.000 1.110 131 R CA 1.082 57.052 56.100 -0.217 0.000 0.973 131 R CB -0.280 29.794 30.300 -0.376 0.000 0.869 131 R HN 0.200 nan 8.270 nan 0.000 0.440 132 L N -0.110 120.974 121.223 -0.231 0.000 2.072 132 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 132 L C 2.411 179.218 176.870 -0.105 0.000 1.079 132 L CA 1.389 56.129 54.840 -0.168 0.000 0.752 132 L CB -0.491 41.488 42.059 -0.133 0.000 0.906 132 L HN 0.264 nan 8.230 nan 0.000 0.436 133 Q N 0.139 119.888 119.800 -0.085 0.000 2.224 133 Q HA -0.177 4.163 4.340 -0.000 0.000 0.203 133 Q C 2.195 178.161 176.000 -0.056 0.000 0.970 133 Q CA 1.161 56.926 55.803 -0.063 0.000 0.865 133 Q CB -0.096 28.614 28.738 -0.047 0.000 0.922 133 Q HN 0.513 nan 8.270 nan 0.000 0.445 134 R N 0.266 120.730 120.500 -0.060 0.000 2.236 134 R HA -0.024 4.316 4.340 -0.000 0.000 0.208 134 R C 1.120 177.392 176.300 -0.048 0.000 1.036 134 R CA 0.889 56.960 56.100 -0.049 0.000 1.001 134 R CB 0.083 30.355 30.300 -0.047 0.000 0.896 134 R HN 0.202 nan 8.270 nan 0.000 0.464 135 L N 0.300 121.488 121.223 -0.059 0.000 2.959 135 L HA 0.420 4.760 4.340 -0.000 0.000 0.259 135 L C 0.194 177.037 176.870 -0.045 0.000 1.185 135 L CA 0.139 54.949 54.840 -0.050 0.000 0.998 135 L CB 1.361 43.386 42.059 -0.057 0.000 1.337 135 L HN 0.503 nan 8.230 nan 0.000 0.555 136 G N 2.054 110.823 108.800 -0.051 0.000 2.356 136 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.233 136 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.233 136 G C -0.219 174.644 174.900 -0.062 0.000 1.105 136 G CA -0.046 45.025 45.100 -0.049 0.000 0.861 136 G HN 0.331 nan 8.290 nan 0.000 0.493 137 I N -2.212 118.310 120.570 -0.081 0.000 2.534 137 I HA 0.535 4.705 4.170 -0.000 0.000 0.286 137 I C 0.028 176.061 176.117 -0.140 0.000 1.094 137 I CA -1.401 59.834 61.300 -0.109 0.000 1.055 137 I CB 1.537 39.493 38.000 -0.074 0.000 1.225 137 I HN -0.075 nan 8.210 nan 0.000 0.435 138 K N 3.651 123.909 120.400 -0.236 0.000 2.355 138 K HA 0.489 4.809 4.320 -0.000 0.000 0.270 138 K C -0.539 175.945 176.600 -0.192 0.000 1.003 138 K CA -0.321 55.819 56.287 -0.246 0.000 0.957 138 K CB 1.957 34.231 32.500 -0.377 0.000 0.939 138 K HN 0.479 nan 8.250 nan 0.000 0.482 139 V N 1.886 121.755 119.914 -0.074 0.000 2.577 139 V HA 0.343 4.463 4.120 -0.000 0.000 0.303 139 V C -1.089 175.037 176.094 0.053 0.000 1.042 139 V CA -0.386 61.918 62.300 0.007 0.000 0.872 139 V CB 1.881 33.721 31.823 0.029 0.000 0.998 139 V HN 0.793 nan 8.190 nan 0.000 0.423 140 S N 6.728 122.480 115.700 0.087 0.000 2.578 140 S HA 0.662 5.132 4.470 -0.000 0.000 0.283 140 S C -0.409 174.285 174.600 0.156 0.000 1.195 140 S CA -0.733 57.541 58.200 0.123 0.000 1.050 140 S CB 1.208 64.490 63.200 0.137 0.000 1.012 140 S HN 0.783 nan 8.310 nan 0.000 0.511 141 R N 1.807 122.437 120.500 0.217 0.000 2.393 141 R HA 0.400 4.740 4.340 -0.000 0.000 0.315 141 R C -0.817 175.680 176.300 0.329 0.000 0.952 141 R CA -0.437 55.794 56.100 0.217 0.000 0.842 141 R CB 1.058 31.438 30.300 0.133 0.000 1.163 141 R HN 0.696 nan 8.270 nan 0.000 0.450 142 H N 2.619 121.735 119.070 0.077 0.000 2.489 142 H HA 0.390 4.946 4.556 -0.000 0.000 0.343 142 H C -0.024 175.356 175.328 0.088 0.000 1.086 142 H CA -1.022 55.082 56.048 0.093 0.000 1.198 142 H CB 1.838 31.653 29.762 0.089 0.000 1.490 142 H HN 0.198 nan 8.280 nan 0.000 0.504 143 R N 1.370 121.958 120.500 0.146 0.000 2.606 143 R HA 0.370 4.710 4.340 -0.000 0.000 0.249 143 R C -0.410 175.962 176.300 0.120 0.000 1.127 143 R CA -0.997 55.169 56.100 0.110 0.000 1.133 143 R CB 1.335 31.678 30.300 0.071 0.000 1.243 143 R HN 0.267 nan 8.270 nan 0.000 0.558 144 V N 2.641 122.618 119.914 0.106 0.000 2.546 144 V HA 0.267 4.387 4.120 -0.000 0.000 0.284 144 V C 0.587 176.741 176.094 0.100 0.000 1.050 144 V CA -0.634 61.749 62.300 0.139 0.000 0.981 144 V CB 1.066 32.983 31.823 0.156 0.000 0.990 144 V HN 0.393 nan 8.190 nan 0.000 0.474 145 I N 5.712 126.351 120.570 0.114 0.000 2.353 145 I HA 0.352 4.522 4.170 -0.000 0.000 0.293 145 I C -2.162 173.853 176.117 -0.171 0.000 0.992 145 I CA -2.646 58.636 61.300 -0.030 0.000 1.268 145 I CB 1.272 39.224 38.000 -0.080 0.000 1.387 145 I HN 0.431 nan 8.210 nan 0.000 0.478 146 P HA 0.133 nan 4.420 nan 0.000 0.264 146 P C 0.367 177.459 177.300 -0.346 0.000 1.236 146 P CA 0.385 63.324 63.100 -0.268 0.000 0.811 146 P CB 0.197 31.799 31.700 -0.164 0.000 0.840 147 G N 3.484 111.947 108.800 -0.563 0.000 2.940 147 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.273 147 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.273 147 G C 0.138 174.797 174.900 -0.402 0.000 1.030 147 G CA -0.547 44.268 45.100 -0.474 0.000 1.066 147 G HN 0.340 nan 8.290 nan 0.000 0.466 148 Y N 1.985 122.243 120.300 -0.070 0.000 2.109 148 Y HA 0.060 4.610 4.550 -0.000 0.000 0.285 148 Y C 1.059 176.904 175.900 -0.091 0.000 1.131 148 Y CA 2.156 60.212 58.100 -0.074 0.000 1.121 148 Y CB -1.230 37.207 38.460 -0.039 0.000 0.987 148 Y HN 0.517 nan 8.280 nan 0.000 0.495 149 P HA 0.048 nan 4.420 nan 0.000 0.218 149 P C 1.456 178.725 177.300 -0.052 0.000 1.147 149 P CA 1.848 64.950 63.100 0.005 0.000 0.863 149 P CB -0.115 31.603 31.700 0.029 0.000 0.812 150 T N -2.559 111.964 114.554 -0.051 0.000 2.770 150 T HA -0.051 4.299 4.350 -0.000 0.000 0.263 150 T C 0.641 175.286 174.700 -0.091 0.000 1.039 150 T CA 0.772 62.834 62.100 -0.063 0.000 1.142 150 T CB -1.488 67.351 68.868 -0.048 0.000 0.868 150 T HN -0.122 nan 8.240 nan 0.000 0.435 151 D N 1.639 121.969 120.400 -0.118 0.000 2.429 151 D HA 0.181 4.821 4.640 -0.000 0.000 0.253 151 D C 1.023 177.233 176.300 -0.150 0.000 1.294 151 D CA 0.003 53.925 54.000 -0.130 0.000 1.063 151 D CB 0.360 41.070 40.800 -0.149 0.000 1.096 151 D HN 0.155 nan 8.370 nan 0.000 0.516 152 M N 0.818 120.341 119.600 -0.129 0.000 2.374 152 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 152 M C 1.000 177.213 176.300 -0.145 0.000 1.067 152 M CA 1.020 56.236 55.300 -0.139 0.000 1.103 152 M CB -0.102 32.435 32.600 -0.105 0.000 1.402 152 M HN 0.229 nan 8.290 nan 0.000 0.444 153 D N -0.109 120.216 120.400 -0.125 0.000 2.162 153 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 153 D C 2.123 178.337 176.300 -0.144 0.000 0.967 153 D CA 0.913 54.845 54.000 -0.114 0.000 0.840 153 D CB -0.021 40.728 40.800 -0.086 0.000 0.972 153 D HN 0.272 nan 8.370 nan 0.000 0.482 154 R N -0.137 120.263 120.500 -0.166 0.000 2.148 154 R HA 0.060 4.400 4.340 -0.000 0.000 0.223 154 R C 2.233 178.365 176.300 -0.280 0.000 1.088 154 R CA 0.495 56.482 56.100 -0.189 0.000 0.985 154 R CB 0.029 30.223 30.300 -0.177 0.000 0.880 154 R HN 0.233 nan 8.270 nan 0.000 0.451 155 I N 0.015 120.367 120.570 -0.363 0.000 2.141 155 I HA -0.139 4.031 4.170 -0.000 0.000 0.236 155 I C 0.754 176.449 176.117 -0.703 0.000 1.071 155 I CA 0.775 61.696 61.300 -0.632 0.000 1.345 155 I CB 0.033 37.631 38.000 -0.670 0.000 1.066 155 I HN -0.154 nan 8.210 nan 0.000 0.406 156 V N 2.706 122.350 119.914 -0.451 0.000 2.055 156 V HA 0.182 4.302 4.120 -0.000 0.000 0.248 156 V C 0.133 176.120 176.094 -0.178 0.000 1.476 156 V CA 0.048 62.156 62.300 -0.320 0.000 1.417 156 V CB -1.897 29.873 31.823 -0.089 0.000 1.465 156 V HN 0.541 nan 8.190 nan 0.000 0.502 157 S N 0.373 115.910 115.700 -0.272 0.000 2.714 157 S HA 0.350 4.820 4.470 -0.000 0.000 0.280 157 S C -0.001 174.578 174.600 -0.036 0.000 1.200 157 S CA -0.616 57.545 58.200 -0.065 0.000 0.900 157 S CB 1.419 64.570 63.200 -0.081 0.000 1.235 157 S HN 0.205 nan 8.310 nan 0.000 0.512 158 D N 0.840 121.254 120.400 0.023 0.000 2.323 158 D HA 0.117 4.757 4.640 -0.000 0.000 0.209 158 D C 1.271 177.566 176.300 -0.009 0.000 0.973 158 D CA 0.707 54.731 54.000 0.040 0.000 0.874 158 D CB -0.037 40.793 40.800 0.050 0.000 0.930 158 D HN 0.518 nan 8.370 nan 0.000 0.521 159 E N -0.211 119.957 120.200 -0.053 0.000 2.427 159 E HA 0.081 4.431 4.350 -0.000 0.000 0.196 159 E C 1.520 178.061 176.600 -0.098 0.000 1.028 159 E CA 0.454 56.814 56.400 -0.067 0.000 0.864 159 E CB 0.497 30.151 29.700 -0.077 0.000 0.813 159 E HN 0.344 nan 8.360 nan 0.000 0.514 160 G N -0.342 108.372 108.800 -0.144 0.000 2.509 160 G HA2 0.080 4.040 3.960 -0.000 0.000 0.168 160 G HA3 0.080 4.040 3.960 -0.000 0.000 0.168 160 G C 1.056 175.895 174.900 -0.101 0.000 1.415 160 G CA -0.382 44.606 45.100 -0.187 0.000 0.686 160 G HN 0.134 nan 8.290 nan 0.000 0.677 161 F N 1.971 121.695 119.950 -0.376 0.000 2.502 161 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 161 F C 2.702 178.306 175.800 -0.326 0.000 1.111 161 F CA 0.301 58.007 58.000 -0.491 0.000 1.445 161 F CB 0.493 38.908 39.000 -0.974 0.000 1.081 161 F HN 0.323 nan 8.300 nan 0.000 0.558 162 G N 0.197 108.997 108.800 0.000 0.000 2.534 162 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 162 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 162 G C 1.528 176.530 174.900 0.169 0.000 1.128 162 G CA 0.198 45.406 45.100 0.180 0.000 0.784 162 G HN 0.277 nan 8.290 nan 0.000 0.542 163 L N 0.229 121.508 121.223 0.094 0.000 2.217 163 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 163 L C 0.502 177.413 176.870 0.069 0.000 1.107 163 L CA 0.042 54.924 54.840 0.070 0.000 0.783 163 L CB -0.395 41.686 42.059 0.036 0.000 0.919 163 L HN 0.028 nan 8.230 nan 0.000 0.442 164 N N 1.024 119.763 118.700 0.065 0.000 2.529 164 N HA 0.122 4.862 4.740 -0.000 0.000 0.278 164 N C -0.290 175.222 175.510 0.003 0.000 1.146 164 N CA -0.046 52.952 53.050 -0.087 0.000 0.980 164 N CB 0.556 38.683 38.487 -0.599 0.000 1.124 164 N HN 0.118 nan 8.380 nan 0.000 0.458 165 E N 0.788 120.995 120.200 0.012 0.000 2.324 165 E HA -0.020 4.330 4.350 -0.000 0.000 0.271 165 E C -0.568 176.036 176.600 0.006 0.000 1.028 165 E CA -0.128 56.284 56.400 0.020 0.000 0.890 165 E CB 0.584 30.334 29.700 0.084 0.000 1.004 165 E HN 0.471 nan 8.360 nan 0.000 0.431 166 Y N 2.132 122.241 120.300 -0.318 0.000 2.425 166 Y HA 0.222 4.772 4.550 -0.000 0.000 0.331 166 Y C -0.207 175.662 175.900 -0.052 0.000 1.157 166 Y CA -0.841 57.080 58.100 -0.298 0.000 1.372 166 Y CB 0.582 38.792 38.460 -0.417 0.000 1.253 166 Y HN 0.524 nan 8.280 nan 0.000 0.536 167 A N 5.738 128.214 122.820 -0.574 0.000 2.310 167 A HA 0.212 4.532 4.320 -0.000 0.000 0.300 167 A C -0.201 176.719 177.584 -1.107 0.000 1.269 167 A CA -0.657 51.017 52.037 -0.604 0.000 0.909 167 A CB -0.127 18.622 19.000 -0.417 0.000 1.144 167 A HN 0.877 nan 8.150 nan 0.000 0.540 168 E N 2.536 122.362 120.200 -0.624 0.000 2.053 168 E HA 0.122 4.472 4.350 -0.000 0.000 0.297 168 E C 0.440 176.870 176.600 -0.283 0.000 1.173 168 E CA 0.177 56.342 56.400 -0.393 0.000 1.219 168 E CB -0.257 29.411 29.700 -0.053 0.000 1.103 168 E HN 0.691 nan 8.360 nan 0.000 0.476 169 T N -1.143 113.166 114.554 -0.408 0.000 2.884 169 T HA 0.121 4.471 4.350 -0.000 0.000 0.298 169 T C 1.203 175.855 174.700 -0.081 0.000 0.998 169 T CA -0.647 61.292 62.100 -0.268 0.000 1.124 169 T CB 1.632 70.365 68.868 -0.226 0.000 0.931 169 T HN 0.116 nan 8.240 nan 0.000 0.531 170 T N 2.425 116.960 114.554 -0.031 0.000 2.735 170 T HA 0.081 4.431 4.350 -0.000 0.000 0.256 170 T C 1.052 175.735 174.700 -0.029 0.000 1.042 170 T CA 0.515 62.610 62.100 -0.008 0.000 1.147 170 T CB -0.129 68.746 68.868 0.012 0.000 0.865 170 T HN 0.476 nan 8.240 nan 0.000 0.421 171 R N 2.011 122.486 120.500 -0.043 0.000 2.679 171 R HA 0.184 4.524 4.340 -0.000 0.000 0.269 171 R C 0.284 176.525 176.300 -0.100 0.000 1.076 171 R CA -0.021 56.044 56.100 -0.059 0.000 1.160 171 R CB 0.223 30.492 30.300 -0.051 0.000 1.054 171 R HN 0.186 nan 8.270 nan 0.000 0.507 172 D N 1.183 121.524 120.400 -0.099 0.000 2.336 172 D HA 0.066 4.706 4.640 -0.000 0.000 0.228 172 D C -0.485 175.713 176.300 -0.170 0.000 1.120 172 D CA 0.429 54.352 54.000 -0.129 0.000 0.839 172 D CB 0.182 40.929 40.800 -0.089 0.000 0.932 172 D HN -0.030 nan 8.370 nan 0.000 0.509 173 L N 1.058 122.178 121.223 -0.172 0.000 2.529 173 L HA 0.221 4.561 4.340 -0.000 0.000 0.260 173 L C -1.087 175.668 176.870 -0.192 0.000 0.997 173 L CA -0.694 54.039 54.840 -0.178 0.000 0.885 173 L CB 1.918 43.906 42.059 -0.119 0.000 1.185 173 L HN -0.326 nan 8.230 nan 0.000 0.442 174 V N 4.985 124.735 119.914 -0.273 0.000 2.333 174 V HA 0.353 4.473 4.120 -0.000 0.000 0.274 174 V C 0.137 176.174 176.094 -0.095 0.000 1.028 174 V CA -0.752 61.428 62.300 -0.201 0.000 0.851 174 V CB 1.573 33.238 31.823 -0.262 0.000 1.000 174 V HN 0.339 nan 8.190 nan 0.000 0.456 175 V N 6.629 126.478 119.914 -0.109 0.000 2.387 175 V HA 0.160 4.280 4.120 -0.000 0.000 0.260 175 V C 0.222 176.281 176.094 -0.058 0.000 1.054 175 V CA -0.095 62.141 62.300 -0.107 0.000 0.967 175 V CB 1.343 33.045 31.823 -0.202 0.000 1.036 175 V HN 0.641 nan 8.190 nan 0.000 0.481 176 V N 5.312 125.244 119.914 0.031 0.000 2.348 176 V HA 0.478 4.598 4.120 -0.000 0.000 0.270 176 V C 0.371 176.510 176.094 0.075 0.000 1.037 176 V CA 0.105 62.448 62.300 0.071 0.000 0.872 176 V CB 1.249 33.159 31.823 0.144 0.000 1.002 176 V HN 0.908 nan 8.190 nan 0.000 0.464 177 T N 3.372 117.960 114.554 0.057 0.000 2.831 177 T HA 0.921 5.271 4.350 -0.000 0.000 0.287 177 T C -0.899 173.851 174.700 0.083 0.000 1.070 177 T CA 0.175 62.328 62.100 0.088 0.000 1.010 177 T CB 2.052 70.987 68.868 0.110 0.000 1.264 177 T HN 1.077 nan 8.240 nan 0.000 0.532 178 A N 1.342 124.214 122.820 0.086 0.000 2.608 178 A HA 0.715 5.035 4.320 -0.000 0.000 0.292 178 A C -2.393 175.188 177.584 -0.005 0.000 1.066 178 A CA -1.063 51.002 52.037 0.047 0.000 0.676 178 A CB 0.426 19.458 19.000 0.053 0.000 1.277 178 A HN 0.578 nan 8.150 nan 0.000 0.413 179 P HA 0.059 nan 4.420 nan 0.000 0.216 179 P C 0.837 177.937 177.300 -0.332 0.000 1.153 179 P CA 2.192 65.090 63.100 -0.336 0.000 0.858 179 P CB 0.199 31.454 31.700 -0.741 0.000 0.789 180 G N -2.959 105.726 108.800 -0.191 0.000 2.606 180 G HA2 0.481 4.441 3.960 -0.000 0.000 0.300 180 G HA3 0.481 4.441 3.960 -0.000 0.000 0.300 180 G C -3.262 171.730 174.900 0.155 0.000 1.360 180 G CA -0.908 44.228 45.100 0.059 0.000 0.783 180 G HN -0.277 nan 8.290 nan 0.000 0.484 181 P HA 0.401 nan 4.420 nan 0.000 0.272 181 P C 0.856 178.240 177.300 0.141 0.000 1.223 181 P CA 1.443 64.630 63.100 0.145 0.000 0.784 181 P CB 1.016 32.794 31.700 0.129 0.000 0.923 182 G N 0.843 109.707 108.800 0.108 0.000 2.148 182 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 182 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 182 G C 0.892 175.837 174.900 0.076 0.000 0.981 182 G CA 0.398 45.543 45.100 0.075 0.000 0.670 182 G HN 0.466 nan 8.290 nan 0.000 0.528 183 S N -0.177 115.582 115.700 0.099 0.000 2.593 183 S HA 0.390 4.860 4.470 -0.000 0.000 0.217 183 S C 1.973 176.612 174.600 0.064 0.000 0.966 183 S CA 1.100 59.354 58.200 0.090 0.000 0.914 183 S CB 0.127 63.388 63.200 0.102 0.000 0.776 183 S HN 2.192 nan 8.310 nan 0.000 0.523 184 G N 2.847 111.683 108.800 0.061 0.000 2.225 184 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.264 184 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.264 184 G C 0.669 175.603 174.900 0.057 0.000 1.060 184 G CA 0.619 45.753 45.100 0.056 0.000 0.833 184 G HN 0.607 nan 8.290 nan 0.000 0.498 185 K N -0.936 119.506 120.400 0.069 0.000 2.148 185 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 185 K C 2.398 179.047 176.600 0.082 0.000 1.050 185 K CA 1.244 57.577 56.287 0.076 0.000 0.942 185 K CB -0.047 32.516 32.500 0.104 0.000 0.724 185 K HN 0.544 nan 8.250 nan 0.000 0.446 186 L N 1.930 123.198 121.223 0.075 0.000 2.017 186 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 186 L C 2.462 179.299 176.870 -0.054 0.000 1.073 186 L CA 1.957 56.790 54.840 -0.011 0.000 0.745 186 L CB -0.699 41.347 42.059 -0.021 0.000 0.894 186 L HN 0.240 nan 8.230 nan 0.000 0.432 187 A N -1.509 121.327 122.820 0.027 0.000 2.015 187 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 187 A C 2.191 179.819 177.584 0.074 0.000 1.163 187 A CA 2.012 54.110 52.037 0.102 0.000 0.646 187 A CB -1.136 17.958 19.000 0.158 0.000 0.806 187 A HN 0.565 nan 8.150 nan 0.000 0.448 188 T N -0.576 113.993 114.554 0.025 0.000 2.737 188 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 188 T C 1.937 176.562 174.700 -0.125 0.000 1.038 188 T CA 1.557 63.633 62.100 -0.041 0.000 1.144 188 T CB -0.783 68.022 68.868 -0.104 0.000 0.866 188 T HN 0.584 nan 8.240 nan 0.000 0.434 189 C N 1.305 120.546 119.300 -0.098 0.000 2.413 189 C HA -0.007 4.453 4.460 -0.000 0.000 0.276 189 C C 2.744 177.610 174.990 -0.206 0.000 1.236 189 C CA 0.486 59.429 59.018 -0.125 0.000 1.735 189 C CB -1.541 26.301 27.740 0.170 0.000 2.031 189 C HN 0.500 nan 8.230 nan 0.000 0.474 190 L N 0.738 121.850 121.223 -0.186 0.000 2.131 190 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 190 L C 2.742 179.263 176.870 -0.583 0.000 1.092 190 L CA 1.682 56.413 54.840 -0.182 0.000 0.759 190 L CB -0.673 41.404 42.059 0.029 0.000 0.903 190 L HN 0.395 nan 8.230 nan 0.000 0.435 191 S N -0.906 114.233 115.700 -0.935 0.000 2.371 191 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 191 S C 2.060 176.408 174.600 -0.420 0.000 1.029 191 S CA 0.910 58.339 58.200 -1.285 0.000 0.978 191 S CB -0.022 62.748 63.200 -0.717 0.000 0.833 191 S HN 0.375 nan 8.310 nan 0.000 0.466 192 Q N 0.599 120.241 119.800 -0.264 0.000 2.119 192 Q HA -0.012 4.328 4.340 -0.000 0.000 0.201 192 Q C 2.379 178.313 176.000 -0.110 0.000 0.972 192 Q CA 1.156 56.837 55.803 -0.204 0.000 0.847 192 Q CB -0.678 27.540 28.738 -0.867 0.000 0.903 192 Q HN 0.496 nan 8.270 nan 0.000 0.433 193 V N 0.365 120.209 119.914 -0.116 0.000 2.427 193 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 193 V C 2.052 178.257 176.094 0.186 0.000 1.051 193 V CA 1.681 64.065 62.300 0.139 0.000 1.048 193 V CB -0.738 31.188 31.823 0.172 0.000 0.666 193 V HN 0.310 nan 8.190 nan 0.000 0.456 194 Y N 0.462 120.692 120.300 -0.117 0.000 2.145 194 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 194 Y C 2.709 178.531 175.900 -0.130 0.000 1.145 194 Y CA 2.081 60.096 58.100 -0.141 0.000 1.148 194 Y CB -0.337 37.971 38.460 -0.254 0.000 0.981 194 Y HN 0.336 nan 8.280 nan 0.000 0.507 195 H N 0.128 119.153 119.070 -0.075 0.000 2.423 195 H HA -0.066 4.490 4.556 -0.000 0.000 0.297 195 H C 1.923 177.008 175.328 -0.405 0.000 1.075 195 H CA 1.705 57.603 56.048 -0.251 0.000 1.342 195 H CB 0.087 29.752 29.762 -0.163 0.000 1.395 195 H HN 0.594 nan 8.280 nan 0.000 0.530 196 E N -0.366 119.756 120.200 -0.130 0.000 2.170 196 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 196 E C 1.789 178.296 176.600 -0.155 0.000 0.981 196 E CA 0.195 56.501 56.400 -0.157 0.000 0.830 196 E CB 0.054 29.761 29.700 0.012 0.000 0.775 196 E HN 0.559 nan 8.360 nan 0.000 0.470 197 H N 0.712 119.696 119.070 -0.144 0.000 2.457 197 H HA -0.002 4.554 4.556 -0.000 0.000 0.294 197 H C 1.776 176.990 175.328 -0.191 0.000 1.064 197 H CA 1.011 56.975 56.048 -0.141 0.000 1.330 197 H CB 0.340 30.027 29.762 -0.125 0.000 1.395 197 H HN -0.128 nan 8.280 nan 0.000 0.541 198 K N 0.285 120.580 120.400 -0.176 0.000 2.296 198 K HA 0.047 4.367 4.320 -0.000 0.000 0.200 198 K C 1.485 177.997 176.600 -0.147 0.000 1.048 198 K CA 0.612 56.778 56.287 -0.203 0.000 0.966 198 K CB 0.227 32.541 32.500 -0.309 0.000 0.754 198 K HN 0.339 nan 8.250 nan 0.000 0.466 199 R N -0.624 119.778 120.500 -0.163 0.000 2.317 199 R HA 0.050 4.390 4.340 -0.000 0.000 0.208 199 R C 0.993 177.229 176.300 -0.108 0.000 0.914 199 R CA 0.555 56.571 56.100 -0.141 0.000 1.060 199 R CB 0.466 30.651 30.300 -0.192 0.000 1.015 199 R HN 0.340 nan 8.270 nan 0.000 0.498 200 G N 0.488 109.220 108.800 -0.112 0.000 2.258 200 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.233 200 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.233 200 G C 0.227 175.048 174.900 -0.133 0.000 1.006 200 G CA -0.014 45.027 45.100 -0.099 0.000 0.620 200 G HN 0.120 nan 8.290 nan 0.000 0.511 201 V N 2.216 122.041 119.914 -0.149 0.000 2.508 201 V HA 0.583 4.703 4.120 -0.000 0.000 0.281 201 V C 1.096 177.020 176.094 -0.284 0.000 1.041 201 V CA -0.086 62.123 62.300 -0.152 0.000 1.016 201 V CB 0.996 32.768 31.823 -0.085 0.000 0.984 201 V HN 1.232 nan 8.190 nan 0.000 0.478 202 A N 4.703 127.368 122.820 -0.258 0.000 2.451 202 A HA 0.700 5.020 4.320 -0.000 0.000 0.266 202 A C 0.437 177.906 177.584 -0.190 0.000 1.119 202 A CA 0.368 52.203 52.037 -0.338 0.000 0.786 202 A CB 0.060 18.965 19.000 -0.158 0.000 1.061 202 A HN 1.395 nan 8.150 nan 0.000 0.503 203 A N 2.049 124.774 122.820 -0.159 0.000 2.479 203 A HA 0.982 5.302 4.320 -0.000 0.000 0.296 203 A C 0.110 177.848 177.584 0.256 0.000 1.121 203 A CA -0.091 52.017 52.037 0.118 0.000 0.743 203 A CB 1.712 20.863 19.000 0.252 0.000 1.323 203 A HN 2.054 nan 8.150 nan 0.000 0.415 204 G N -1.465 107.492 108.800 0.262 0.000 2.687 204 G HA2 0.567 4.527 3.960 -0.000 0.000 0.291 204 G HA3 0.567 4.527 3.960 -0.000 0.000 0.291 204 G C -2.046 173.066 174.900 0.354 0.000 1.420 204 G CA -0.393 44.864 45.100 0.262 0.000 0.796 204 G HN 1.346 nan 8.290 nan 0.000 0.485 205 Y N 0.034 120.469 120.300 0.224 0.000 2.499 205 Y HA 0.789 5.339 4.550 -0.000 0.000 0.347 205 Y C -0.289 175.791 175.900 0.300 0.000 0.987 205 Y CA -0.535 57.716 58.100 0.252 0.000 1.044 205 Y CB 2.071 40.668 38.460 0.228 0.000 1.245 205 Y HN 1.043 nan 8.280 nan 0.000 0.461 206 A N 5.096 127.485 122.820 -0.718 0.000 2.587 206 A HA 0.661 4.981 4.320 -0.000 0.000 0.293 206 A C -1.895 175.167 177.584 -0.871 0.000 1.087 206 A CA -1.111 50.509 52.037 -0.696 0.000 0.692 206 A CB 1.798 20.669 19.000 -0.215 0.000 1.291 206 A HN 0.715 nan 8.150 nan 0.000 0.407 207 K N 0.576 120.679 120.400 -0.495 0.000 2.244 207 K HA 0.635 4.955 4.320 -0.000 0.000 0.260 207 K C -1.814 174.795 176.600 0.016 0.000 0.951 207 K CA -0.404 55.787 56.287 -0.159 0.000 0.826 207 K CB 1.072 33.566 32.500 -0.011 0.000 1.108 207 K HN 0.591 nan 8.250 nan 0.000 0.433 208 F N 4.425 124.351 119.950 -0.041 0.000 2.444 208 F HA 0.352 4.879 4.527 -0.000 0.000 0.342 208 F C -1.075 174.738 175.800 0.021 0.000 1.121 208 F CA -0.164 57.832 58.000 -0.007 0.000 0.997 208 F CB 1.063 40.064 39.000 0.001 0.000 1.130 208 F HN 0.660 nan 8.300 nan 0.000 0.454 209 E N 2.288 122.074 120.200 -0.689 0.000 2.390 209 E HA 0.316 4.666 4.350 -0.000 0.000 0.280 209 E C -1.121 175.015 176.600 -0.773 0.000 0.992 209 E CA -0.925 55.106 56.400 -0.615 0.000 0.790 209 E CB 1.766 31.318 29.700 -0.247 0.000 1.248 209 E HN 0.410 nan 8.360 nan 0.000 0.447 210 T N 0.340 114.452 114.554 -0.738 0.000 2.901 210 T HA 0.182 4.532 4.350 -0.000 0.000 0.252 210 T C -0.050 174.034 174.700 -1.026 0.000 1.035 210 T CA 0.791 62.336 62.100 -0.924 0.000 1.142 210 T CB -0.167 67.999 68.868 -1.170 0.000 0.869 210 T HN 0.348 nan 8.240 nan 0.000 0.442 211 F N 1.959 121.579 119.950 -0.551 0.000 2.532 211 F HA 0.485 5.012 4.527 -0.000 0.000 0.321 211 F C -2.338 172.964 175.800 -0.831 0.000 1.089 211 F CA -2.825 54.745 58.000 -0.718 0.000 0.926 211 F CB 1.470 39.856 39.000 -1.022 0.000 1.168 211 F HN -0.171 nan 8.300 nan 0.000 0.459 212 P HA 0.238 nan 4.420 nan 0.000 0.274 212 P C -0.614 176.695 177.300 0.015 0.000 1.246 212 P CA -0.156 62.938 63.100 -0.010 0.000 0.795 212 P CB 1.302 33.057 31.700 0.092 0.000 1.006 213 I N 2.425 123.017 120.570 0.038 0.000 2.312 213 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 213 I C 1.961 178.045 176.117 -0.055 0.000 1.031 213 I CA -0.651 60.622 61.300 -0.044 0.000 1.293 213 I CB 0.461 38.390 38.000 -0.119 0.000 1.403 213 I HN 0.583 nan 8.210 nan 0.000 0.484 214 W N 7.215 128.466 121.300 -0.082 0.000 2.342 214 W HA -0.203 4.457 4.660 -0.000 0.000 0.297 214 W C 1.038 177.501 176.519 -0.093 0.000 1.213 214 W CA 1.283 58.575 57.345 -0.089 0.000 1.251 214 W CB -0.920 28.467 29.460 -0.123 0.000 1.136 214 W HN 0.641 nan 8.180 nan 0.000 0.526 215 N N 1.100 119.206 118.700 -0.990 0.000 2.295 215 N HA 0.160 4.900 4.740 -0.000 0.000 0.221 215 N C -0.243 174.976 175.510 -0.484 0.000 1.129 215 N CA 0.189 52.700 53.050 -0.897 0.000 0.836 215 N CB -0.702 36.883 38.487 -1.502 0.000 1.040 215 N HN 0.201 nan 8.380 nan 0.000 0.494 216 L N 0.146 121.160 121.223 -0.349 0.000 2.334 216 L HA 0.548 4.888 4.340 -0.000 0.000 0.273 216 L C -2.258 174.545 176.870 -0.111 0.000 1.013 216 L CA -2.363 52.310 54.840 -0.279 0.000 0.816 216 L CB 1.892 43.686 42.059 -0.442 0.000 1.278 216 L HN -0.205 nan 8.230 nan 0.000 0.431 217 P HA -0.048 nan 4.420 nan 0.000 0.267 217 P C 0.686 178.030 177.300 0.074 0.000 1.201 217 P CA 0.013 63.142 63.100 0.049 0.000 0.775 217 P CB 0.718 32.473 31.700 0.091 0.000 0.854 218 L N 2.510 123.773 121.223 0.066 0.000 2.013 218 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 218 L C 1.451 178.367 176.870 0.077 0.000 1.073 218 L CA 1.900 56.783 54.840 0.073 0.000 0.753 218 L CB -0.304 41.794 42.059 0.065 0.000 0.890 218 L HN 0.403 nan 8.230 nan 0.000 0.432 219 E N -1.087 119.152 120.200 0.066 0.000 2.368 219 E HA -0.038 4.312 4.350 -0.000 0.000 0.188 219 E C -0.222 176.408 176.600 0.050 0.000 1.061 219 E CA -0.245 56.182 56.400 0.045 0.000 0.933 219 E CB -0.229 29.482 29.700 0.017 0.000 1.091 219 E HN 0.423 nan 8.360 nan 0.000 0.458 220 H N 1.135 120.202 119.070 -0.005 0.000 2.764 220 H HA 0.033 4.589 4.556 -0.000 0.000 0.341 220 H C -1.766 173.552 175.328 -0.017 0.000 1.072 220 H CA -1.712 54.329 56.048 -0.012 0.000 1.444 220 H CB 1.426 31.179 29.762 -0.014 0.000 1.458 220 H HN -0.099 nan 8.280 nan 0.000 0.572 221 P HA -0.215 nan 4.420 nan 0.000 0.217 221 P C 1.671 178.996 177.300 0.042 0.000 1.148 221 P CA 0.955 64.001 63.100 -0.091 0.000 0.834 221 P CB 0.315 31.899 31.700 -0.193 0.000 0.783 222 V N -0.240 119.827 119.914 0.255 0.000 2.307 222 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 222 V C 2.178 178.298 176.094 0.043 0.000 1.045 222 V CA 2.037 64.408 62.300 0.119 0.000 1.024 222 V CB -1.160 30.756 31.823 0.156 0.000 0.651 222 V HN 0.127 nan 8.190 nan 0.000 0.449 223 N N 0.098 118.869 118.700 0.118 0.000 2.106 223 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 223 N C 1.623 177.186 175.510 0.089 0.000 1.029 223 N CA 1.078 54.190 53.050 0.104 0.000 0.848 223 N CB -0.539 38.013 38.487 0.109 0.000 1.007 223 N HN 0.224 nan 8.380 nan 0.000 0.423 224 L N 1.321 122.580 121.223 0.061 0.000 2.079 224 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 224 L C 2.219 179.089 176.870 -0.000 0.000 1.081 224 L CA 1.241 56.093 54.840 0.021 0.000 0.752 224 L CB -1.299 40.757 42.059 -0.005 0.000 0.896 224 L HN 0.123 nan 8.230 nan 0.000 0.433 225 A N -2.076 120.740 122.820 -0.006 0.000 1.972 225 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 225 A C 2.271 179.873 177.584 0.029 0.000 1.169 225 A CA 1.423 53.458 52.037 -0.004 0.000 0.635 225 A CB -0.866 18.100 19.000 -0.057 0.000 0.810 225 A HN 0.477 nan 8.150 nan 0.000 0.446 226 Y N 0.683 120.891 120.300 -0.153 0.000 2.263 226 Y HA -0.109 4.441 4.550 -0.000 0.000 0.292 226 Y C 2.210 178.006 175.900 -0.173 0.000 1.130 226 Y CA 1.850 59.808 58.100 -0.236 0.000 1.179 226 Y CB -0.214 38.120 38.460 -0.210 0.000 0.998 226 Y HN 0.475 nan 8.280 nan 0.000 0.532 227 E N -0.383 119.751 120.200 -0.110 0.000 2.110 227 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 227 E C 2.262 178.760 176.600 -0.171 0.000 0.988 227 E CA 0.905 57.215 56.400 -0.151 0.000 0.804 227 E CB -0.274 29.401 29.700 -0.041 0.000 0.745 227 E HN 0.516 nan 8.360 nan 0.000 0.458 228 A N 1.010 123.756 122.820 -0.124 0.000 2.070 228 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 228 A C 2.105 179.607 177.584 -0.136 0.000 1.159 228 A CA 1.379 53.358 52.037 -0.097 0.000 0.656 228 A CB -0.182 18.787 19.000 -0.050 0.000 0.800 228 A HN 0.242 nan 8.150 nan 0.000 0.453 229 A N -0.831 121.839 122.820 -0.250 0.000 2.345 229 A HA 0.434 4.754 4.320 -0.000 0.000 0.225 229 A C 0.597 177.975 177.584 -0.343 0.000 1.243 229 A CA 0.589 52.439 52.037 -0.312 0.000 0.875 229 A CB -0.167 18.516 19.000 -0.528 0.000 0.929 229 A HN 0.292 nan 8.150 nan 0.000 0.502 230 T N -1.514 112.848 114.554 -0.320 0.000 2.863 230 T HA 0.363 4.713 4.350 -0.000 0.000 0.285 230 T C 0.722 175.329 174.700 -0.156 0.000 1.009 230 T CA -0.158 61.776 62.100 -0.277 0.000 0.989 230 T CB 1.903 70.546 68.868 -0.376 0.000 1.004 230 T HN 0.064 nan 8.240 nan 0.000 0.455 231 V N 0.547 120.396 119.914 -0.110 0.000 2.725 231 V HA 0.067 4.187 4.120 -0.000 0.000 0.247 231 V C 0.607 176.673 176.094 -0.046 0.000 1.058 231 V CA 1.176 63.437 62.300 -0.065 0.000 1.080 231 V CB -0.162 31.634 31.823 -0.045 0.000 0.713 231 V HN 0.924 nan 8.190 nan 0.000 0.465 232 D N -0.200 120.174 120.400 -0.045 0.000 2.382 232 D HA 0.029 4.669 4.640 -0.000 0.000 0.245 232 D C 0.936 177.229 176.300 -0.012 0.000 1.120 232 D CA 0.450 54.439 54.000 -0.018 0.000 0.890 232 D CB 1.355 42.154 40.800 -0.001 0.000 1.201 232 D HN 0.256 nan 8.370 nan 0.000 0.433 233 L N 3.784 125.008 121.223 0.002 0.000 2.093 233 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 233 L C 0.965 177.849 176.870 0.024 0.000 1.085 233 L CA 1.144 55.989 54.840 0.008 0.000 0.755 233 L CB -0.124 41.941 42.059 0.010 0.000 0.904 233 L HN 0.327 nan 8.230 nan 0.000 0.435 234 N N -0.094 118.628 118.700 0.038 0.000 2.575 234 N HA 0.038 4.778 4.740 -0.000 0.000 0.275 234 N C -0.818 174.748 175.510 0.095 0.000 1.202 234 N CA 0.061 53.149 53.050 0.063 0.000 0.945 234 N CB 0.046 38.571 38.487 0.064 0.000 1.247 234 N HN 0.284 nan 8.380 nan 0.000 0.510 235 D N -0.444 120.002 120.400 0.077 0.000 2.720 235 D HA 0.276 4.916 4.640 -0.000 0.000 0.285 235 D C -0.524 175.831 176.300 0.092 0.000 1.359 235 D CA -0.177 53.883 54.000 0.099 0.000 0.818 235 D CB 0.586 41.394 40.800 0.013 0.000 1.108 235 D HN 0.312 nan 8.370 nan 0.000 0.474 236 A N 0.542 123.429 122.820 0.112 0.000 2.322 236 A HA 0.456 4.776 4.320 -0.000 0.000 0.269 236 A C 0.384 178.074 177.584 0.177 0.000 1.094 236 A CA -0.586 51.515 52.037 0.105 0.000 0.807 236 A CB 0.495 19.541 19.000 0.076 0.000 1.047 236 A HN 0.104 nan 8.150 nan 0.000 0.487 237 N N 0.047 118.845 118.700 0.163 0.000 2.530 237 N HA 0.417 5.157 4.740 -0.000 0.000 0.273 237 N C -0.107 175.494 175.510 0.151 0.000 1.173 237 N CA 0.042 53.208 53.050 0.194 0.000 0.967 237 N CB 1.366 39.953 38.487 0.166 0.000 1.109 237 N HN 0.643 nan 8.380 nan 0.000 0.453 238 V N -1.228 118.783 119.914 0.161 0.000 3.141 238 V HA 0.590 4.710 4.120 -0.000 0.000 0.312 238 V C 0.208 176.377 176.094 0.125 0.000 1.157 238 V CA -1.156 61.221 62.300 0.128 0.000 1.041 238 V CB 1.359 33.261 31.823 0.133 0.000 1.071 238 V HN 0.436 nan 8.190 nan 0.000 0.441 239 I N 1.827 122.464 120.570 0.111 0.000 2.556 239 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 239 I C 0.245 176.441 176.117 0.132 0.000 1.114 239 I CA 0.240 61.606 61.300 0.110 0.000 1.418 239 I CB 0.523 38.580 38.000 0.094 0.000 1.394 239 I HN 0.722 nan 8.210 nan 0.000 0.552 240 D N 6.138 126.602 120.400 0.107 0.000 2.398 240 D HA -0.033 4.607 4.640 -0.000 0.000 0.250 240 D C 1.276 177.612 176.300 0.060 0.000 1.287 240 D CA 0.068 54.111 54.000 0.072 0.000 0.992 240 D CB 0.348 41.188 40.800 0.066 0.000 1.071 240 D HN 0.547 nan 8.370 nan 0.000 0.514 241 H N 1.688 120.723 119.070 -0.059 0.000 2.457 241 H HA -0.060 4.496 4.556 -0.000 0.000 0.294 241 H C 1.340 176.575 175.328 -0.156 0.000 1.064 241 H CA 0.933 56.894 56.048 -0.146 0.000 1.330 241 H CB -0.343 29.265 29.762 -0.256 0.000 1.395 241 H HN 0.275 nan 8.280 nan 0.000 0.541 242 F N 0.572 120.315 119.950 -0.345 0.000 2.134 242 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 242 F C 2.637 178.398 175.800 -0.065 0.000 1.097 242 F CA 1.714 59.600 58.000 -0.190 0.000 1.264 242 F CB -0.751 38.074 39.000 -0.292 0.000 1.001 242 F HN 0.310 nan 8.300 nan 0.000 0.479 243 H N -0.684 118.447 119.070 0.100 0.000 2.423 243 H HA -0.102 4.454 4.556 -0.000 0.000 0.297 243 H C 2.048 177.471 175.328 0.159 0.000 1.075 243 H CA 1.046 57.199 56.048 0.175 0.000 1.342 243 H CB -0.079 29.781 29.762 0.164 0.000 1.395 243 H HN 0.109 nan 8.280 nan 0.000 0.530 244 L N 0.095 121.448 121.223 0.216 0.000 2.056 244 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 244 L C 2.237 179.150 176.870 0.072 0.000 1.078 244 L CA 1.870 56.802 54.840 0.152 0.000 0.749 244 L CB -0.988 41.148 42.059 0.128 0.000 0.901 244 L HN 0.316 nan 8.230 nan 0.000 0.433 245 A N -1.374 121.467 122.820 0.034 0.000 2.067 245 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 245 A C 2.270 179.812 177.584 -0.070 0.000 1.156 245 A CA 1.141 53.178 52.037 0.001 0.000 0.683 245 A CB -0.603 18.408 19.000 0.018 0.000 0.808 245 A HN 0.491 nan 8.150 nan 0.000 0.455 246 A N -1.456 121.259 122.820 -0.175 0.000 1.871 246 A HA 0.250 4.570 4.320 -0.000 0.000 0.211 246 A C 1.791 179.057 177.584 -0.529 0.000 1.207 246 A CA 1.163 52.929 52.037 -0.452 0.000 0.620 246 A CB -0.365 18.171 19.000 -0.773 0.000 0.860 246 A HN 0.492 nan 8.150 nan 0.000 0.450 247 Y N -1.560 118.679 120.300 -0.101 0.000 2.462 247 Y HA 0.397 4.947 4.550 -0.000 0.000 0.253 247 Y C 1.879 177.785 175.900 0.010 0.000 1.095 247 Y CA -0.005 58.049 58.100 -0.077 0.000 1.283 247 Y CB 0.261 38.609 38.460 -0.187 0.000 1.138 247 Y HN 0.455 nan 8.280 nan 0.000 0.522 248 G N 0.838 109.727 108.800 0.149 0.000 2.176 248 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 248 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 248 G C 0.012 175.012 174.900 0.167 0.000 0.979 248 G CA 0.287 45.465 45.100 0.131 0.000 0.641 248 G HN 0.480 nan 8.290 nan 0.000 0.530 249 E N 0.381 120.732 120.200 0.252 0.000 2.204 249 E HA 0.668 5.018 4.350 -0.000 0.000 0.276 249 E C -0.152 176.609 176.600 0.269 0.000 0.974 249 E CA -0.938 55.612 56.400 0.250 0.000 0.815 249 E CB 1.092 30.955 29.700 0.272 0.000 1.119 249 E HN 0.370 nan 8.360 nan 0.000 0.393 250 Q N 1.700 121.604 119.800 0.174 0.000 2.288 250 Q HA 0.290 4.630 4.340 -0.000 0.000 0.258 250 Q C -0.784 175.288 176.000 0.119 0.000 0.957 250 Q CA 0.002 55.888 55.803 0.137 0.000 0.919 250 Q CB 1.513 30.307 28.738 0.093 0.000 1.185 250 Q HN 0.593 nan 8.270 nan 0.000 0.408 251 T N 0.287 114.907 114.554 0.110 0.000 2.896 251 T HA 0.528 4.878 4.350 -0.000 0.000 0.297 251 T C -0.721 174.035 174.700 0.094 0.000 1.108 251 T CA -0.714 61.437 62.100 0.086 0.000 1.004 251 T CB 1.499 70.335 68.868 -0.053 0.000 1.159 251 T HN 0.248 nan 8.240 nan 0.000 0.499 252 V N 2.255 122.239 119.914 0.117 0.000 2.417 252 V HA 0.591 4.711 4.120 -0.000 0.000 0.291 252 V C -0.013 176.172 176.094 0.151 0.000 1.024 252 V CA -0.538 61.836 62.300 0.123 0.000 0.861 252 V CB 1.349 33.236 31.823 0.105 0.000 0.985 252 V HN 0.908 nan 8.190 nan 0.000 0.436 253 N N 2.025 120.814 118.700 0.149 0.000 3.512 253 N HA 0.702 5.442 4.740 -0.000 0.000 0.360 253 N C -1.402 174.287 175.510 0.297 0.000 1.593 253 N CA -0.498 52.669 53.050 0.195 0.000 0.672 253 N CB 1.654 40.170 38.487 0.049 0.000 2.105 253 N HN 0.631 nan 8.380 nan 0.000 0.645 254 Y N -1.527 118.832 120.300 0.099 0.000 2.638 254 Y HA 0.547 5.097 4.550 -0.000 0.000 0.339 254 Y C 0.768 176.741 175.900 0.122 0.000 1.084 254 Y CA -1.039 57.131 58.100 0.117 0.000 1.068 254 Y CB 0.302 38.846 38.460 0.140 0.000 1.294 254 Y HN 0.509 nan 8.280 nan 0.000 0.480 255 N N 0.391 119.229 118.700 0.229 0.000 2.021 255 N HA -0.293 4.447 4.740 -0.000 0.000 0.198 255 N C 1.960 177.510 175.510 0.067 0.000 1.041 255 N CA 2.449 55.584 53.050 0.142 0.000 0.862 255 N CB -0.161 38.420 38.487 0.156 0.000 1.048 255 N HN 0.752 nan 8.380 nan 0.000 0.427 256 R N 0.629 121.189 120.500 0.100 0.000 2.096 256 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 256 R C 0.890 177.132 176.300 -0.097 0.000 1.139 256 R CA 2.155 58.287 56.100 0.053 0.000 0.952 256 R CB -0.100 30.336 30.300 0.226 0.000 0.854 256 R HN 0.274 nan 8.270 nan 0.000 0.436 257 D N -0.563 119.581 120.400 -0.425 0.000 2.213 257 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 257 D C 1.909 178.152 176.300 -0.095 0.000 0.961 257 D CA 0.672 54.484 54.000 -0.313 0.000 0.853 257 D CB 0.009 40.470 40.800 -0.566 0.000 0.967 257 D HN 0.061 nan 8.370 nan 0.000 0.496 258 V N 1.425 121.303 119.914 -0.059 0.000 2.343 258 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 258 V C 2.338 178.622 176.094 0.317 0.000 1.051 258 V CA 1.511 63.925 62.300 0.189 0.000 1.036 258 V CB -0.247 31.701 31.823 0.209 0.000 0.654 258 V HN 0.196 nan 8.190 nan 0.000 0.451 259 E N 0.251 120.568 120.200 0.195 0.000 2.085 259 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 259 E C 2.178 178.872 176.600 0.157 0.000 0.994 259 E CA 1.630 58.139 56.400 0.183 0.000 0.801 259 E CB -0.302 29.470 29.700 0.119 0.000 0.743 259 E HN 0.583 nan 8.360 nan 0.000 0.453 260 A N 0.217 123.103 122.820 0.111 0.000 2.208 260 A HA -0.041 4.279 4.320 -0.000 0.000 0.209 260 A C 1.741 179.362 177.584 0.062 0.000 1.161 260 A CA 0.035 52.116 52.037 0.074 0.000 0.782 260 A CB -0.485 18.547 19.000 0.053 0.000 0.816 260 A HN 0.201 nan 8.150 nan 0.000 0.477 261 F N 1.823 121.719 119.950 -0.090 0.000 2.102 261 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 261 F C -0.856 174.797 175.800 -0.245 0.000 1.105 261 F CA 1.556 59.413 58.000 -0.239 0.000 1.239 261 F CB -0.845 37.842 39.000 -0.521 0.000 0.991 261 F HN 0.168 nan 8.300 nan 0.000 0.474 262 P HA -0.117 nan 4.420 nan 0.000 0.219 262 P C 2.006 179.152 177.300 -0.256 0.000 1.150 262 P CA 1.470 64.388 63.100 -0.304 0.000 0.814 262 P CB -0.072 31.629 31.700 0.002 0.000 0.787 263 L N -1.569 119.557 121.223 -0.163 0.000 2.156 263 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 263 L C 2.367 179.138 176.870 -0.165 0.000 1.095 263 L CA 0.845 55.610 54.840 -0.126 0.000 0.770 263 L CB -0.610 41.412 42.059 -0.061 0.000 0.914 263 L HN -0.042 nan 8.230 nan 0.000 0.439 264 L N -0.326 120.770 121.223 -0.212 0.000 2.156 264 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 264 L C 2.648 179.353 176.870 -0.276 0.000 1.095 264 L CA 1.206 55.929 54.840 -0.196 0.000 0.770 264 L CB -0.150 41.834 42.059 -0.126 0.000 0.914 264 L HN 0.178 nan 8.230 nan 0.000 0.439 265 K N -0.976 119.115 120.400 -0.515 0.000 2.062 265 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 265 K C 1.808 178.257 176.600 -0.253 0.000 1.051 265 K CA 1.786 57.768 56.287 -0.508 0.000 0.941 265 K CB 0.029 32.028 32.500 -0.836 0.000 0.719 265 K HN 0.324 nan 8.250 nan 0.000 0.440 266 T N 1.755 116.180 114.554 -0.214 0.000 2.867 266 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 266 T C 1.642 176.277 174.700 -0.109 0.000 1.057 266 T CA 0.625 62.644 62.100 -0.135 0.000 1.136 266 T CB -0.089 68.711 68.868 -0.114 0.000 0.874 266 T HN 0.076 nan 8.240 nan 0.000 0.466 267 L N 0.667 121.822 121.223 -0.114 0.000 2.141 267 L HA 0.180 4.520 4.340 -0.000 0.000 0.209 267 L C 1.964 178.804 176.870 -0.050 0.000 1.094 267 L CA 1.378 56.169 54.840 -0.082 0.000 0.763 267 L CB -0.573 41.438 42.059 -0.079 0.000 0.908 267 L HN 0.262 nan 8.230 nan 0.000 0.437 268 L N -1.527 119.662 121.223 -0.057 0.000 2.418 268 L HA -0.046 4.294 4.340 -0.000 0.000 0.218 268 L C 2.184 179.023 176.870 -0.051 0.000 1.125 268 L CA 0.360 55.184 54.840 -0.027 0.000 0.835 268 L CB -0.238 41.832 42.059 0.019 0.000 0.953 268 L HN 0.296 nan 8.230 nan 0.000 0.454 269 E N -0.271 119.890 120.200 -0.065 0.000 2.152 269 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 269 E C 2.138 178.703 176.600 -0.059 0.000 0.983 269 E CA 0.484 56.847 56.400 -0.062 0.000 0.818 269 E CB 0.230 29.892 29.700 -0.063 0.000 0.758 269 E HN 0.271 nan 8.360 nan 0.000 0.467 270 R N 0.325 120.790 120.500 -0.057 0.000 2.080 270 R HA 0.066 4.406 4.340 -0.000 0.000 0.222 270 R C 2.066 178.331 176.300 -0.058 0.000 1.107 270 R CA 0.576 56.647 56.100 -0.048 0.000 0.980 270 R CB -0.190 30.084 30.300 -0.043 0.000 0.879 270 R HN 0.212 nan 8.270 nan 0.000 0.439 271 L N -0.263 120.924 121.223 -0.060 0.000 2.612 271 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 271 L C 1.549 178.235 176.870 -0.307 0.000 1.140 271 L CA 0.388 55.163 54.840 -0.107 0.000 0.896 271 L CB 0.075 42.139 42.059 0.009 0.000 1.065 271 L HN 0.086 nan 8.230 nan 0.000 0.447 272 M N -1.979 117.490 119.600 -0.218 0.000 2.204 272 M HA 0.195 4.675 4.480 -0.000 0.000 0.407 272 M C 1.094 177.344 176.300 -0.084 0.000 0.920 272 M CA 0.489 55.681 55.300 -0.181 0.000 1.037 272 M CB 1.021 33.578 32.600 -0.071 0.000 2.010 272 M HN 0.144 nan 8.290 nan 0.000 0.674 273 G N 1.658 110.407 108.800 -0.084 0.000 4.655 273 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.220 273 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.220 273 G C 0.030 174.908 174.900 -0.036 0.000 1.403 273 G CA 0.631 45.705 45.100 -0.043 0.000 0.931 273 G HN 0.616 nan 8.290 nan 0.000 0.654 274 E N 0.471 120.651 120.200 -0.033 0.000 2.227 274 E HA 0.680 5.030 4.350 -0.000 0.000 0.268 274 E C -0.116 176.454 176.600 -0.049 0.000 0.990 274 E CA -0.086 56.294 56.400 -0.033 0.000 0.856 274 E CB 1.630 31.315 29.700 -0.024 0.000 1.159 274 E HN 0.413 nan 8.360 nan 0.000 0.401 275 S N 1.731 117.406 115.700 -0.043 0.000 2.481 275 S HA 0.134 4.604 4.470 -0.000 0.000 0.276 275 S C -1.445 173.108 174.600 -0.078 0.000 1.247 275 S CA -1.411 56.759 58.200 -0.049 0.000 1.053 275 S CB 0.537 63.725 63.200 -0.019 0.000 0.925 275 S HN 0.531 nan 8.310 nan 0.000 0.491 276 P HA 0.082 nan 4.420 nan 0.000 0.227 276 P C -0.698 176.395 177.300 -0.344 0.000 1.161 276 P CA 0.750 63.616 63.100 -0.389 0.000 0.788 276 P CB 0.116 31.374 31.700 -0.736 0.000 0.822 277 Y N -1.023 119.353 120.300 0.126 0.000 2.536 277 Y HA 0.413 4.963 4.550 -0.000 0.000 0.347 277 Y C 1.439 177.484 175.900 0.241 0.000 1.000 277 Y CA -0.851 57.360 58.100 0.184 0.000 1.051 277 Y CB 1.420 40.021 38.460 0.235 0.000 1.259 277 Y HN -0.287 nan 8.280 nan 0.000 0.468 278 Q N 0.311 120.367 119.800 0.427 0.000 2.245 278 Q HA 0.327 4.667 4.340 -0.000 0.000 0.236 278 Q C -0.521 175.605 176.000 0.210 0.000 0.842 278 Q CA 0.214 56.203 55.803 0.310 0.000 0.945 278 Q CB 1.250 30.048 28.738 0.099 0.000 1.122 278 Q HN 0.639 nan 8.270 nan 0.000 0.506 279 S N 0.364 116.067 115.700 0.005 0.000 2.588 279 S HA 0.371 4.841 4.470 -0.000 0.000 0.275 279 S C -2.321 171.790 174.600 -0.815 0.000 1.130 279 S CA -1.029 56.886 58.200 -0.475 0.000 0.855 279 S CB 2.242 65.516 63.200 0.123 0.000 1.116 279 S HN -0.229 nan 8.310 nan 0.000 0.472 280 P HA -0.073 nan 4.420 nan 0.000 0.218 280 P C 1.230 178.331 177.300 -0.331 0.000 1.148 280 P CA 1.335 64.121 63.100 -0.523 0.000 0.822 280 P CB -0.155 31.310 31.700 -0.392 0.000 0.784 281 T N -0.664 113.722 114.554 -0.279 0.000 2.708 281 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 281 T C 1.345 175.812 174.700 -0.387 0.000 1.037 281 T CA 1.647 63.542 62.100 -0.341 0.000 1.146 281 T CB -1.054 67.563 68.868 -0.419 0.000 0.865 281 T HN 0.122 nan 8.240 nan 0.000 0.435 282 D N 0.836 121.119 120.400 -0.195 0.000 2.116 282 D HA -0.087 4.553 4.640 -0.000 0.000 0.193 282 D C 1.939 177.909 176.300 -0.549 0.000 0.998 282 D CA 0.931 54.834 54.000 -0.162 0.000 0.836 282 D CB -0.408 40.485 40.800 0.154 0.000 0.951 282 D HN 0.290 nan 8.370 nan 0.000 0.449 283 M N 0.417 119.520 119.600 -0.827 0.000 2.202 283 M HA -0.049 4.431 4.480 -0.000 0.000 0.262 283 M C 1.070 177.004 176.300 -0.610 0.000 1.063 283 M CA 1.160 55.782 55.300 -1.129 0.000 1.097 283 M CB -0.133 32.173 32.600 -0.490 0.000 1.382 283 M HN -0.070 nan 8.290 nan 0.000 0.413 284 G N -1.190 107.365 108.800 -0.409 0.000 2.653 284 G HA2 0.295 4.255 3.960 -0.000 0.000 0.265 284 G HA3 0.295 4.255 3.960 -0.000 0.000 0.265 284 G C -0.025 174.768 174.900 -0.179 0.000 1.237 284 G CA -0.470 44.472 45.100 -0.263 0.000 0.946 284 G HN 0.206 nan 8.290 nan 0.000 0.522 285 V N -0.270 119.623 119.914 -0.035 0.000 3.509 285 V HA 0.187 4.307 4.120 -0.000 0.000 0.286 285 V C 0.470 176.719 176.094 0.257 0.000 1.618 285 V CA -0.322 62.077 62.300 0.165 0.000 1.088 285 V CB -0.334 31.585 31.823 0.160 0.000 0.909 285 V HN 0.664 nan 8.190 nan 0.000 0.429 286 N N 1.206 119.985 118.700 0.133 0.000 2.454 286 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 286 N C 0.574 176.260 175.510 0.293 0.000 1.218 286 N CA 0.717 53.874 53.050 0.177 0.000 0.904 286 N CB 0.839 39.380 38.487 0.089 0.000 1.065 286 N HN 0.166 nan 8.380 nan 0.000 0.462 287 M N 2.263 122.018 119.600 0.259 0.000 2.300 287 M HA 0.192 4.672 4.480 -0.000 0.000 0.313 287 M C 1.400 177.859 176.300 0.265 0.000 0.988 287 M CA -0.114 55.304 55.300 0.196 0.000 1.012 287 M CB -0.627 32.023 32.600 0.084 0.000 1.586 287 M HN 0.630 nan 8.290 nan 0.000 0.562 288 A N 0.920 123.942 122.820 0.336 0.000 1.892 288 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 288 A C 2.209 179.933 177.584 0.233 0.000 1.188 288 A CA 2.345 54.604 52.037 0.370 0.000 0.631 288 A CB -1.275 17.769 19.000 0.074 0.000 0.822 288 A HN 0.512 nan 8.150 nan 0.000 0.447 289 G N -0.720 108.088 108.800 0.014 0.000 2.443 289 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 289 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 289 G C 1.243 176.076 174.900 -0.112 0.000 1.131 289 G CA 0.870 45.904 45.100 -0.110 0.000 0.775 289 G HN 0.518 nan 8.290 nan 0.000 0.547 290 N N -0.403 118.248 118.700 -0.081 0.000 2.515 290 N HA -0.013 4.727 4.740 -0.000 0.000 0.185 290 N C 1.181 176.653 175.510 -0.063 0.000 1.109 290 N CA 0.324 53.329 53.050 -0.075 0.000 0.903 290 N CB 0.019 38.476 38.487 -0.050 0.000 0.969 290 N HN 0.259 nan 8.380 nan 0.000 0.450 291 C N 0.065 119.330 119.300 -0.059 0.000 3.183 291 C HA 0.402 4.862 4.460 -0.000 0.000 0.285 291 C C 0.945 175.744 174.990 -0.317 0.000 1.313 291 C CA -0.961 57.920 59.018 -0.228 0.000 1.711 291 C CB -0.509 27.028 27.740 -0.339 0.000 2.135 291 C HN 0.193 nan 8.230 nan 0.000 0.651 292 I N 2.650 123.176 120.570 -0.073 0.000 2.587 292 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 292 I C 1.430 177.530 176.117 -0.029 0.000 1.134 292 I CA 0.540 61.854 61.300 0.024 0.000 1.410 292 I CB 0.829 38.868 38.000 0.064 0.000 1.392 292 I HN 0.351 nan 8.210 nan 0.000 0.545 293 S N 2.830 118.522 115.700 -0.014 0.000 2.497 293 S HA 0.058 4.528 4.470 -0.000 0.000 0.221 293 S C 0.474 175.082 174.600 0.012 0.000 1.037 293 S CA -0.138 58.052 58.200 -0.017 0.000 0.920 293 S CB 0.339 63.523 63.200 -0.027 0.000 0.800 293 S HN 0.692 nan 8.310 nan 0.000 0.505 294 D N 1.062 121.486 120.400 0.040 0.000 2.375 294 D HA 0.313 4.953 4.640 -0.000 0.000 0.259 294 D C -0.084 176.256 176.300 0.067 0.000 1.235 294 D CA -0.239 53.787 54.000 0.045 0.000 0.924 294 D CB 1.447 42.273 40.800 0.043 0.000 1.143 294 D HN 0.042 nan 8.370 nan 0.000 0.529 295 D N 2.476 122.915 120.400 0.065 0.000 2.116 295 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 295 D C 1.842 178.200 176.300 0.097 0.000 0.998 295 D CA 1.906 55.968 54.000 0.103 0.000 0.836 295 D CB 0.408 41.268 40.800 0.101 0.000 0.951 295 D HN 0.406 nan 8.370 nan 0.000 0.449 296 A N 0.175 123.030 122.820 0.058 0.000 1.933 296 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 296 A C 2.330 179.951 177.584 0.060 0.000 1.175 296 A CA 2.120 54.181 52.037 0.040 0.000 0.628 296 A CB -0.949 18.061 19.000 0.016 0.000 0.814 296 A HN 0.347 nan 8.150 nan 0.000 0.444 297 A N -1.168 121.691 122.820 0.065 0.000 1.930 297 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 297 A C 2.255 179.903 177.584 0.106 0.000 1.175 297 A CA 1.582 53.669 52.037 0.083 0.000 0.627 297 A CB -1.105 17.936 19.000 0.069 0.000 0.815 297 A HN 0.594 nan 8.150 nan 0.000 0.443 298 C N -1.159 118.203 119.300 0.103 0.000 2.450 298 C HA 0.024 4.484 4.460 -0.000 0.000 0.279 298 C C 2.795 177.834 174.990 0.083 0.000 1.335 298 C CA 0.685 59.764 59.018 0.102 0.000 1.749 298 C CB -1.261 26.564 27.740 0.142 0.000 1.963 298 C HN 0.585 nan 8.230 nan 0.000 0.501 299 R N -0.075 120.467 120.500 0.071 0.000 2.073 299 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 299 R C 2.158 178.452 176.300 -0.009 0.000 1.134 299 R CA 1.929 58.009 56.100 -0.033 0.000 0.952 299 R CB -0.561 29.689 30.300 -0.082 0.000 0.850 299 R HN 0.659 nan 8.270 nan 0.000 0.433 300 H N 0.304 119.349 119.070 -0.042 0.000 2.321 300 H HA -0.022 4.534 4.556 -0.000 0.000 0.300 300 H C 1.799 177.104 175.328 -0.039 0.000 1.087 300 H CA 1.938 57.963 56.048 -0.039 0.000 1.319 300 H CB -0.102 29.645 29.762 -0.025 0.000 1.379 300 H HN 0.254 nan 8.280 nan 0.000 0.501 301 A N -0.247 122.541 122.820 -0.055 0.000 1.930 301 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 301 A C 2.535 180.027 177.584 -0.153 0.000 1.175 301 A CA 1.754 53.723 52.037 -0.113 0.000 0.627 301 A CB -0.721 18.263 19.000 -0.027 0.000 0.815 301 A HN 0.632 nan 8.150 nan 0.000 0.443 302 S N -0.317 115.308 115.700 -0.124 0.000 2.436 302 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 302 S C 1.573 176.095 174.600 -0.131 0.000 1.014 302 S CA 1.013 59.132 58.200 -0.136 0.000 0.950 302 S CB -0.227 62.910 63.200 -0.104 0.000 0.784 302 S HN 0.660 nan 8.310 nan 0.000 0.504 303 E N 1.115 121.226 120.200 -0.149 0.000 2.072 303 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 303 E C 2.302 178.807 176.600 -0.159 0.000 0.985 303 E CA 1.089 57.399 56.400 -0.150 0.000 0.801 303 E CB -0.071 29.535 29.700 -0.156 0.000 0.750 303 E HN 0.408 nan 8.360 nan 0.000 0.452 304 Q N 0.340 120.006 119.800 -0.224 0.000 2.119 304 Q HA -0.193 4.147 4.340 -0.000 0.000 0.201 304 Q C 1.984 177.929 176.000 -0.092 0.000 0.972 304 Q CA 1.169 56.864 55.803 -0.180 0.000 0.847 304 Q CB -0.127 28.463 28.738 -0.246 0.000 0.903 304 Q HN 0.206 nan 8.270 nan 0.000 0.433 305 E N 0.901 121.041 120.200 -0.101 0.000 2.072 305 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 305 E C 1.937 178.526 176.600 -0.019 0.000 0.985 305 E CA 0.743 57.107 56.400 -0.061 0.000 0.801 305 E CB -0.287 29.345 29.700 -0.113 0.000 0.750 305 E HN 0.318 nan 8.360 nan 0.000 0.452 306 I N 0.487 121.033 120.570 -0.040 0.000 2.145 306 I HA -0.329 3.841 4.170 -0.000 0.000 0.244 306 I C 2.287 178.403 176.117 -0.001 0.000 1.075 306 I CA 1.367 62.648 61.300 -0.031 0.000 1.332 306 I CB -0.351 37.610 38.000 -0.066 0.000 1.033 306 I HN 0.205 nan 8.210 nan 0.000 0.410 307 I N 0.059 120.630 120.570 0.002 0.000 2.226 307 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 307 I C 2.725 178.973 176.117 0.220 0.000 1.100 307 I CA 1.313 62.658 61.300 0.076 0.000 1.374 307 I CB -0.503 37.545 38.000 0.080 0.000 1.057 307 I HN 0.172 nan 8.210 nan 0.000 0.413 308 R N 0.481 121.076 120.500 0.158 0.000 2.091 308 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 308 R C 2.461 178.854 176.300 0.154 0.000 1.136 308 R CA 1.163 57.365 56.100 0.169 0.000 0.959 308 R CB -0.291 30.053 30.300 0.075 0.000 0.856 308 R HN 0.317 nan 8.270 nan 0.000 0.437 309 R N -0.234 120.326 120.500 0.100 0.000 2.120 309 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 309 R C 2.053 178.397 176.300 0.074 0.000 1.123 309 R CA 1.161 57.301 56.100 0.066 0.000 0.975 309 R CB -0.690 29.629 30.300 0.031 0.000 0.866 309 R HN 0.358 nan 8.270 nan 0.000 0.446 310 Y N 0.698 120.959 120.300 -0.064 0.000 2.133 310 Y HA -0.187 4.363 4.550 -0.000 0.000 0.287 310 Y C 1.969 177.780 175.900 -0.148 0.000 1.134 310 Y CA 1.262 59.266 58.100 -0.159 0.000 1.133 310 Y CB -0.572 37.711 38.460 -0.295 0.000 0.987 310 Y HN -0.157 nan 8.280 nan 0.000 0.502 311 F N 0.789 120.660 119.950 -0.131 0.000 2.134 311 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 311 F C 2.387 178.095 175.800 -0.152 0.000 1.097 311 F CA 1.698 59.578 58.000 -0.201 0.000 1.264 311 F CB -0.543 38.432 39.000 -0.042 0.000 1.001 311 F HN -0.046 nan 8.300 nan 0.000 0.479 312 K N -0.093 120.368 120.400 0.101 0.000 2.103 312 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 312 K C 2.301 178.890 176.600 -0.018 0.000 1.048 312 K CA 1.203 57.512 56.287 0.036 0.000 0.930 312 K CB -0.471 32.052 32.500 0.039 0.000 0.716 312 K HN 0.245 nan 8.250 nan 0.000 0.444 313 A N 1.315 124.101 122.820 -0.055 0.000 1.898 313 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 313 A C 2.116 179.631 177.584 -0.114 0.000 1.181 313 A CA 1.124 53.115 52.037 -0.077 0.000 0.620 313 A CB -0.522 18.434 19.000 -0.074 0.000 0.819 313 A HN 0.150 nan 8.150 nan 0.000 0.442 314 L N -0.621 120.479 121.223 -0.205 0.000 2.017 314 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 314 L C 2.535 179.345 176.870 -0.099 0.000 1.073 314 L CA 1.091 55.812 54.840 -0.199 0.000 0.745 314 L CB -0.542 41.326 42.059 -0.319 0.000 0.894 314 L HN 0.241 nan 8.230 nan 0.000 0.432 315 V N -0.329 119.543 119.914 -0.069 0.000 2.343 315 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 315 V C 2.507 178.579 176.094 -0.037 0.000 1.051 315 V CA 1.862 64.122 62.300 -0.066 0.000 1.036 315 V CB -0.459 31.333 31.823 -0.051 0.000 0.654 315 V HN 0.489 nan 8.190 nan 0.000 0.451 316 E N 0.003 120.189 120.200 -0.023 0.000 2.106 316 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 316 E C 2.164 178.768 176.600 0.007 0.000 0.984 316 E CA 1.306 57.705 56.400 -0.002 0.000 0.806 316 E CB 0.056 29.754 29.700 -0.005 0.000 0.750 316 E HN 0.714 nan 8.360 nan 0.000 0.458 317 E N -0.005 120.189 120.200 -0.009 0.000 2.106 317 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 317 E C 1.906 178.523 176.600 0.029 0.000 0.984 317 E CA 0.872 57.273 56.400 0.001 0.000 0.806 317 E CB -0.025 29.664 29.700 -0.018 0.000 0.750 317 E HN 0.258 nan 8.360 nan 0.000 0.458 318 A N 1.126 123.964 122.820 0.031 0.000 1.929 318 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 318 A C 2.026 179.733 177.584 0.203 0.000 1.176 318 A CA 0.948 53.043 52.037 0.096 0.000 0.628 318 A CB -0.178 18.836 19.000 0.024 0.000 0.816 318 A HN 0.034 nan 8.150 nan 0.000 0.444 319 R N -0.678 119.918 120.500 0.160 0.000 2.073 319 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 319 R C 2.326 178.698 176.300 0.121 0.000 1.120 319 R CA 1.866 58.092 56.100 0.210 0.000 0.967 319 R CB -0.378 30.006 30.300 0.139 0.000 0.862 319 R HN 0.741 nan 8.270 nan 0.000 0.436 320 T N -4.121 110.478 114.554 0.074 0.000 3.044 320 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 320 T C 1.400 176.122 174.700 0.035 0.000 1.073 320 T CA 0.694 62.820 62.100 0.044 0.000 1.125 320 T CB 0.681 69.566 68.868 0.028 0.000 0.908 320 T HN 0.370 nan 8.240 nan 0.000 0.480 321 G N 1.554 110.380 108.800 0.044 0.000 2.141 321 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.231 321 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.231 321 G C -0.000 174.912 174.900 0.021 0.000 0.984 321 G CA 0.032 45.152 45.100 0.033 0.000 0.660 321 G HN 0.651 nan 8.290 nan 0.000 0.525 322 K N 0.911 121.322 120.400 0.018 0.000 2.180 322 K HA 0.394 4.714 4.320 -0.000 0.000 0.251 322 K C 0.734 177.339 176.600 0.008 0.000 1.014 322 K CA 0.098 56.391 56.287 0.010 0.000 0.913 322 K CB 0.354 32.858 32.500 0.006 0.000 1.008 322 K HN 0.487 nan 8.250 nan 0.000 0.490 323 D N -0.596 119.807 120.400 0.004 0.000 2.362 323 D HA -0.074 4.566 4.640 -0.000 0.000 0.238 323 D C 0.235 176.535 176.300 -0.001 0.000 1.212 323 D CA -0.288 53.714 54.000 0.003 0.000 0.902 323 D CB 0.450 41.251 40.800 0.002 0.000 1.180 323 D HN 0.360 nan 8.370 nan 0.000 0.445 324 S N -1.235 114.465 115.700 -0.001 0.000 2.763 324 S HA 0.028 4.498 4.470 -0.000 0.000 0.237 324 S C 1.064 175.664 174.600 -0.001 0.000 0.966 324 S CA -0.471 57.726 58.200 -0.004 0.000 1.017 324 S CB -0.772 62.428 63.200 -0.001 0.000 0.780 324 S HN 0.489 nan 8.310 nan 0.000 0.476 325 T N 2.931 117.484 114.554 -0.002 0.000 2.708 325 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 325 T C 1.949 176.648 174.700 -0.002 0.000 1.037 325 T CA 1.594 63.693 62.100 -0.001 0.000 1.146 325 T CB -0.261 68.605 68.868 -0.003 0.000 0.865 325 T HN 0.592 nan 8.240 nan 0.000 0.435 326 Q N 1.155 120.951 119.800 -0.007 0.000 2.187 326 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 326 Q C 2.765 178.766 176.000 0.002 0.000 0.957 326 Q CA 1.539 57.336 55.803 -0.010 0.000 0.857 326 Q CB -0.356 28.371 28.738 -0.019 0.000 0.929 326 Q HN 0.683 nan 8.270 nan 0.000 0.453 327 S N 1.076 116.776 115.700 -0.000 0.000 2.414 327 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 327 S C 1.406 176.083 174.600 0.128 0.000 1.022 327 S CA 0.943 59.161 58.200 0.030 0.000 0.958 327 S CB -0.080 63.067 63.200 -0.089 0.000 0.797 327 S HN 0.141 nan 8.310 nan 0.000 0.493 328 D N 1.560 121.998 120.400 0.064 0.000 2.144 328 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 328 D C 2.145 178.458 176.300 0.021 0.000 0.984 328 D CA 0.741 54.769 54.000 0.047 0.000 0.834 328 D CB -0.348 40.465 40.800 0.020 0.000 0.955 328 D HN 0.270 nan 8.370 nan 0.000 0.465 329 R N 0.789 121.297 120.500 0.014 0.000 2.081 329 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 329 R C 1.898 178.191 176.300 -0.012 0.000 1.131 329 R CA 1.244 57.341 56.100 -0.005 0.000 0.960 329 R CB -0.277 30.016 30.300 -0.011 0.000 0.856 329 R HN 0.120 nan 8.270 nan 0.000 0.436 330 A N 0.180 123.013 122.820 0.021 0.000 2.014 330 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 330 A C 2.232 179.767 177.584 -0.082 0.000 1.163 330 A CA 1.259 53.305 52.037 0.015 0.000 0.652 330 A CB -0.323 18.739 19.000 0.102 0.000 0.808 330 A HN 0.425 nan 8.150 nan 0.000 0.449 331 A N -0.441 122.318 122.820 -0.101 0.000 1.930 331 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 331 A C 2.138 179.607 177.584 -0.191 0.000 1.175 331 A CA 1.616 53.474 52.037 -0.298 0.000 0.627 331 A CB -0.736 18.141 19.000 -0.205 0.000 0.815 331 A HN 0.335 nan 8.150 nan 0.000 0.443 332 V N -0.263 119.589 119.914 -0.105 0.000 2.427 332 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 332 V C 2.556 178.602 176.094 -0.081 0.000 1.051 332 V CA 1.902 64.155 62.300 -0.078 0.000 1.048 332 V CB -0.606 31.189 31.823 -0.046 0.000 0.666 332 V HN 0.385 nan 8.190 nan 0.000 0.456 333 V N -0.797 119.067 119.914 -0.083 0.000 2.307 333 V HA -0.318 3.802 4.120 -0.000 0.000 0.245 333 V C 2.374 178.408 176.094 -0.100 0.000 1.045 333 V CA 2.200 64.454 62.300 -0.076 0.000 1.024 333 V CB -0.597 31.188 31.823 -0.064 0.000 0.651 333 V HN 0.429 nan 8.190 nan 0.000 0.449 334 M N 0.016 119.527 119.600 -0.149 0.000 2.073 334 M HA -0.259 4.221 4.480 -0.000 0.000 0.258 334 M C 2.354 178.569 176.300 -0.141 0.000 1.070 334 M CA 2.468 57.662 55.300 -0.177 0.000 1.103 334 M CB -0.574 31.851 32.600 -0.292 0.000 1.321 334 M HN 0.434 nan 8.290 nan 0.000 0.405 335 A N -0.163 122.575 122.820 -0.136 0.000 1.969 335 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 335 A C 2.030 179.569 177.584 -0.075 0.000 1.169 335 A CA 1.553 53.528 52.037 -0.102 0.000 0.635 335 A CB -0.509 18.433 19.000 -0.095 0.000 0.810 335 A HN 0.450 nan 8.150 nan 0.000 0.445 336 K N -0.520 119.839 120.400 -0.068 0.000 2.211 336 K HA 0.008 4.328 4.320 -0.000 0.000 0.203 336 K C 1.912 178.480 176.600 -0.052 0.000 1.050 336 K CA 0.951 57.208 56.287 -0.049 0.000 0.945 336 K CB -0.162 32.315 32.500 -0.037 0.000 0.732 336 K HN 0.453 nan 8.250 nan 0.000 0.451 337 A N 0.284 123.063 122.820 -0.068 0.000 2.195 337 A HA 0.188 4.508 4.320 -0.000 0.000 0.210 337 A C 1.256 178.797 177.584 -0.072 0.000 1.165 337 A CA 0.703 52.695 52.037 -0.074 0.000 0.806 337 A CB -0.077 18.871 19.000 -0.086 0.000 0.847 337 A HN 0.346 nan 8.150 nan 0.000 0.482 338 G N 0.223 108.980 108.800 -0.072 0.000 2.246 338 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.273 338 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.273 338 G C 0.082 174.940 174.900 -0.070 0.000 1.055 338 G CA 0.533 45.593 45.100 -0.066 0.000 0.851 338 G HN 1.363 nan 8.290 nan 0.000 0.500 339 I N -3.452 117.065 120.570 -0.088 0.000 2.693 339 I HA 0.872 5.042 4.170 -0.000 0.000 0.303 339 I C 0.035 176.085 176.117 -0.112 0.000 1.025 339 I CA -1.632 59.615 61.300 -0.089 0.000 1.086 339 I CB 1.653 39.598 38.000 -0.091 0.000 1.268 339 I HN -0.036 nan 8.210 nan 0.000 0.440 340 K N 2.818 123.161 120.400 -0.095 0.000 2.168 340 K HA 0.652 4.972 4.320 -0.000 0.000 0.239 340 K C 0.741 177.276 176.600 -0.107 0.000 0.999 340 K CA -0.418 55.804 56.287 -0.108 0.000 0.900 340 K CB 1.661 34.120 32.500 -0.068 0.000 1.111 340 K HN 0.717 nan 8.250 nan 0.000 0.452 341 A N 0.673 123.419 122.820 -0.123 0.000 2.015 341 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 341 A C 1.703 179.322 177.584 0.059 0.000 1.163 341 A CA 1.479 53.488 52.037 -0.048 0.000 0.646 341 A CB -0.661 18.295 19.000 -0.073 0.000 0.806 341 A HN 0.647 nan 8.150 nan 0.000 0.448 342 S N 0.009 115.719 115.700 0.017 0.000 2.442 342 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 342 S C 1.656 176.257 174.600 0.001 0.000 1.007 342 S CA 1.265 59.473 58.200 0.013 0.000 0.965 342 S CB -0.250 62.952 63.200 0.003 0.000 0.773 342 S HN 0.744 nan 8.310 nan 0.000 0.504 343 Q N 0.545 120.343 119.800 -0.005 0.000 2.482 343 Q HA 0.074 4.414 4.340 -0.000 0.000 0.209 343 Q C 0.955 176.954 176.000 -0.002 0.000 0.961 343 Q CA 0.124 55.925 55.803 -0.004 0.000 0.945 343 Q CB 0.022 28.751 28.738 -0.015 0.000 1.012 343 Q HN 0.382 nan 8.270 nan 0.000 0.515 344 R N 1.060 121.561 120.500 0.001 0.000 2.248 344 R HA 0.054 4.394 4.340 -0.000 0.000 0.337 344 R C 0.876 177.158 176.300 -0.030 0.000 1.085 344 R CA -0.128 55.962 56.100 -0.015 0.000 0.934 344 R CB 0.618 30.916 30.300 -0.003 0.000 1.034 344 R HN 0.030 nan 8.270 nan 0.000 0.465 345 V N 5.144 125.052 119.914 -0.011 0.000 2.828 345 V HA -0.179 3.941 4.120 -0.000 0.000 0.260 345 V C 1.547 177.626 176.094 -0.025 0.000 1.101 345 V CA 2.123 64.419 62.300 -0.007 0.000 1.123 345 V CB 0.165 31.997 31.823 0.014 0.000 0.704 345 V HN 0.767 nan 8.190 nan 0.000 0.493 346 V N -3.621 116.268 119.914 -0.042 0.000 3.649 346 V HA 0.105 4.225 4.120 -0.000 0.000 0.275 346 V C 2.033 178.109 176.094 -0.031 0.000 1.281 346 V CA 1.033 63.311 62.300 -0.037 0.000 1.143 346 V CB 0.000 31.799 31.823 -0.040 0.000 0.892 346 V HN 0.228 nan 8.190 nan 0.000 0.441 347 V N 1.032 120.882 119.914 -0.107 0.000 2.229 347 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 347 V C 2.753 178.845 176.094 -0.004 0.000 1.042 347 V CA 2.607 64.790 62.300 -0.196 0.000 1.000 347 V CB -0.570 31.070 31.823 -0.304 0.000 0.637 347 V HN 0.552 nan 8.190 nan 0.000 0.446 348 E N -0.183 120.012 120.200 -0.008 0.000 2.077 348 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 348 E C -0.102 176.509 176.600 0.018 0.000 0.989 348 E CA 1.704 58.113 56.400 0.015 0.000 0.800 348 E CB -1.119 28.586 29.700 0.007 0.000 0.746 348 E HN 0.532 nan 8.360 nan 0.000 0.452 349 P HA -0.181 nan 4.420 nan 0.000 0.216 349 P C 1.003 178.308 177.300 0.007 0.000 1.150 349 P CA 1.793 64.894 63.100 0.002 0.000 0.837 349 P CB 0.004 31.698 31.700 -0.010 0.000 0.786 350 A N 0.825 123.660 122.820 0.024 0.000 1.898 350 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 350 A C 2.150 179.746 177.584 0.019 0.000 1.181 350 A CA 1.436 53.484 52.037 0.018 0.000 0.620 350 A CB -0.942 18.080 19.000 0.037 0.000 0.819 350 A HN 0.209 nan 8.150 nan 0.000 0.442 351 R N -0.425 120.106 120.500 0.052 0.000 2.275 351 R HA 0.042 4.382 4.340 -0.000 0.000 0.199 351 R C 1.750 178.064 176.300 0.023 0.000 0.989 351 R CA 0.998 57.122 56.100 0.040 0.000 1.016 351 R CB -0.372 29.969 30.300 0.068 0.000 0.918 351 R HN 0.592 nan 8.270 nan 0.000 0.473 352 Q N 1.169 120.980 119.800 0.018 0.000 2.079 352 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 352 Q C 2.206 178.209 176.000 0.004 0.000 0.974 352 Q CA 1.664 57.473 55.803 0.010 0.000 0.840 352 Q CB 0.004 28.747 28.738 0.007 0.000 0.898 352 Q HN 0.145 nan 8.270 nan 0.000 0.430 353 V N 1.070 120.984 119.914 -0.000 0.000 2.332 353 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 353 V C 2.115 178.206 176.094 -0.006 0.000 1.055 353 V CA 2.182 64.478 62.300 -0.006 0.000 1.038 353 V CB -0.527 31.288 31.823 -0.013 0.000 0.651 353 V HN 0.419 nan 8.190 nan 0.000 0.450 354 E N -0.255 119.942 120.200 -0.005 0.000 2.150 354 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 354 E C 2.226 178.828 176.600 0.003 0.000 0.985 354 E CA 1.077 57.474 56.400 -0.004 0.000 0.814 354 E CB -0.018 29.679 29.700 -0.005 0.000 0.752 354 E HN 0.688 nan 8.360 nan 0.000 0.466 355 E N 0.038 120.243 120.200 0.007 0.000 2.085 355 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 355 E C 2.235 178.838 176.600 0.006 0.000 0.994 355 E CA 1.190 57.595 56.400 0.008 0.000 0.801 355 E CB 0.083 29.789 29.700 0.011 0.000 0.743 355 E HN 0.210 nan 8.360 nan 0.000 0.453 356 R N -0.211 120.291 120.500 0.003 0.000 2.055 356 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 356 R C 2.704 179.004 176.300 0.001 0.000 1.135 356 R CA 1.742 57.843 56.100 0.002 0.000 0.959 356 R CB -0.552 29.748 30.300 0.001 0.000 0.854 356 R HN 0.235 nan 8.270 nan 0.000 0.431 357 T N -1.954 112.600 114.554 -0.001 0.000 2.985 357 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 357 T C 1.042 175.741 174.700 -0.001 0.000 1.076 357 T CA 0.694 62.793 62.100 -0.002 0.000 1.135 357 T CB -0.008 68.857 68.868 -0.006 0.000 0.890 357 T HN 0.131 nan 8.240 nan 0.000 0.480 358 S N 0.528 116.228 115.700 0.000 0.000 3.561 358 S HA -0.096 4.374 4.470 -0.000 0.000 0.318 358 S C -0.186 174.414 174.600 0.001 0.000 1.181 358 S CA 0.506 58.707 58.200 0.002 0.000 0.916 358 S CB -2.020 61.182 63.200 0.004 0.000 0.966 358 S HN 0.681 nan 8.310 nan 0.000 0.550 359 L N -0.214 121.007 121.223 -0.003 0.000 2.393 359 L HA 0.521 4.861 4.340 -0.000 0.000 0.260 359 L C -2.505 174.358 176.870 -0.013 0.000 1.002 359 L CA -2.743 52.093 54.840 -0.007 0.000 0.818 359 L CB 1.870 43.924 42.059 -0.009 0.000 1.369 359 L HN -0.210 nan 8.230 nan 0.000 0.412 360 P HA 0.026 nan 4.420 nan 0.000 0.263 360 P C -0.412 176.867 177.300 -0.036 0.000 1.175 360 P CA 0.197 63.280 63.100 -0.029 0.000 0.761 360 P CB 0.511 32.196 31.700 -0.026 0.000 0.794 361 G N 1.062 109.832 108.800 -0.050 0.000 2.644 361 G HA2 0.627 4.587 3.960 -0.000 0.000 0.307 361 G HA3 0.627 4.587 3.960 -0.000 0.000 0.307 361 G C -1.521 173.331 174.900 -0.079 0.000 1.250 361 G CA -0.505 44.565 45.100 -0.050 0.000 0.996 361 G HN 0.645 nan 8.290 nan 0.000 0.489 362 C N -0.888 118.373 119.300 -0.065 0.000 3.113 362 C HA 0.797 5.257 4.460 -0.000 0.000 0.376 362 C C -0.663 174.291 174.990 -0.060 0.000 1.077 362 C CA 0.263 59.233 59.018 -0.078 0.000 1.253 362 C CB 0.525 28.235 27.740 -0.050 0.000 1.637 362 C HN 1.423 nan 8.230 nan 0.000 0.535 363 A N 4.893 127.669 122.820 -0.074 0.000 2.488 363 A HA 0.796 5.116 4.320 -0.000 0.000 0.295 363 A C -1.432 176.100 177.584 -0.085 0.000 1.045 363 A CA -0.321 51.679 52.037 -0.061 0.000 0.703 363 A CB 1.086 20.066 19.000 -0.034 0.000 1.271 363 A HN 1.105 nan 8.150 nan 0.000 0.400 364 I N 0.906 121.426 120.570 -0.083 0.000 2.648 364 I HA 0.591 4.761 4.170 -0.000 0.000 0.304 364 I C -0.189 175.883 176.117 -0.074 0.000 1.009 364 I CA -0.516 60.729 61.300 -0.092 0.000 1.114 364 I CB 1.688 39.635 38.000 -0.088 0.000 1.293 364 I HN 0.821 nan 8.210 nan 0.000 0.449 365 E N 6.451 126.612 120.200 -0.065 0.000 2.145 365 E HA 0.341 4.691 4.350 -0.000 0.000 0.270 365 E C -1.522 175.055 176.600 -0.039 0.000 0.906 365 E CA -0.735 55.635 56.400 -0.050 0.000 0.761 365 E CB 1.347 31.028 29.700 -0.032 0.000 1.116 365 E HN 0.438 nan 8.360 nan 0.000 0.408 366 L N 4.139 125.337 121.223 -0.041 0.000 2.468 366 L HA 0.092 4.432 4.340 -0.000 0.000 0.254 366 L C 1.442 178.315 176.870 0.005 0.000 1.171 366 L CA 0.369 55.201 54.840 -0.013 0.000 0.809 366 L CB 1.043 43.099 42.059 -0.006 0.000 1.155 366 L HN 0.635 nan 8.230 nan 0.000 0.473 367 V N 0.826 120.752 119.914 0.021 0.000 2.469 367 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 367 V C 1.960 178.070 176.094 0.027 0.000 1.064 367 V CA 1.969 64.284 62.300 0.025 0.000 1.066 367 V CB -0.311 31.530 31.823 0.029 0.000 0.667 367 V HN 0.953 nan 8.190 nan 0.000 0.461 368 D N 0.176 120.599 120.400 0.038 0.000 2.126 368 D HA -0.102 4.538 4.640 -0.000 0.000 0.190 368 D C 1.666 177.981 176.300 0.024 0.000 1.001 368 D CA 2.307 56.334 54.000 0.044 0.000 0.841 368 D CB -0.172 40.680 40.800 0.086 0.000 0.949 368 D HN 0.709 nan 8.370 nan 0.000 0.446 369 G N -1.365 107.440 108.800 0.009 0.000 2.260 369 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.179 369 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.179 369 G C 0.078 174.964 174.900 -0.023 0.000 1.002 369 G CA 0.392 45.489 45.100 -0.004 0.000 0.677 369 G HN 0.392 nan 8.290 nan 0.000 0.486 370 S N 1.873 117.548 115.700 -0.041 0.000 2.531 370 S HA 0.579 5.049 4.470 -0.000 0.000 0.279 370 S C 0.464 174.991 174.600 -0.121 0.000 1.305 370 S CA -0.183 57.957 58.200 -0.100 0.000 1.058 370 S CB 1.377 64.446 63.200 -0.220 0.000 0.899 370 S HN 0.296 nan 8.310 nan 0.000 0.493 371 I N 3.630 124.139 120.570 -0.101 0.000 2.312 371 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 371 I C -0.246 175.805 176.117 -0.110 0.000 1.031 371 I CA -0.439 60.808 61.300 -0.087 0.000 1.293 371 I CB 0.059 38.027 38.000 -0.054 0.000 1.403 371 I HN 0.492 nan 8.210 nan 0.000 0.484 372 I N 6.118 126.620 120.570 -0.112 0.000 2.404 372 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 372 I C 0.749 176.828 176.117 -0.063 0.000 0.992 372 I CA -0.046 61.192 61.300 -0.103 0.000 1.149 372 I CB 2.013 39.937 38.000 -0.127 0.000 1.315 372 I HN 0.648 nan 8.210 nan 0.000 0.446 373 T N 1.922 116.449 114.554 -0.046 0.000 2.948 373 T HA 0.934 5.284 4.350 -0.000 0.000 0.285 373 T C -0.098 174.587 174.700 -0.025 0.000 1.019 373 T CA -0.892 61.188 62.100 -0.035 0.000 1.013 373 T CB 1.822 70.673 68.868 -0.027 0.000 1.117 373 T HN 0.767 nan 8.240 nan 0.000 0.533 374 G N -0.792 107.994 108.800 -0.023 0.000 2.719 374 G HA2 0.719 4.679 3.960 -0.000 0.000 0.298 374 G HA3 0.719 4.679 3.960 -0.000 0.000 0.298 374 G C -1.376 173.512 174.900 -0.019 0.000 1.411 374 G CA -0.635 44.455 45.100 -0.016 0.000 0.991 374 G HN 1.062 nan 8.290 nan 0.000 0.509 375 A N 0.893 123.702 122.820 -0.019 0.000 2.454 375 A HA 0.863 5.183 4.320 -0.000 0.000 0.302 375 A C 0.101 177.671 177.584 -0.024 0.000 1.079 375 A CA -0.629 51.396 52.037 -0.020 0.000 0.731 375 A CB 1.459 20.448 19.000 -0.017 0.000 1.299 375 A HN 0.751 nan 8.150 nan 0.000 0.413 376 T N 2.519 117.058 114.554 -0.024 0.000 2.799 376 T HA 0.459 4.809 4.350 -0.000 0.000 0.296 376 T C 0.715 175.398 174.700 -0.027 0.000 0.947 376 T CA 0.621 62.703 62.100 -0.029 0.000 1.141 376 T CB -0.083 68.769 68.868 -0.027 0.000 0.891 376 T HN 1.017 nan 8.240 nan 0.000 0.533 377 S N 2.011 117.691 115.700 -0.033 0.000 2.806 377 S HA 0.426 4.896 4.470 -0.000 0.000 0.315 377 S C 0.601 175.182 174.600 -0.031 0.000 1.127 377 S CA -0.971 57.212 58.200 -0.028 0.000 0.918 377 S CB 1.485 64.667 63.200 -0.029 0.000 1.240 377 S HN 0.524 nan 8.310 nan 0.000 0.552 378 D N -0.155 120.231 120.400 -0.024 0.000 2.224 378 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 378 D C 1.595 177.877 176.300 -0.030 0.000 0.965 378 D CA 0.825 54.811 54.000 -0.023 0.000 0.852 378 D CB -0.042 40.750 40.800 -0.013 0.000 0.947 378 D HN 0.322 nan 8.370 nan 0.000 0.494 379 L N -0.071 121.133 121.223 -0.032 0.000 2.168 379 L HA 0.081 4.421 4.340 -0.000 0.000 0.203 379 L C 0.088 176.927 176.870 -0.052 0.000 1.078 379 L CA 0.872 55.691 54.840 -0.036 0.000 0.780 379 L CB 0.316 42.354 42.059 -0.035 0.000 0.939 379 L HN -0.151 nan 8.230 nan 0.000 0.451 380 L N -0.875 120.314 121.223 -0.058 0.000 2.362 380 L HA 0.601 4.941 4.340 -0.000 0.000 0.271 380 L C 0.373 177.197 176.870 -0.077 0.000 1.002 380 L CA -0.454 54.345 54.840 -0.067 0.000 0.818 380 L CB 1.076 43.101 42.059 -0.056 0.000 1.298 380 L HN 0.003 nan 8.230 nan 0.000 0.420 381 G N 0.094 108.834 108.800 -0.101 0.000 2.539 381 G HA2 0.317 4.277 3.960 -0.000 0.000 0.258 381 G HA3 0.317 4.277 3.960 -0.000 0.000 0.258 381 G C 1.195 176.069 174.900 -0.043 0.000 1.202 381 G CA 0.086 45.130 45.100 -0.092 0.000 0.851 381 G HN 1.037 nan 8.290 nan 0.000 0.556 382 C N -0.106 119.177 119.300 -0.027 0.000 2.419 382 C HA -0.057 4.403 4.460 -0.000 0.000 0.281 382 C C 2.938 177.939 174.990 0.019 0.000 1.336 382 C CA 1.056 60.067 59.018 -0.012 0.000 1.770 382 C CB -1.322 26.406 27.740 -0.020 0.000 1.929 382 C HN 0.704 nan 8.230 nan 0.000 0.509 383 S N 1.419 117.151 115.700 0.054 0.000 2.387 383 S HA -0.095 4.375 4.470 -0.000 0.000 0.226 383 S C 1.815 176.492 174.600 0.129 0.000 1.026 383 S CA 1.559 59.851 58.200 0.154 0.000 0.972 383 S CB -0.818 62.534 63.200 0.253 0.000 0.814 383 S HN 0.653 nan 8.310 nan 0.000 0.477 384 S N 1.620 117.346 115.700 0.044 0.000 2.406 384 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 384 S C 2.166 176.772 174.600 0.010 0.000 1.020 384 S CA 1.057 59.265 58.200 0.012 0.000 0.965 384 S CB -0.492 62.693 63.200 -0.024 0.000 0.798 384 S HN 0.716 nan 8.310 nan 0.000 0.488 385 S N 1.660 117.361 115.700 0.002 0.000 2.345 385 S HA -0.052 4.418 4.470 -0.000 0.000 0.220 385 S C 1.972 176.576 174.600 0.007 0.000 1.031 385 S CA 1.220 59.415 58.200 -0.009 0.000 0.996 385 S CB -0.439 62.749 63.200 -0.019 0.000 0.882 385 S HN 0.505 nan 8.310 nan 0.000 0.445 386 M N 0.558 120.170 119.600 0.021 0.000 2.106 386 M HA -0.101 4.379 4.480 -0.000 0.000 0.259 386 M C 2.105 178.431 176.300 0.045 0.000 1.068 386 M CA 1.561 56.875 55.300 0.024 0.000 1.100 386 M CB -0.387 32.226 32.600 0.022 0.000 1.351 386 M HN 0.465 nan 8.290 nan 0.000 0.404 387 L N 0.356 121.628 121.223 0.081 0.000 1.970 387 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 387 L C 2.405 179.306 176.870 0.053 0.000 1.071 387 L CA 1.495 56.390 54.840 0.091 0.000 0.751 387 L CB -0.529 41.591 42.059 0.101 0.000 0.889 387 L HN 0.409 nan 8.230 nan 0.000 0.432 388 L N -0.449 120.793 121.223 0.031 0.000 2.042 388 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 388 L C 2.307 179.191 176.870 0.024 0.000 1.076 388 L CA 1.187 56.037 54.840 0.018 0.000 0.749 388 L CB -0.814 41.241 42.059 -0.006 0.000 0.893 388 L HN 0.401 nan 8.230 nan 0.000 0.432 389 N N 0.426 119.138 118.700 0.021 0.000 2.166 389 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 389 N C 1.860 177.400 175.510 0.050 0.000 1.019 389 N CA 1.508 54.575 53.050 0.029 0.000 0.856 389 N CB -0.331 38.162 38.487 0.011 0.000 0.993 389 N HN 0.324 nan 8.380 nan 0.000 0.426 390 A N 0.614 123.458 122.820 0.040 0.000 1.897 390 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 390 A C 2.082 179.716 177.584 0.084 0.000 1.181 390 A CA 0.791 52.856 52.037 0.047 0.000 0.620 390 A CB -0.446 18.571 19.000 0.029 0.000 0.821 390 A HN 0.092 nan 8.150 nan 0.000 0.443 391 L N -0.267 120.996 121.223 0.067 0.000 2.093 391 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 391 L C 2.280 179.187 176.870 0.062 0.000 1.085 391 L CA 1.901 56.777 54.840 0.061 0.000 0.755 391 L CB -0.851 41.236 42.059 0.046 0.000 0.904 391 L HN 0.323 nan 8.230 nan 0.000 0.435 392 K N -1.494 118.945 120.400 0.065 0.000 2.026 392 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 392 K C 2.218 178.860 176.600 0.071 0.000 1.048 392 K CA 1.600 57.922 56.287 0.059 0.000 0.929 392 K CB -0.249 32.284 32.500 0.055 0.000 0.713 392 K HN 0.328 nan 8.250 nan 0.000 0.439 393 H N 0.228 119.304 119.070 0.011 0.000 2.319 393 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 393 H C 1.764 177.098 175.328 0.010 0.000 1.092 393 H CA 1.823 57.876 56.048 0.009 0.000 1.302 393 H CB -0.028 29.739 29.762 0.008 0.000 1.373 393 H HN 0.057 nan 8.280 nan 0.000 0.497 394 L N -0.428 120.877 121.223 0.136 0.000 2.131 394 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 394 L C 2.509 179.386 176.870 0.011 0.000 1.092 394 L CA 0.986 55.871 54.840 0.075 0.000 0.759 394 L CB -0.333 41.777 42.059 0.086 0.000 0.903 394 L HN 0.421 nan 8.230 nan 0.000 0.435 395 A N -0.788 122.037 122.820 0.008 0.000 2.218 395 A HA 0.288 4.608 4.320 -0.000 0.000 0.209 395 A C 1.679 179.247 177.584 -0.026 0.000 1.168 395 A CA 0.669 52.704 52.037 -0.003 0.000 0.804 395 A CB -0.357 18.649 19.000 0.010 0.000 0.834 395 A HN 0.492 nan 8.150 nan 0.000 0.482 396 G N -0.637 108.126 108.800 -0.062 0.000 2.147 396 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 396 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 396 G C 0.025 174.895 174.900 -0.051 0.000 1.005 396 G CA 0.321 45.370 45.100 -0.084 0.000 0.713 396 G HN 0.477 nan 8.290 nan 0.000 0.515 397 I N 0.821 121.373 120.570 -0.029 0.000 2.396 397 I HA 0.215 4.385 4.170 -0.000 0.000 0.292 397 I C 0.698 176.815 176.117 0.001 0.000 0.999 397 I CA -0.739 60.558 61.300 -0.006 0.000 1.310 397 I CB 0.991 38.997 38.000 0.011 0.000 1.404 397 I HN 0.086 nan 8.210 nan 0.000 0.496 398 D N 4.628 125.032 120.400 0.007 0.000 2.443 398 D HA -0.116 4.524 4.640 -0.000 0.000 0.239 398 D C 0.572 176.893 176.300 0.034 0.000 1.136 398 D CA 0.211 54.222 54.000 0.018 0.000 0.879 398 D CB 1.092 41.903 40.800 0.017 0.000 1.195 398 D HN 0.546 nan 8.370 nan 0.000 0.443 399 D N 2.511 122.936 120.400 0.042 0.000 2.264 399 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 399 D C 1.541 177.873 176.300 0.052 0.000 0.966 399 D CA 0.702 54.731 54.000 0.048 0.000 0.864 399 D CB 0.112 40.942 40.800 0.051 0.000 0.933 399 D HN 0.478 nan 8.370 nan 0.000 0.499 400 A N 0.102 122.957 122.820 0.058 0.000 2.119 400 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 400 A C 1.112 178.775 177.584 0.131 0.000 1.152 400 A CA -0.063 52.024 52.037 0.082 0.000 0.708 400 A CB -0.127 18.907 19.000 0.057 0.000 0.805 400 A HN 0.137 nan 8.150 nan 0.000 0.460 401 I N 1.874 122.505 120.570 0.100 0.000 2.587 401 I HA -0.028 4.142 4.170 -0.000 0.000 0.284 401 I C -0.060 176.161 176.117 0.173 0.000 1.134 401 I CA 0.398 61.767 61.300 0.115 0.000 1.410 401 I CB -0.383 37.656 38.000 0.065 0.000 1.392 401 I HN 0.323 nan 8.210 nan 0.000 0.545 402 H N 7.431 126.506 119.070 0.007 0.000 2.864 402 H HA 0.113 4.669 4.556 -0.000 0.000 0.281 402 H C 0.331 175.664 175.328 0.007 0.000 1.093 402 H CA -0.669 55.383 56.048 0.007 0.000 1.453 402 H CB 1.144 30.909 29.762 0.005 0.000 1.462 402 H HN 0.401 nan 8.280 nan 0.000 0.480 403 L N 2.248 123.515 121.223 0.073 0.000 2.653 403 L HA 0.271 4.611 4.340 -0.000 0.000 0.231 403 L C -0.350 176.542 176.870 0.037 0.000 1.153 403 L CA 0.235 55.104 54.840 0.049 0.000 0.933 403 L CB -0.265 41.812 42.059 0.030 0.000 1.175 403 L HN 0.283 nan 8.230 nan 0.000 0.473 404 L N 1.050 122.298 121.223 0.042 0.000 2.342 404 L HA 0.552 4.892 4.340 -0.000 0.000 0.276 404 L C 0.405 177.307 176.870 0.053 0.000 0.997 404 L CA -0.316 54.542 54.840 0.030 0.000 0.838 404 L CB 1.620 43.680 42.059 0.001 0.000 1.224 404 L HN 0.307 nan 8.230 nan 0.000 0.416 405 S N 4.840 120.564 115.700 0.041 0.000 2.564 405 S HA 0.311 4.781 4.470 -0.000 0.000 0.278 405 S C -1.584 173.038 174.600 0.037 0.000 1.333 405 S CA -0.788 57.436 58.200 0.041 0.000 1.048 405 S CB 0.671 63.887 63.200 0.027 0.000 0.900 405 S HN 0.564 nan 8.310 nan 0.000 0.505 406 P HA -0.170 nan 4.420 nan 0.000 0.219 406 P C 1.116 178.430 177.300 0.024 0.000 1.146 406 P CA 1.235 64.355 63.100 0.033 0.000 0.808 406 P CB -0.039 31.680 31.700 0.031 0.000 0.779 407 E N 0.337 120.549 120.200 0.020 0.000 2.435 407 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 407 E C 1.705 178.314 176.600 0.016 0.000 1.029 407 E CA 0.951 57.361 56.400 0.017 0.000 0.865 407 E CB -0.616 29.092 29.700 0.014 0.000 0.833 407 E HN 0.347 nan 8.360 nan 0.000 0.510 408 S N 0.863 116.572 115.700 0.017 0.000 2.421 408 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 408 S C 2.114 176.722 174.600 0.014 0.000 1.035 408 S CA 0.121 58.329 58.200 0.014 0.000 0.953 408 S CB -0.479 62.729 63.200 0.013 0.000 0.810 408 S HN 0.196 nan 8.310 nan 0.000 0.497 409 I N 1.854 122.433 120.570 0.015 0.000 2.277 409 I HA -0.051 4.119 4.170 -0.000 0.000 0.243 409 I C 3.008 179.135 176.117 0.016 0.000 1.094 409 I CA 1.277 62.584 61.300 0.013 0.000 1.393 409 I CB -0.420 37.588 38.000 0.013 0.000 1.078 409 I HN 0.319 nan 8.210 nan 0.000 0.417 410 E N 1.855 122.066 120.200 0.018 0.000 2.065 410 E HA -0.244 4.106 4.350 -0.000 0.000 0.201 410 E C -0.478 176.137 176.600 0.025 0.000 1.016 410 E CA 2.267 58.678 56.400 0.020 0.000 0.818 410 E CB -1.245 28.467 29.700 0.019 0.000 0.749 410 E HN 0.286 nan 8.360 nan 0.000 0.453 411 P HA -0.053 nan 4.420 nan 0.000 0.221 411 P C 1.596 178.917 177.300 0.036 0.000 1.150 411 P CA 1.046 64.165 63.100 0.031 0.000 0.800 411 P CB -0.121 31.592 31.700 0.022 0.000 0.787 412 I N -0.599 119.988 120.570 0.028 0.000 2.163 412 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 412 I C 2.471 178.609 176.117 0.036 0.000 1.081 412 I CA 1.575 62.893 61.300 0.030 0.000 1.353 412 I CB -0.835 37.178 38.000 0.023 0.000 1.054 412 I HN -0.053 nan 8.210 nan 0.000 0.407 413 Q N 0.158 119.975 119.800 0.028 0.000 2.124 413 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 413 Q C 2.208 178.225 176.000 0.029 0.000 0.977 413 Q CA 2.011 57.828 55.803 0.023 0.000 0.850 413 Q CB -0.266 28.480 28.738 0.013 0.000 0.901 413 Q HN 0.521 nan 8.270 nan 0.000 0.429 414 T N 1.380 115.957 114.554 0.038 0.000 2.821 414 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 414 T C 1.741 176.498 174.700 0.095 0.000 1.046 414 T CA 0.818 62.946 62.100 0.046 0.000 1.139 414 T CB -0.167 68.736 68.868 0.059 0.000 0.871 414 T HN 0.138 nan 8.240 nan 0.000 0.454 415 L N 1.175 122.471 121.223 0.122 0.000 2.017 415 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 415 L C 2.223 179.163 176.870 0.117 0.000 1.073 415 L CA 1.822 56.760 54.840 0.163 0.000 0.745 415 L CB -0.447 41.666 42.059 0.089 0.000 0.894 415 L HN 0.047 nan 8.230 nan 0.000 0.432 416 K N -0.851 119.590 120.400 0.069 0.000 2.009 416 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 416 K C 1.948 178.569 176.600 0.034 0.000 1.049 416 K CA 2.391 58.709 56.287 0.052 0.000 0.929 416 K CB -0.614 31.913 32.500 0.044 0.000 0.714 416 K HN 0.658 nan 8.250 nan 0.000 0.440 417 T N -0.771 113.793 114.554 0.016 0.000 2.668 417 T HA -0.070 4.280 4.350 -0.000 0.000 0.258 417 T C 2.152 176.824 174.700 -0.047 0.000 1.051 417 T CA 1.151 63.244 62.100 -0.011 0.000 1.155 417 T CB -0.766 68.092 68.868 -0.017 0.000 0.864 417 T HN -0.069 nan 8.240 nan 0.000 0.413 418 V N 1.638 121.491 119.914 -0.101 0.000 2.358 418 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 418 V C 2.740 178.645 176.094 -0.316 0.000 1.047 418 V CA 1.764 63.910 62.300 -0.256 0.000 1.035 418 V CB -0.777 30.800 31.823 -0.411 0.000 0.658 418 V HN 0.629 nan 8.190 nan 0.000 0.452 419 H N -1.362 117.711 119.070 0.003 0.000 2.557 419 H HA 0.307 4.863 4.556 -0.000 0.000 0.281 419 H C 1.660 176.989 175.328 0.003 0.000 0.990 419 H CA 0.640 56.690 56.048 0.003 0.000 1.278 419 H CB 0.578 30.342 29.762 0.002 0.000 1.451 419 H HN 0.317 nan 8.280 nan 0.000 0.516 420 L N 0.313 121.599 121.223 0.105 0.000 2.818 420 L HA 0.256 4.596 4.340 -0.000 0.000 0.243 420 L C 0.795 177.685 176.870 0.034 0.000 1.185 420 L CA 0.006 54.884 54.840 0.063 0.000 0.988 420 L CB 0.397 42.490 42.059 0.056 0.000 1.292 420 L HN 0.231 nan 8.230 nan 0.000 0.519 421 G N 0.909 109.721 108.800 0.020 0.000 2.395 421 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.300 421 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.300 421 G C 0.166 175.071 174.900 0.009 0.000 0.998 421 G CA 0.464 45.568 45.100 0.006 0.000 1.046 421 G HN 0.334 nan 8.290 nan 0.000 0.513 422 S N -1.032 114.675 115.700 0.012 0.000 2.541 422 S HA 0.600 5.070 4.470 -0.000 0.000 0.283 422 S C 1.381 175.986 174.600 0.007 0.000 1.196 422 S CA 0.311 58.520 58.200 0.016 0.000 1.062 422 S CB 1.692 64.909 63.200 0.028 0.000 1.009 422 S HN 0.612 nan 8.310 nan 0.000 0.502 423 S N 2.360 118.065 115.700 0.008 0.000 2.406 423 S HA 0.073 4.543 4.470 -0.000 0.000 0.224 423 S C 0.620 175.222 174.600 0.003 0.000 1.030 423 S CA 0.504 58.706 58.200 0.003 0.000 0.958 423 S CB -0.123 63.079 63.200 0.004 0.000 0.811 423 S HN 0.636 nan 8.310 nan 0.000 0.489 424 N N 1.828 120.533 118.700 0.008 0.000 2.439 424 N HA 0.371 5.111 4.740 -0.000 0.000 0.249 424 N C -2.420 173.090 175.510 0.000 0.000 1.003 424 N CA -2.010 51.041 53.050 0.001 0.000 0.942 424 N CB 1.810 40.300 38.487 0.004 0.000 1.115 424 N HN 0.187 nan 8.380 nan 0.000 0.505 425 P HA 0.100 nan 4.420 nan 0.000 0.262 425 P C -0.340 176.943 177.300 -0.027 0.000 1.304 425 P CA 0.027 63.122 63.100 -0.008 0.000 0.859 425 P CB 0.091 31.787 31.700 -0.007 0.000 1.310 426 R N 0.327 120.792 120.500 -0.058 0.000 2.582 426 R HA 0.431 4.771 4.340 -0.000 0.000 0.271 426 R C -0.289 175.919 176.300 -0.153 0.000 1.078 426 R CA -0.657 55.385 56.100 -0.098 0.000 1.127 426 R CB 0.345 30.576 30.300 -0.114 0.000 1.038 426 R HN -0.053 nan 8.270 nan 0.000 0.500 427 L N 2.953 124.096 121.223 -0.134 0.000 2.275 427 L HA 0.330 4.670 4.340 -0.000 0.000 0.288 427 L C 0.069 176.840 176.870 -0.164 0.000 1.046 427 L CA -0.808 53.971 54.840 -0.101 0.000 0.805 427 L CB 0.982 43.016 42.059 -0.041 0.000 1.193 427 L HN 0.673 nan 8.230 nan 0.000 0.426 428 H N 0.198 119.252 119.070 -0.028 0.000 2.581 428 H HA 0.097 4.653 4.556 -0.000 0.000 0.369 428 H C 1.282 176.570 175.328 -0.066 0.000 1.351 428 H CA 0.173 56.195 56.048 -0.043 0.000 1.434 428 H CB 0.778 30.514 29.762 -0.043 0.000 1.558 428 H HN 0.661 nan 8.280 nan 0.000 0.608 429 T N -0.568 114.007 114.554 0.035 0.000 2.653 429 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 429 T C 1.538 176.191 174.700 -0.077 0.000 1.035 429 T CA 1.634 63.679 62.100 -0.093 0.000 1.154 429 T CB -0.253 68.445 68.868 -0.284 0.000 0.862 429 T HN 0.825 nan 8.240 nan 0.000 0.441 430 D N 1.780 122.145 120.400 -0.057 0.000 2.178 430 D HA -0.154 4.486 4.640 -0.000 0.000 0.202 430 D C 1.791 178.080 176.300 -0.018 0.000 0.974 430 D CA 1.155 55.126 54.000 -0.049 0.000 0.841 430 D CB -0.451 40.318 40.800 -0.052 0.000 0.953 430 D HN 0.521 nan 8.370 nan 0.000 0.478 431 E N 0.089 120.296 120.200 0.011 0.000 2.112 431 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 431 E C 2.244 178.845 176.600 0.002 0.000 0.979 431 E CA 0.326 56.736 56.400 0.017 0.000 0.814 431 E CB 0.114 29.842 29.700 0.047 0.000 0.762 431 E HN 0.078 nan 8.360 nan 0.000 0.460 432 V N 0.783 120.694 119.914 -0.006 0.000 2.515 432 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 432 V C 1.724 177.810 176.094 -0.013 0.000 1.058 432 V CA 1.207 63.499 62.300 -0.013 0.000 1.064 432 V CB -0.020 31.791 31.823 -0.020 0.000 0.675 432 V HN 0.206 nan 8.190 nan 0.000 0.461 433 L N -0.755 120.457 121.223 -0.019 0.000 2.240 433 L HA 0.098 4.438 4.340 -0.000 0.000 0.211 433 L C 2.023 178.886 176.870 -0.011 0.000 1.106 433 L CA 1.565 56.394 54.840 -0.017 0.000 0.793 433 L CB -0.554 41.487 42.059 -0.030 0.000 0.927 433 L HN 0.253 nan 8.230 nan 0.000 0.446 434 I N -0.910 119.654 120.570 -0.010 0.000 2.233 434 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 434 I C 2.532 178.649 176.117 -0.001 0.000 1.093 434 I CA 1.083 62.379 61.300 -0.005 0.000 1.380 434 I CB -0.396 37.602 38.000 -0.004 0.000 1.067 434 I HN 0.192 nan 8.210 nan 0.000 0.413 435 A N 0.618 123.438 122.820 -0.000 0.000 1.933 435 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 435 A C 2.235 179.821 177.584 0.003 0.000 1.175 435 A CA 1.506 53.545 52.037 0.002 0.000 0.628 435 A CB -0.768 18.233 19.000 0.001 0.000 0.814 435 A HN 0.370 nan 8.150 nan 0.000 0.444 436 L N -0.543 120.681 121.223 0.001 0.000 2.093 436 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 436 L C 2.606 179.479 176.870 0.005 0.000 1.085 436 L CA 2.359 57.201 54.840 0.004 0.000 0.755 436 L CB -0.651 41.410 42.059 0.003 0.000 0.904 436 L HN 0.325 nan 8.230 nan 0.000 0.435 437 S N -1.706 113.996 115.700 0.003 0.000 2.387 437 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 437 S C 1.936 176.538 174.600 0.004 0.000 1.026 437 S CA 1.168 59.370 58.200 0.003 0.000 0.972 437 S CB -0.188 63.012 63.200 0.001 0.000 0.814 437 S HN 0.293 nan 8.310 nan 0.000 0.477 438 V N 1.351 121.268 119.914 0.004 0.000 2.407 438 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 438 V C 2.401 178.500 176.094 0.008 0.000 1.055 438 V CA 2.033 64.337 62.300 0.006 0.000 1.049 438 V CB -0.754 31.073 31.823 0.006 0.000 0.662 438 V HN 0.446 nan 8.190 nan 0.000 0.455 439 S N 0.135 115.841 115.700 0.009 0.000 2.481 439 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 439 S C 2.064 176.671 174.600 0.012 0.000 0.996 439 S CA 0.966 59.173 58.200 0.012 0.000 0.942 439 S CB -0.199 63.010 63.200 0.016 0.000 0.768 439 S HN 0.632 nan 8.310 nan 0.000 0.520 440 A N 1.226 124.052 122.820 0.010 0.000 2.067 440 A HA 0.355 4.675 4.320 -0.000 0.000 0.217 440 A C 2.205 179.794 177.584 0.008 0.000 1.156 440 A CA 1.124 53.167 52.037 0.009 0.000 0.683 440 A CB -0.606 18.399 19.000 0.008 0.000 0.808 440 A HN 0.478 nan 8.150 nan 0.000 0.455 441 A N -1.355 121.469 122.820 0.007 0.000 2.014 441 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 441 A C 2.225 179.813 177.584 0.007 0.000 1.163 441 A CA 2.145 54.186 52.037 0.006 0.000 0.652 441 A CB -0.588 18.415 19.000 0.005 0.000 0.808 441 A HN 0.465 nan 8.150 nan 0.000 0.449 442 T N -2.110 112.449 114.554 0.008 0.000 3.000 442 T HA 0.109 4.459 4.350 -0.000 0.000 0.248 442 T C -0.193 174.513 174.700 0.009 0.000 1.034 442 T CA 0.690 62.795 62.100 0.008 0.000 1.060 442 T CB -0.132 68.741 68.868 0.009 0.000 0.983 442 T HN 0.380 nan 8.240 nan 0.000 0.482 443 D N -0.111 120.295 120.400 0.011 0.000 2.502 443 D HA 0.491 5.131 4.640 -0.000 0.000 0.249 443 D C 0.848 177.155 176.300 0.012 0.000 1.092 443 D CA -0.391 53.616 54.000 0.013 0.000 0.839 443 D CB 2.074 42.885 40.800 0.017 0.000 1.264 443 D HN -0.040 nan 8.370 nan 0.000 0.511 444 S N 2.560 118.267 115.700 0.011 0.000 2.402 444 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 444 S C 1.502 176.108 174.600 0.011 0.000 1.021 444 S CA 0.846 59.051 58.200 0.010 0.000 0.974 444 S CB -0.325 62.880 63.200 0.008 0.000 0.800 444 S HN 0.616 nan 8.310 nan 0.000 0.484 445 N N 1.604 120.313 118.700 0.014 0.000 2.120 445 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 445 N C 1.966 177.487 175.510 0.017 0.000 1.024 445 N CA 0.987 54.047 53.050 0.016 0.000 0.852 445 N CB -0.249 38.251 38.487 0.021 0.000 1.003 445 N HN 0.412 nan 8.380 nan 0.000 0.424 446 A N 0.758 123.589 122.820 0.018 0.000 1.933 446 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 446 A C 2.174 179.767 177.584 0.014 0.000 1.175 446 A CA 1.360 53.407 52.037 0.016 0.000 0.628 446 A CB -0.503 18.506 19.000 0.016 0.000 0.814 446 A HN 0.195 nan 8.150 nan 0.000 0.444 447 Q N 0.147 119.955 119.800 0.013 0.000 2.083 447 Q HA -0.065 4.274 4.340 -0.000 0.000 0.198 447 Q C 1.929 177.936 176.000 0.012 0.000 0.969 447 Q CA 1.920 57.729 55.803 0.011 0.000 0.838 447 Q CB -0.276 28.468 28.738 0.010 0.000 0.900 447 Q HN 0.614 nan 8.270 nan 0.000 0.436 448 K N -0.500 119.907 120.400 0.012 0.000 2.209 448 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 448 K C 1.850 178.459 176.600 0.015 0.000 1.048 448 K CA 0.928 57.222 56.287 0.012 0.000 0.940 448 K CB -0.101 32.405 32.500 0.010 0.000 0.729 448 K HN 0.292 nan 8.250 nan 0.000 0.451 449 A N 1.322 124.152 122.820 0.017 0.000 1.872 449 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 449 A C 2.090 179.688 177.584 0.023 0.000 1.187 449 A CA 0.879 52.929 52.037 0.022 0.000 0.614 449 A CB -0.545 18.468 19.000 0.022 0.000 0.826 449 A HN 0.143 nan 8.150 nan 0.000 0.442 450 L N -0.217 121.017 121.223 0.019 0.000 2.079 450 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 450 L C 2.047 178.929 176.870 0.019 0.000 1.081 450 L CA 1.502 56.352 54.840 0.017 0.000 0.752 450 L CB -0.730 41.337 42.059 0.013 0.000 0.896 450 L HN 0.324 nan 8.230 nan 0.000 0.433 451 D N -0.380 120.031 120.400 0.018 0.000 2.172 451 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 451 D C 2.119 178.433 176.300 0.023 0.000 0.999 451 D CA 1.089 55.099 54.000 0.018 0.000 0.856 451 D CB -0.130 40.679 40.800 0.015 0.000 0.934 451 D HN 0.302 nan 8.370 nan 0.000 0.453 452 Q N -0.293 119.523 119.800 0.026 0.000 2.444 452 Q HA 0.097 4.437 4.340 -0.000 0.000 0.206 452 Q C 2.223 178.246 176.000 0.038 0.000 0.948 452 Q CA -0.049 55.774 55.803 0.033 0.000 0.946 452 Q CB 0.216 28.976 28.738 0.037 0.000 1.027 452 Q HN 0.422 nan 8.270 nan 0.000 0.513 453 L N 0.898 122.143 121.223 0.036 0.000 2.131 453 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 453 L C 2.384 179.279 176.870 0.043 0.000 1.092 453 L CA 1.502 56.367 54.840 0.042 0.000 0.759 453 L CB -0.381 41.699 42.059 0.034 0.000 0.903 453 L HN 0.263 nan 8.230 nan 0.000 0.435 454 K N -0.723 119.699 120.400 0.035 0.000 2.209 454 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 454 K C 0.901 177.523 176.600 0.037 0.000 1.048 454 K CA 1.457 57.765 56.287 0.034 0.000 0.940 454 K CB -0.354 32.163 32.500 0.028 0.000 0.729 454 K HN 0.245 nan 8.250 nan 0.000 0.451 455 N N 0.815 119.538 118.700 0.038 0.000 2.362 455 N HA 0.109 4.849 4.740 -0.000 0.000 0.211 455 N C 0.658 176.193 175.510 0.040 0.000 1.170 455 N CA 0.333 53.406 53.050 0.038 0.000 0.828 455 N CB 0.362 38.871 38.487 0.038 0.000 1.034 455 N HN 0.284 nan 8.380 nan 0.000 0.475 456 L N -0.360 120.890 121.223 0.045 0.000 2.638 456 L HA 0.221 4.561 4.340 -0.000 0.000 0.232 456 L C 0.528 177.423 176.870 0.041 0.000 1.099 456 L CA -0.126 54.741 54.840 0.046 0.000 0.883 456 L CB 0.309 42.409 42.059 0.068 0.000 1.136 456 L HN -0.040 nan 8.230 nan 0.000 0.492 457 R N 0.979 121.504 120.500 0.042 0.000 2.538 457 R HA 0.140 4.480 4.340 -0.000 0.000 0.282 457 R C 1.197 177.514 176.300 0.028 0.000 1.009 457 R CA 0.897 57.020 56.100 0.038 0.000 1.063 457 R CB -0.009 30.314 30.300 0.039 0.000 0.945 457 R HN 0.321 nan 8.270 nan 0.000 0.414 458 G N 1.625 110.438 108.800 0.022 0.000 2.234 458 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 458 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 458 G C 0.284 175.184 174.900 0.000 0.000 0.987 458 G CA 0.038 45.146 45.100 0.013 0.000 0.625 458 G HN 0.651 nan 8.290 nan 0.000 0.532 459 C N 2.295 121.592 119.300 -0.006 0.000 2.593 459 C HA 0.506 4.966 4.460 -0.000 0.000 0.409 459 C C 0.606 175.563 174.990 -0.056 0.000 1.304 459 C CA -0.893 58.110 59.018 -0.024 0.000 2.007 459 C CB 0.493 28.218 27.740 -0.024 0.000 2.614 459 C HN 0.466 nan 8.230 nan 0.000 0.585 460 D N 1.220 121.584 120.400 -0.059 0.000 2.264 460 D HA 0.476 5.116 4.640 -0.000 0.000 0.249 460 D C -0.638 175.590 176.300 -0.121 0.000 1.070 460 D CA 0.165 54.117 54.000 -0.081 0.000 0.912 460 D CB 1.708 42.474 40.800 -0.058 0.000 1.193 460 D HN 0.245 nan 8.370 nan 0.000 0.427 461 V N 1.945 121.762 119.914 -0.161 0.000 2.733 461 V HA 0.124 4.244 4.120 -0.000 0.000 0.306 461 V C -0.901 175.100 176.094 -0.155 0.000 1.084 461 V CA -0.685 61.489 62.300 -0.210 0.000 0.905 461 V CB 2.131 33.708 31.823 -0.410 0.000 1.010 461 V HN 0.527 nan 8.190 nan 0.000 0.424 462 H N 2.613 121.537 119.070 -0.244 0.000 2.466 462 H HA 0.759 5.315 4.556 -0.000 0.000 0.338 462 H C -0.036 175.161 175.328 -0.219 0.000 1.091 462 H CA 0.003 55.884 56.048 -0.279 0.000 1.207 462 H CB 1.742 31.323 29.762 -0.302 0.000 1.466 462 H HN 0.789 nan 8.280 nan 0.000 0.493 463 T N 0.557 114.694 114.554 -0.694 0.000 2.918 463 T HA 0.240 4.590 4.350 -0.000 0.000 0.286 463 T C 1.146 175.421 174.700 -0.708 0.000 1.026 463 T CA -0.176 61.614 62.100 -0.515 0.000 1.031 463 T CB 1.434 70.134 68.868 -0.280 0.000 1.046 463 T HN 0.648 nan 8.240 nan 0.000 0.479 464 T N -1.602 112.727 114.554 -0.374 0.000 3.067 464 T HA 0.193 4.543 4.350 -0.000 0.000 0.257 464 T C 1.014 175.606 174.700 -0.180 0.000 1.105 464 T CA 0.671 62.621 62.100 -0.250 0.000 1.104 464 T CB -0.549 68.252 68.868 -0.111 0.000 0.925 464 T HN 1.003 nan 8.240 nan 0.000 0.498 465 T N -0.324 114.126 114.554 -0.173 0.000 2.942 465 T HA 0.701 5.051 4.350 -0.000 0.000 0.289 465 T C -0.219 174.372 174.700 -0.182 0.000 1.044 465 T CA -1.124 60.888 62.100 -0.147 0.000 1.023 465 T CB 1.196 70.021 68.868 -0.072 0.000 1.123 465 T HN 0.216 nan 8.240 nan 0.000 0.512 466 I N 2.105 122.525 120.570 -0.249 0.000 2.533 466 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 466 I C 0.476 176.531 176.117 -0.105 0.000 1.109 466 I CA -0.504 60.642 61.300 -0.257 0.000 1.412 466 I CB 0.367 38.042 38.000 -0.542 0.000 1.396 466 I HN 0.443 nan 8.210 nan 0.000 0.543 467 L N 5.610 126.807 121.223 -0.044 0.000 2.452 467 L HA 0.301 4.641 4.340 -0.000 0.000 0.267 467 L C 1.167 178.068 176.870 0.051 0.000 1.188 467 L CA -0.223 54.637 54.840 0.033 0.000 0.821 467 L CB 0.247 42.352 42.059 0.076 0.000 1.102 467 L HN 0.695 nan 8.230 nan 0.000 0.470 468 G N 0.027 108.866 108.800 0.064 0.000 2.621 468 G HA2 0.209 4.169 3.960 -0.000 0.000 0.271 468 G HA3 0.209 4.169 3.960 -0.000 0.000 0.271 468 G C 0.930 175.840 174.900 0.017 0.000 1.236 468 G CA 0.119 45.246 45.100 0.045 0.000 0.958 468 G HN 0.764 nan 8.290 nan 0.000 0.512 469 S N -1.111 114.588 115.700 -0.002 0.000 2.383 469 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 469 S C 2.281 176.860 174.600 -0.035 0.000 1.026 469 S CA 1.283 59.477 58.200 -0.009 0.000 0.981 469 S CB -0.430 62.763 63.200 -0.012 0.000 0.818 469 S HN 0.279 nan 8.310 nan 0.000 0.472 470 V N 3.169 123.040 119.914 -0.073 0.000 2.295 470 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 470 V C 2.187 178.219 176.094 -0.104 0.000 1.049 470 V CA 2.332 64.571 62.300 -0.102 0.000 1.024 470 V CB -1.083 30.636 31.823 -0.172 0.000 0.648 470 V HN 0.424 nan 8.190 nan 0.000 0.447 471 D N -0.521 119.828 120.400 -0.085 0.000 2.183 471 D HA -0.135 4.505 4.640 -0.000 0.000 0.203 471 D C 2.151 178.395 176.300 -0.092 0.000 0.969 471 D CA 0.986 54.914 54.000 -0.121 0.000 0.842 471 D CB -0.113 40.685 40.800 -0.003 0.000 0.957 471 D HN 0.514 nan 8.370 nan 0.000 0.484 472 E N 0.127 120.338 120.200 0.017 0.000 2.106 472 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 472 E C 2.228 178.858 176.600 0.049 0.000 0.984 472 E CA 0.961 57.412 56.400 0.085 0.000 0.806 472 E CB -0.135 29.602 29.700 0.062 0.000 0.750 472 E HN 0.308 nan 8.360 nan 0.000 0.458 473 G N 1.401 110.195 108.800 -0.010 0.000 2.418 473 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 473 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 473 G C 1.498 176.373 174.900 -0.041 0.000 1.158 473 G CA 0.567 45.657 45.100 -0.018 0.000 0.771 473 G HN 0.158 nan 8.290 nan 0.000 0.545 474 I N 0.478 120.970 120.570 -0.129 0.000 2.179 474 I HA -0.072 4.098 4.170 -0.000 0.000 0.242 474 I C 2.507 178.541 176.117 -0.139 0.000 1.088 474 I CA 0.947 62.127 61.300 -0.200 0.000 1.357 474 I CB -1.218 36.559 38.000 -0.372 0.000 1.051 474 I HN 0.061 nan 8.210 nan 0.000 0.409 475 F N 1.015 120.965 119.950 0.001 0.000 2.293 475 F HA -0.062 4.465 4.527 -0.000 0.000 0.300 475 F C 2.691 178.493 175.800 0.002 0.000 1.086 475 F CA 0.796 58.795 58.000 -0.001 0.000 1.375 475 F CB -0.840 38.156 39.000 -0.007 0.000 1.045 475 F HN 0.028 nan 8.300 nan 0.000 0.516 476 R N 0.329 120.928 120.500 0.164 0.000 2.073 476 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 476 R C 1.976 178.320 176.300 0.074 0.000 1.134 476 R CA 1.454 57.613 56.100 0.098 0.000 0.952 476 R CB -0.468 29.872 30.300 0.065 0.000 0.850 476 R HN 0.247 nan 8.270 nan 0.000 0.433 477 N N 0.840 119.571 118.700 0.052 0.000 2.205 477 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 477 N C 1.700 177.239 175.510 0.050 0.000 1.015 477 N CA 1.124 54.196 53.050 0.037 0.000 0.862 477 N CB -0.132 38.362 38.487 0.012 0.000 0.986 477 N HN 0.254 nan 8.380 nan 0.000 0.429 478 L N -0.659 120.610 121.223 0.077 0.000 2.509 478 L HA 0.190 4.530 4.340 -0.000 0.000 0.222 478 L C 1.096 178.018 176.870 0.086 0.000 1.123 478 L CA 0.205 55.099 54.840 0.089 0.000 0.856 478 L CB -0.254 41.885 42.059 0.134 0.000 0.985 478 L HN 0.154 nan 8.230 nan 0.000 0.456 479 G N 0.780 109.630 108.800 0.084 0.000 2.198 479 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 479 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 479 G C 0.021 174.955 174.900 0.056 0.000 1.042 479 G CA 0.019 45.157 45.100 0.065 0.000 0.791 479 G HN 0.104 nan 8.290 nan 0.000 0.502 480 V N 1.060 121.019 119.914 0.076 0.000 2.465 480 V HA 0.474 4.594 4.120 -0.000 0.000 0.279 480 V C 0.990 177.068 176.094 -0.025 0.000 1.045 480 V CA -0.516 61.791 62.300 0.011 0.000 0.938 480 V CB 1.547 33.364 31.823 -0.011 0.000 0.986 480 V HN 0.331 nan 8.190 nan 0.000 0.467 481 L N 6.386 127.575 121.223 -0.056 0.000 2.282 481 L HA 0.395 4.735 4.340 -0.000 0.000 0.287 481 L C -0.328 176.479 176.870 -0.106 0.000 1.075 481 L CA -0.272 54.536 54.840 -0.053 0.000 0.839 481 L CB 0.750 42.789 42.059 -0.033 0.000 1.219 481 L HN 0.348 nan 8.230 nan 0.000 0.434 482 V N 1.974 121.823 119.914 -0.109 0.000 2.481 482 V HA 0.506 4.626 4.120 -0.000 0.000 0.286 482 V C 0.523 176.560 176.094 -0.096 0.000 1.042 482 V CA -0.454 61.751 62.300 -0.158 0.000 0.928 482 V CB 1.632 33.356 31.823 -0.165 0.000 0.986 482 V HN 0.821 nan 8.190 nan 0.000 0.462 483 T N 1.027 115.509 114.554 -0.121 0.000 2.887 483 T HA 0.768 5.118 4.350 -0.000 0.000 0.288 483 T C -0.427 174.160 174.700 -0.187 0.000 1.021 483 T CA -0.696 61.331 62.100 -0.122 0.000 1.000 483 T CB 1.801 70.518 68.868 -0.251 0.000 1.034 483 T HN 0.534 nan 8.240 nan 0.000 0.467 484 S N 1.109 116.697 115.700 -0.187 0.000 2.570 484 S HA 0.532 5.002 4.470 -0.000 0.000 0.286 484 S C -1.177 173.384 174.600 -0.065 0.000 1.099 484 S CA -0.986 57.048 58.200 -0.277 0.000 0.913 484 S CB 1.469 64.544 63.200 -0.209 0.000 1.085 484 S HN 0.761 nan 8.310 nan 0.000 0.480 485 D N 3.414 123.755 120.400 -0.099 0.000 2.350 485 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 485 D C -2.091 174.188 176.300 -0.034 0.000 1.119 485 D CA -1.434 52.620 54.000 0.089 0.000 0.886 485 D CB 0.849 41.706 40.800 0.097 0.000 1.195 485 D HN 0.165 nan 8.370 nan 0.000 0.437 486 P HA 0.069 nan 4.420 nan 0.000 0.238 486 P C -0.568 176.658 177.300 -0.122 0.000 1.729 486 P CA 0.213 63.248 63.100 -0.108 0.000 1.055 486 P CB -0.062 31.600 31.700 -0.062 0.000 1.980 487 K N 1.302 121.586 120.400 -0.194 0.000 2.464 487 K HA 0.519 4.839 4.320 -0.000 0.000 0.253 487 K C -0.548 175.904 176.600 -0.246 0.000 0.933 487 K CA -0.715 55.499 56.287 -0.122 0.000 0.801 487 K CB 1.634 34.112 32.500 -0.036 0.000 1.271 487 K HN -0.039 nan 8.250 nan 0.000 0.430 488 F N 1.198 121.150 119.950 0.002 0.000 2.411 488 F HA 0.314 4.841 4.527 -0.000 0.000 0.324 488 F C 0.990 176.792 175.800 0.002 0.000 1.086 488 F CA -0.463 57.538 58.000 0.002 0.000 1.028 488 F CB 1.034 40.036 39.000 0.004 0.000 1.284 488 F HN 0.282 nan 8.300 nan 0.000 0.501 489 Q N 1.173 121.102 119.800 0.215 0.000 2.394 489 Q HA 0.148 4.488 4.340 -0.000 0.000 0.248 489 Q C -0.579 175.485 176.000 0.106 0.000 0.992 489 Q CA -0.695 55.178 55.803 0.118 0.000 0.888 489 Q CB 0.685 29.480 28.738 0.095 0.000 1.257 489 Q HN 0.248 nan 8.270 nan 0.000 0.462 490 K N 2.760 123.199 120.400 0.065 0.000 2.379 490 K HA 0.170 4.490 4.320 -0.000 0.000 0.284 490 K C -0.193 176.428 176.600 0.035 0.000 1.044 490 K CA 0.019 56.334 56.287 0.046 0.000 0.974 490 K CB 0.214 32.733 32.500 0.032 0.000 0.962 490 K HN 0.493 nan 8.250 nan 0.000 0.474 491 N N 0.000 118.714 118.700 0.024 0.000 1.763 491 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 491 N CA 0.000 53.058 53.050 0.014 0.000 0.885 491 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 491 N HN 0.000 nan 8.380 nan 0.000 0.667