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 2wo0_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLDSG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK D 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.361 175.328 0.055 0.000 0.993 6 H CA 0.000 56.061 56.048 0.021 0.000 1.023 6 H CB 0.000 29.774 29.762 0.020 0.000 1.292 7 M N 1.580 120.987 119.600 -0.321 0.000 3.163 7 M HA 0.659 5.140 4.480 0.001 0.000 0.287 7 M C -0.680 175.683 176.300 0.104 0.000 1.323 7 M CA -1.043 54.147 55.300 -0.183 0.000 0.760 7 M CB 2.255 34.882 32.600 0.045 0.000 1.770 7 M HN 0.556 nan 8.290 nan 0.000 0.431 8 V N -0.161 119.899 119.914 0.244 0.000 3.225 8 V HA 0.609 4.729 4.120 0.001 0.000 0.293 8 V C -2.986 172.835 176.094 -0.455 0.000 1.405 8 V CA -1.541 60.781 62.300 0.036 0.000 1.038 8 V CB 2.680 34.457 31.823 -0.077 0.000 1.123 8 V HN 0.660 nan 8.190 nan 0.000 0.447 9 P HA 0.193 nan 4.420 nan 0.000 0.275 9 P C 0.857 177.765 177.300 -0.654 0.000 1.276 9 P CA 0.059 62.443 63.100 -1.193 0.000 0.782 9 P CB 1.059 32.196 31.700 -0.939 0.000 0.851 10 M N 2.697 121.916 119.600 -0.633 0.000 2.082 10 M HA -0.224 4.257 4.480 0.001 0.000 0.258 10 M C 1.645 177.718 176.300 -0.379 0.000 1.071 10 M CA 2.066 57.063 55.300 -0.504 0.000 1.103 10 M CB -0.622 31.605 32.600 -0.621 0.000 1.307 10 M HN 0.409 nan 8.290 nan 0.000 0.409 11 D N -0.150 120.037 120.400 -0.355 0.000 2.116 11 D HA -0.222 4.418 4.640 0.001 0.000 0.193 11 D C 1.937 178.139 176.300 -0.164 0.000 0.998 11 D CA 1.407 55.278 54.000 -0.214 0.000 0.836 11 D CB -0.033 40.672 40.800 -0.158 0.000 0.951 11 D HN 0.349 nan 8.370 nan 0.000 0.449 12 K N -0.254 120.027 120.400 -0.199 0.000 2.076 12 K HA -0.064 4.256 4.320 0.001 0.000 0.204 12 K C 2.087 178.621 176.600 -0.110 0.000 1.051 12 K CA 1.058 57.261 56.287 -0.140 0.000 0.949 12 K CB 0.041 32.449 32.500 -0.154 0.000 0.726 12 K HN 0.086 nan 8.250 nan 0.000 0.443 13 T N 2.125 116.593 114.554 -0.143 0.000 2.759 13 T HA -0.137 4.213 4.350 0.001 0.000 0.269 13 T C 1.857 176.538 174.700 -0.031 0.000 1.042 13 T CA 1.028 63.073 62.100 -0.092 0.000 1.140 13 T CB -0.097 68.695 68.868 -0.127 0.000 0.864 13 T HN 0.145 nan 8.240 nan 0.000 0.455 14 L N -0.183 121.012 121.223 -0.047 0.000 2.109 14 L HA -0.010 4.331 4.340 0.001 0.000 0.207 14 L C 2.648 179.554 176.870 0.060 0.000 1.086 14 L CA 1.091 55.947 54.840 0.026 0.000 0.760 14 L CB -0.297 41.758 42.059 -0.007 0.000 0.910 14 L HN 0.144 nan 8.230 nan 0.000 0.437 15 K N 0.110 120.513 120.400 0.005 0.000 2.032 15 K HA -0.177 4.143 4.320 0.001 0.000 0.209 15 K C 2.038 178.637 176.600 -0.001 0.000 1.048 15 K CA 1.288 57.574 56.287 -0.003 0.000 0.927 15 K CB -0.146 32.343 32.500 -0.018 0.000 0.712 15 K HN 0.234 nan 8.250 nan 0.000 0.441 16 E N 0.036 120.241 120.200 0.008 0.000 2.049 16 E HA -0.247 4.104 4.350 0.001 0.000 0.198 16 E C 2.025 178.644 176.600 0.032 0.000 1.007 16 E CA 1.322 57.731 56.400 0.015 0.000 0.809 16 E CB -0.526 29.188 29.700 0.023 0.000 0.749 16 E HN 0.325 nan 8.360 nan 0.000 0.450 17 F N 0.866 120.755 119.950 -0.102 0.000 2.269 17 F HA -0.022 4.506 4.527 0.001 0.000 0.301 17 F C 1.451 177.166 175.800 -0.142 0.000 1.082 17 F CA 1.834 59.752 58.000 -0.137 0.000 1.360 17 F CB 0.067 38.948 39.000 -0.197 0.000 1.041 17 F HN 0.190 nan 8.300 nan 0.000 0.512 18 G N -0.163 108.517 108.800 -0.199 0.000 2.143 18 G HA2 0.044 4.004 3.960 0.001 0.000 0.175 18 G HA3 0.044 4.004 3.960 0.001 0.000 0.175 18 G C 0.075 174.863 174.900 -0.187 0.000 1.004 18 G CA -0.127 44.829 45.100 -0.239 0.000 0.671 18 G HN 0.817 nan 8.290 nan 0.000 0.512 19 A N -0.048 122.725 122.820 -0.078 0.000 2.306 19 A HA 0.688 5.008 4.320 0.001 0.000 0.314 19 A C 0.051 177.663 177.584 0.048 0.000 1.164 19 A CA 0.320 52.362 52.037 0.007 0.000 0.822 19 A CB 0.763 19.816 19.000 0.087 0.000 1.130 19 A HN 0.590 nan 8.150 nan 0.000 0.496 20 D N 0.880 121.321 120.400 0.068 0.000 2.389 20 D HA 0.378 5.019 4.640 0.001 0.000 0.247 20 D C -0.696 175.667 176.300 0.103 0.000 1.128 20 D CA 0.309 54.353 54.000 0.074 0.000 0.884 20 D CB 0.759 41.603 40.800 0.072 0.000 1.194 20 D HN 0.173 nan 8.370 nan 0.000 0.441 21 V N 4.121 124.101 119.914 0.110 0.000 2.376 21 V HA 0.295 4.415 4.120 0.001 0.000 0.287 21 V C -0.626 175.598 176.094 0.217 0.000 1.015 21 V CA -0.754 61.645 62.300 0.165 0.000 0.834 21 V CB 1.165 33.068 31.823 0.134 0.000 1.001 21 V HN 0.543 nan 8.190 nan 0.000 0.428 22 Q N 4.285 124.233 119.800 0.248 0.000 2.307 22 Q HA 0.398 4.739 4.340 0.001 0.000 0.262 22 Q C -0.828 175.357 176.000 0.308 0.000 0.961 22 Q CA -0.141 55.795 55.803 0.221 0.000 0.882 22 Q CB 2.405 31.213 28.738 0.117 0.000 1.264 22 Q HN 0.849 nan 8.270 nan 0.000 0.446 23 W N 3.859 125.166 121.300 0.011 0.000 2.433 23 W HA 0.374 5.035 4.660 0.001 0.000 0.315 23 W C -1.220 175.201 176.519 -0.164 0.000 1.087 23 W CA -0.590 56.611 57.345 -0.240 0.000 1.205 23 W CB 1.378 30.681 29.460 -0.261 0.000 1.288 23 W HN 0.593 nan 8.180 nan 0.000 0.504 24 D N 4.539 124.291 120.400 -1.080 0.000 2.453 24 D HA 0.045 4.686 4.640 0.001 0.000 0.238 24 D C 0.445 175.969 176.300 -1.294 0.000 1.088 24 D CA -0.127 53.358 54.000 -0.858 0.000 0.854 24 D CB 1.314 41.849 40.800 -0.441 0.000 1.076 24 D HN 0.511 nan 8.370 nan 0.000 0.533 25 D N 2.411 122.256 120.400 -0.925 0.000 2.144 25 D HA -0.224 4.417 4.640 0.001 0.000 0.200 25 D C 1.468 177.598 176.300 -0.283 0.000 0.978 25 D CA 1.065 54.716 54.000 -0.583 0.000 0.833 25 D CB 0.002 40.721 40.800 -0.134 0.000 0.961 25 D HN 0.522 nan 8.370 nan 0.000 0.470 26 Y N 0.429 120.538 120.300 -0.318 0.000 2.220 26 Y HA 0.123 4.674 4.550 0.001 0.000 0.291 26 Y C 1.972 177.750 175.900 -0.203 0.000 1.129 26 Y CA 1.660 59.643 58.100 -0.194 0.000 1.161 26 Y CB -0.373 37.999 38.460 -0.147 0.000 0.997 26 Y HN 0.003 nan 8.280 nan 0.000 0.522 27 A N -0.618 122.038 122.820 -0.275 0.000 2.218 27 A HA 0.055 4.375 4.320 0.001 0.000 0.209 27 A C 0.569 177.948 177.584 -0.342 0.000 1.168 27 A CA 0.480 52.327 52.037 -0.316 0.000 0.804 27 A CB -0.218 18.678 19.000 -0.174 0.000 0.834 27 A HN 0.508 nan 8.150 nan 0.000 0.482 28 Q N -1.832 117.664 119.800 -0.506 0.000 2.454 28 Q HA -0.198 4.143 4.340 0.001 0.000 0.341 28 Q C -0.897 174.900 176.000 -0.339 0.000 1.437 28 Q CA 0.995 56.542 55.803 -0.428 0.000 0.935 28 Q CB -1.829 26.879 28.738 -0.050 0.000 1.164 28 Q HN 0.645 nan 8.270 nan 0.000 0.373 29 L N 0.001 120.800 121.223 -0.706 0.000 2.493 29 L HA 0.627 4.967 4.340 0.001 0.000 0.265 29 L C -1.263 175.511 176.870 -0.159 0.000 0.954 29 L CA -0.510 54.207 54.840 -0.205 0.000 0.844 29 L CB 1.368 43.340 42.059 -0.146 0.000 1.302 29 L HN 0.038 nan 8.230 nan 0.000 0.405 30 F N 2.276 122.388 119.950 0.270 0.000 2.385 30 F HA 0.630 5.158 4.527 0.001 0.000 0.336 30 F C 0.581 176.442 175.800 0.102 0.000 1.100 30 F CA -0.072 58.085 58.000 0.262 0.000 1.116 30 F CB 1.977 41.130 39.000 0.255 0.000 1.166 30 F HN 0.386 nan 8.300 nan 0.000 0.511 31 T N 5.393 120.106 114.554 0.266 0.000 2.791 31 T HA 0.622 4.973 4.350 0.001 0.000 0.288 31 T C -0.544 174.191 174.700 0.058 0.000 0.999 31 T CA -0.560 61.568 62.100 0.048 0.000 0.952 31 T CB 0.456 69.293 68.868 -0.052 0.000 0.938 31 T HN 0.279 nan 8.240 nan 0.000 0.444 32 L N 4.315 125.544 121.223 0.010 0.000 2.346 32 L HA 0.729 5.069 4.340 0.001 0.000 0.276 32 L C -0.520 176.390 176.870 0.067 0.000 1.006 32 L CA -1.031 53.881 54.840 0.119 0.000 0.817 32 L CB 1.667 43.894 42.059 0.281 0.000 1.272 32 L HN 0.469 nan 8.230 nan 0.000 0.421 33 I N 2.741 123.398 120.570 0.146 0.000 2.686 33 I HA 0.529 4.700 4.170 0.001 0.000 0.295 33 I C -0.823 175.431 176.117 0.229 0.000 1.114 33 I CA -0.741 60.658 61.300 0.165 0.000 1.038 33 I CB 2.467 40.539 38.000 0.120 0.000 1.238 33 I HN 0.530 nan 8.210 nan 0.000 0.420 34 K N 5.338 125.903 120.400 0.276 0.000 2.579 34 K HA 0.319 4.639 4.320 0.001 0.000 0.283 34 K C -0.952 175.782 176.600 0.224 0.000 1.069 34 K CA -0.272 56.127 56.287 0.186 0.000 0.977 34 K CB 0.845 33.396 32.500 0.084 0.000 1.334 34 K HN 0.643 nan 8.250 nan 0.000 0.462 35 D N 2.279 122.788 120.400 0.182 0.000 3.301 35 D HA -0.240 4.400 4.640 0.001 0.000 0.217 35 D C 1.008 177.453 176.300 0.242 0.000 1.548 35 D CA 1.982 56.119 54.000 0.228 0.000 1.118 35 D CB -0.977 39.982 40.800 0.265 0.000 0.684 35 D HN 0.759 nan 8.370 nan 0.000 0.821 36 G N 0.049 108.997 108.800 0.247 0.000 2.653 36 G HA2 0.224 4.184 3.960 0.001 0.000 0.212 36 G HA3 0.224 4.184 3.960 0.001 0.000 0.212 36 G C 0.445 175.456 174.900 0.184 0.000 1.138 36 G CA 1.222 46.419 45.100 0.162 0.000 0.782 36 G HN 0.671 nan 8.290 nan 0.000 0.535 37 A N -0.089 122.883 122.820 0.254 0.000 2.260 37 A HA 0.612 4.933 4.320 0.001 0.000 0.308 37 A C -1.439 176.299 177.584 0.258 0.000 1.254 37 A CA -0.696 51.480 52.037 0.231 0.000 0.874 37 A CB 0.559 19.731 19.000 0.287 0.000 1.153 37 A HN 0.281 nan 8.150 nan 0.000 0.527 38 Y N 3.296 123.636 120.300 0.067 0.000 2.388 38 Y HA 0.531 5.082 4.550 0.001 0.000 0.328 38 Y C -0.920 174.998 175.900 0.030 0.000 0.963 38 Y CA -0.517 57.626 58.100 0.071 0.000 1.240 38 Y CB 1.383 39.878 38.460 0.058 0.000 1.118 38 Y HN 0.442 nan 8.280 nan 0.000 0.484 39 V N 6.473 126.263 119.914 -0.208 0.000 2.555 39 V HA 0.500 4.621 4.120 0.001 0.000 0.302 39 V C -0.868 175.166 176.094 -0.100 0.000 1.038 39 V CA -1.156 61.072 62.300 -0.120 0.000 0.887 39 V CB 1.862 33.581 31.823 -0.173 0.000 0.991 39 V HN 0.591 nan 8.190 nan 0.000 0.434 40 K N 3.352 123.760 120.400 0.013 0.000 2.376 40 K HA 0.796 5.117 4.320 0.001 0.000 0.257 40 K C -1.483 175.193 176.600 0.128 0.000 0.939 40 K CA -0.667 55.665 56.287 0.077 0.000 0.809 40 K CB 2.751 35.310 32.500 0.098 0.000 1.121 40 K HN 0.426 nan 8.250 nan 0.000 0.425 41 V N 2.703 122.744 119.914 0.211 0.000 2.888 41 V HA 0.391 4.511 4.120 0.001 0.000 0.309 41 V C -1.593 174.680 176.094 0.299 0.000 1.114 41 V CA -0.818 61.624 62.300 0.237 0.000 0.940 41 V CB 2.175 34.166 31.823 0.281 0.000 1.021 41 V HN 0.673 nan 8.190 nan 0.000 0.426 42 K N 6.532 127.070 120.400 0.230 0.000 2.182 42 K HA 0.563 4.884 4.320 0.001 0.000 0.262 42 K C -2.678 174.063 176.600 0.235 0.000 0.957 42 K CA -1.825 54.603 56.287 0.235 0.000 0.842 42 K CB 1.715 34.297 32.500 0.137 0.000 1.099 42 K HN 0.445 nan 8.250 nan 0.000 0.438 43 P HA -0.109 nan 4.420 nan 0.000 0.263 43 P C 0.703 178.080 177.300 0.130 0.000 1.175 43 P CA 0.854 64.073 63.100 0.198 0.000 0.761 43 P CB 0.392 32.206 31.700 0.190 0.000 0.794 44 G N 1.417 110.273 108.800 0.093 0.000 2.205 44 G HA2 -0.246 3.714 3.960 0.001 0.000 0.269 44 G HA3 -0.246 3.714 3.960 0.001 0.000 0.269 44 G C 0.500 175.441 174.900 0.069 0.000 0.977 44 G CA 0.311 45.453 45.100 0.069 0.000 0.652 44 G HN 0.897 nan 8.290 nan 0.000 0.539 45 A N -0.658 122.214 122.820 0.087 0.000 2.351 45 A HA 0.671 4.991 4.320 0.001 0.000 0.257 45 A C 1.330 178.956 177.584 0.071 0.000 1.087 45 A CA 0.497 52.579 52.037 0.075 0.000 0.798 45 A CB 0.442 19.492 19.000 0.083 0.000 1.033 45 A HN 0.225 nan 8.150 nan 0.000 0.488 46 Q N 0.090 119.922 119.800 0.054 0.000 2.212 46 Q HA 0.006 4.347 4.340 0.001 0.000 0.199 46 Q C 0.947 176.976 176.000 0.048 0.000 0.950 46 Q CA 1.563 57.394 55.803 0.047 0.000 0.863 46 Q CB -0.258 28.500 28.738 0.033 0.000 0.944 46 Q HN 0.932 nan 8.270 nan 0.000 0.465 47 T N -2.196 112.386 114.554 0.047 0.000 2.912 47 T HA 0.785 5.135 4.350 0.001 0.000 0.288 47 T C -0.478 174.255 174.700 0.056 0.000 1.030 47 T CA -0.536 61.588 62.100 0.041 0.000 1.020 47 T CB 2.292 71.175 68.868 0.025 0.000 1.056 47 T HN 0.096 nan 8.240 nan 0.000 0.480 48 A N 2.199 125.043 122.820 0.041 0.000 2.309 48 A HA 0.837 5.158 4.320 0.001 0.000 0.317 48 A C -0.647 176.947 177.584 0.016 0.000 1.134 48 A CA -1.041 51.023 52.037 0.046 0.000 0.866 48 A CB 0.848 19.866 19.000 0.030 0.000 1.329 48 A HN 0.802 nan 8.150 nan 0.000 0.477 49 I N 1.099 121.683 120.570 0.022 0.000 2.436 49 I HA 0.419 4.590 4.170 0.001 0.000 0.289 49 I C -0.889 175.230 176.117 0.004 0.000 1.010 49 I CA -0.492 60.821 61.300 0.023 0.000 1.098 49 I CB 1.108 39.144 38.000 0.059 0.000 1.266 49 I HN 0.232 nan 8.210 nan 0.000 0.434 50 V N 6.317 126.222 119.914 -0.015 0.000 2.407 50 V HA 0.370 4.491 4.120 0.001 0.000 0.291 50 V C 0.163 176.272 176.094 0.024 0.000 1.018 50 V CA -0.773 61.509 62.300 -0.031 0.000 0.842 50 V CB 1.263 33.020 31.823 -0.110 0.000 0.996 50 V HN 0.803 nan 8.190 nan 0.000 0.426 51 N N 4.038 122.790 118.700 0.085 0.000 2.716 51 N HA -0.225 4.516 4.740 0.001 0.000 0.250 51 N C 1.237 176.767 175.510 0.034 0.000 1.033 51 N CA 1.776 54.866 53.050 0.067 0.000 0.727 51 N CB -1.072 37.437 38.487 0.037 0.000 0.950 51 N HN 1.533 nan 8.380 nan 0.000 0.541 52 G N -2.312 106.517 108.800 0.049 0.000 2.199 52 G HA2 -0.321 3.640 3.960 0.001 0.000 0.254 52 G HA3 -0.321 3.640 3.960 0.001 0.000 0.254 52 G C -0.256 174.655 174.900 0.018 0.000 0.982 52 G CA 0.390 45.506 45.100 0.027 0.000 0.632 52 G HN 0.416 nan 8.290 nan 0.000 0.529 53 Q N 1.072 120.880 119.800 0.013 0.000 2.293 53 Q HA 0.479 4.819 4.340 0.001 0.000 0.261 53 Q C -2.372 173.627 176.000 -0.002 0.000 0.960 53 Q CA -2.071 53.733 55.803 0.002 0.000 0.882 53 Q CB 2.339 31.074 28.738 -0.005 0.000 1.275 53 Q HN 0.343 nan 8.270 nan 0.000 0.445 54 P HA 0.201 nan 4.420 nan 0.000 0.275 54 P C -0.817 176.474 177.300 -0.014 0.000 1.228 54 P CA -0.513 62.587 63.100 -0.001 0.000 0.786 54 P CB 0.891 32.593 31.700 0.004 0.000 0.927 55 L N 2.229 123.440 121.223 -0.020 0.000 2.410 55 L HA 0.674 5.014 4.340 0.001 0.000 0.270 55 L C -0.773 176.084 176.870 -0.021 0.000 0.983 55 L CA -0.968 53.850 54.840 -0.036 0.000 0.822 55 L CB 1.760 43.773 42.059 -0.076 0.000 1.285 55 L HN 0.447 nan 8.230 nan 0.000 0.409 56 A N 5.823 128.632 122.820 -0.017 0.000 2.409 56 A HA 0.612 4.932 4.320 0.001 0.000 0.262 56 A C -0.754 176.829 177.584 -0.001 0.000 1.113 56 A CA -0.192 51.844 52.037 -0.002 0.000 0.790 56 A CB -0.159 18.840 19.000 -0.001 0.000 1.046 56 A HN 0.728 nan 8.150 nan 0.000 0.496 57 L N 2.587 123.823 121.223 0.023 0.000 2.296 57 L HA 0.303 4.644 4.340 0.001 0.000 0.286 57 L C 1.541 178.437 176.870 0.042 0.000 1.023 57 L CA -0.414 54.451 54.840 0.042 0.000 0.812 57 L CB 1.636 43.752 42.059 0.095 0.000 1.223 57 L HN 1.063 nan 8.230 nan 0.000 0.421 58 Q N 2.423 122.245 119.800 0.038 0.000 2.016 58 Q HA -0.039 4.302 4.340 0.001 0.000 0.200 58 Q C 0.031 176.057 176.000 0.043 0.000 0.978 58 Q CA 1.156 56.980 55.803 0.034 0.000 0.833 58 Q CB 0.416 29.171 28.738 0.028 0.000 0.895 58 Q HN 0.501 nan 8.270 nan 0.000 0.427 59 V N 4.171 124.120 119.914 0.059 0.000 2.318 59 V HA 0.323 4.444 4.120 0.001 0.000 0.271 59 V C -2.198 173.946 176.094 0.083 0.000 1.030 59 V CA -1.601 60.735 62.300 0.060 0.000 0.844 59 V CB 0.863 32.719 31.823 0.054 0.000 1.015 59 V HN 0.344 nan 8.190 nan 0.000 0.460 60 P HA 0.285 nan 4.420 nan 0.000 0.276 60 P C -0.301 177.023 177.300 0.041 0.000 1.244 60 P CA -0.366 62.780 63.100 0.076 0.000 0.801 60 P CB 0.766 32.505 31.700 0.065 0.000 1.006 61 V N 1.548 121.477 119.914 0.025 0.000 2.673 61 V HA 0.035 4.155 4.120 0.001 0.000 0.303 61 V C 0.502 176.602 176.094 0.011 0.000 1.046 61 V CA 0.152 62.416 62.300 -0.060 0.000 1.126 61 V CB 0.547 32.315 31.823 -0.091 0.000 0.934 61 V HN 0.220 nan 8.190 nan 0.000 0.487 62 V N 6.202 126.123 119.914 0.011 0.000 2.417 62 V HA 0.445 4.566 4.120 0.001 0.000 0.291 62 V C -0.009 176.132 176.094 0.079 0.000 1.024 62 V CA -0.614 61.714 62.300 0.047 0.000 0.861 62 V CB 1.537 33.387 31.823 0.045 0.000 0.985 62 V HN 0.831 nan 8.190 nan 0.000 0.436 63 M N 5.057 124.689 119.600 0.053 0.000 2.180 63 M HA 0.464 4.944 4.480 0.001 0.000 0.350 63 M C -0.508 175.813 176.300 0.036 0.000 1.125 63 M CA -0.138 55.184 55.300 0.036 0.000 1.031 63 M CB 0.713 33.311 32.600 -0.004 0.000 1.623 63 M HN 0.589 nan 8.290 nan 0.000 0.451 64 K N 3.598 124.036 120.400 0.064 0.000 2.723 64 K HA 0.240 4.561 4.320 0.001 0.000 0.229 64 K C -1.300 175.317 176.600 0.028 0.000 1.022 64 K CA -0.133 56.158 56.287 0.007 0.000 1.045 64 K CB 0.451 32.889 32.500 -0.103 0.000 1.227 64 K HN 0.751 nan 8.250 nan 0.000 0.516 65 D N 3.363 123.770 120.400 0.013 0.000 2.778 65 D HA -0.163 4.477 4.640 0.001 0.000 0.246 65 D C -0.560 175.755 176.300 0.024 0.000 1.107 65 D CA 0.920 54.931 54.000 0.018 0.000 0.732 65 D CB -0.821 39.990 40.800 0.018 0.000 1.055 65 D HN 0.888 nan 8.370 nan 0.000 0.429 66 N N -1.323 117.378 118.700 0.003 0.000 2.753 66 N HA -0.244 4.497 4.740 0.001 0.000 0.251 66 N C -0.141 175.340 175.510 -0.048 0.000 1.097 66 N CA 1.231 54.260 53.050 -0.034 0.000 0.786 66 N CB -0.695 37.788 38.487 -0.007 0.000 1.137 66 N HN 0.585 nan 8.380 nan 0.000 0.566 67 K N 0.272 120.686 120.400 0.023 0.000 2.413 67 K HA 0.627 4.948 4.320 0.001 0.000 0.257 67 K C -0.426 176.253 176.600 0.131 0.000 0.946 67 K CA -0.376 55.951 56.287 0.067 0.000 0.823 67 K CB 2.007 34.632 32.500 0.208 0.000 1.109 67 K HN 0.177 nan 8.250 nan 0.000 0.427 68 A N 3.291 126.066 122.820 -0.075 0.000 2.363 68 A HA 0.470 4.791 4.320 0.001 0.000 0.270 68 A C -1.426 175.976 177.584 -0.304 0.000 1.121 68 A CA -0.158 51.813 52.037 -0.110 0.000 0.800 68 A CB 0.122 18.996 19.000 -0.211 0.000 1.052 68 A HN 0.674 nan 8.150 nan 0.000 0.493 69 W N 1.205 122.378 121.300 -0.213 0.000 2.883 69 W HA 0.523 5.183 4.660 0.001 0.000 0.335 69 W C -0.402 175.951 176.519 -0.276 0.000 1.083 69 W CA -0.441 56.776 57.345 -0.212 0.000 1.233 69 W CB 2.129 31.501 29.460 -0.145 0.000 1.412 69 W HN 0.741 nan 8.180 nan 0.000 0.490 70 V N 0.248 120.066 119.914 -0.160 0.000 3.001 70 V HA 0.754 4.874 4.120 0.001 0.000 0.314 70 V C 0.226 176.255 176.094 -0.109 0.000 1.099 70 V CA -1.213 60.924 62.300 -0.272 0.000 0.989 70 V CB 1.132 32.546 31.823 -0.682 0.000 1.040 70 V HN 0.535 nan 8.190 nan 0.000 0.434 71 S N 1.202 116.878 115.700 -0.041 0.000 2.566 71 S HA 0.002 4.473 4.470 0.001 0.000 0.280 71 S C 1.041 175.632 174.600 -0.015 0.000 1.343 71 S CA 0.607 58.801 58.200 -0.010 0.000 1.036 71 S CB 0.509 63.747 63.200 0.063 0.000 0.866 71 S HN 1.235 nan 8.310 nan 0.000 0.526 72 D N 1.785 122.131 120.400 -0.089 0.000 2.384 72 D HA -0.114 4.527 4.640 0.001 0.000 0.222 72 D C 1.301 177.609 176.300 0.013 0.000 0.976 72 D CA 1.432 55.400 54.000 -0.054 0.000 0.915 72 D CB -0.728 40.034 40.800 -0.064 0.000 0.896 72 D HN 0.652 nan 8.370 nan 0.000 0.523 73 T N -4.238 110.339 114.554 0.040 0.000 3.085 73 T HA 0.133 4.484 4.350 0.001 0.000 0.264 73 T C 1.458 176.185 174.700 0.045 0.000 1.019 73 T CA -0.623 61.496 62.100 0.031 0.000 0.910 73 T CB -0.907 67.974 68.868 0.022 0.000 1.059 73 T HN 0.053 nan 8.240 nan 0.000 0.542 74 F N 2.249 122.161 119.950 -0.065 0.000 2.063 74 F HA -0.082 4.445 4.527 0.001 0.000 0.298 74 F C 1.796 177.569 175.800 -0.044 0.000 1.109 74 F CA 1.589 59.556 58.000 -0.056 0.000 1.212 74 F CB -0.276 38.682 39.000 -0.070 0.000 0.973 74 F HN 0.115 nan 8.300 nan 0.000 0.480 75 I N 0.322 120.899 120.570 0.012 0.000 2.226 75 I HA -0.358 3.813 4.170 0.001 0.000 0.245 75 I C 2.029 178.055 176.117 -0.151 0.000 1.100 75 I CA 1.271 62.474 61.300 -0.161 0.000 1.374 75 I CB -0.558 37.164 38.000 -0.464 0.000 1.057 75 I HN 0.254 nan 8.210 nan 0.000 0.413 76 N N 0.756 119.381 118.700 -0.124 0.000 2.106 76 N HA -0.171 4.570 4.740 0.001 0.000 0.188 76 N C 1.425 176.886 175.510 -0.082 0.000 1.029 76 N CA 1.387 54.396 53.050 -0.068 0.000 0.848 76 N CB -0.492 37.970 38.487 -0.042 0.000 1.007 76 N HN 0.311 nan 8.380 nan 0.000 0.423 77 D N 0.499 120.821 120.400 -0.131 0.000 2.149 77 D HA -0.083 4.557 4.640 0.001 0.000 0.198 77 D C 2.035 178.195 176.300 -0.233 0.000 0.990 77 D CA 0.619 54.526 54.000 -0.155 0.000 0.839 77 D CB -0.105 40.599 40.800 -0.161 0.000 0.948 77 D HN 0.062 nan 8.370 nan 0.000 0.460 78 V N 0.067 119.756 119.914 -0.375 0.000 2.283 78 V HA -0.118 4.003 4.120 0.001 0.000 0.239 78 V C 2.141 177.988 176.094 -0.412 0.000 1.035 78 V CA 1.101 63.089 62.300 -0.520 0.000 1.018 78 V CB -0.654 30.616 31.823 -0.921 0.000 0.658 78 V HN 0.028 nan 8.190 nan 0.000 0.459 79 F N -0.131 119.712 119.950 -0.180 0.000 2.128 79 F HA -0.129 4.399 4.527 0.001 0.000 0.295 79 F C 2.501 178.297 175.800 -0.007 0.000 1.100 79 F CA 1.051 59.032 58.000 -0.033 0.000 1.260 79 F CB -0.579 38.462 39.000 0.068 0.000 1.009 79 F HN 0.087 nan 8.300 nan 0.000 0.476 80 Q N 0.599 120.478 119.800 0.133 0.000 2.561 80 Q HA -0.119 4.221 4.340 0.001 0.000 0.217 80 Q C 2.296 178.310 176.000 0.023 0.000 0.980 80 Q CA 0.999 56.844 55.803 0.071 0.000 0.927 80 Q CB -0.792 27.965 28.738 0.033 0.000 0.980 80 Q HN 0.438 nan 8.270 nan 0.000 0.525 81 S N -1.558 114.130 115.700 -0.021 0.000 2.365 81 S HA -0.133 4.337 4.470 0.001 0.000 0.225 81 S C 1.720 176.312 174.600 -0.014 0.000 1.039 81 S CA 1.621 59.793 58.200 -0.047 0.000 1.033 81 S CB -0.232 62.908 63.200 -0.100 0.000 0.887 81 S HN 0.541 nan 8.310 nan 0.000 0.447 82 G N 0.490 109.295 108.800 0.008 0.000 2.278 82 G HA2 -0.187 3.773 3.960 0.001 0.000 0.210 82 G HA3 -0.187 3.773 3.960 0.001 0.000 0.210 82 G C 0.767 175.677 174.900 0.016 0.000 1.000 82 G CA 0.202 45.315 45.100 0.022 0.000 0.635 82 G HN 0.510 nan 8.290 nan 0.000 0.495 83 L N 1.104 122.324 121.223 -0.006 0.000 2.376 83 L HA 0.180 4.521 4.340 0.001 0.000 0.219 83 L C 1.083 177.957 176.870 0.006 0.000 1.133 83 L CA 0.941 55.776 54.840 -0.008 0.000 0.816 83 L CB -0.065 41.976 42.059 -0.030 0.000 0.933 83 L HN 0.265 nan 8.230 nan 0.000 0.449 84 D N 0.598 121.012 120.400 0.023 0.000 2.393 84 D HA 0.026 4.667 4.640 0.001 0.000 0.232 84 D C 0.612 176.961 176.300 0.081 0.000 1.192 84 D CA 0.063 54.100 54.000 0.062 0.000 0.882 84 D CB 0.795 41.659 40.800 0.107 0.000 1.038 84 D HN 0.170 nan 8.370 nan 0.000 0.499 85 Q N 2.134 121.963 119.800 0.047 0.000 2.246 85 Q HA 0.038 4.378 4.340 0.001 0.000 0.202 85 Q C 1.204 177.218 176.000 0.023 0.000 0.883 85 Q CA 0.031 55.858 55.803 0.041 0.000 0.952 85 Q CB 0.440 29.186 28.738 0.014 0.000 1.078 85 Q HN 0.468 nan 8.270 nan 0.000 0.493 86 T N 0.697 115.259 114.554 0.014 0.000 2.720 86 T HA -0.111 4.239 4.350 0.001 0.000 0.268 86 T C 0.253 174.805 174.700 -0.247 0.000 1.037 86 T CA 1.231 63.248 62.100 -0.138 0.000 1.144 86 T CB -0.072 68.709 68.868 -0.144 0.000 0.864 86 T HN 0.120 nan 8.240 nan 0.000 0.444 87 F N 1.640 121.624 119.950 0.058 0.000 2.415 87 F HA 0.466 4.994 4.527 0.001 0.000 0.348 87 F C 0.486 176.310 175.800 0.040 0.000 1.119 87 F CA -0.999 57.033 58.000 0.052 0.000 1.069 87 F CB 1.047 40.080 39.000 0.055 0.000 1.124 87 F HN -0.155 nan 8.300 nan 0.000 0.472 88 Q N 2.376 122.280 119.800 0.173 0.000 2.377 88 Q HA 0.487 4.828 4.340 0.001 0.000 0.271 88 Q C -0.636 175.434 176.000 0.118 0.000 1.077 88 Q CA -0.979 54.894 55.803 0.115 0.000 0.820 88 Q CB 2.909 31.684 28.738 0.063 0.000 1.347 88 Q HN 0.594 nan 8.270 nan 0.000 0.444 89 V N -0.695 119.274 119.914 0.091 0.000 2.732 89 V HA 0.328 4.448 4.120 0.001 0.000 0.297 89 V C 0.019 176.156 176.094 0.072 0.000 1.060 89 V CA -0.443 61.905 62.300 0.080 0.000 1.038 89 V CB 1.334 33.194 31.823 0.061 0.000 1.003 89 V HN 0.824 nan 8.190 nan 0.000 0.481 90 E N 2.990 123.236 120.200 0.077 0.000 2.223 90 E HA 0.232 4.583 4.350 0.001 0.000 0.282 90 E C 0.400 177.048 176.600 0.080 0.000 1.046 90 E CA -0.525 55.928 56.400 0.087 0.000 0.857 90 E CB 1.346 31.109 29.700 0.105 0.000 1.055 90 E HN 0.808 nan 8.360 nan 0.000 0.409 91 K N 2.815 123.260 120.400 0.076 0.000 1.965 91 K HA -0.081 4.240 4.320 0.001 0.000 0.218 91 K C 0.405 177.057 176.600 0.088 0.000 1.048 91 K CA 1.428 57.755 56.287 0.067 0.000 0.960 91 K CB 0.039 32.569 32.500 0.050 0.000 0.732 91 K HN 0.340 nan 8.250 nan 0.000 0.444 92 R N 1.382 121.960 120.500 0.129 0.000 2.265 92 R HA 0.237 4.577 4.340 0.001 0.000 0.328 92 R C -2.480 173.954 176.300 0.223 0.000 0.969 92 R CA -2.111 54.097 56.100 0.180 0.000 0.832 92 R CB 1.163 31.595 30.300 0.221 0.000 1.139 92 R HN 0.154 nan 8.270 nan 0.000 0.457 93 P HA -0.144 nan 4.420 nan 0.000 0.260 93 P C -0.523 176.771 177.300 -0.009 0.000 1.185 93 P CA 0.380 63.531 63.100 0.084 0.000 0.763 93 P CB 0.419 32.140 31.700 0.035 0.000 0.776 94 H N 6.860 125.868 119.070 -0.103 0.000 3.016 94 H HA -0.029 4.528 4.556 0.001 0.000 0.345 94 H C -1.147 173.863 175.328 -0.529 0.000 1.066 94 H CA -0.589 55.202 56.048 -0.428 0.000 1.390 94 H CB 0.721 30.372 29.762 -0.185 0.000 1.344 94 H HN 0.318 nan 8.280 nan 0.000 0.605 95 P HA -0.029 nan 4.420 nan 0.000 0.236 95 P C 1.207 178.372 177.300 -0.225 0.000 1.177 95 P CA 0.681 63.489 63.100 -0.488 0.000 0.773 95 P CB 0.417 31.757 31.700 -0.600 0.000 0.878 96 L N -1.159 120.003 121.223 -0.102 0.000 2.607 96 L HA 0.167 4.508 4.340 0.001 0.000 0.228 96 L C 0.403 177.228 176.870 -0.075 0.000 1.123 96 L CA -0.310 54.411 54.840 -0.199 0.000 0.890 96 L CB -0.548 41.232 42.059 -0.465 0.000 1.103 96 L HN -0.133 nan 8.230 nan 0.000 0.468 97 N N 1.565 120.283 118.700 0.031 0.000 2.407 97 N HA 0.082 4.823 4.740 0.001 0.000 0.250 97 N C 0.374 175.910 175.510 0.042 0.000 1.236 97 N CA 0.280 53.409 53.050 0.131 0.000 0.879 97 N CB 0.669 39.212 38.487 0.094 0.000 1.088 97 N HN 0.124 nan 8.380 nan 0.000 0.450 98 A N 2.144 124.980 122.820 0.027 0.000 2.366 98 A HA 0.226 4.547 4.320 0.001 0.000 0.250 98 A C 0.425 178.001 177.584 -0.013 0.000 1.099 98 A CA -0.451 51.581 52.037 -0.008 0.000 0.794 98 A CB 0.001 18.985 19.000 -0.027 0.000 1.056 98 A HN 0.670 nan 8.150 nan 0.000 0.499 99 L N 1.346 122.557 121.223 -0.020 0.000 2.540 99 L HA 0.107 4.448 4.340 0.001 0.000 0.276 99 L C 1.428 178.284 176.870 -0.023 0.000 1.212 99 L CA 0.057 54.883 54.840 -0.023 0.000 0.893 99 L CB -0.213 41.828 42.059 -0.029 0.000 1.138 99 L HN 0.973 nan 8.230 nan 0.000 0.491 100 T N -0.057 114.484 114.554 -0.021 0.000 2.816 100 T HA 0.356 4.707 4.350 0.001 0.000 0.282 100 T C 1.271 175.954 174.700 -0.028 0.000 0.993 100 T CA -0.205 61.883 62.100 -0.021 0.000 0.994 100 T CB 1.485 70.344 68.868 -0.015 0.000 1.025 100 T HN 0.625 nan 8.240 nan 0.000 0.529 101 A N 0.813 123.617 122.820 -0.027 0.000 1.917 101 A HA -0.136 4.185 4.320 0.001 0.000 0.219 101 A C 2.101 179.661 177.584 -0.040 0.000 1.182 101 A CA 1.956 53.972 52.037 -0.034 0.000 0.633 101 A CB -1.113 17.870 19.000 -0.028 0.000 0.819 101 A HN 0.935 nan 8.150 nan 0.000 0.448 102 D N -0.505 119.876 120.400 -0.032 0.000 2.097 102 D HA -0.125 4.515 4.640 0.001 0.000 0.197 102 D C 1.958 178.235 176.300 -0.038 0.000 0.984 102 D CA 1.490 55.471 54.000 -0.032 0.000 0.826 102 D CB -0.412 40.375 40.800 -0.023 0.000 0.973 102 D HN 0.653 nan 8.370 nan 0.000 0.460 103 E N 0.477 120.657 120.200 -0.034 0.000 2.085 103 E HA -0.150 4.200 4.350 0.001 0.000 0.194 103 E C 2.386 178.953 176.600 -0.054 0.000 0.994 103 E CA 0.509 56.887 56.400 -0.036 0.000 0.801 103 E CB -0.065 29.618 29.700 -0.028 0.000 0.743 103 E HN 0.312 nan 8.360 nan 0.000 0.453 104 I N 1.101 121.633 120.570 -0.063 0.000 2.208 104 I HA -0.302 3.868 4.170 0.001 0.000 0.245 104 I C 2.291 178.335 176.117 -0.122 0.000 1.097 104 I CA 1.291 62.534 61.300 -0.096 0.000 1.363 104 I CB -0.169 37.776 38.000 -0.092 0.000 1.051 104 I HN 0.043 nan 8.210 nan 0.000 0.413 105 K N 0.092 120.436 120.400 -0.094 0.000 2.148 105 K HA -0.221 4.099 4.320 0.001 0.000 0.204 105 K C 2.106 178.651 176.600 -0.091 0.000 1.050 105 K CA 1.056 57.284 56.287 -0.098 0.000 0.942 105 K CB -0.112 32.345 32.500 -0.071 0.000 0.724 105 K HN 0.398 nan 8.250 nan 0.000 0.446 106 Q N 0.510 120.268 119.800 -0.070 0.000 2.137 106 Q HA -0.064 4.277 4.340 0.001 0.000 0.198 106 Q C 1.935 177.903 176.000 -0.054 0.000 0.960 106 Q CA 1.067 56.838 55.803 -0.053 0.000 0.847 106 Q CB 0.011 28.728 28.738 -0.035 0.000 0.915 106 Q HN 0.266 nan 8.270 nan 0.000 0.448 107 A N 0.133 122.913 122.820 -0.066 0.000 1.930 107 A HA -0.091 4.230 4.320 0.001 0.000 0.217 107 A C 2.146 179.681 177.584 -0.081 0.000 1.175 107 A CA 1.339 53.343 52.037 -0.055 0.000 0.627 107 A CB -0.536 18.425 19.000 -0.065 0.000 0.815 107 A HN 0.293 nan 8.150 nan 0.000 0.443 108 V N -0.054 119.757 119.914 -0.170 0.000 2.453 108 V HA -0.229 3.892 4.120 0.001 0.000 0.247 108 V C 2.361 178.370 176.094 -0.141 0.000 1.048 108 V CA 2.175 64.337 62.300 -0.230 0.000 1.049 108 V CB -0.756 30.839 31.823 -0.380 0.000 0.672 108 V HN 0.634 nan 8.190 nan 0.000 0.457 109 E N 0.084 120.217 120.200 -0.112 0.000 2.077 109 E HA -0.197 4.153 4.350 0.001 0.000 0.193 109 E C 2.138 178.702 176.600 -0.061 0.000 0.989 109 E CA 1.549 57.894 56.400 -0.092 0.000 0.800 109 E CB -0.212 29.449 29.700 -0.064 0.000 0.746 109 E HN 0.553 nan 8.360 nan 0.000 0.452 110 I N 0.806 121.363 120.570 -0.021 0.000 2.179 110 I HA -0.246 3.924 4.170 0.001 0.000 0.242 110 I C 2.558 178.721 176.117 0.077 0.000 1.088 110 I CA 1.028 62.342 61.300 0.024 0.000 1.357 110 I CB -0.410 37.614 38.000 0.041 0.000 1.051 110 I HN 0.100 nan 8.210 nan 0.000 0.409 111 V N -1.576 118.415 119.914 0.128 0.000 2.626 111 V HA -0.167 3.954 4.120 0.001 0.000 0.252 111 V C 2.121 178.311 176.094 0.161 0.000 1.067 111 V CA 1.390 63.877 62.300 0.312 0.000 1.081 111 V CB -0.874 31.235 31.823 0.476 0.000 0.686 111 V HN 0.341 nan 8.190 nan 0.000 0.468 112 K N 1.174 121.457 120.400 -0.196 0.000 2.365 112 K HA 0.194 4.514 4.320 0.001 0.000 0.199 112 K C 1.917 178.435 176.600 -0.138 0.000 1.045 112 K CA 1.151 57.147 56.287 -0.486 0.000 0.962 112 K CB -0.171 32.000 32.500 -0.548 0.000 0.759 112 K HN 0.621 nan 8.250 nan 0.000 0.469 113 A N 1.420 124.211 122.820 -0.048 0.000 2.307 113 A HA 0.033 4.353 4.320 0.001 0.000 0.218 113 A C 0.846 178.421 177.584 -0.016 0.000 1.228 113 A CA -0.131 51.893 52.037 -0.021 0.000 0.857 113 A CB 0.037 19.026 19.000 -0.018 0.000 0.897 113 A HN 0.168 nan 8.150 nan 0.000 0.495 114 S N -0.694 115.001 115.700 -0.010 0.000 2.601 114 S HA 0.496 4.967 4.470 0.001 0.000 0.271 114 S C 1.158 175.680 174.600 -0.130 0.000 1.305 114 S CA 0.072 58.189 58.200 -0.138 0.000 1.022 114 S CB 1.362 64.332 63.200 -0.383 0.000 0.940 114 S HN 0.808 nan 8.310 nan 0.000 0.525 115 A N 1.973 124.685 122.820 -0.180 0.000 2.209 115 A HA 0.074 4.394 4.320 0.001 0.000 0.212 115 A C 1.460 178.960 177.584 -0.141 0.000 1.158 115 A CA 0.908 52.872 52.037 -0.122 0.000 0.742 115 A CB -0.423 18.508 19.000 -0.116 0.000 0.790 115 A HN 0.905 nan 8.150 nan 0.000 0.472 116 D N -1.659 118.561 120.400 -0.299 0.000 2.350 116 D HA 0.081 4.722 4.640 0.001 0.000 0.213 116 D C -0.269 176.030 176.300 -0.002 0.000 1.031 116 D CA -0.068 53.769 54.000 -0.271 0.000 0.861 116 D CB 0.061 40.480 40.800 -0.635 0.000 0.926 116 D HN 0.437 nan 8.370 nan 0.000 0.520 117 F N 2.819 122.753 119.950 -0.027 0.000 2.543 117 F HA 0.046 4.573 4.527 0.000 0.000 0.375 117 F C 0.513 176.365 175.800 0.087 0.000 1.075 117 F CA -0.054 58.043 58.000 0.162 0.000 1.225 117 F CB 0.409 39.520 39.000 0.184 0.000 1.099 117 F HN -0.411 nan 8.300 nan 0.000 0.561 118 K N 8.320 128.476 120.400 -0.405 0.000 2.244 118 K HA 0.265 4.585 4.320 0.001 0.000 0.260 118 K C -2.076 174.338 176.600 -0.310 0.000 0.951 118 K CA -1.743 54.411 56.287 -0.222 0.000 0.826 118 K CB 1.614 34.022 32.500 -0.154 0.000 1.108 118 K HN 0.310 nan 8.250 nan 0.000 0.433 119 P HA -0.210 nan 4.420 nan 0.000 0.223 119 P C 0.461 177.780 177.300 0.032 0.000 1.144 119 P CA 1.264 64.435 63.100 0.119 0.000 0.783 119 P CB 0.070 31.843 31.700 0.122 0.000 0.771 120 N N -0.984 117.689 118.700 -0.045 0.000 2.515 120 N HA -0.034 4.706 4.740 0.001 0.000 0.185 120 N C 0.145 175.592 175.510 -0.105 0.000 1.109 120 N CA 0.400 53.425 53.050 -0.041 0.000 0.903 120 N CB -0.985 37.481 38.487 -0.035 0.000 0.969 120 N HN -0.018 nan 8.380 nan 0.000 0.450 121 T N 1.612 116.008 114.554 -0.264 0.000 2.906 121 T HA 0.145 4.496 4.350 0.001 0.000 0.320 121 T C 0.417 174.944 174.700 -0.288 0.000 1.088 121 T CA 0.200 62.051 62.100 -0.416 0.000 1.120 121 T CB 0.799 69.091 68.868 -0.961 0.000 1.000 121 T HN 0.237 nan 8.240 nan 0.000 0.550 122 R N 0.276 120.586 120.500 -0.317 0.000 2.867 122 R HA 0.524 4.865 4.340 0.001 0.000 0.268 122 R C -1.352 174.724 176.300 -0.372 0.000 1.014 122 R CA -0.785 55.208 56.100 -0.178 0.000 0.946 122 R CB 1.481 31.865 30.300 0.140 0.000 1.208 122 R HN 0.456 nan 8.270 nan 0.000 0.477 123 F N 0.303 120.345 119.950 0.153 0.000 2.388 123 F HA 0.199 4.727 4.527 0.001 0.000 0.358 123 F C 1.608 177.484 175.800 0.126 0.000 1.122 123 F CA -0.593 57.476 58.000 0.116 0.000 1.056 123 F CB 1.866 40.924 39.000 0.097 0.000 1.155 123 F HN 0.639 nan 8.300 nan 0.000 0.461 124 T N -1.591 113.088 114.554 0.208 0.000 2.942 124 T HA 0.048 4.399 4.350 0.001 0.000 0.265 124 T C 0.341 175.127 174.700 0.143 0.000 1.062 124 T CA 0.589 62.780 62.100 0.152 0.000 1.139 124 T CB 0.178 69.103 68.868 0.096 0.000 0.883 124 T HN 0.623 nan 8.240 nan 0.000 0.468 125 E N -0.343 119.951 120.200 0.157 0.000 2.378 125 E HA 0.508 4.858 4.350 0.001 0.000 0.283 125 E C -2.035 174.636 176.600 0.118 0.000 0.979 125 E CA -0.852 55.615 56.400 0.112 0.000 0.795 125 E CB 1.759 31.495 29.700 0.060 0.000 1.221 125 E HN 0.292 nan 8.360 nan 0.000 0.428 126 I N 2.681 123.294 120.570 0.071 0.000 2.500 126 I HA 0.422 4.593 4.170 0.001 0.000 0.286 126 I C -0.937 175.188 176.117 0.013 0.000 1.063 126 I CA -0.648 60.672 61.300 0.032 0.000 1.062 126 I CB 1.727 39.706 38.000 -0.035 0.000 1.223 126 I HN 0.346 nan 8.210 nan 0.000 0.435 127 S N 4.889 120.599 115.700 0.015 0.000 2.537 127 S HA 0.400 4.870 4.470 0.001 0.000 0.270 127 S C -0.796 173.806 174.600 0.004 0.000 1.142 127 S CA -0.612 57.593 58.200 0.007 0.000 0.870 127 S CB 2.527 65.737 63.200 0.018 0.000 1.112 127 S HN 0.539 nan 8.310 nan 0.000 0.466 128 L N 3.220 124.439 121.223 -0.008 0.000 2.640 128 L HA 0.179 4.520 4.340 0.001 0.000 0.280 128 L C -0.423 176.447 176.870 -0.001 0.000 1.229 128 L CA 0.011 54.844 54.840 -0.011 0.000 0.919 128 L CB -0.072 41.973 42.059 -0.023 0.000 1.168 128 L HN 0.607 nan 8.230 nan 0.000 0.496 129 L N 9.312 130.538 121.223 0.005 0.000 2.313 129 L HA 0.489 4.830 4.340 0.001 0.000 0.282 129 L C -2.231 174.643 176.870 0.006 0.000 1.092 129 L CA -2.130 52.719 54.840 0.014 0.000 0.831 129 L CB 0.100 42.172 42.059 0.022 0.000 1.159 129 L HN 0.566 nan 8.230 nan 0.000 0.442 130 P HA 0.260 nan 4.420 nan 0.000 0.276 130 P C -2.582 174.732 177.300 0.023 0.000 1.253 130 P CA -1.023 62.084 63.100 0.011 0.000 0.766 130 P CB 0.043 31.763 31.700 0.032 0.000 0.845 131 P HA 0.036 nan 4.420 nan 0.000 0.280 131 P C -0.213 177.103 177.300 0.026 0.000 1.278 131 P CA 0.004 63.105 63.100 0.003 0.000 0.787 131 P CB 0.308 31.990 31.700 -0.030 0.000 1.163 132 D N -0.381 120.028 120.400 0.015 0.000 2.264 132 D HA 0.054 4.694 4.640 0.001 0.000 0.250 132 D C 0.900 177.174 176.300 -0.043 0.000 1.113 132 D CA -0.519 53.490 54.000 0.015 0.000 0.871 132 D CB 1.172 41.983 40.800 0.019 0.000 1.167 132 D HN 0.316 nan 8.370 nan 0.000 0.447 133 K N 2.582 122.901 120.400 -0.135 0.000 2.137 133 K HA -0.349 3.971 4.320 0.001 0.000 0.216 133 K C 1.675 178.084 176.600 -0.318 0.000 1.052 133 K CA 2.329 58.299 56.287 -0.528 0.000 0.939 133 K CB 0.025 32.043 32.500 -0.803 0.000 0.724 133 K HN 0.644 nan 8.250 nan 0.000 0.465 134 E N -1.024 119.101 120.200 -0.124 0.000 2.072 134 E HA -0.126 4.224 4.350 0.001 0.000 0.190 134 E C 1.859 178.496 176.600 0.062 0.000 0.982 134 E CA 0.807 57.206 56.400 -0.000 0.000 0.803 134 E CB -0.106 29.591 29.700 -0.004 0.000 0.755 134 E HN 0.481 nan 8.360 nan 0.000 0.453 135 A N 0.569 123.409 122.820 0.034 0.000 1.877 135 A HA -0.148 4.173 4.320 0.001 0.000 0.216 135 A C 2.389 180.029 177.584 0.094 0.000 1.186 135 A CA 1.473 53.547 52.037 0.060 0.000 0.620 135 A CB -0.856 18.164 19.000 0.034 0.000 0.822 135 A HN 0.197 nan 8.150 nan 0.000 0.443 136 V N -1.807 118.129 119.914 0.038 0.000 2.231 136 V HA -0.376 3.745 4.120 0.001 0.000 0.250 136 V C 2.279 178.464 176.094 0.151 0.000 1.058 136 V CA 2.283 64.596 62.300 0.022 0.000 1.022 136 V CB -1.324 30.511 31.823 0.019 0.000 0.640 136 V HN 0.797 nan 8.190 nan 0.000 0.445 137 W N -0.228 121.135 121.300 0.104 0.000 2.321 137 W HA -0.213 4.447 4.660 0.001 0.000 0.306 137 W C 2.604 179.176 176.519 0.088 0.000 1.217 137 W CA 1.125 58.534 57.345 0.107 0.000 1.257 137 W CB -0.329 29.144 29.460 0.020 0.000 1.145 137 W HN 0.260 nan 8.180 nan 0.000 0.509 138 A N -0.757 122.246 122.820 0.306 0.000 1.969 138 A HA -0.206 4.114 4.320 0.001 0.000 0.218 138 A C 1.612 179.289 177.584 0.156 0.000 1.169 138 A CA 1.338 53.482 52.037 0.179 0.000 0.635 138 A CB -1.085 17.983 19.000 0.115 0.000 0.810 138 A HN 0.396 nan 8.150 nan 0.000 0.445 139 F N 0.916 120.890 119.950 0.039 0.000 2.084 139 F HA -0.018 4.509 4.527 0.001 0.000 0.296 139 F C 2.512 178.319 175.800 0.011 0.000 1.111 139 F CA 1.294 59.277 58.000 -0.028 0.000 1.224 139 F CB -0.438 38.474 39.000 -0.146 0.000 0.991 139 F HN 0.235 nan 8.300 nan 0.000 0.471 140 A N 0.280 123.311 122.820 0.352 0.000 1.902 140 A HA -0.087 4.233 4.320 0.001 0.000 0.217 140 A C 2.205 179.917 177.584 0.213 0.000 1.181 140 A CA 1.889 54.134 52.037 0.346 0.000 0.623 140 A CB -0.950 18.336 19.000 0.477 0.000 0.818 140 A HN 0.500 nan 8.150 nan 0.000 0.443 141 L N -2.442 118.909 121.223 0.213 0.000 2.357 141 L HA 0.133 4.474 4.340 0.001 0.000 0.211 141 L C 1.975 178.866 176.870 0.035 0.000 1.075 141 L CA 0.875 55.794 54.840 0.132 0.000 0.830 141 L CB -0.011 42.122 42.059 0.124 0.000 0.996 141 L HN 0.337 nan 8.230 nan 0.000 0.467 142 E N -1.204 118.997 120.200 0.001 0.000 2.572 142 E HA 0.071 4.421 4.350 0.001 0.000 0.220 142 E C 0.102 176.636 176.600 -0.110 0.000 0.945 142 E CA -0.156 56.221 56.400 -0.039 0.000 1.070 142 E CB 0.663 30.355 29.700 -0.012 0.000 1.090 142 E HN 0.175 nan 8.360 nan 0.000 0.506 143 N N 1.402 119.970 118.700 -0.221 0.000 2.800 143 N HA -0.167 4.573 4.740 0.001 0.000 0.250 143 N C -0.536 174.793 175.510 -0.302 0.000 1.078 143 N CA 0.589 53.389 53.050 -0.416 0.000 0.804 143 N CB -0.442 37.871 38.487 -0.289 0.000 1.135 143 N HN 0.025 nan 8.380 nan 0.000 0.565 144 K N 2.153 122.468 120.400 -0.142 0.000 2.382 144 K HA 0.145 4.465 4.320 0.001 0.000 0.286 144 K C -2.238 174.394 176.600 0.054 0.000 1.062 144 K CA -0.915 55.353 56.287 -0.032 0.000 1.000 144 K CB 0.306 32.814 32.500 0.014 0.000 0.954 144 K HN 0.156 nan 8.250 nan 0.000 0.470 145 P HA -0.055 nan 4.420 nan 0.000 0.264 145 P C -0.072 177.315 177.300 0.145 0.000 1.193 145 P CA -0.202 63.002 63.100 0.175 0.000 0.763 145 P CB 0.605 32.365 31.700 0.100 0.000 0.810 146 V N 4.182 124.192 119.914 0.161 0.000 2.446 146 V HA -0.040 4.080 4.120 0.001 0.000 0.276 146 V C 1.015 177.131 176.094 0.037 0.000 1.030 146 V CA 0.612 62.951 62.300 0.065 0.000 1.033 146 V CB 0.083 31.902 31.823 -0.007 0.000 0.993 146 V HN 0.621 nan 8.190 nan 0.000 0.477 147 D N 3.116 123.535 120.400 0.031 0.000 2.398 147 D HA 0.026 4.666 4.640 0.001 0.000 0.210 147 D C 0.734 177.043 176.300 0.014 0.000 1.094 147 D CA -0.219 53.795 54.000 0.023 0.000 0.839 147 D CB 0.137 40.952 40.800 0.024 0.000 0.963 147 D HN 0.619 nan 8.370 nan 0.000 0.506 148 Q N 1.417 121.223 119.800 0.010 0.000 2.293 148 Q HA 0.353 4.694 4.340 0.001 0.000 0.251 148 Q C -2.514 173.486 176.000 0.000 0.000 0.930 148 Q CA -1.730 54.077 55.803 0.007 0.000 0.893 148 Q CB 1.190 29.932 28.738 0.008 0.000 1.215 148 Q HN -0.036 nan 8.270 nan 0.000 0.425 149 P HA 0.272 nan 4.420 nan 0.000 0.290 149 P C -0.780 176.517 177.300 -0.004 0.000 1.275 149 P CA -0.662 62.438 63.100 -0.001 0.000 0.841 149 P CB 0.879 32.582 31.700 0.005 0.000 1.042 150 R N 2.452 122.945 120.500 -0.011 0.000 2.485 150 R HA 0.063 4.404 4.340 0.001 0.000 0.304 150 R C 0.448 176.746 176.300 -0.003 0.000 0.934 150 R CA 0.709 56.801 56.100 -0.013 0.000 1.102 150 R CB -0.204 30.085 30.300 -0.017 0.000 0.906 150 R HN 0.511 nan 8.270 nan 0.000 0.407 151 K N 1.321 121.721 120.400 -0.000 0.000 2.328 151 K HA 0.660 4.981 4.320 0.001 0.000 0.246 151 K C -0.775 175.830 176.600 0.008 0.000 0.955 151 K CA -0.875 55.418 56.287 0.010 0.000 0.817 151 K CB 2.510 35.020 32.500 0.018 0.000 1.208 151 K HN 0.531 nan 8.250 nan 0.000 0.432 152 A N 1.636 124.464 122.820 0.014 0.000 2.350 152 A HA 0.362 4.683 4.320 0.001 0.000 0.324 152 A C -0.983 176.617 177.584 0.028 0.000 1.118 152 A CA -0.792 51.253 52.037 0.014 0.000 0.783 152 A CB 0.770 19.771 19.000 0.003 0.000 1.236 152 A HN 0.677 nan 8.150 nan 0.000 0.457 153 D N 1.328 121.746 120.400 0.031 0.000 2.312 153 D HA 0.400 5.040 4.640 0.001 0.000 0.252 153 D C -0.748 175.583 176.300 0.053 0.000 1.150 153 D CA 0.433 54.459 54.000 0.043 0.000 0.870 153 D CB 1.578 42.406 40.800 0.047 0.000 1.153 153 D HN 0.148 nan 8.370 nan 0.000 0.457 154 V N 4.973 124.924 119.914 0.062 0.000 2.349 154 V HA 0.329 4.450 4.120 0.001 0.000 0.284 154 V C 0.341 176.486 176.094 0.084 0.000 1.014 154 V CA -0.691 61.671 62.300 0.104 0.000 0.826 154 V CB 1.266 33.171 31.823 0.138 0.000 1.009 154 V HN 0.358 nan 8.190 nan 0.000 0.431 155 I N 6.032 126.672 120.570 0.118 0.000 2.328 155 I HA 0.473 4.644 4.170 0.001 0.000 0.287 155 I C -0.143 176.010 176.117 0.060 0.000 1.012 155 I CA -0.142 61.202 61.300 0.073 0.000 1.195 155 I CB 1.308 39.374 38.000 0.110 0.000 1.350 155 I HN 0.465 nan 8.210 nan 0.000 0.464 156 M N 6.625 126.181 119.600 -0.074 0.000 2.472 156 M HA 0.440 4.921 4.480 0.001 0.000 0.331 156 M C -0.845 175.349 176.300 -0.176 0.000 1.170 156 M CA -0.824 54.364 55.300 -0.186 0.000 1.009 156 M CB 2.486 34.892 32.600 -0.323 0.000 1.672 156 M HN 0.352 nan 8.290 nan 0.000 0.453 157 L N 2.743 123.857 121.223 -0.181 0.000 2.301 157 L HA 0.361 4.702 4.340 0.001 0.000 0.278 157 L C -0.859 175.914 176.870 -0.163 0.000 1.022 157 L CA -0.064 54.695 54.840 -0.135 0.000 0.854 157 L CB 0.549 42.561 42.059 -0.078 0.000 1.226 157 L HN 0.532 nan 8.230 nan 0.000 0.429 158 D N 4.438 124.756 120.400 -0.138 0.000 2.494 158 D HA 0.471 5.112 4.640 0.001 0.000 0.217 158 D C 1.053 177.338 176.300 -0.024 0.000 1.153 158 D CA 0.953 54.883 54.000 -0.117 0.000 0.954 158 D CB 0.401 41.144 40.800 -0.094 0.000 1.034 158 D HN 0.815 nan 8.370 nan 0.000 0.518 159 G N 5.037 113.806 108.800 -0.051 0.000 3.274 159 G HA2 -0.363 3.597 3.960 0.001 0.000 0.313 159 G HA3 -0.363 3.597 3.960 0.001 0.000 0.313 159 G C 0.879 175.735 174.900 -0.073 0.000 1.295 159 G CA 0.775 45.856 45.100 -0.031 0.000 1.004 159 G HN 0.606 nan 8.290 nan 0.000 0.614 160 K N 1.264 121.584 120.400 -0.133 0.000 2.438 160 K HA 0.221 4.541 4.320 0.001 0.000 0.206 160 K C 0.140 176.490 176.600 -0.417 0.000 1.081 160 K CA -0.018 56.105 56.287 -0.273 0.000 1.053 160 K CB 0.327 32.638 32.500 -0.314 0.000 0.908 160 K HN 0.690 nan 8.250 nan 0.000 0.556 161 H N 1.441 120.415 119.070 -0.161 0.000 2.467 161 H HA 0.283 4.839 4.556 0.001 0.000 0.331 161 H C -0.268 174.938 175.328 -0.204 0.000 1.120 161 H CA -0.674 55.260 56.048 -0.189 0.000 1.270 161 H CB 1.611 31.286 29.762 -0.146 0.000 1.466 161 H HN -0.009 nan 8.280 nan 0.000 0.504 162 I N 4.353 124.833 120.570 -0.150 0.000 2.331 162 I HA 0.195 4.365 4.170 0.001 0.000 0.292 162 I C 0.402 176.396 176.117 -0.204 0.000 0.998 162 I CA -0.373 60.798 61.300 -0.215 0.000 1.267 162 I CB 0.715 38.473 38.000 -0.404 0.000 1.386 162 I HN 0.397 nan 8.210 nan 0.000 0.476 163 I N 6.041 126.474 120.570 -0.230 0.000 2.433 163 I HA 0.276 4.447 4.170 0.001 0.000 0.292 163 I C 0.207 176.144 176.117 -0.299 0.000 1.001 163 I CA -0.489 60.617 61.300 -0.324 0.000 1.119 163 I CB 1.564 39.217 38.000 -0.578 0.000 1.289 163 I HN 0.429 nan 8.210 nan 0.000 0.438 164 E N 5.399 125.463 120.200 -0.226 0.000 2.055 164 E HA 0.600 4.950 4.350 0.001 0.000 0.274 164 E C -0.721 175.778 176.600 -0.167 0.000 0.949 164 E CA -0.581 55.745 56.400 -0.123 0.000 0.775 164 E CB 1.560 31.259 29.700 -0.001 0.000 1.097 164 E HN 0.669 nan 8.360 nan 0.000 0.404 165 A N 2.980 125.696 122.820 -0.174 0.000 2.312 165 A HA 0.599 4.920 4.320 0.001 0.000 0.328 165 A C -0.401 177.198 177.584 0.024 0.000 1.158 165 A CA -0.591 51.394 52.037 -0.087 0.000 0.821 165 A CB 1.093 20.022 19.000 -0.120 0.000 1.170 165 A HN 0.409 nan 8.150 nan 0.000 0.490 166 V N 2.176 122.132 119.914 0.070 0.000 2.555 166 V HA 0.618 4.739 4.120 0.001 0.000 0.302 166 V C -0.083 176.062 176.094 0.085 0.000 1.038 166 V CA -0.458 61.884 62.300 0.070 0.000 0.887 166 V CB 1.432 33.292 31.823 0.062 0.000 0.991 166 V HN 1.080 nan 8.190 nan 0.000 0.434 167 V N 0.356 120.310 119.914 0.067 0.000 2.769 167 V HA 0.740 4.861 4.120 0.001 0.000 0.312 167 V C -0.936 175.183 176.094 0.041 0.000 1.061 167 V CA -0.635 61.703 62.300 0.063 0.000 0.931 167 V CB 2.091 33.949 31.823 0.059 0.000 1.010 167 V HN 0.833 nan 8.190 nan 0.000 0.433 168 D N 3.111 123.534 120.400 0.037 0.000 2.349 168 D HA 0.438 5.079 4.640 0.001 0.000 0.232 168 D C 0.471 176.781 176.300 0.017 0.000 1.071 168 D CA -0.332 53.683 54.000 0.025 0.000 0.832 168 D CB 1.785 42.601 40.800 0.026 0.000 1.086 168 D HN 0.593 nan 8.370 nan 0.000 0.504 169 L N 3.093 124.321 121.223 0.009 0.000 2.307 169 L HA 0.035 4.376 4.340 0.001 0.000 0.211 169 L C 2.464 179.335 176.870 0.002 0.000 1.099 169 L CA 0.255 55.097 54.840 0.003 0.000 0.816 169 L CB -0.254 41.802 42.059 -0.005 0.000 0.952 169 L HN 0.474 nan 8.230 nan 0.000 0.455 170 Q N 0.809 120.610 119.800 0.003 0.000 2.096 170 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 170 Q C 1.279 177.282 176.000 0.005 0.000 0.982 170 Q CA 1.827 57.632 55.803 0.003 0.000 0.850 170 Q CB 0.126 28.867 28.738 0.004 0.000 0.901 170 Q HN 0.451 nan 8.270 nan 0.000 0.422 171 N N 0.136 118.841 118.700 0.008 0.000 2.203 171 N HA 0.021 4.761 4.740 0.001 0.000 0.207 171 N C -0.522 174.994 175.510 0.010 0.000 1.130 171 N CA 0.272 53.328 53.050 0.010 0.000 0.861 171 N CB 0.476 38.970 38.487 0.012 0.000 1.005 171 N HN 0.273 nan 8.380 nan 0.000 0.507 172 N N 1.394 120.100 118.700 0.009 0.000 2.716 172 N HA -0.219 4.522 4.740 0.001 0.000 0.250 172 N C -0.931 174.588 175.510 0.016 0.000 1.033 172 N CA 0.968 54.024 53.050 0.009 0.000 0.727 172 N CB -0.834 37.656 38.487 0.004 0.000 0.950 172 N HN 0.554 nan 8.380 nan 0.000 0.541 173 K N -1.561 118.854 120.400 0.024 0.000 2.444 173 K HA 0.605 4.926 4.320 0.001 0.000 0.252 173 K C -0.810 175.821 176.600 0.052 0.000 0.993 173 K CA -1.230 55.078 56.287 0.034 0.000 0.847 173 K CB 1.320 33.837 32.500 0.029 0.000 1.340 173 K HN 0.000 nan 8.250 nan 0.000 0.446 174 L N 3.270 124.534 121.223 0.069 0.000 2.295 174 L HA 0.214 4.555 4.340 0.001 0.000 0.288 174 L C 0.184 177.114 176.870 0.100 0.000 1.079 174 L CA -0.125 54.779 54.840 0.107 0.000 0.830 174 L CB 0.127 42.270 42.059 0.140 0.000 1.200 174 L HN 0.848 nan 8.230 nan 0.000 0.438 175 L N 3.012 124.292 121.223 0.096 0.000 2.209 175 L HA 0.154 4.494 4.340 0.001 0.000 0.207 175 L C 0.656 177.589 176.870 0.105 0.000 1.094 175 L CA 0.662 55.553 54.840 0.084 0.000 0.790 175 L CB -0.460 41.638 42.059 0.066 0.000 0.932 175 L HN 0.825 nan 8.230 nan 0.000 0.447 176 S N -2.484 113.299 115.700 0.139 0.000 2.547 176 S HA 0.435 4.905 4.470 0.001 0.000 0.270 176 S C -1.909 172.841 174.600 0.250 0.000 1.150 176 S CA -0.793 57.507 58.200 0.167 0.000 0.850 176 S CB 2.210 65.479 63.200 0.114 0.000 1.118 176 S HN 0.214 nan 8.310 nan 0.000 0.461 177 W N 2.251 123.577 121.300 0.043 0.000 2.934 177 W HA 0.572 5.233 4.660 0.001 0.000 0.333 177 W C -1.891 174.646 176.519 0.029 0.000 1.035 177 W CA -0.223 57.149 57.345 0.045 0.000 1.256 177 W CB 1.843 31.330 29.460 0.045 0.000 1.306 177 W HN 0.943 nan 8.180 nan 0.000 0.430 178 Q N 7.663 127.451 119.800 -0.021 0.000 2.350 178 Q HA 0.440 4.781 4.340 0.001 0.000 0.255 178 Q C -2.673 173.286 176.000 -0.068 0.000 0.951 178 Q CA -1.777 54.042 55.803 0.026 0.000 0.751 178 Q CB 2.503 31.259 28.738 0.031 0.000 1.296 178 Q HN 0.061 nan 8.270 nan 0.000 0.453 179 P HA 0.165 nan 4.420 nan 0.000 0.271 179 P C -0.640 176.620 177.300 -0.067 0.000 1.216 179 P CA -0.074 62.995 63.100 -0.051 0.000 0.771 179 P CB 0.545 32.243 31.700 -0.003 0.000 0.864 180 I N 3.403 123.898 120.570 -0.125 0.000 2.359 180 I HA 0.158 4.329 4.170 0.001 0.000 0.284 180 I C 0.954 176.979 176.117 -0.154 0.000 1.018 180 I CA -1.187 60.021 61.300 -0.153 0.000 1.173 180 I CB 0.434 38.265 38.000 -0.282 0.000 1.326 180 I HN 0.310 nan 8.210 nan 0.000 0.462 181 K N 5.279 125.627 120.400 -0.086 0.000 2.448 181 K HA 0.084 4.404 4.320 0.001 0.000 0.278 181 K C -0.157 176.383 176.600 -0.100 0.000 1.009 181 K CA -0.132 56.114 56.287 -0.068 0.000 0.995 181 K CB 1.208 33.688 32.500 -0.032 0.000 0.917 181 K HN 0.517 nan 8.250 nan 0.000 0.481 182 D N -0.993 119.334 120.400 -0.121 0.000 2.235 182 D HA -0.184 4.457 4.640 0.001 0.000 0.173 182 D C 0.074 176.257 176.300 -0.196 0.000 1.522 182 D CA 2.093 56.017 54.000 -0.127 0.000 1.559 182 D CB -1.201 39.570 40.800 -0.048 0.000 1.362 182 D HN 0.877 nan 8.370 nan 0.000 0.511 183 A N 2.027 124.703 122.820 -0.240 0.000 2.546 183 A HA 0.185 4.505 4.320 0.001 0.000 0.243 183 A C 0.296 177.659 177.584 -0.369 0.000 1.063 183 A CA 0.669 52.523 52.037 -0.306 0.000 0.757 183 A CB 0.044 18.646 19.000 -0.664 0.000 0.991 183 A HN 0.281 nan 8.150 nan 0.000 0.503 184 H N 1.285 120.261 119.070 -0.156 0.000 2.472 184 H HA 0.420 4.976 4.556 0.001 0.000 0.335 184 H C 0.983 176.263 175.328 -0.081 0.000 1.136 184 H CA 0.455 56.422 56.048 -0.134 0.000 1.264 184 H CB 1.561 31.261 29.762 -0.103 0.000 1.486 184 H HN 0.850 nan 8.280 nan 0.000 0.517 185 G N 1.528 110.338 108.800 0.015 0.000 2.537 185 G HA2 0.315 4.276 3.960 0.001 0.000 0.273 185 G HA3 0.315 4.276 3.960 0.001 0.000 0.273 185 G C 0.656 175.568 174.900 0.019 0.000 1.189 185 G CA -0.702 44.419 45.100 0.035 0.000 0.881 185 G HN 0.647 nan 8.290 nan 0.000 0.535 186 M N -0.058 119.545 119.600 0.005 0.000 2.103 186 M HA 0.435 4.916 4.480 0.001 0.000 0.291 186 M C -0.271 175.964 176.300 -0.109 0.000 1.216 186 M CA -0.340 54.923 55.300 -0.061 0.000 1.132 186 M CB 0.380 32.953 32.600 -0.046 0.000 1.396 186 M HN 0.124 nan 8.290 nan 0.000 0.479 187 V N 2.225 122.009 119.914 -0.217 0.000 2.555 187 V HA 0.299 4.420 4.120 0.001 0.000 0.286 187 V C 0.321 176.374 176.094 -0.067 0.000 1.044 187 V CA -0.322 61.848 62.300 -0.216 0.000 1.026 187 V CB 0.501 32.045 31.823 -0.466 0.000 0.981 187 V HN 0.649 nan 8.190 nan 0.000 0.480 188 L N 3.689 124.886 121.223 -0.043 0.000 2.319 188 L HA 0.411 4.752 4.340 0.001 0.000 0.267 188 L C 1.059 177.871 176.870 -0.097 0.000 1.011 188 L CA -0.787 54.002 54.840 -0.085 0.000 0.818 188 L CB 1.744 43.701 42.059 -0.171 0.000 1.316 188 L HN 0.477 nan 8.230 nan 0.000 0.432 189 L N 1.420 122.479 121.223 -0.272 0.000 2.021 189 L HA -0.267 4.074 4.340 0.001 0.000 0.215 189 L C 2.142 178.926 176.870 -0.143 0.000 1.074 189 L CA 2.144 56.862 54.840 -0.203 0.000 0.760 189 L CB -0.325 41.574 42.059 -0.267 0.000 0.889 189 L HN 0.889 nan 8.230 nan 0.000 0.433 190 D N -2.199 117.950 120.400 -0.419 0.000 2.378 190 D HA -0.188 4.452 4.640 0.001 0.000 0.222 190 D C 1.369 177.651 176.300 -0.030 0.000 0.980 190 D CA 0.775 54.684 54.000 -0.152 0.000 0.907 190 D CB -0.491 40.243 40.800 -0.110 0.000 0.899 190 D HN 0.373 nan 8.370 nan 0.000 0.527 191 D N 0.039 120.431 120.400 -0.014 0.000 2.149 191 D HA -0.082 4.558 4.640 0.001 0.000 0.201 191 D C 1.702 178.012 176.300 0.017 0.000 0.972 191 D CA 0.495 54.483 54.000 -0.019 0.000 0.835 191 D CB -0.475 40.285 40.800 -0.067 0.000 0.966 191 D HN 0.210 nan 8.370 nan 0.000 0.476 192 F N 1.640 121.560 119.950 -0.049 0.000 2.126 192 F HA -0.175 4.352 4.527 0.001 0.000 0.299 192 F C 2.467 178.248 175.800 -0.032 0.000 1.096 192 F CA 1.185 59.178 58.000 -0.012 0.000 1.255 192 F CB -0.586 38.430 39.000 0.027 0.000 0.997 192 F HN -0.073 nan 8.300 nan 0.000 0.479 193 A N -0.896 122.017 122.820 0.155 0.000 1.872 193 A HA -0.133 4.187 4.320 0.001 0.000 0.214 193 A C 2.393 179.986 177.584 0.014 0.000 1.187 193 A CA 1.734 53.814 52.037 0.072 0.000 0.614 193 A CB -1.182 17.857 19.000 0.065 0.000 0.826 193 A HN 0.275 nan 8.150 nan 0.000 0.442 194 S N -0.424 115.276 115.700 0.001 0.000 2.380 194 S HA -0.220 4.250 4.470 0.001 0.000 0.229 194 S C 1.921 176.480 174.600 -0.068 0.000 1.050 194 S CA 1.749 59.929 58.200 -0.033 0.000 1.100 194 S CB -0.721 62.454 63.200 -0.041 0.000 0.984 194 S HN 0.334 nan 8.310 nan 0.000 0.434 195 V N 1.437 121.297 119.914 -0.090 0.000 2.255 195 V HA -0.230 3.890 4.120 0.001 0.000 0.247 195 V C 2.617 178.618 176.094 -0.154 0.000 1.051 195 V CA 2.298 64.514 62.300 -0.140 0.000 1.018 195 V CB -0.717 31.000 31.823 -0.177 0.000 0.641 195 V HN 0.430 nan 8.190 nan 0.000 0.445 196 Q N 0.142 119.875 119.800 -0.110 0.000 2.181 196 Q HA -0.223 4.118 4.340 0.001 0.000 0.205 196 Q C 1.820 177.751 176.000 -0.116 0.000 0.980 196 Q CA 2.383 58.118 55.803 -0.115 0.000 0.862 196 Q CB -0.440 28.262 28.738 -0.059 0.000 0.905 196 Q HN 0.722 nan 8.270 nan 0.000 0.429 197 N N -1.066 117.581 118.700 -0.087 0.000 2.173 197 N HA 0.041 4.781 4.740 0.001 0.000 0.184 197 N C 1.402 176.859 175.510 -0.089 0.000 1.025 197 N CA 1.258 54.267 53.050 -0.068 0.000 0.852 197 N CB 0.003 38.464 38.487 -0.043 0.000 0.998 197 N HN 0.273 nan 8.380 nan 0.000 0.427 198 I N -0.095 120.409 120.570 -0.111 0.000 2.252 198 I HA -0.203 3.968 4.170 0.001 0.000 0.245 198 I C 1.433 177.445 176.117 -0.176 0.000 1.102 198 I CA 0.693 61.921 61.300 -0.120 0.000 1.385 198 I CB -0.165 37.762 38.000 -0.120 0.000 1.064 198 I HN 0.121 nan 8.210 nan 0.000 0.414 199 I N 1.210 121.608 120.570 -0.287 0.000 2.264 199 I HA -0.283 3.888 4.170 0.001 0.000 0.248 199 I C 2.123 178.086 176.117 -0.258 0.000 1.111 199 I CA 1.486 62.492 61.300 -0.490 0.000 1.382 199 I CB -0.787 36.738 38.000 -0.791 0.000 1.060 199 I HN 0.231 nan 8.210 nan 0.000 0.418 200 N N 0.460 119.066 118.700 -0.157 0.000 2.188 200 N HA -0.114 4.626 4.740 0.001 0.000 0.184 200 N C 1.331 176.821 175.510 -0.034 0.000 1.018 200 N CA 0.957 53.965 53.050 -0.070 0.000 0.858 200 N CB -0.406 38.048 38.487 -0.055 0.000 0.989 200 N HN 0.317 nan 8.380 nan 0.000 0.426 201 N N -0.194 118.480 118.700 -0.044 0.000 2.383 201 N HA 0.002 4.742 4.740 0.001 0.000 0.192 201 N C -0.407 175.100 175.510 -0.005 0.000 1.141 201 N CA 0.152 53.190 53.050 -0.021 0.000 0.851 201 N CB 0.139 38.611 38.487 -0.026 0.000 0.976 201 N HN -0.047 nan 8.380 nan 0.000 0.465 202 S N 1.511 117.214 115.700 0.005 0.000 2.399 202 S HA 0.064 4.535 4.470 0.001 0.000 0.301 202 S C 1.352 176.003 174.600 0.086 0.000 1.093 202 S CA -0.687 57.543 58.200 0.050 0.000 1.077 202 S CB 0.605 63.851 63.200 0.078 0.000 0.980 202 S HN 0.189 nan 8.310 nan 0.000 0.494 203 E N 4.643 124.875 120.200 0.053 0.000 2.118 203 E HA -0.239 4.111 4.350 0.001 0.000 0.195 203 E C 1.444 178.073 176.600 0.049 0.000 0.992 203 E CA 1.460 57.886 56.400 0.043 0.000 0.804 203 E CB -0.417 29.297 29.700 0.024 0.000 0.741 203 E HN 0.857 nan 8.360 nan 0.000 0.458 204 E N -0.197 120.039 120.200 0.059 0.000 2.028 204 E HA -0.121 4.230 4.350 0.001 0.000 0.190 204 E C 2.012 178.643 176.600 0.051 0.000 0.984 204 E CA 0.759 57.185 56.400 0.043 0.000 0.800 204 E CB -0.370 29.357 29.700 0.045 0.000 0.758 204 E HN 0.223 nan 8.360 nan 0.000 0.448 205 F N 1.218 121.151 119.950 -0.028 0.000 2.120 205 F HA -0.243 4.285 4.527 0.001 0.000 0.300 205 F C 2.095 177.878 175.800 -0.027 0.000 1.095 205 F CA 1.769 59.750 58.000 -0.031 0.000 1.249 205 F CB -0.469 38.508 39.000 -0.037 0.000 0.995 205 F HN 0.144 nan 8.300 nan 0.000 0.480 206 A N -0.117 122.805 122.820 0.169 0.000 1.978 206 A HA -0.117 4.204 4.320 0.001 0.000 0.220 206 A C 2.343 179.909 177.584 -0.030 0.000 1.170 206 A CA 1.843 53.926 52.037 0.076 0.000 0.636 206 A CB -1.426 17.619 19.000 0.076 0.000 0.810 206 A HN 0.498 nan 8.150 nan 0.000 0.448 207 A N -0.296 122.496 122.820 -0.046 0.000 1.874 207 A HA 0.285 4.605 4.320 0.001 0.000 0.214 207 A C 2.519 180.032 177.584 -0.118 0.000 1.189 207 A CA 1.712 53.710 52.037 -0.064 0.000 0.615 207 A CB -1.081 17.893 19.000 -0.042 0.000 0.830 207 A HN 1.057 nan 8.150 nan 0.000 0.443 208 A N -0.516 122.191 122.820 -0.188 0.000 1.917 208 A HA -0.080 4.241 4.320 0.001 0.000 0.219 208 A C 2.236 179.656 177.584 -0.272 0.000 1.182 208 A CA 1.997 53.884 52.037 -0.249 0.000 0.633 208 A CB -0.947 17.834 19.000 -0.366 0.000 0.819 208 A HN 0.397 nan 8.150 nan 0.000 0.448 209 V N -0.116 119.595 119.914 -0.338 0.000 2.453 209 V HA -0.202 3.918 4.120 0.001 0.000 0.247 209 V C 2.521 178.545 176.094 -0.117 0.000 1.048 209 V CA 2.217 64.368 62.300 -0.247 0.000 1.049 209 V CB -0.482 31.218 31.823 -0.205 0.000 0.672 209 V HN 0.644 nan 8.190 nan 0.000 0.457 210 K N 0.920 121.268 120.400 -0.088 0.000 2.148 210 K HA -0.179 4.142 4.320 0.001 0.000 0.204 210 K C 1.956 178.527 176.600 -0.048 0.000 1.050 210 K CA 1.383 57.641 56.287 -0.049 0.000 0.942 210 K CB -0.052 32.428 32.500 -0.033 0.000 0.724 210 K HN 0.584 nan 8.250 nan 0.000 0.446 211 K N -0.145 120.218 120.400 -0.063 0.000 2.505 211 K HA -0.007 4.314 4.320 0.001 0.000 0.192 211 K C 0.563 177.134 176.600 -0.048 0.000 1.025 211 K CA 0.333 56.590 56.287 -0.050 0.000 1.086 211 K CB 0.259 32.729 32.500 -0.050 0.000 0.840 211 K HN -0.040 nan 8.250 nan 0.000 0.514 212 R N 0.518 120.983 120.500 -0.057 0.000 2.831 212 R HA 0.133 4.473 4.340 0.001 0.000 0.337 212 R C 0.238 176.524 176.300 -0.023 0.000 1.200 212 R CA 0.261 56.336 56.100 -0.042 0.000 1.088 212 R CB 0.621 30.886 30.300 -0.060 0.000 1.397 212 R HN 0.539 nan 8.270 nan 0.000 0.581 213 G N 0.819 109.608 108.800 -0.018 0.000 2.234 213 G HA2 -0.293 3.668 3.960 0.001 0.000 0.260 213 G HA3 -0.293 3.668 3.960 0.001 0.000 0.260 213 G C 0.123 175.020 174.900 -0.004 0.000 0.987 213 G CA -0.162 44.934 45.100 -0.006 0.000 0.625 213 G HN 0.243 nan 8.290 nan 0.000 0.532 214 I N 2.356 122.919 120.570 -0.011 0.000 2.379 214 I HA 0.377 4.548 4.170 0.001 0.000 0.290 214 I C 1.841 177.956 176.117 -0.003 0.000 1.063 214 I CA 0.878 62.176 61.300 -0.003 0.000 1.351 214 I CB 1.524 39.523 38.000 -0.001 0.000 1.410 214 I HN 0.290 nan 8.210 nan 0.000 0.505 215 T N 0.385 114.940 114.554 0.002 0.000 3.010 215 T HA 0.053 4.403 4.350 0.001 0.000 0.252 215 T C 0.683 175.387 174.700 0.006 0.000 1.047 215 T CA 0.222 62.323 62.100 0.002 0.000 1.140 215 T CB 0.006 68.875 68.868 0.002 0.000 0.885 215 T HN 0.424 nan 8.240 nan 0.000 0.464 216 D N 1.025 121.431 120.400 0.009 0.000 2.460 216 D HA 0.636 5.276 4.640 0.001 0.000 0.232 216 D C 1.068 177.381 176.300 0.022 0.000 1.079 216 D CA -0.310 53.698 54.000 0.013 0.000 0.864 216 D CB 1.246 42.051 40.800 0.009 0.000 1.048 216 D HN 0.214 nan 8.370 nan 0.000 0.523 217 A N 4.926 127.764 122.820 0.030 0.000 1.972 217 A HA -0.164 4.156 4.320 0.001 0.000 0.219 217 A C 1.899 179.508 177.584 0.041 0.000 1.169 217 A CA 0.945 53.014 52.037 0.052 0.000 0.635 217 A CB -0.249 18.794 19.000 0.072 0.000 0.810 217 A HN 0.539 nan 8.150 nan 0.000 0.446 218 K N -0.019 120.395 120.400 0.024 0.000 2.362 218 K HA -0.126 4.195 4.320 0.001 0.000 0.202 218 K C 0.778 177.382 176.600 0.007 0.000 1.045 218 K CA 0.844 57.137 56.287 0.011 0.000 0.936 218 K CB -0.177 32.327 32.500 0.007 0.000 0.747 218 K HN 0.216 nan 8.250 nan 0.000 0.467 219 K N 1.076 121.484 120.400 0.014 0.000 2.458 219 K HA 0.109 4.430 4.320 0.001 0.000 0.194 219 K C 0.039 176.647 176.600 0.014 0.000 1.024 219 K CA -0.006 56.288 56.287 0.011 0.000 1.108 219 K CB 0.114 32.622 32.500 0.013 0.000 0.846 219 K HN -0.098 nan 8.250 nan 0.000 0.518 220 V N 2.360 122.285 119.914 0.019 0.000 2.406 220 V HA 0.224 4.344 4.120 0.001 0.000 0.272 220 V C 0.111 176.180 176.094 -0.042 0.000 1.043 220 V CA -0.735 61.583 62.300 0.029 0.000 0.915 220 V CB 0.967 32.853 31.823 0.105 0.000 0.988 220 V HN -0.030 nan 8.190 nan 0.000 0.466 221 I N 5.309 125.827 120.570 -0.087 0.000 2.321 221 I HA 0.359 4.529 4.170 0.001 0.000 0.291 221 I C 0.834 176.851 176.117 -0.166 0.000 0.998 221 I CA 0.306 61.453 61.300 -0.255 0.000 1.227 221 I CB 1.805 39.417 38.000 -0.646 0.000 1.368 221 I HN 0.776 nan 8.210 nan 0.000 0.466 222 T N 1.223 115.683 114.554 -0.157 0.000 2.881 222 T HA 0.689 5.039 4.350 0.001 0.000 0.278 222 T C -0.053 174.605 174.700 -0.070 0.000 0.982 222 T CA -0.655 61.384 62.100 -0.101 0.000 0.989 222 T CB 1.729 70.504 68.868 -0.155 0.000 1.058 222 T HN 0.548 nan 8.240 nan 0.000 0.529 223 T N 2.196 116.742 114.554 -0.014 0.000 3.105 223 T HA 0.566 4.916 4.350 0.001 0.000 0.321 223 T C -3.179 171.489 174.700 -0.054 0.000 1.135 223 T CA -1.416 60.702 62.100 0.030 0.000 1.053 223 T CB 1.748 70.745 68.868 0.215 0.000 1.133 223 T HN 0.606 nan 8.240 nan 0.000 0.463 224 P HA 0.567 nan 4.420 nan 0.000 0.293 224 P C -1.126 176.125 177.300 -0.081 0.000 1.300 224 P CA -0.551 62.397 63.100 -0.252 0.000 0.792 224 P CB 0.920 32.299 31.700 -0.534 0.000 0.925 225 L N 2.144 123.336 121.223 -0.052 0.000 2.341 225 L HA 0.593 4.933 4.340 0.001 0.000 0.267 225 L C 1.095 177.940 176.870 -0.042 0.000 1.009 225 L CA -0.760 54.063 54.840 -0.027 0.000 0.819 225 L CB 1.993 44.048 42.059 -0.006 0.000 1.323 225 L HN 0.324 nan 8.230 nan 0.000 0.425 226 T N -2.068 112.462 114.554 -0.039 0.000 2.874 226 T HA 0.288 4.639 4.350 0.001 0.000 0.281 226 T C 0.893 175.605 174.700 0.020 0.000 0.994 226 T CA -0.398 61.665 62.100 -0.062 0.000 1.015 226 T CB 1.562 70.380 68.868 -0.083 0.000 1.028 226 T HN 0.477 nan 8.240 nan 0.000 0.523 227 V N -1.925 117.962 119.914 -0.046 0.000 3.590 227 V HA 0.539 4.660 4.120 0.001 0.000 0.265 227 V C 1.361 177.505 176.094 0.083 0.000 1.239 227 V CA 0.572 62.846 62.300 -0.043 0.000 1.117 227 V CB -1.604 30.122 31.823 -0.162 0.000 0.818 227 V HN 1.641 nan 8.190 nan 0.000 0.451 228 G N 0.400 109.206 108.800 0.010 0.000 2.562 228 G HA2 -0.264 3.697 3.960 0.001 0.000 0.250 228 G HA3 -0.264 3.697 3.960 0.001 0.000 0.250 228 G C -0.661 174.161 174.900 -0.130 0.000 1.269 228 G CA 0.459 45.519 45.100 -0.066 0.000 0.919 228 G HN 1.593 nan 8.290 nan 0.000 0.574 229 Y N -0.921 119.030 120.300 -0.582 0.000 2.401 229 Y HA 0.637 5.188 4.550 0.001 0.000 0.330 229 Y C -0.709 174.602 175.900 -0.982 0.000 1.071 229 Y CA -1.307 56.448 58.100 -0.574 0.000 1.049 229 Y CB 1.250 39.452 38.460 -0.430 0.000 1.239 229 Y HN 0.594 nan 8.280 nan 0.000 0.437 230 F N 4.009 123.192 119.950 -1.280 0.000 2.777 230 F HA 0.217 4.745 4.527 0.001 0.000 0.361 230 F C 0.355 175.441 175.800 -1.191 0.000 1.254 230 F CA -0.734 56.656 58.000 -1.016 0.000 1.181 230 F CB 0.365 39.183 39.000 -0.303 0.000 1.082 230 F HN 0.604 nan 8.300 nan 0.000 0.510 231 D N 1.311 120.509 120.400 -2.003 0.000 2.702 231 D HA -0.194 4.447 4.640 0.001 0.000 0.233 231 D C 1.431 177.501 176.300 -0.384 0.000 1.164 231 D CA 1.660 55.086 54.000 -0.958 0.000 0.638 231 D CB -0.809 39.732 40.800 -0.431 0.000 1.041 231 D HN 0.807 nan 8.370 nan 0.000 0.422 232 G N -0.292 108.299 108.800 -0.349 0.000 2.268 232 G HA2 -0.444 3.516 3.960 0.001 0.000 0.240 232 G HA3 -0.444 3.516 3.960 0.001 0.000 0.240 232 G C 1.177 176.016 174.900 -0.102 0.000 1.010 232 G CA 0.750 45.759 45.100 -0.152 0.000 0.618 232 G HN 0.555 nan 8.290 nan 0.000 0.516 233 K N 0.825 121.171 120.400 -0.090 0.000 2.211 233 K HA -0.062 4.258 4.320 0.001 0.000 0.204 233 K C 1.938 178.471 176.600 -0.110 0.000 1.047 233 K CA 1.716 57.956 56.287 -0.079 0.000 0.935 233 K CB -0.143 32.319 32.500 -0.062 0.000 0.728 233 K HN 0.675 nan 8.250 nan 0.000 0.452 234 D N -1.151 119.204 120.400 -0.076 0.000 2.349 234 D HA 0.021 4.661 4.640 0.001 0.000 0.215 234 D C 0.907 177.177 176.300 -0.050 0.000 1.016 234 D CA 0.661 54.634 54.000 -0.045 0.000 0.870 234 D CB -0.055 40.769 40.800 0.040 0.000 0.917 234 D HN 0.165 nan 8.370 nan 0.000 0.524 235 G N 0.303 109.067 108.800 -0.060 0.000 2.225 235 G HA2 -0.222 3.739 3.960 0.001 0.000 0.264 235 G HA3 -0.222 3.739 3.960 0.001 0.000 0.264 235 G C -0.294 174.574 174.900 -0.054 0.000 1.060 235 G CA 0.223 45.291 45.100 -0.055 0.000 0.833 235 G HN 0.398 nan 8.290 nan 0.000 0.498 236 L N -0.696 120.493 121.223 -0.057 0.000 2.362 236 L HA 0.511 4.852 4.340 0.001 0.000 0.275 236 L C 0.631 177.475 176.870 -0.043 0.000 0.998 236 L CA -1.070 53.736 54.840 -0.057 0.000 0.820 236 L CB 1.963 43.979 42.059 -0.071 0.000 1.270 236 L HN 0.054 nan 8.230 nan 0.000 0.415 237 K N 1.211 121.591 120.400 -0.032 0.000 2.412 237 K HA -0.020 4.300 4.320 0.001 0.000 0.281 237 K C 0.735 177.339 176.600 0.007 0.000 1.027 237 K CA -0.094 56.185 56.287 -0.013 0.000 0.989 237 K CB 1.055 33.548 32.500 -0.011 0.000 0.935 237 K HN 0.441 nan 8.250 nan 0.000 0.475 238 Q N 2.278 122.098 119.800 0.033 0.000 2.364 238 Q HA -0.165 4.175 4.340 0.001 0.000 0.209 238 Q C 0.109 176.184 176.000 0.126 0.000 0.977 238 Q CA 1.812 57.659 55.803 0.074 0.000 0.885 238 Q CB 0.116 28.913 28.738 0.100 0.000 0.941 238 Q HN 0.648 nan 8.270 nan 0.000 0.464 239 D N -1.481 118.972 120.400 0.089 0.000 2.696 239 D HA 0.334 4.974 4.640 0.001 0.000 0.269 239 D C -0.735 175.593 176.300 0.046 0.000 1.319 239 D CA -0.140 53.905 54.000 0.075 0.000 0.826 239 D CB -0.152 40.647 40.800 -0.001 0.000 1.086 239 D HN 0.158 nan 8.370 nan 0.000 0.481 240 A N 0.275 123.155 122.820 0.100 0.000 2.374 240 A HA 0.656 4.977 4.320 0.001 0.000 0.317 240 A C -0.239 177.398 177.584 0.088 0.000 1.094 240 A CA -1.064 50.997 52.037 0.039 0.000 0.765 240 A CB 1.283 20.278 19.000 -0.008 0.000 1.268 240 A HN 0.147 nan 8.150 nan 0.000 0.438 241 R N 2.115 122.631 120.500 0.027 0.000 2.351 241 R HA 0.437 4.777 4.340 0.001 0.000 0.321 241 R C -1.233 175.035 176.300 -0.053 0.000 1.182 241 R CA 0.179 56.290 56.100 0.018 0.000 1.011 241 R CB -0.474 29.812 30.300 -0.022 0.000 1.048 241 R HN 0.651 nan 8.270 nan 0.000 0.490 242 L N 5.409 126.577 121.223 -0.093 0.000 2.333 242 L HA 0.628 4.968 4.340 0.001 0.000 0.269 242 L C -0.573 176.210 176.870 -0.146 0.000 1.010 242 L CA -1.160 53.608 54.840 -0.120 0.000 0.818 242 L CB 1.886 43.869 42.059 -0.127 0.000 1.306 242 L HN 0.479 nan 8.230 nan 0.000 0.430 243 L N 1.365 122.497 121.223 -0.152 0.000 2.434 243 L HA 0.507 4.847 4.340 0.001 0.000 0.260 243 L C -0.762 176.003 176.870 -0.176 0.000 0.983 243 L CA -0.790 53.951 54.840 -0.165 0.000 0.820 243 L CB 2.848 44.803 42.059 -0.174 0.000 1.361 243 L HN 0.518 nan 8.230 nan 0.000 0.410 244 K N 1.062 121.353 120.400 -0.182 0.000 2.110 244 K HA 0.676 4.997 4.320 0.001 0.000 0.263 244 K C -1.230 175.302 176.600 -0.113 0.000 0.975 244 K CA -0.698 55.465 56.287 -0.205 0.000 0.895 244 K CB 2.419 34.667 32.500 -0.420 0.000 1.060 244 K HN 0.201 nan 8.250 nan 0.000 0.448 245 V N 4.545 124.400 119.914 -0.100 0.000 2.444 245 V HA 0.300 4.421 4.120 0.001 0.000 0.294 245 V C -0.470 175.605 176.094 -0.032 0.000 1.022 245 V CA -0.885 61.367 62.300 -0.079 0.000 0.850 245 V CB 1.362 33.106 31.823 -0.130 0.000 0.992 245 V HN 0.597 nan 8.190 nan 0.000 0.426 246 I N 3.425 123.978 120.570 -0.028 0.000 2.498 246 I HA 0.571 4.742 4.170 0.001 0.000 0.301 246 I C 0.413 176.456 176.117 -0.124 0.000 0.984 246 I CA 0.053 61.304 61.300 -0.083 0.000 1.204 246 I CB 2.063 39.998 38.000 -0.108 0.000 1.362 246 I HN 0.551 nan 8.210 nan 0.000 0.471 247 S N 4.878 120.417 115.700 -0.269 0.000 2.536 247 S HA 0.740 5.211 4.470 0.001 0.000 0.298 247 S C -1.209 173.058 174.600 -0.554 0.000 1.083 247 S CA -0.441 57.619 58.200 -0.234 0.000 0.995 247 S CB 1.776 65.000 63.200 0.040 0.000 1.058 247 S HN 0.322 nan 8.310 nan 0.000 0.488 248 Y N 0.745 121.058 120.300 0.021 0.000 2.570 248 Y HA 0.631 5.182 4.550 0.001 0.000 0.345 248 Y C -0.509 175.435 175.900 0.073 0.000 1.014 248 Y CA -1.113 57.037 58.100 0.085 0.000 1.063 248 Y CB 1.051 39.587 38.460 0.128 0.000 1.272 248 Y HN 0.470 nan 8.280 nan 0.000 0.477 249 L N 2.663 124.066 121.223 0.301 0.000 2.275 249 L HA 0.415 4.755 4.340 0.001 0.000 0.288 249 L C -0.647 176.331 176.870 0.180 0.000 1.046 249 L CA -0.374 54.574 54.840 0.179 0.000 0.805 249 L CB 0.691 42.825 42.059 0.125 0.000 1.193 249 L HN 0.597 nan 8.230 nan 0.000 0.426 250 D N 3.637 124.094 120.400 0.096 0.000 2.295 250 D HA 0.171 4.811 4.640 0.001 0.000 0.248 250 D C 0.199 176.501 176.300 0.005 0.000 1.154 250 D CA 0.022 54.074 54.000 0.086 0.000 0.857 250 D CB 1.421 42.252 40.800 0.052 0.000 1.117 250 D HN 0.382 nan 8.370 nan 0.000 0.468 251 V N 3.068 122.957 119.914 -0.042 0.000 3.528 251 V HA 0.274 4.395 4.120 0.001 0.000 0.294 251 V C 1.614 177.682 176.094 -0.043 0.000 1.404 251 V CA 0.413 62.641 62.300 -0.120 0.000 1.065 251 V CB 0.200 31.797 31.823 -0.377 0.000 0.904 251 V HN 0.917 nan 8.190 nan 0.000 0.435 252 G N 2.136 110.938 108.800 0.005 0.000 2.157 252 G HA2 -0.252 3.709 3.960 0.001 0.000 0.248 252 G HA3 -0.252 3.709 3.960 0.001 0.000 0.248 252 G C 0.417 175.323 174.900 0.009 0.000 0.979 252 G CA 0.483 45.588 45.100 0.009 0.000 0.650 252 G HN 0.684 nan 8.290 nan 0.000 0.529 253 D N -0.177 120.244 120.400 0.035 0.000 2.340 253 D HA 0.386 5.026 4.640 0.001 0.000 0.217 253 D C 1.759 178.026 176.300 -0.056 0.000 1.081 253 D CA 0.441 54.448 54.000 0.013 0.000 0.842 253 D CB -0.535 40.312 40.800 0.080 0.000 0.934 253 D HN 1.517 nan 8.370 nan 0.000 0.511 254 G N 0.917 109.705 108.800 -0.021 0.000 2.155 254 G HA2 -0.337 3.623 3.960 0.001 0.000 0.257 254 G HA3 -0.337 3.623 3.960 0.001 0.000 0.257 254 G C 0.248 175.122 174.900 -0.043 0.000 0.983 254 G CA 0.282 45.337 45.100 -0.075 0.000 0.676 254 G HN 0.575 nan 8.290 nan 0.000 0.528 255 N N -0.128 118.618 118.700 0.076 0.000 2.733 255 N HA 0.338 5.079 4.740 0.001 0.000 0.271 255 N C 1.070 176.664 175.510 0.139 0.000 1.720 255 N CA -0.414 52.737 53.050 0.167 0.000 0.803 255 N CB -0.174 38.427 38.487 0.190 0.000 1.208 255 N HN 0.378 nan 8.380 nan 0.000 0.498 256 Y N -1.099 119.257 120.300 0.093 0.000 2.384 256 Y HA 0.014 4.565 4.550 0.001 0.000 0.289 256 Y C 1.145 176.998 175.900 -0.079 0.000 1.152 256 Y CA 0.517 58.657 58.100 0.066 0.000 1.258 256 Y CB -0.727 37.653 38.460 -0.133 0.000 0.979 256 Y HN 0.231 nan 8.280 nan 0.000 0.549 257 W N 1.145 122.197 121.300 -0.414 0.000 2.421 257 W HA 0.019 4.680 4.660 0.001 0.000 0.270 257 W C 2.116 178.687 176.519 0.088 0.000 1.233 257 W CA 1.171 58.289 57.345 -0.379 0.000 1.226 257 W CB -0.178 29.057 29.460 -0.375 0.000 1.121 257 W HN 0.179 nan 8.180 nan 0.000 0.579 258 A N -0.594 122.327 122.820 0.168 0.000 2.370 258 A HA 0.085 4.406 4.320 0.001 0.000 0.238 258 A C 0.035 177.416 177.584 -0.340 0.000 1.289 258 A CA 0.299 52.392 52.037 0.093 0.000 0.885 258 A CB -0.689 18.269 19.000 -0.070 0.000 0.961 258 A HN 0.332 nan 8.150 nan 0.000 0.499 259 H N 0.212 119.565 119.070 0.471 0.000 2.597 259 H HA 0.195 4.751 4.556 0.001 0.000 0.225 259 H C -3.056 172.500 175.328 0.381 0.000 1.422 259 H CA -1.921 54.347 56.048 0.367 0.000 1.335 259 H CB -0.103 29.830 29.762 0.285 0.000 1.783 259 H HN 0.287 nan 8.280 nan 0.000 0.513 260 P HA 0.050 nan 4.420 nan 0.000 0.267 260 P C 0.451 177.786 177.300 0.058 0.000 1.205 260 P CA 0.088 63.273 63.100 0.140 0.000 0.765 260 P CB 1.177 32.997 31.700 0.200 0.000 0.828 261 I N 2.350 122.873 120.570 -0.078 0.000 2.256 261 I HA 0.173 4.344 4.170 0.001 0.000 0.294 261 I C 1.045 177.134 176.117 -0.048 0.000 1.127 261 I CA -0.483 60.794 61.300 -0.038 0.000 1.247 261 I CB -0.114 37.858 38.000 -0.047 0.000 1.460 261 I HN 0.247 nan 8.210 nan 0.000 0.511 262 E N 5.729 125.940 120.200 0.018 0.000 2.373 262 E HA 0.125 4.476 4.350 0.001 0.000 0.267 262 E C 0.335 176.964 176.600 0.048 0.000 1.032 262 E CA 0.410 56.850 56.400 0.067 0.000 0.889 262 E CB 0.385 30.155 29.700 0.117 0.000 0.984 262 E HN 0.463 nan 8.360 nan 0.000 0.425 263 N N 1.343 120.088 118.700 0.074 0.000 2.952 263 N HA -0.200 4.541 4.740 0.001 0.000 0.245 263 N C -1.255 174.263 175.510 0.013 0.000 1.029 263 N CA 0.532 53.620 53.050 0.063 0.000 0.870 263 N CB -1.400 37.120 38.487 0.055 0.000 1.121 263 N HN 0.320 nan 8.380 nan 0.000 0.559 264 L N 0.482 121.697 121.223 -0.015 0.000 2.349 264 L HA 0.703 5.044 4.340 0.001 0.000 0.278 264 L C -0.752 176.114 176.870 -0.008 0.000 0.996 264 L CA -0.779 54.035 54.840 -0.042 0.000 0.825 264 L CB 1.986 43.981 42.059 -0.107 0.000 1.243 264 L HN -0.114 nan 8.230 nan 0.000 0.412 265 V N 3.775 123.693 119.914 0.006 0.000 2.823 265 V HA 0.958 5.078 4.120 0.001 0.000 0.312 265 V C -0.266 175.849 176.094 0.036 0.000 1.072 265 V CA -0.373 61.933 62.300 0.011 0.000 0.937 265 V CB 1.699 33.500 31.823 -0.038 0.000 1.013 265 V HN 0.969 nan 8.190 nan 0.000 0.430 266 A N 2.938 125.781 122.820 0.038 0.000 2.371 266 A HA 0.887 5.207 4.320 0.001 0.000 0.311 266 A C -1.114 176.427 177.584 -0.071 0.000 1.068 266 A CA -0.572 51.487 52.037 0.037 0.000 0.744 266 A CB 1.830 20.896 19.000 0.111 0.000 1.239 266 A HN 0.681 nan 8.150 nan 0.000 0.435 267 V N 2.451 122.315 119.914 -0.083 0.000 2.398 267 V HA 0.508 4.629 4.120 0.001 0.000 0.286 267 V C -0.296 175.737 176.094 -0.103 0.000 1.026 267 V CA -0.484 61.742 62.300 -0.124 0.000 0.868 267 V CB 1.416 33.161 31.823 -0.129 0.000 0.982 267 V HN 0.648 nan 8.190 nan 0.000 0.443 268 V N 3.343 123.186 119.914 -0.118 0.000 2.495 268 V HA 0.412 4.533 4.120 0.001 0.000 0.298 268 V C -0.381 175.655 176.094 -0.097 0.000 1.031 268 V CA -0.588 61.648 62.300 -0.106 0.000 0.871 268 V CB 2.036 33.784 31.823 -0.124 0.000 0.988 268 V HN 0.882 nan 8.190 nan 0.000 0.432 269 D N 3.888 124.242 120.400 -0.078 0.000 2.396 269 D HA 0.290 4.930 4.640 0.001 0.000 0.225 269 D C 0.929 177.191 176.300 -0.064 0.000 1.121 269 D CA -0.132 53.828 54.000 -0.067 0.000 0.853 269 D CB 1.485 42.253 40.800 -0.053 0.000 1.043 269 D HN 0.440 nan 8.370 nan 0.000 0.500 270 L N 2.917 124.100 121.223 -0.068 0.000 2.131 270 L HA -0.135 4.205 4.340 0.001 0.000 0.210 270 L C 2.218 179.058 176.870 -0.050 0.000 1.092 270 L CA 0.766 55.567 54.840 -0.064 0.000 0.759 270 L CB -0.017 42.000 42.059 -0.070 0.000 0.903 270 L HN 0.400 nan 8.230 nan 0.000 0.435 271 E N 0.195 120.366 120.200 -0.048 0.000 2.007 271 E HA -0.235 4.115 4.350 0.001 0.000 0.194 271 E C 2.138 178.720 176.600 -0.031 0.000 0.999 271 E CA 1.297 57.674 56.400 -0.038 0.000 0.811 271 E CB -0.326 29.350 29.700 -0.040 0.000 0.762 271 E HN 0.570 nan 8.360 nan 0.000 0.450 272 Q N 0.485 120.266 119.800 -0.032 0.000 2.226 272 Q HA -0.083 4.257 4.340 0.001 0.000 0.204 272 Q C 0.064 176.046 176.000 -0.030 0.000 0.975 272 Q CA 0.525 56.311 55.803 -0.028 0.000 0.866 272 Q CB -0.124 28.597 28.738 -0.029 0.000 0.915 272 Q HN 0.198 nan 8.270 nan 0.000 0.440 273 K N 0.481 120.858 120.400 -0.038 0.000 3.162 273 K HA -0.179 4.142 4.320 0.001 0.000 0.268 273 K C -0.960 175.613 176.600 -0.044 0.000 1.062 273 K CA 0.588 56.850 56.287 -0.042 0.000 0.769 273 K CB -1.084 31.396 32.500 -0.032 0.000 1.274 273 K HN 0.131 nan 8.250 nan 0.000 0.478 274 K N 0.000 120.371 120.400 -0.048 0.000 2.512 274 K HA 0.485 4.806 4.320 0.001 0.000 0.263 274 K C -0.358 176.209 176.600 -0.053 0.000 0.966 274 K CA -0.930 55.330 56.287 -0.045 0.000 0.851 274 K CB 1.646 34.127 32.500 -0.032 0.000 1.395 274 K HN 0.038 nan 8.250 nan 0.000 0.440 275 I N 3.067 123.609 120.570 -0.047 0.000 2.363 275 I HA -0.016 4.154 4.170 0.001 0.000 0.292 275 I C 1.257 177.356 176.117 -0.029 0.000 1.075 275 I CA -0.209 61.066 61.300 -0.042 0.000 1.333 275 I CB 0.701 38.691 38.000 -0.016 0.000 1.415 275 I HN 0.432 nan 8.210 nan 0.000 0.502 276 V N 2.638 122.527 119.914 -0.041 0.000 3.623 276 V HA 0.228 4.349 4.120 0.001 0.000 0.271 276 V C 0.508 176.582 176.094 -0.033 0.000 1.248 276 V CA 0.329 62.607 62.300 -0.036 0.000 1.156 276 V CB -1.034 30.762 31.823 -0.044 0.000 0.870 276 V HN 0.828 nan 8.190 nan 0.000 0.453 277 K N 0.273 120.655 120.400 -0.030 0.000 2.610 277 K HA 0.527 4.848 4.320 0.001 0.000 0.267 277 K C -1.896 174.696 176.600 -0.012 0.000 0.943 277 K CA -0.684 55.587 56.287 -0.028 0.000 0.862 277 K CB 2.076 34.547 32.500 -0.048 0.000 1.376 277 K HN 0.118 nan 8.250 nan 0.000 0.412 278 I N 4.420 124.986 120.570 -0.006 0.000 2.595 278 I HA 0.169 4.339 4.170 0.001 0.000 0.275 278 I C -0.241 175.865 176.117 -0.017 0.000 1.092 278 I CA -0.661 60.641 61.300 0.004 0.000 1.145 278 I CB 1.403 39.410 38.000 0.012 0.000 1.276 278 I HN 0.560 nan 8.210 nan 0.000 0.497 279 E N 5.730 125.917 120.200 -0.022 0.000 2.414 279 E HA 0.149 4.499 4.350 0.001 0.000 0.263 279 E C -0.394 176.197 176.600 -0.015 0.000 1.000 279 E CA 0.364 56.755 56.400 -0.015 0.000 0.914 279 E CB 1.076 30.772 29.700 -0.006 0.000 0.948 279 E HN 0.500 nan 8.360 nan 0.000 0.444 280 E N 0.986 121.177 120.200 -0.015 0.000 2.292 280 E HA 0.480 4.830 4.350 0.001 0.000 0.272 280 E C -0.429 176.167 176.600 -0.006 0.000 0.881 280 E CA -0.602 55.784 56.400 -0.023 0.000 0.754 280 E CB 2.243 31.918 29.700 -0.042 0.000 1.201 280 E HN 0.590 nan 8.360 nan 0.000 0.425 281 G N 1.975 110.777 108.800 0.002 0.000 3.211 281 G HA2 0.582 4.543 3.960 0.001 0.000 0.262 281 G HA3 0.582 4.543 3.960 0.001 0.000 0.262 281 G C -2.706 172.199 174.900 0.008 0.000 1.352 281 G CA -1.324 43.785 45.100 0.015 0.000 1.004 281 G HN 0.228 nan 8.290 nan 0.000 0.559 282 P HA 0.166 nan 4.420 nan 0.000 0.264 282 P C -0.152 177.153 177.300 0.009 0.000 1.179 282 P CA -0.255 62.852 63.100 0.011 0.000 0.763 282 P CB 0.644 32.356 31.700 0.019 0.000 0.806 283 V N 4.508 124.423 119.914 0.001 0.000 2.439 283 V HA 0.076 4.197 4.120 0.001 0.000 0.271 283 V C 0.427 176.527 176.094 0.010 0.000 1.040 283 V CA 0.096 62.396 62.300 -0.001 0.000 1.002 283 V CB 0.826 32.644 31.823 -0.009 0.000 1.000 283 V HN 0.221 nan 8.190 nan 0.000 0.477 284 V N 7.996 127.921 119.914 0.018 0.000 2.409 284 V HA 0.375 4.496 4.120 0.001 0.000 0.291 284 V C -2.190 173.924 176.094 0.033 0.000 1.020 284 V CA -1.940 60.377 62.300 0.029 0.000 0.848 284 V CB 1.831 33.678 31.823 0.041 0.000 0.990 284 V HN 0.740 nan 8.190 nan 0.000 0.430 285 P HA 0.099 nan 4.420 nan 0.000 0.264 285 P C -0.251 177.089 177.300 0.067 0.000 1.193 285 P CA -0.037 63.088 63.100 0.042 0.000 0.763 285 P CB 0.382 32.106 31.700 0.040 0.000 0.810 286 V N 6.750 126.708 119.914 0.074 0.000 2.557 286 V HA -0.007 4.113 4.120 0.001 0.000 0.301 286 V C -1.777 174.406 176.094 0.149 0.000 1.026 286 V CA -0.803 61.567 62.300 0.116 0.000 1.137 286 V CB -0.498 31.392 31.823 0.112 0.000 0.917 286 V HN 0.574 nan 8.190 nan 0.000 0.484 287 P HA 0.157 nan 4.420 nan 0.000 0.267 287 P C 0.416 177.936 177.300 0.367 0.000 1.209 287 P CA 0.248 63.498 63.100 0.250 0.000 0.763 287 P CB 0.410 32.259 31.700 0.248 0.000 0.816 288 M N -0.058 119.701 119.600 0.265 0.000 2.338 288 M HA 0.072 4.553 4.480 0.001 0.000 0.276 288 M C 0.248 176.653 176.300 0.175 0.000 1.057 288 M CA 0.482 55.882 55.300 0.165 0.000 1.079 288 M CB -0.283 32.366 32.600 0.082 0.000 1.547 288 M HN 0.177 nan 8.290 nan 0.000 0.549 289 T N 2.483 117.185 114.554 0.246 0.000 2.934 289 T HA 0.292 4.643 4.350 0.001 0.000 0.306 289 T C 0.442 175.326 174.700 0.307 0.000 1.042 289 T CA -0.120 62.117 62.100 0.229 0.000 1.145 289 T CB 0.829 69.837 68.868 0.234 0.000 0.982 289 T HN 0.335 nan 8.240 nan 0.000 0.544 290 A N 3.903 126.842 122.820 0.198 0.000 2.477 290 A HA 0.440 4.761 4.320 0.001 0.000 0.246 290 A C 0.679 178.364 177.584 0.169 0.000 1.078 290 A CA -0.318 51.831 52.037 0.187 0.000 0.770 290 A CB 0.210 19.265 19.000 0.091 0.000 1.011 290 A HN 0.701 nan 8.150 nan 0.000 0.494 291 R N 2.722 123.318 120.500 0.159 0.000 2.655 291 R HA 0.245 4.585 4.340 0.001 0.000 0.261 291 R C -3.139 173.137 176.300 -0.041 0.000 1.624 291 R CA -1.349 54.769 56.100 0.030 0.000 1.655 291 R CB 1.186 31.482 30.300 -0.007 0.000 1.356 291 R HN 0.567 nan 8.270 nan 0.000 0.684 292 P HA 0.103 nan 4.420 nan 0.000 0.275 292 P C 0.206 177.398 177.300 -0.181 0.000 1.227 292 P CA -0.207 62.776 63.100 -0.195 0.000 0.781 292 P CB 0.349 31.949 31.700 -0.166 0.000 0.906 293 F N 0.526 120.397 119.950 -0.131 0.000 2.678 293 F HA 0.216 4.743 4.527 0.001 0.000 0.305 293 F C 1.144 176.885 175.800 -0.098 0.000 1.090 293 F CA -0.319 57.592 58.000 -0.149 0.000 1.272 293 F CB -0.799 38.082 39.000 -0.197 0.000 1.060 293 F HN 0.118 nan 8.300 nan 0.000 0.576 294 D N 0.181 120.340 120.400 -0.401 0.000 2.349 294 D HA 0.171 4.811 4.640 0.001 0.000 0.224 294 D C 1.918 178.163 176.300 -0.092 0.000 1.029 294 D CA 0.811 54.682 54.000 -0.214 0.000 0.879 294 D CB -0.041 40.567 40.800 -0.321 0.000 0.906 294 D HN 0.470 nan 8.370 nan 0.000 0.528 295 G N 1.500 110.253 108.800 -0.079 0.000 2.213 295 G HA2 -0.411 3.549 3.960 0.001 0.000 0.236 295 G HA3 -0.411 3.549 3.960 0.001 0.000 0.236 295 G C 1.276 176.146 174.900 -0.050 0.000 0.991 295 G CA 0.432 45.505 45.100 -0.045 0.000 0.629 295 G HN 0.560 nan 8.290 nan 0.000 0.517 296 R N 0.909 121.365 120.500 -0.073 0.000 2.154 296 R HA -0.137 4.203 4.340 0.001 0.000 0.248 296 R C 1.456 177.734 176.300 -0.038 0.000 1.155 296 R CA 2.337 58.402 56.100 -0.058 0.000 0.979 296 R CB -0.619 29.636 30.300 -0.075 0.000 0.869 296 R HN 0.460 nan 8.270 nan 0.000 0.452 297 D N -0.388 119.990 120.400 -0.036 0.000 2.388 297 D HA 0.101 4.742 4.640 0.001 0.000 0.221 297 D C -0.173 176.119 176.300 -0.013 0.000 1.133 297 D CA -0.298 53.690 54.000 -0.020 0.000 0.831 297 D CB 0.201 40.992 40.800 -0.015 0.000 0.962 297 D HN 0.016 nan 8.370 nan 0.000 0.502 298 R N 0.195 120.686 120.500 -0.015 0.000 2.711 298 R HA 0.488 4.828 4.340 0.001 0.000 0.284 298 R C -0.571 175.725 176.300 -0.006 0.000 0.968 298 R CA -1.097 54.998 56.100 -0.009 0.000 0.924 298 R CB 1.974 32.267 30.300 -0.011 0.000 1.162 298 R HN -0.095 nan 8.270 nan 0.000 0.465 299 V N 2.032 121.945 119.914 -0.002 0.000 2.521 299 V HA 0.168 4.288 4.120 0.001 0.000 0.286 299 V C 0.663 176.756 176.094 -0.001 0.000 1.034 299 V CA -0.478 61.822 62.300 -0.000 0.000 1.045 299 V CB 0.989 32.814 31.823 0.003 0.000 0.974 299 V HN 0.808 nan 8.190 nan 0.000 0.480 300 A N 8.369 131.189 122.820 -0.001 0.000 2.350 300 A HA 0.620 4.940 4.320 0.001 0.000 0.293 300 A C -1.259 176.326 177.584 0.002 0.000 1.231 300 A CA -1.011 51.026 52.037 0.000 0.000 0.883 300 A CB -0.394 18.606 19.000 -0.000 0.000 1.133 300 A HN 0.773 nan 8.150 nan 0.000 0.533 301 P HA 0.480 nan 4.420 nan 0.000 0.277 301 P C -0.129 177.174 177.300 0.004 0.000 1.271 301 P CA -0.400 62.702 63.100 0.003 0.000 0.795 301 P CB 0.797 32.499 31.700 0.003 0.000 1.101 302 A N 0.508 123.330 122.820 0.004 0.000 2.440 302 A HA 0.480 4.801 4.320 0.001 0.000 0.251 302 A C -0.077 177.509 177.584 0.004 0.000 1.089 302 A CA -0.324 51.716 52.037 0.004 0.000 0.779 302 A CB -0.255 18.747 19.000 0.004 0.000 1.022 302 A HN 0.329 nan 8.150 nan 0.000 0.492 303 V N 2.046 121.963 119.914 0.004 0.000 2.531 303 V HA 0.354 4.475 4.120 0.001 0.000 0.301 303 V C -0.170 175.926 176.094 0.004 0.000 1.034 303 V CA -1.272 61.029 62.300 0.003 0.000 0.865 303 V CB 1.260 33.085 31.823 0.004 0.000 0.995 303 V HN 0.862 nan 8.190 nan 0.000 0.424 304 K N 5.338 125.739 120.400 0.002 0.000 2.485 304 K HA 0.289 4.609 4.320 0.001 0.000 0.277 304 K C -2.011 174.591 176.600 0.004 0.000 0.990 304 K CA -0.772 55.516 56.287 0.001 0.000 0.994 304 K CB 0.165 32.664 32.500 -0.002 0.000 0.906 304 K HN 0.616 nan 8.250 nan 0.000 0.488 305 P HA 0.054 nan 4.420 nan 0.000 0.271 305 P C -0.940 176.365 177.300 0.009 0.000 1.218 305 P CA -0.155 62.952 63.100 0.011 0.000 0.780 305 P CB 0.726 32.436 31.700 0.017 0.000 0.901 306 M N 2.194 121.800 119.600 0.010 0.000 2.263 306 M HA 0.281 4.761 4.480 0.001 0.000 0.295 306 M C -1.279 175.032 176.300 0.018 0.000 1.028 306 M CA -0.384 54.922 55.300 0.009 0.000 0.921 306 M CB 2.030 34.631 32.600 0.002 0.000 1.601 306 M HN 0.314 nan 8.290 nan 0.000 0.440 307 Q N 4.247 124.064 119.800 0.027 0.000 2.353 307 Q HA 0.596 4.937 4.340 0.001 0.000 0.268 307 Q C -1.299 174.725 176.000 0.040 0.000 1.045 307 Q CA -0.618 55.212 55.803 0.044 0.000 0.811 307 Q CB 3.193 31.974 28.738 0.072 0.000 1.305 307 Q HN 0.724 nan 8.270 nan 0.000 0.447 308 I N 4.557 125.153 120.570 0.043 0.000 2.304 308 I HA 0.358 4.528 4.170 0.001 0.000 0.291 308 I C -0.174 175.984 176.117 0.069 0.000 1.018 308 I CA -0.491 60.836 61.300 0.045 0.000 1.260 308 I CB 0.436 38.461 38.000 0.042 0.000 1.390 308 I HN 0.488 nan 8.210 nan 0.000 0.475 309 I N 2.804 123.403 120.570 0.049 0.000 2.646 309 I HA 0.589 4.760 4.170 0.001 0.000 0.299 309 I C -0.848 175.240 176.117 -0.049 0.000 1.036 309 I CA -0.599 60.724 61.300 0.038 0.000 1.074 309 I CB 2.133 40.171 38.000 0.063 0.000 1.258 309 I HN 0.509 nan 8.210 nan 0.000 0.430 310 E N 5.758 125.912 120.200 -0.078 0.000 2.675 310 E HA 0.272 4.622 4.350 0.001 0.000 0.236 310 E C -2.217 174.237 176.600 -0.244 0.000 1.059 310 E CA -1.527 54.806 56.400 -0.112 0.000 0.775 310 E CB 1.445 31.134 29.700 -0.018 0.000 1.356 310 E HN 0.537 nan 8.360 nan 0.000 0.403 311 P HA -0.070 nan 4.420 nan 0.000 0.233 311 P C 0.244 177.389 177.300 -0.257 0.000 1.167 311 P CA 0.757 63.380 63.100 -0.794 0.000 0.770 311 P CB 0.356 31.530 31.700 -0.877 0.000 0.837 312 E N -0.178 119.932 120.200 -0.150 0.000 2.496 312 E HA 0.381 4.731 4.350 0.001 0.000 0.200 312 E C 0.772 177.347 176.600 -0.043 0.000 1.016 312 E CA -0.145 56.216 56.400 -0.065 0.000 0.962 312 E CB 0.142 29.808 29.700 -0.057 0.000 1.071 312 E HN 0.126 nan 8.360 nan 0.000 0.457 313 G N 1.691 110.468 108.800 -0.039 0.000 2.660 313 G HA2 -0.202 3.759 3.960 0.001 0.000 0.215 313 G HA3 -0.202 3.759 3.960 0.001 0.000 0.215 313 G C -0.675 174.167 174.900 -0.097 0.000 1.345 313 G CA -0.878 44.197 45.100 -0.042 0.000 0.877 313 G HN -0.008 nan 8.290 nan 0.000 0.549 314 K N 0.397 120.679 120.400 -0.196 0.000 2.106 314 K HA 0.449 4.769 4.320 0.001 0.000 0.246 314 K C 0.985 177.428 176.600 -0.262 0.000 0.987 314 K CA -0.991 55.068 56.287 -0.381 0.000 0.904 314 K CB 0.807 32.713 32.500 -0.991 0.000 1.071 314 K HN 0.452 nan 8.250 nan 0.000 0.453 315 N N 0.547 119.160 118.700 -0.145 0.000 2.422 315 N HA -0.015 4.725 4.740 0.001 0.000 0.181 315 N C -0.020 175.610 175.510 0.200 0.000 1.080 315 N CA 0.427 53.517 53.050 0.067 0.000 0.893 315 N CB 0.047 38.673 38.487 0.232 0.000 0.973 315 N HN 0.481 nan 8.380 nan 0.000 0.456 316 Y N -0.697 119.759 120.300 0.261 0.000 2.403 316 Y HA 0.666 5.216 4.550 0.001 0.000 0.323 316 Y C 0.217 176.140 175.900 0.038 0.000 1.226 316 Y CA -0.998 57.217 58.100 0.191 0.000 1.235 316 Y CB 0.440 38.932 38.460 0.053 0.000 1.248 316 Y HN -0.348 nan 8.280 nan 0.000 0.489 317 T N 3.257 117.923 114.554 0.187 0.000 2.861 317 T HA 0.531 4.881 4.350 0.001 0.000 0.287 317 T C -0.653 174.035 174.700 -0.020 0.000 1.003 317 T CA -0.611 61.516 62.100 0.045 0.000 0.977 317 T CB 0.830 69.741 68.868 0.072 0.000 0.996 317 T HN 0.560 nan 8.240 nan 0.000 0.448 318 I N 3.239 123.709 120.570 -0.166 0.000 2.330 318 I HA 0.270 4.441 4.170 0.001 0.000 0.286 318 I C 0.031 176.115 176.117 -0.054 0.000 1.025 318 I CA -0.598 60.588 61.300 -0.189 0.000 1.197 318 I CB 1.206 38.958 38.000 -0.412 0.000 1.358 318 I HN 0.535 nan 8.210 nan 0.000 0.467 319 T N 5.372 119.918 114.554 -0.013 0.000 2.832 319 T HA 0.481 4.831 4.350 0.001 0.000 0.313 319 T C 0.877 175.612 174.700 0.059 0.000 1.035 319 T CA 0.167 62.295 62.100 0.047 0.000 0.950 319 T CB 1.219 70.113 68.868 0.043 0.000 0.984 319 T HN 1.034 nan 8.240 nan 0.000 0.486 320 G N 4.318 113.176 108.800 0.097 0.000 2.602 320 G HA2 -0.301 3.660 3.960 0.001 0.000 0.310 320 G HA3 -0.301 3.660 3.960 0.001 0.000 0.310 320 G C 0.437 175.348 174.900 0.018 0.000 1.183 320 G CA 0.431 45.576 45.100 0.074 0.000 0.979 320 G HN 0.609 nan 8.290 nan 0.000 0.545 321 D N 1.331 121.689 120.400 -0.070 0.000 2.369 321 D HA 0.217 4.858 4.640 0.001 0.000 0.211 321 D C 1.334 177.422 176.300 -0.353 0.000 1.077 321 D CA 0.199 54.039 54.000 -0.267 0.000 0.842 321 D CB 0.096 40.584 40.800 -0.519 0.000 0.947 321 D HN 0.410 nan 8.370 nan 0.000 0.509 322 M N 1.124 120.619 119.600 -0.176 0.000 2.211 322 M HA 0.296 4.777 4.480 0.001 0.000 0.356 322 M C 0.075 176.223 176.300 -0.253 0.000 1.216 322 M CA 0.214 55.407 55.300 -0.177 0.000 1.134 322 M CB 1.724 34.329 32.600 0.009 0.000 1.564 322 M HN -0.283 nan 8.290 nan 0.000 0.463 323 I N 1.891 122.174 120.570 -0.479 0.000 2.465 323 I HA 0.322 4.492 4.170 0.001 0.000 0.291 323 I C -0.801 175.089 176.117 -0.378 0.000 1.014 323 I CA -0.748 60.221 61.300 -0.552 0.000 1.093 323 I CB 1.767 39.118 38.000 -1.081 0.000 1.267 323 I HN 0.682 nan 8.210 nan 0.000 0.431 324 H N 5.451 124.413 119.070 -0.180 0.000 2.529 324 H HA 0.491 5.047 4.556 0.001 0.000 0.348 324 H C -2.006 173.428 175.328 0.176 0.000 1.079 324 H CA -0.558 55.480 56.048 -0.018 0.000 1.198 324 H CB 1.542 31.302 29.762 -0.003 0.000 1.521 324 H HN 0.609 nan 8.280 nan 0.000 0.514 325 W N 8.569 129.486 121.300 -0.638 0.000 3.097 325 W HA 0.364 5.024 4.660 0.001 0.000 0.325 325 W C -0.514 175.842 176.519 -0.271 0.000 1.056 325 W CA -0.496 56.649 57.345 -0.332 0.000 1.254 325 W CB 0.422 29.851 29.460 -0.051 0.000 1.202 325 W HN 1.019 nan 8.180 nan 0.000 0.400 326 R N 1.736 121.749 120.500 -0.812 0.000 3.943 326 R HA -0.351 3.989 4.340 0.001 0.000 0.368 326 R C 0.624 176.632 176.300 -0.486 0.000 0.242 326 R CA 2.002 57.689 56.100 -0.688 0.000 1.197 326 R CB -1.212 28.504 30.300 -0.974 0.000 0.990 326 R HN 0.531 nan 8.270 nan 0.000 0.565 327 N N 0.145 118.515 118.700 -0.550 0.000 2.336 327 N HA 0.073 4.813 4.740 0.001 0.000 0.189 327 N C -0.201 174.954 175.510 -0.590 0.000 1.113 327 N CA 0.464 53.118 53.050 -0.661 0.000 0.858 327 N CB 0.147 37.912 38.487 -1.202 0.000 0.970 327 N HN 0.200 nan 8.380 nan 0.000 0.471 328 W N 1.412 122.591 121.300 -0.202 0.000 2.376 328 W HA 0.335 4.996 4.660 0.001 0.000 0.322 328 W C -0.050 176.511 176.519 0.070 0.000 1.160 328 W CA -0.558 56.816 57.345 0.050 0.000 1.218 328 W CB 1.105 30.717 29.460 0.253 0.000 1.205 328 W HN -0.236 nan 8.180 nan 0.000 0.559 329 D N 3.015 123.707 120.400 0.488 0.000 2.879 329 D HA 0.452 5.092 4.640 0.001 0.000 0.236 329 D C -0.972 175.557 176.300 0.380 0.000 1.171 329 D CA -0.321 53.864 54.000 0.308 0.000 0.868 329 D CB 2.321 43.295 40.800 0.290 0.000 1.598 329 D HN 0.245 nan 8.370 nan 0.000 0.497 330 F N -1.065 118.926 119.950 0.068 0.000 2.741 330 F HA 0.430 4.957 4.527 0.001 0.000 0.313 330 F C -1.554 174.213 175.800 -0.054 0.000 1.153 330 F CA -0.982 57.020 58.000 0.004 0.000 0.931 330 F CB 1.802 40.739 39.000 -0.105 0.000 1.335 330 F HN 0.200 nan 8.300 nan 0.000 0.460 331 H N 2.013 121.084 119.070 0.002 0.000 2.529 331 H HA 0.694 5.251 4.556 0.001 0.000 0.348 331 H C -2.146 173.110 175.328 -0.121 0.000 1.079 331 H CA -0.766 55.143 56.048 -0.230 0.000 1.198 331 H CB 2.159 31.605 29.762 -0.526 0.000 1.521 331 H HN 0.858 nan 8.280 nan 0.000 0.514 332 L N 4.926 125.819 121.223 -0.550 0.000 2.349 332 L HA 0.440 4.780 4.340 0.001 0.000 0.278 332 L C -0.994 175.612 176.870 -0.440 0.000 0.996 332 L CA -0.105 54.546 54.840 -0.315 0.000 0.825 332 L CB 1.421 43.394 42.059 -0.142 0.000 1.243 332 L HN 0.752 nan 8.230 nan 0.000 0.412 333 S N 3.983 119.503 115.700 -0.301 0.000 2.794 333 S HA 0.872 5.343 4.470 0.001 0.000 0.299 333 S C -0.940 173.524 174.600 -0.227 0.000 1.179 333 S CA -0.901 57.159 58.200 -0.234 0.000 0.838 333 S CB 1.474 64.601 63.200 -0.122 0.000 1.206 333 S HN 0.701 nan 8.310 nan 0.000 0.523 334 M N 2.551 122.043 119.600 -0.180 0.000 2.263 334 M HA 0.490 4.971 4.480 0.001 0.000 0.295 334 M C -1.503 174.710 176.300 -0.146 0.000 1.028 334 M CA -0.396 54.784 55.300 -0.201 0.000 0.921 334 M CB 1.786 34.294 32.600 -0.154 0.000 1.601 334 M HN 0.853 nan 8.290 nan 0.000 0.440 335 N N 1.613 120.211 118.700 -0.169 0.000 2.405 335 N HA 0.309 5.049 4.740 0.001 0.000 0.299 335 N C 0.329 175.802 175.510 -0.061 0.000 1.075 335 N CA 0.281 53.274 53.050 -0.095 0.000 0.884 335 N CB 1.757 40.191 38.487 -0.088 0.000 1.194 335 N HN 0.883 nan 8.380 nan 0.000 0.491 336 S N 3.239 118.938 115.700 -0.002 0.000 2.423 336 S HA -0.130 4.341 4.470 0.001 0.000 0.231 336 S C 1.736 176.377 174.600 0.068 0.000 1.014 336 S CA 0.685 58.912 58.200 0.045 0.000 0.965 336 S CB -0.020 63.219 63.200 0.064 0.000 0.785 336 S HN 0.733 nan 8.310 nan 0.000 0.495 337 R N 0.943 121.470 120.500 0.045 0.000 2.064 337 R HA 0.085 4.425 4.340 0.001 0.000 0.221 337 R C 2.041 178.384 176.300 0.072 0.000 1.136 337 R CA 1.521 57.652 56.100 0.053 0.000 0.980 337 R CB -0.120 30.177 30.300 -0.005 0.000 0.876 337 R HN 0.478 nan 8.270 nan 0.000 0.437 338 V N -1.929 117.997 119.914 0.020 0.000 3.578 338 V HA 0.448 4.569 4.120 0.001 0.000 0.290 338 V C 0.764 176.671 176.094 -0.311 0.000 1.376 338 V CA 0.363 62.639 62.300 -0.039 0.000 1.083 338 V CB -0.072 31.751 31.823 -0.001 0.000 0.911 338 V HN 0.631 nan 8.190 nan 0.000 0.433 339 G N 1.463 110.014 108.800 -0.416 0.000 2.512 339 G HA2 -0.204 3.757 3.960 0.001 0.000 0.254 339 G HA3 -0.204 3.757 3.960 0.001 0.000 0.254 339 G C -2.506 171.914 174.900 -0.799 0.000 1.199 339 G CA -0.119 44.388 45.100 -0.988 0.000 0.941 339 G HN 0.628 nan 8.290 nan 0.000 0.569 340 P HA 0.375 nan 4.420 nan 0.000 0.268 340 P C -0.291 176.691 177.300 -0.529 0.000 1.205 340 P CA 0.633 63.363 63.100 -0.618 0.000 0.771 340 P CB 0.438 31.816 31.700 -0.537 0.000 0.858 341 M N 3.149 122.475 119.600 -0.456 0.000 2.263 341 M HA 0.409 4.889 4.480 0.001 0.000 0.295 341 M C -0.669 175.367 176.300 -0.439 0.000 1.028 341 M CA -0.765 54.268 55.300 -0.445 0.000 0.921 341 M CB 2.182 34.595 32.600 -0.312 0.000 1.601 341 M HN 0.090 nan 8.290 nan 0.000 0.440 342 I N 2.488 122.725 120.570 -0.555 0.000 2.355 342 I HA 0.502 4.673 4.170 0.001 0.000 0.288 342 I C -0.188 175.738 176.117 -0.319 0.000 0.999 342 I CA -0.167 60.871 61.300 -0.436 0.000 1.163 342 I CB 1.141 38.743 38.000 -0.663 0.000 1.316 342 I HN 0.632 nan 8.210 nan 0.000 0.454 343 S N 2.799 118.389 115.700 -0.183 0.000 2.634 343 S HA 0.528 4.999 4.470 0.001 0.000 0.296 343 S C 0.016 174.491 174.600 -0.209 0.000 1.104 343 S CA -0.619 57.389 58.200 -0.319 0.000 0.920 343 S CB 1.853 64.800 63.200 -0.422 0.000 1.111 343 S HN 0.804 nan 8.310 nan 0.000 0.493 344 T N -1.548 112.731 114.554 -0.459 0.000 3.549 344 T HA -0.155 4.195 4.350 0.001 0.000 0.398 344 T C -0.140 174.679 174.700 0.198 0.000 0.766 344 T CA 0.082 61.921 62.100 -0.434 0.000 2.007 344 T CB -2.514 66.205 68.868 -0.249 0.000 1.727 344 T HN 0.477 nan 8.240 nan 0.000 0.693 345 V N 2.522 122.649 119.914 0.354 0.000 2.461 345 V HA 0.686 4.807 4.120 0.001 0.000 0.275 345 V C 1.114 177.597 176.094 0.649 0.000 1.047 345 V CA 0.148 62.747 62.300 0.497 0.000 0.955 345 V CB 1.250 33.300 31.823 0.378 0.000 0.988 345 V HN 1.014 nan 8.190 nan 0.000 0.471 346 T N 2.013 116.944 114.554 0.629 0.000 2.916 346 T HA 0.639 4.989 4.350 0.001 0.000 0.292 346 T C -1.187 173.801 174.700 0.480 0.000 1.055 346 T CA -0.737 61.676 62.100 0.522 0.000 1.009 346 T CB 1.828 70.939 68.868 0.404 0.000 1.118 346 T HN 0.410 nan 8.240 nan 0.000 0.497 347 Y N 2.205 122.638 120.300 0.222 0.000 2.328 347 Y HA 0.482 5.033 4.550 0.001 0.000 0.336 347 Y C -0.057 175.903 175.900 0.100 0.000 0.960 347 Y CA -1.205 56.907 58.100 0.019 0.000 1.134 347 Y CB 1.348 39.759 38.460 -0.081 0.000 1.166 347 Y HN 0.797 nan 8.280 nan 0.000 0.464 348 N N 5.091 123.677 118.700 -0.189 0.000 2.402 348 N HA -0.005 4.736 4.740 0.001 0.000 0.259 348 N C -1.318 174.257 175.510 0.108 0.000 1.167 348 N CA 0.249 53.285 53.050 -0.022 0.000 0.949 348 N CB 0.156 38.589 38.487 -0.091 0.000 1.212 348 N HN 0.653 nan 8.380 nan 0.000 0.493 349 D N 3.166 123.725 120.400 0.265 0.000 2.396 349 D HA 0.156 4.797 4.640 0.001 0.000 0.225 349 D C -0.207 176.181 176.300 0.147 0.000 1.121 349 D CA -0.156 54.028 54.000 0.307 0.000 0.853 349 D CB -0.027 40.979 40.800 0.344 0.000 1.043 349 D HN 0.391 nan 8.370 nan 0.000 0.500 350 N N 3.464 122.225 118.700 0.102 0.000 2.702 350 N HA -0.250 4.491 4.740 0.001 0.000 0.255 350 N C 1.048 176.580 175.510 0.037 0.000 0.983 350 N CA 1.425 54.506 53.050 0.052 0.000 0.768 350 N CB -0.865 37.651 38.487 0.048 0.000 0.918 350 N HN 0.829 nan 8.380 nan 0.000 0.540 351 G N -2.277 106.544 108.800 0.034 0.000 2.376 351 G HA2 -0.268 3.693 3.960 0.001 0.000 0.208 351 G HA3 -0.268 3.693 3.960 0.001 0.000 0.208 351 G C 0.054 174.972 174.900 0.030 0.000 1.032 351 G CA 0.242 45.356 45.100 0.023 0.000 0.641 351 G HN 0.816 nan 8.290 nan 0.000 0.503 352 T N 0.507 115.087 114.554 0.044 0.000 2.767 352 T HA 0.659 5.010 4.350 0.001 0.000 0.284 352 T C -0.178 174.567 174.700 0.075 0.000 0.973 352 T CA -0.529 61.596 62.100 0.042 0.000 0.996 352 T CB 2.222 71.103 68.868 0.021 0.000 0.927 352 T HN 0.381 nan 8.240 nan 0.000 0.456 353 K N 3.282 123.726 120.400 0.074 0.000 2.383 353 K HA 0.222 4.542 4.320 0.001 0.000 0.286 353 K C 0.252 176.917 176.600 0.108 0.000 1.051 353 K CA -0.185 56.171 56.287 0.115 0.000 0.974 353 K CB 0.660 33.235 32.500 0.125 0.000 0.968 353 K HN 0.506 nan 8.250 nan 0.000 0.475 354 R N 2.774 123.383 120.500 0.182 0.000 2.407 354 R HA 0.216 4.557 4.340 0.001 0.000 0.303 354 R C -0.285 176.141 176.300 0.211 0.000 0.981 354 R CA -0.821 55.378 56.100 0.165 0.000 0.905 354 R CB 1.362 31.782 30.300 0.200 0.000 1.099 354 R HN 0.339 nan 8.270 nan 0.000 0.459 355 K N 1.193 121.618 120.400 0.041 0.000 2.382 355 K HA 0.058 4.379 4.320 0.001 0.000 0.275 355 K C 0.305 177.008 176.600 0.171 0.000 1.009 355 K CA -0.088 56.173 56.287 -0.044 0.000 0.970 355 K CB 1.003 33.258 32.500 -0.408 0.000 0.934 355 K HN 0.346 nan 8.250 nan 0.000 0.479 356 V N 2.064 122.121 119.914 0.239 0.000 3.103 356 V HA 0.145 4.265 4.120 0.001 0.000 0.229 356 V C -0.067 176.091 176.094 0.107 0.000 1.304 356 V CA -0.014 62.331 62.300 0.075 0.000 1.298 356 V CB 0.416 32.268 31.823 0.050 0.000 1.093 356 V HN 0.760 nan 8.190 nan 0.000 0.489 357 M N -0.995 118.780 119.600 0.291 0.000 2.224 357 M HA 0.379 4.859 4.480 0.001 0.000 0.281 357 M C -0.102 176.396 176.300 0.330 0.000 1.025 357 M CA -0.621 54.810 55.300 0.218 0.000 0.954 357 M CB 2.154 34.792 32.600 0.064 0.000 1.639 357 M HN 0.256 nan 8.290 nan 0.000 0.461 358 Y N 3.418 123.842 120.300 0.206 0.000 2.263 358 Y HA 0.208 4.758 4.550 0.001 0.000 0.292 358 Y C 0.044 175.830 175.900 -0.189 0.000 1.130 358 Y CA 1.841 59.913 58.100 -0.046 0.000 1.179 358 Y CB 0.525 38.959 38.460 -0.044 0.000 0.998 358 Y HN 0.722 nan 8.280 nan 0.000 0.532 359 E N -0.361 119.662 120.200 -0.294 0.000 2.506 359 E HA 0.426 4.776 4.350 0.001 0.000 0.308 359 E C -1.415 175.037 176.600 -0.246 0.000 0.931 359 E CA -0.236 55.918 56.400 -0.411 0.000 0.800 359 E CB 0.785 30.167 29.700 -0.530 0.000 1.292 359 E HN 0.284 nan 8.360 nan 0.000 0.401 360 G N 1.639 110.263 108.800 -0.293 0.000 2.524 360 G HA2 0.711 4.671 3.960 0.001 0.000 0.310 360 G HA3 0.711 4.671 3.960 0.001 0.000 0.310 360 G C -0.896 173.788 174.900 -0.361 0.000 1.279 360 G CA -0.043 44.929 45.100 -0.214 0.000 0.974 360 G HN 0.668 nan 8.290 nan 0.000 0.484 361 S N 0.568 116.235 115.700 -0.056 0.000 2.636 361 S HA 0.552 5.023 4.470 0.001 0.000 0.266 361 S C -1.131 173.677 174.600 0.348 0.000 1.147 361 S CA -0.781 57.412 58.200 -0.012 0.000 0.815 361 S CB 0.933 64.016 63.200 -0.194 0.000 1.119 361 S HN 1.507 nan 8.310 nan 0.000 0.470 362 L N 2.031 123.413 121.223 0.265 0.000 2.485 362 L HA 0.608 4.948 4.340 0.001 0.000 0.275 362 L C 1.274 178.120 176.870 -0.040 0.000 1.207 362 L CA 1.365 56.220 54.840 0.026 0.000 0.855 362 L CB 0.311 42.256 42.059 -0.190 0.000 1.114 362 L HN 1.005 nan 8.230 nan 0.000 0.485 363 G N 2.718 111.466 108.800 -0.088 0.000 2.447 363 G HA2 0.478 4.439 3.960 0.001 0.000 0.211 363 G HA3 0.478 4.439 3.960 0.001 0.000 0.211 363 G C 0.427 175.337 174.900 0.016 0.000 1.184 363 G CA 0.484 45.580 45.100 -0.006 0.000 0.813 363 G HN 1.185 nan 8.290 nan 0.000 0.540 364 G N -1.070 107.670 108.800 -0.100 0.000 2.338 364 G HA2 0.534 4.495 3.960 0.001 0.000 0.295 364 G HA3 0.534 4.495 3.960 0.001 0.000 0.295 364 G C -1.010 173.833 174.900 -0.094 0.000 1.461 364 G CA -0.245 44.798 45.100 -0.096 0.000 0.817 364 G HN 0.813 nan 8.290 nan 0.000 0.556 365 M N -0.753 118.854 119.600 0.011 0.000 2.683 365 M HA 0.937 5.418 4.480 0.001 0.000 0.274 365 M C -1.866 174.523 176.300 0.149 0.000 1.272 365 M CA -1.132 54.220 55.300 0.087 0.000 0.833 365 M CB 2.674 35.276 32.600 0.003 0.000 1.708 365 M HN 0.954 nan 8.290 nan 0.000 0.463 366 I N 1.236 121.868 120.570 0.103 0.000 2.775 366 I HA 0.625 4.795 4.170 0.001 0.000 0.295 366 I C -1.929 174.192 176.117 0.006 0.000 1.287 366 I CA -0.664 60.700 61.300 0.107 0.000 1.029 366 I CB 2.549 40.638 38.000 0.147 0.000 1.282 366 I HN 0.619 nan 8.210 nan 0.000 0.426 367 V N 8.607 128.563 119.914 0.071 0.000 2.320 367 V HA 0.461 4.582 4.120 0.001 0.000 0.268 367 V C -2.449 173.685 176.094 0.067 0.000 1.021 367 V CA -1.049 61.243 62.300 -0.012 0.000 0.813 367 V CB 1.029 32.844 31.823 -0.014 0.000 1.054 367 V HN 0.546 nan 8.190 nan 0.000 0.444 368 P HA 0.474 nan 4.420 nan 0.000 0.300 368 P C -1.329 176.066 177.300 0.159 0.000 1.326 368 P CA -0.467 62.786 63.100 0.255 0.000 0.844 368 P CB 1.615 33.564 31.700 0.414 0.000 0.992 369 Y N 0.751 121.210 120.300 0.265 0.000 2.480 369 Y HA 0.551 5.102 4.550 0.001 0.000 0.323 369 Y C 1.910 177.878 175.900 0.112 0.000 1.267 369 Y CA 0.260 58.483 58.100 0.205 0.000 1.336 369 Y CB 1.006 39.624 38.460 0.263 0.000 1.361 369 Y HN 0.478 nan 8.280 nan 0.000 0.518 370 G N -0.470 108.434 108.800 0.173 0.000 3.596 370 G HA2 0.031 3.991 3.960 0.001 0.000 0.274 370 G HA3 0.031 3.991 3.960 0.001 0.000 0.274 370 G C -0.783 174.046 174.900 -0.118 0.000 1.007 370 G CA -0.066 45.015 45.100 -0.031 0.000 0.825 370 G HN 0.476 nan 8.290 nan 0.000 0.508 371 D N 0.848 121.173 120.400 -0.125 0.000 2.168 371 D HA 0.338 4.979 4.640 0.001 0.000 0.246 371 D C -1.734 174.400 176.300 -0.275 0.000 1.050 371 D CA -1.923 51.777 54.000 -0.499 0.000 0.857 371 D CB 3.164 43.715 40.800 -0.416 0.000 1.169 371 D HN -0.024 nan 8.370 nan 0.000 0.453 372 P HA 0.140 nan 4.420 nan 0.000 0.252 372 P C -0.197 177.137 177.300 0.056 0.000 1.218 372 P CA -0.110 62.919 63.100 -0.119 0.000 0.807 372 P CB 0.566 32.149 31.700 -0.194 0.000 1.072 373 D N 0.277 120.713 120.400 0.059 0.000 2.362 373 D HA -0.015 4.626 4.640 0.001 0.000 0.238 373 D C 1.914 178.450 176.300 0.394 0.000 1.212 373 D CA -0.112 54.001 54.000 0.189 0.000 0.902 373 D CB 0.563 41.467 40.800 0.173 0.000 1.180 373 D HN 0.043 nan 8.370 nan 0.000 0.445 374 I N -1.847 118.931 120.570 0.347 0.000 2.335 374 I HA -0.114 4.057 4.170 0.001 0.000 0.251 374 I C 1.560 177.904 176.117 0.379 0.000 1.129 374 I CA 1.579 63.130 61.300 0.419 0.000 1.402 374 I CB -0.564 37.575 38.000 0.232 0.000 1.069 374 I HN 0.280 nan 8.210 nan 0.000 0.424 375 G N -0.609 108.349 108.800 0.262 0.000 2.920 375 G HA2 0.025 3.986 3.960 0.001 0.000 0.208 375 G HA3 0.025 3.986 3.960 0.001 0.000 0.208 375 G C 0.657 175.129 174.900 -0.714 0.000 1.159 375 G CA -0.079 44.964 45.100 -0.096 0.000 0.784 375 G HN 0.635 nan 8.290 nan 0.000 0.535 376 W N -1.543 119.654 121.300 -0.171 0.000 3.336 376 W HA 0.189 4.850 4.660 0.001 0.000 0.221 376 W C 2.035 178.344 176.519 -0.351 0.000 1.086 376 W CA -0.234 56.896 57.345 -0.358 0.000 1.457 376 W CB -0.339 29.015 29.460 -0.178 0.000 0.756 376 W HN 0.207 nan 8.180 nan 0.000 0.783 377 Y N 0.528 120.888 120.300 0.101 0.000 2.315 377 Y HA -0.223 4.327 4.550 0.001 0.000 0.288 377 Y C 1.735 177.771 175.900 0.228 0.000 1.154 377 Y CA 1.520 59.702 58.100 0.137 0.000 1.229 377 Y CB -1.702 36.801 38.460 0.070 0.000 0.980 377 Y HN 0.057 nan 8.280 nan 0.000 0.540 378 F N -0.547 119.219 119.950 -0.308 0.000 2.714 378 F HA 0.406 4.934 4.527 0.001 0.000 0.294 378 F C 0.743 176.570 175.800 0.046 0.000 1.120 378 F CA -1.295 56.697 58.000 -0.013 0.000 1.398 378 F CB -0.594 38.251 39.000 -0.259 0.000 1.120 378 F HN -0.331 nan 8.300 nan 0.000 0.589 379 K N 2.663 122.508 120.400 -0.925 0.000 2.320 379 K HA 0.272 4.593 4.320 0.001 0.000 0.269 379 K C -0.379 176.252 176.600 0.051 0.000 1.182 379 K CA 0.737 56.707 56.287 -0.528 0.000 1.190 379 K CB -0.361 31.821 32.500 -0.530 0.000 0.850 379 K HN 0.434 nan 8.250 nan 0.000 0.467 380 A N 5.285 128.147 122.820 0.071 0.000 2.599 380 A HA 0.290 4.610 4.320 0.001 0.000 0.281 380 A C -1.347 176.341 177.584 0.174 0.000 1.137 380 A CA -0.764 51.398 52.037 0.208 0.000 0.767 380 A CB 0.378 19.481 19.000 0.171 0.000 1.266 380 A HN 0.524 nan 8.150 nan 0.000 0.420 381 Y N 1.772 122.180 120.300 0.179 0.000 2.496 381 Y HA 0.295 4.845 4.550 0.001 0.000 0.334 381 Y C 0.306 176.301 175.900 0.158 0.000 1.080 381 Y CA 0.111 58.319 58.100 0.180 0.000 1.355 381 Y CB 0.662 39.189 38.460 0.112 0.000 1.193 381 Y HN 0.509 nan 8.280 nan 0.000 0.523 382 L N 5.068 126.487 121.223 0.326 0.000 2.397 382 L HA 0.166 4.506 4.340 0.001 0.000 0.263 382 L C 0.997 178.049 176.870 0.304 0.000 1.136 382 L CA 0.054 55.042 54.840 0.246 0.000 1.019 382 L CB -0.046 42.108 42.059 0.159 0.000 1.352 382 L HN 0.672 nan 8.230 nan 0.000 0.420 383 D N 0.261 120.822 120.400 0.269 0.000 2.106 383 D HA -0.211 4.429 4.640 0.001 0.000 0.191 383 D C 1.910 178.385 176.300 0.290 0.000 0.997 383 D CA 1.992 56.165 54.000 0.288 0.000 0.834 383 D CB 0.191 41.082 40.800 0.153 0.000 0.956 383 D HN 0.606 nan 8.370 nan 0.000 0.448 384 S N 0.646 116.460 115.700 0.190 0.000 2.345 384 S HA -0.068 4.403 4.470 0.001 0.000 0.220 384 S C 2.330 176.990 174.600 0.100 0.000 1.031 384 S CA 1.337 59.633 58.200 0.161 0.000 0.996 384 S CB -1.058 62.212 63.200 0.117 0.000 0.882 384 S HN 0.290 nan 8.310 nan 0.000 0.445 385 G N 1.634 110.457 108.800 0.038 0.000 2.404 385 G HA2 -0.137 3.823 3.960 0.001 0.000 0.215 385 G HA3 -0.137 3.823 3.960 0.001 0.000 0.215 385 G C 1.108 175.996 174.900 -0.021 0.000 1.174 385 G CA 1.064 46.118 45.100 -0.076 0.000 0.780 385 G HN 0.498 nan 8.290 nan 0.000 0.537 386 D N -1.109 119.344 120.400 0.088 0.000 2.271 386 D HA 0.071 4.711 4.640 0.001 0.000 0.206 386 D C 1.432 177.685 176.300 -0.079 0.000 0.967 386 D CA 0.601 54.606 54.000 0.008 0.000 0.867 386 D CB 0.079 40.905 40.800 0.043 0.000 0.960 386 D HN 0.444 nan 8.370 nan 0.000 0.509 387 Y N -0.465 119.919 120.300 0.140 0.000 2.426 387 Y HA 0.365 4.915 4.550 0.001 0.000 0.249 387 Y C 0.982 176.977 175.900 0.158 0.000 1.103 387 Y CA 0.090 58.304 58.100 0.189 0.000 1.256 387 Y CB 0.979 39.605 38.460 0.277 0.000 1.208 387 Y HN -0.109 nan 8.280 nan 0.000 0.519 388 G N 1.268 110.220 108.800 0.254 0.000 2.905 388 G HA2 -0.252 3.708 3.960 0.001 0.000 0.245 388 G HA3 -0.252 3.708 3.960 0.001 0.000 0.245 388 G C 0.385 175.431 174.900 0.243 0.000 1.004 388 G CA 0.165 45.379 45.100 0.191 0.000 1.089 388 G HN 0.285 nan 8.290 nan 0.000 0.456 389 M N 1.402 121.164 119.600 0.270 0.000 2.236 389 M HA 0.073 4.553 4.480 0.001 0.000 0.266 389 M C 2.758 179.369 176.300 0.519 0.000 1.070 389 M CA 2.014 57.545 55.300 0.384 0.000 1.137 389 M CB -0.127 32.752 32.600 0.466 0.000 1.378 389 M HN 0.701 nan 8.290 nan 0.000 0.426 390 G N -0.076 108.946 108.800 0.371 0.000 2.491 390 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 390 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 390 G C 1.405 176.469 174.900 0.273 0.000 1.180 390 G CA 1.736 47.006 45.100 0.282 0.000 0.774 390 G HN 0.361 nan 8.290 nan 0.000 0.562 391 T N 0.941 115.620 114.554 0.208 0.000 2.803 391 T HA -0.023 4.328 4.350 0.001 0.000 0.269 391 T C 2.002 176.808 174.700 0.177 0.000 1.052 391 T CA 0.789 62.994 62.100 0.175 0.000 1.136 391 T CB -0.124 68.842 68.868 0.164 0.000 0.864 391 T HN 0.140 nan 8.240 nan 0.000 0.467 392 L N 1.193 122.539 121.223 0.206 0.000 2.653 392 L HA 0.163 4.504 4.340 0.001 0.000 0.231 392 L C 0.571 177.528 176.870 0.145 0.000 1.153 392 L CA -0.297 54.635 54.840 0.152 0.000 0.933 392 L CB -0.380 41.766 42.059 0.145 0.000 1.175 392 L HN 0.071 nan 8.230 nan 0.000 0.473 393 T N 0.426 115.124 114.554 0.239 0.000 2.903 393 T HA -0.077 4.273 4.350 0.001 0.000 0.299 393 T C 0.640 175.393 174.700 0.089 0.000 1.041 393 T CA 0.528 62.766 62.100 0.230 0.000 1.138 393 T CB 0.352 69.484 68.868 0.440 0.000 1.040 393 T HN 0.138 nan 8.240 nan 0.000 0.524 394 S N 5.500 121.198 115.700 -0.005 0.000 2.438 394 S HA 0.367 4.837 4.470 0.001 0.000 0.293 394 S C -2.140 172.473 174.600 0.020 0.000 1.141 394 S CA -1.208 56.987 58.200 -0.010 0.000 1.080 394 S CB 0.993 64.153 63.200 -0.066 0.000 0.978 394 S HN 0.455 nan 8.310 nan 0.000 0.479 395 P HA 0.107 nan 4.420 nan 0.000 0.268 395 P C -0.237 177.081 177.300 0.030 0.000 1.205 395 P CA -0.296 62.831 63.100 0.044 0.000 0.771 395 P CB 0.290 32.009 31.700 0.032 0.000 0.858 396 I N 1.772 122.370 120.570 0.047 0.000 2.648 396 I HA 0.040 4.211 4.170 0.001 0.000 0.284 396 I C 0.926 177.053 176.117 0.016 0.000 1.153 396 I CA -0.058 61.264 61.300 0.037 0.000 1.426 396 I CB -0.035 38.005 38.000 0.066 0.000 1.381 396 I HN 0.361 nan 8.210 nan 0.000 0.571 397 A N 7.835 130.656 122.820 0.002 0.000 2.343 397 A HA 0.253 4.573 4.320 0.001 0.000 0.305 397 A C 0.668 178.247 177.584 -0.009 0.000 1.308 397 A CA -0.539 51.494 52.037 -0.006 0.000 0.949 397 A CB 0.005 18.999 19.000 -0.011 0.000 1.148 397 A HN 0.775 nan 8.150 nan 0.000 0.545 398 R N 2.025 122.520 120.500 -0.008 0.000 2.538 398 R HA 0.276 4.617 4.340 0.001 0.000 0.282 398 R C 1.415 177.707 176.300 -0.014 0.000 1.009 398 R CA 1.692 57.786 56.100 -0.009 0.000 1.063 398 R CB 0.056 30.350 30.300 -0.009 0.000 0.945 398 R HN 1.521 nan 8.270 nan 0.000 0.414 399 G N 3.293 112.077 108.800 -0.026 0.000 2.253 399 G HA2 -0.339 3.621 3.960 0.001 0.000 0.251 399 G HA3 -0.339 3.621 3.960 0.001 0.000 0.251 399 G C 0.671 175.545 174.900 -0.043 0.000 0.998 399 G CA 0.681 45.763 45.100 -0.031 0.000 0.621 399 G HN 0.640 nan 8.290 nan 0.000 0.524 400 K N -0.855 119.521 120.400 -0.039 0.000 2.353 400 K HA 0.199 4.520 4.320 0.001 0.000 0.206 400 K C 1.470 178.046 176.600 -0.040 0.000 1.191 400 K CA 0.340 56.605 56.287 -0.035 0.000 0.897 400 K CB 0.064 32.551 32.500 -0.022 0.000 1.283 400 K HN 0.057 nan 8.250 nan 0.000 0.477 401 D N 1.055 121.435 120.400 -0.033 0.000 2.178 401 D HA 0.003 4.643 4.640 0.001 0.000 0.202 401 D C 0.213 176.492 176.300 -0.034 0.000 0.974 401 D CA 0.810 54.797 54.000 -0.021 0.000 0.841 401 D CB 0.274 41.069 40.800 -0.009 0.000 0.953 401 D HN 0.227 nan 8.370 nan 0.000 0.478 402 A N -0.005 122.758 122.820 -0.095 0.000 2.527 402 A HA 0.597 4.918 4.320 0.001 0.000 0.293 402 A C -2.641 174.749 177.584 -0.322 0.000 1.117 402 A CA -1.334 50.539 52.037 -0.273 0.000 0.723 402 A CB 1.440 20.298 19.000 -0.238 0.000 1.313 402 A HN -0.203 nan 8.150 nan 0.000 0.411 403 P HA 0.076 nan 4.420 nan 0.000 0.270 403 P C 0.903 178.098 177.300 -0.176 0.000 1.223 403 P CA 0.400 63.306 63.100 -0.324 0.000 0.785 403 P CB 0.665 32.135 31.700 -0.384 0.000 0.923 404 S N 0.214 115.871 115.700 -0.072 0.000 2.500 404 S HA -0.141 4.329 4.470 0.001 0.000 0.239 404 S C 1.069 175.695 174.600 0.044 0.000 0.989 404 S CA 0.686 58.883 58.200 -0.004 0.000 0.951 404 S CB -1.096 62.117 63.200 0.022 0.000 0.759 404 S HN 0.631 nan 8.310 nan 0.000 0.523 405 N N 1.589 120.316 118.700 0.045 0.000 2.279 405 N HA 0.334 5.074 4.740 0.001 0.000 0.226 405 N C 0.101 175.716 175.510 0.174 0.000 1.126 405 N CA 0.111 53.232 53.050 0.118 0.000 0.846 405 N CB 0.009 38.574 38.487 0.129 0.000 1.050 405 N HN 0.446 nan 8.380 nan 0.000 0.502 406 A N 0.223 123.117 122.820 0.124 0.000 2.304 406 A HA 0.557 4.878 4.320 0.001 0.000 0.271 406 A C -0.212 177.512 177.584 0.233 0.000 1.091 406 A CA -0.433 51.732 52.037 0.213 0.000 0.812 406 A CB 0.885 19.948 19.000 0.105 0.000 1.056 406 A HN 0.078 nan 8.150 nan 0.000 0.489 407 V N 1.797 121.879 119.914 0.281 0.000 2.495 407 V HA 0.390 4.510 4.120 0.001 0.000 0.298 407 V C -0.476 175.757 176.094 0.232 0.000 1.031 407 V CA -0.261 62.204 62.300 0.275 0.000 0.871 407 V CB 1.289 33.325 31.823 0.355 0.000 0.988 407 V HN 0.680 nan 8.190 nan 0.000 0.432 408 L N 6.140 127.483 121.223 0.200 0.000 2.305 408 L HA 0.603 4.943 4.340 0.001 0.000 0.284 408 L C -0.580 176.380 176.870 0.149 0.000 1.013 408 L CA -0.467 54.465 54.840 0.154 0.000 0.819 408 L CB 1.408 43.525 42.059 0.097 0.000 1.227 408 L HN 0.379 nan 8.230 nan 0.000 0.417 409 L N 2.961 124.272 121.223 0.147 0.000 2.325 409 L HA 0.460 4.801 4.340 0.001 0.000 0.279 409 L C 0.046 176.955 176.870 0.066 0.000 1.054 409 L CA -0.722 54.189 54.840 0.119 0.000 0.804 409 L CB 0.871 43.005 42.059 0.125 0.000 1.200 409 L HN 0.594 nan 8.230 nan 0.000 0.436 410 N N 1.883 120.597 118.700 0.024 0.000 2.493 410 N HA 0.414 5.154 4.740 0.001 0.000 0.275 410 N C -0.600 174.917 175.510 0.013 0.000 1.186 410 N CA -0.464 52.594 53.050 0.014 0.000 0.978 410 N CB 1.587 40.064 38.487 -0.016 0.000 1.184 410 N HN 0.530 nan 8.380 nan 0.000 0.487 411 E N 0.092 120.302 120.200 0.017 0.000 2.390 411 E HA 0.353 4.704 4.350 0.001 0.000 0.277 411 E C -1.042 175.561 176.600 0.006 0.000 0.939 411 E CA -0.558 55.843 56.400 0.002 0.000 0.769 411 E CB 2.136 31.834 29.700 -0.003 0.000 1.251 411 E HN 0.323 nan 8.360 nan 0.000 0.450 412 T N 2.521 117.071 114.554 -0.008 0.000 2.815 412 T HA 0.597 4.947 4.350 0.001 0.000 0.289 412 T C 0.214 174.910 174.700 -0.007 0.000 1.000 412 T CA -0.523 61.574 62.100 -0.005 0.000 0.958 412 T CB 0.191 69.051 68.868 -0.013 0.000 0.944 412 T HN 0.408 nan 8.240 nan 0.000 0.442 413 I N 0.024 120.598 120.570 0.006 0.000 3.206 413 I HA 0.989 5.159 4.170 0.001 0.000 0.313 413 I C -0.375 175.744 176.117 0.004 0.000 1.103 413 I CA -1.781 59.523 61.300 0.006 0.000 0.985 413 I CB 1.728 39.742 38.000 0.024 0.000 1.240 413 I HN 0.558 nan 8.210 nan 0.000 0.464 414 A N 2.056 124.876 122.820 -0.001 0.000 2.327 414 A HA 0.478 4.799 4.320 0.001 0.000 0.283 414 A C -0.449 177.154 177.584 0.032 0.000 1.127 414 A CA -0.333 51.692 52.037 -0.019 0.000 0.810 414 A CB 0.248 19.212 19.000 -0.060 0.000 1.066 414 A HN 0.877 nan 8.150 nan 0.000 0.492 415 D N 0.270 120.685 120.400 0.026 0.000 2.469 415 D HA 0.126 4.766 4.640 0.001 0.000 0.278 415 D C 0.703 177.082 176.300 0.131 0.000 1.231 415 D CA 0.253 54.310 54.000 0.095 0.000 1.075 415 D CB -0.171 40.673 40.800 0.073 0.000 1.121 415 D HN 0.601 nan 8.370 nan 0.000 0.571 416 Y N -2.701 117.685 120.300 0.144 0.000 2.519 416 Y HA 0.137 4.687 4.550 0.001 0.000 0.287 416 Y C 1.696 177.786 175.900 0.317 0.000 1.128 416 Y CA 0.907 59.130 58.100 0.204 0.000 1.282 416 Y CB -0.848 37.697 38.460 0.142 0.000 1.027 416 Y HN 0.339 nan 8.280 nan 0.000 0.551 417 T N -3.420 110.888 114.554 -0.411 0.000 3.145 417 T HA 0.459 4.810 4.350 0.001 0.000 0.255 417 T C 1.502 176.263 174.700 0.102 0.000 1.039 417 T CA 0.147 62.169 62.100 -0.130 0.000 0.928 417 T CB -0.364 68.275 68.868 -0.382 0.000 1.029 417 T HN 0.835 nan 8.240 nan 0.000 0.554 418 G N 0.734 109.533 108.800 -0.002 0.000 2.136 418 G HA2 -0.217 3.744 3.960 0.001 0.000 0.242 418 G HA3 -0.217 3.744 3.960 0.001 0.000 0.242 418 G C -0.029 174.734 174.900 -0.229 0.000 0.989 418 G CA -0.016 44.877 45.100 -0.346 0.000 0.682 418 G HN 0.703 nan 8.290 nan 0.000 0.522 419 V N 1.216 121.052 119.914 -0.131 0.000 2.567 419 V HA 0.481 4.602 4.120 0.001 0.000 0.289 419 V C -1.504 174.548 176.094 -0.070 0.000 1.049 419 V CA -1.659 60.584 62.300 -0.095 0.000 0.969 419 V CB 1.699 33.480 31.823 -0.071 0.000 0.995 419 V HN 0.075 nan 8.190 nan 0.000 0.471 420 P HA 0.247 nan 4.420 nan 0.000 0.269 420 P C -0.639 176.651 177.300 -0.017 0.000 1.209 420 P CA -0.037 63.040 63.100 -0.038 0.000 0.776 420 P CB 0.374 32.053 31.700 -0.037 0.000 0.876 421 M N -0.250 119.349 119.600 -0.001 0.000 2.259 421 M HA 0.494 4.975 4.480 0.001 0.000 0.304 421 M C -0.619 175.690 176.300 0.016 0.000 1.019 421 M CA -0.592 54.717 55.300 0.015 0.000 0.922 421 M CB 2.702 35.323 32.600 0.036 0.000 1.600 421 M HN 0.100 nan 8.290 nan 0.000 0.433 422 E N 3.994 124.202 120.200 0.013 0.000 2.167 422 E HA 0.430 4.780 4.350 0.001 0.000 0.284 422 E C -1.385 175.229 176.600 0.024 0.000 1.016 422 E CA -0.543 55.864 56.400 0.011 0.000 0.817 422 E CB 1.147 30.847 29.700 0.000 0.000 1.080 422 E HN 0.800 nan 8.360 nan 0.000 0.397 423 I N 7.887 128.478 120.570 0.034 0.000 2.304 423 I HA 0.214 4.384 4.170 0.001 0.000 0.291 423 I C -1.995 174.148 176.117 0.043 0.000 1.018 423 I CA -2.048 59.283 61.300 0.052 0.000 1.260 423 I CB 1.104 39.155 38.000 0.086 0.000 1.390 423 I HN 0.297 nan 8.210 nan 0.000 0.475 424 P HA 0.151 nan 4.420 nan 0.000 0.279 424 P C -0.470 176.851 177.300 0.035 0.000 1.239 424 P CA -0.323 62.786 63.100 0.016 0.000 0.789 424 P CB 0.701 32.401 31.700 -0.001 0.000 0.933 425 R N 0.837 121.356 120.500 0.032 0.000 3.516 425 R HA -0.222 4.119 4.340 0.001 0.000 0.271 425 R C 1.081 177.441 176.300 0.100 0.000 1.098 425 R CA 0.531 56.664 56.100 0.055 0.000 0.732 425 R CB -2.476 27.845 30.300 0.034 0.000 1.152 425 R HN 0.622 nan 8.270 nan 0.000 0.455 426 A N 0.235 123.127 122.820 0.120 0.000 1.968 426 A HA 0.135 4.456 4.320 0.001 0.000 0.217 426 A C 1.027 178.781 177.584 0.283 0.000 1.169 426 A CA 0.863 53.015 52.037 0.191 0.000 0.638 426 A CB 0.348 19.444 19.000 0.160 0.000 0.812 426 A HN 0.333 nan 8.150 nan 0.000 0.446 427 I N -1.182 119.516 120.570 0.213 0.000 2.619 427 I HA 0.546 4.716 4.170 0.001 0.000 0.292 427 I C -0.338 175.899 176.117 0.200 0.000 1.100 427 I CA -0.780 60.665 61.300 0.241 0.000 1.043 427 I CB 2.203 40.295 38.000 0.153 0.000 1.239 427 I HN 0.114 nan 8.210 nan 0.000 0.420 428 A N 5.606 128.570 122.820 0.240 0.000 2.317 428 A HA 0.833 5.154 4.320 0.001 0.000 0.327 428 A C -0.827 176.898 177.584 0.236 0.000 1.178 428 A CA -0.510 51.678 52.037 0.253 0.000 0.817 428 A CB 1.372 20.552 19.000 0.300 0.000 1.189 428 A HN 0.429 nan 8.150 nan 0.000 0.489 429 V N 2.867 122.882 119.914 0.168 0.000 2.487 429 V HA 0.729 4.850 4.120 0.001 0.000 0.298 429 V C -0.954 175.160 176.094 0.033 0.000 1.028 429 V CA -0.282 61.970 62.300 -0.079 0.000 0.860 429 V CB 0.636 32.274 31.823 -0.309 0.000 0.991 429 V HN 0.890 nan 8.190 nan 0.000 0.427 430 F N 1.077 120.900 119.950 -0.212 0.000 2.650 430 F HA 0.700 5.228 4.527 0.001 0.000 0.310 430 F C -0.735 174.983 175.800 -0.136 0.000 1.112 430 F CA -1.081 56.868 58.000 -0.086 0.000 0.986 430 F CB 1.483 40.488 39.000 0.008 0.000 1.285 430 F HN 0.483 nan 8.300 nan 0.000 0.440 431 E N 2.854 123.144 120.200 0.150 0.000 2.277 431 E HA 0.621 4.971 4.350 0.001 0.000 0.274 431 E C -0.910 175.813 176.600 0.204 0.000 1.022 431 E CA -0.831 55.600 56.400 0.052 0.000 0.853 431 E CB 1.233 31.062 29.700 0.216 0.000 1.086 431 E HN 0.860 nan 8.360 nan 0.000 0.397 432 R N 2.767 123.346 120.500 0.132 0.000 2.740 432 R HA 0.245 4.585 4.340 0.001 0.000 0.273 432 R C -1.505 174.882 176.300 0.145 0.000 0.998 432 R CA -0.980 55.231 56.100 0.186 0.000 0.900 432 R CB 0.608 31.035 30.300 0.211 0.000 1.223 432 R HN 0.553 nan 8.270 nan 0.000 0.466 433 Y N 1.379 121.713 120.300 0.055 0.000 2.335 433 Y HA 0.488 5.039 4.550 0.001 0.000 0.331 433 Y C -0.431 175.469 175.900 0.000 0.000 1.094 433 Y CA 0.028 58.147 58.100 0.032 0.000 1.253 433 Y CB 1.426 39.901 38.460 0.025 0.000 1.203 433 Y HN 0.834 nan 8.280 nan 0.000 0.508 434 A N 5.270 127.671 122.820 -0.698 0.000 2.705 434 A HA 0.631 4.951 4.320 0.001 0.000 0.294 434 A C 0.676 177.870 177.584 -0.651 0.000 1.039 434 A CA 0.124 51.858 52.037 -0.506 0.000 1.005 434 A CB -0.868 17.949 19.000 -0.306 0.000 1.192 434 A HN 1.782 nan 8.150 nan 0.000 0.513 435 G N 0.585 108.608 108.800 -1.295 0.000 2.681 435 G HA2 -0.095 3.865 3.960 0.001 0.000 0.220 435 G HA3 -0.095 3.865 3.960 0.001 0.000 0.220 435 G C -3.182 171.471 174.900 -0.411 0.000 1.353 435 G CA -0.391 44.345 45.100 -0.606 0.000 0.872 435 G HN 0.442 nan 8.290 nan 0.000 0.557 436 P HA 0.342 nan 4.420 nan 0.000 0.287 436 P C 0.449 177.673 177.300 -0.127 0.000 1.281 436 P CA -0.084 62.959 63.100 -0.094 0.000 0.781 436 P CB 1.801 33.492 31.700 -0.015 0.000 0.903 437 E N 4.434 124.516 120.200 -0.198 0.000 2.051 437 E HA -0.160 4.190 4.350 0.001 0.000 0.192 437 E C 0.027 176.545 176.600 -0.137 0.000 0.991 437 E CA 1.917 58.191 56.400 -0.209 0.000 0.799 437 E CB -0.372 29.127 29.700 -0.335 0.000 0.748 437 E HN 0.573 nan 8.360 nan 0.000 0.449 438 Y N -2.910 117.391 120.300 0.002 0.000 2.689 438 Y HA 0.657 5.207 4.550 0.001 0.000 0.333 438 Y C -1.135 174.779 175.900 0.023 0.000 1.208 438 Y CA -1.831 56.274 58.100 0.007 0.000 1.055 438 Y CB 0.721 39.180 38.460 -0.000 0.000 1.304 438 Y HN -0.126 nan 8.280 nan 0.000 0.455 439 K N 1.180 121.794 120.400 0.357 0.000 2.557 439 K HA 0.488 4.809 4.320 0.001 0.000 0.257 439 K C -2.610 174.138 176.600 0.246 0.000 0.933 439 K CA -0.682 55.761 56.287 0.260 0.000 0.820 439 K CB 2.151 34.731 32.500 0.135 0.000 1.330 439 K HN 1.050 nan 8.250 nan 0.000 0.432 440 H N 1.904 121.027 119.070 0.089 0.000 2.856 440 H HA 0.287 4.843 4.556 0.001 0.000 0.355 440 H C -1.693 173.655 175.328 0.032 0.000 1.079 440 H CA -0.326 55.744 56.048 0.037 0.000 1.240 440 H CB 1.998 31.761 29.762 0.001 0.000 1.701 440 H HN 0.535 nan 8.280 nan 0.000 0.527 441 Q N 3.620 123.080 119.800 -0.568 0.000 2.560 441 Q HA 0.243 4.584 4.340 0.001 0.000 0.238 441 Q C -0.954 174.687 176.000 -0.599 0.000 1.079 441 Q CA -0.779 54.778 55.803 -0.410 0.000 0.866 441 Q CB 0.610 29.233 28.738 -0.192 0.000 1.153 441 Q HN 0.622 nan 8.270 nan 0.000 0.530 442 E N 2.715 122.589 120.200 -0.543 0.000 2.373 442 E HA 0.151 4.502 4.350 0.001 0.000 0.267 442 E C -0.668 175.858 176.600 -0.124 0.000 1.032 442 E CA -0.316 55.925 56.400 -0.265 0.000 0.889 442 E CB 0.542 30.227 29.700 -0.025 0.000 0.984 442 E HN 0.730 nan 8.360 nan 0.000 0.425 443 M N 4.699 124.264 119.600 -0.057 0.000 2.303 443 M HA 0.232 4.713 4.480 0.001 0.000 0.350 443 M C 0.963 177.250 176.300 -0.022 0.000 1.518 443 M CA 1.684 56.964 55.300 -0.034 0.000 1.070 443 M CB -0.152 32.442 32.600 -0.010 0.000 1.910 443 M HN 0.680 nan 8.290 nan 0.000 0.458 444 G N 2.335 111.120 108.800 -0.024 0.000 2.176 444 G HA2 -0.175 3.786 3.960 0.001 0.000 0.253 444 G HA3 -0.175 3.786 3.960 0.001 0.000 0.253 444 G C -0.035 174.855 174.900 -0.017 0.000 0.979 444 G CA 0.069 45.160 45.100 -0.016 0.000 0.641 444 G HN 0.681 nan 8.290 nan 0.000 0.530 445 Q N 0.203 119.987 119.800 -0.027 0.000 2.297 445 Q HA 0.556 4.897 4.340 0.001 0.000 0.269 445 Q C -2.408 173.576 176.000 -0.027 0.000 1.051 445 Q CA -1.738 54.052 55.803 -0.022 0.000 0.869 445 Q CB 1.505 30.232 28.738 -0.019 0.000 1.346 445 Q HN 0.188 nan 8.270 nan 0.000 0.457 446 P HA 0.021 nan 4.420 nan 0.000 0.269 446 P C -0.309 176.979 177.300 -0.021 0.000 1.215 446 P CA -0.132 62.960 63.100 -0.014 0.000 0.780 446 P CB 0.446 32.144 31.700 -0.004 0.000 0.898 447 N N 0.710 119.399 118.700 -0.019 0.000 2.444 447 N HA 0.240 4.981 4.740 0.001 0.000 0.255 447 N C -1.254 174.264 175.510 0.013 0.000 1.255 447 N CA -0.166 52.872 53.050 -0.020 0.000 0.933 447 N CB 0.406 38.885 38.487 -0.014 0.000 1.143 447 N HN 0.028 nan 8.380 nan 0.000 0.453 448 V N 1.519 121.455 119.914 0.036 0.000 2.483 448 V HA 0.531 4.651 4.120 0.001 0.000 0.297 448 V C -0.723 175.450 176.094 0.131 0.000 1.027 448 V CA -0.622 61.735 62.300 0.094 0.000 0.855 448 V CB 1.180 33.078 31.823 0.125 0.000 0.995 448 V HN 0.737 nan 8.190 nan 0.000 0.424 449 S N 2.476 118.239 115.700 0.104 0.000 2.546 449 S HA 0.817 5.288 4.470 0.001 0.000 0.272 449 S C -0.314 174.273 174.600 -0.022 0.000 1.140 449 S CA -0.690 57.546 58.200 0.060 0.000 0.920 449 S CB 2.331 65.553 63.200 0.036 0.000 1.083 449 S HN 0.969 nan 8.310 nan 0.000 0.476 450 T N -0.299 114.143 114.554 -0.186 0.000 2.906 450 T HA 0.625 4.976 4.350 0.001 0.000 0.295 450 T C -0.738 173.851 174.700 -0.184 0.000 1.061 450 T CA -1.008 60.954 62.100 -0.231 0.000 1.000 450 T CB 1.278 69.885 68.868 -0.435 0.000 1.103 450 T HN 0.480 nan 8.240 nan 0.000 0.486 451 E N 0.838 120.992 120.200 -0.076 0.000 2.390 451 E HA 0.277 4.627 4.350 0.001 0.000 0.261 451 E C -0.004 176.532 176.600 -0.107 0.000 1.076 451 E CA -0.588 55.805 56.400 -0.012 0.000 0.905 451 E CB 1.023 30.794 29.700 0.118 0.000 0.984 451 E HN 0.474 nan 8.360 nan 0.000 0.427 452 R N 1.975 122.367 120.500 -0.180 0.000 2.407 452 R HA 0.269 4.610 4.340 0.001 0.000 0.303 452 R C -0.717 175.522 176.300 -0.100 0.000 0.981 452 R CA -0.605 55.408 56.100 -0.146 0.000 0.905 452 R CB 0.724 30.914 30.300 -0.183 0.000 1.099 452 R HN 0.348 nan 8.270 nan 0.000 0.459 453 R N 2.979 123.509 120.500 0.050 0.000 2.621 453 R HA 0.324 4.664 4.340 0.001 0.000 0.292 453 R C -1.051 175.391 176.300 0.236 0.000 0.969 453 R CA -0.713 55.493 56.100 0.176 0.000 0.887 453 R CB 2.129 32.638 30.300 0.349 0.000 1.180 453 R HN 0.758 nan 8.270 nan 0.000 0.450 454 E N 1.917 122.144 120.200 0.045 0.000 2.248 454 E HA 0.309 4.660 4.350 0.001 0.000 0.267 454 E C -0.888 175.494 176.600 -0.364 0.000 0.877 454 E CA -1.087 55.234 56.400 -0.131 0.000 0.759 454 E CB 2.641 32.138 29.700 -0.339 0.000 1.182 454 E HN 0.102 nan 8.360 nan 0.000 0.418 455 L N 3.372 124.163 121.223 -0.720 0.000 2.265 455 L HA 0.280 4.621 4.340 0.001 0.000 0.288 455 L C -1.194 175.344 176.870 -0.555 0.000 1.058 455 L CA -0.444 53.831 54.840 -0.941 0.000 0.809 455 L CB 1.105 42.252 42.059 -1.521 0.000 1.179 455 L HN 0.312 nan 8.230 nan 0.000 0.429 456 V N 5.980 125.443 119.914 -0.751 0.000 2.435 456 V HA 0.452 4.572 4.120 0.001 0.000 0.290 456 V C -0.278 175.460 176.094 -0.593 0.000 1.030 456 V CA -0.729 61.128 62.300 -0.738 0.000 0.881 456 V CB 1.750 32.826 31.823 -1.244 0.000 0.983 456 V HN 0.471 nan 8.190 nan 0.000 0.445 457 V N 5.870 125.680 119.914 -0.173 0.000 2.370 457 V HA 0.555 4.675 4.120 0.001 0.000 0.283 457 V C 0.080 176.284 176.094 0.182 0.000 1.023 457 V CA -0.596 61.703 62.300 -0.002 0.000 0.857 457 V CB 1.453 33.334 31.823 0.096 0.000 0.985 457 V HN 0.894 nan 8.190 nan 0.000 0.443 458 R N 3.716 124.370 120.500 0.257 0.000 2.599 458 R HA 0.579 4.919 4.340 0.001 0.000 0.295 458 R C -2.032 174.552 176.300 0.474 0.000 0.963 458 R CA -0.608 55.732 56.100 0.400 0.000 0.883 458 R CB 1.870 32.449 30.300 0.465 0.000 1.171 458 R HN 0.707 nan 8.270 nan 0.000 0.450 459 W N 6.490 127.973 121.300 0.306 0.000 3.129 459 W HA 0.551 5.211 4.660 0.001 0.000 0.333 459 W C -2.014 174.694 176.519 0.314 0.000 1.141 459 W CA -0.712 56.795 57.345 0.270 0.000 1.224 459 W CB 1.168 30.782 29.460 0.257 0.000 1.393 459 W HN 0.429 nan 8.180 nan 0.000 0.499 460 I N 5.458 125.771 120.570 -0.428 0.000 2.465 460 I HA 0.420 4.590 4.170 0.001 0.000 0.291 460 I C -0.317 175.347 176.117 -0.754 0.000 1.014 460 I CA -0.822 60.192 61.300 -0.476 0.000 1.093 460 I CB 2.077 39.959 38.000 -0.197 0.000 1.267 460 I HN 0.374 nan 8.210 nan 0.000 0.431 461 S N 3.630 118.932 115.700 -0.665 0.000 2.536 461 S HA 0.670 5.140 4.470 0.001 0.000 0.287 461 S C -0.856 173.659 174.600 -0.142 0.000 1.101 461 S CA -0.289 57.671 58.200 -0.401 0.000 0.950 461 S CB 1.852 64.775 63.200 -0.462 0.000 1.056 461 S HN 0.562 nan 8.310 nan 0.000 0.481 462 T N 3.310 117.820 114.554 -0.073 0.000 2.840 462 T HA 0.545 4.895 4.350 0.001 0.000 0.287 462 T C -1.250 173.434 174.700 -0.027 0.000 0.991 462 T CA -0.427 61.620 62.100 -0.089 0.000 0.964 462 T CB 1.299 70.100 68.868 -0.112 0.000 0.954 462 T HN 0.463 nan 8.240 nan 0.000 0.438 463 V N 3.690 123.571 119.914 -0.056 0.000 2.380 463 V HA 0.661 4.782 4.120 0.001 0.000 0.286 463 V C 1.074 177.093 176.094 -0.125 0.000 1.015 463 V CA 0.176 62.447 62.300 -0.050 0.000 0.834 463 V CB 0.480 32.263 31.823 -0.067 0.000 1.009 463 V HN 1.226 nan 8.190 nan 0.000 0.428 464 G N 5.807 114.651 108.800 0.075 0.000 2.620 464 G HA2 -0.311 3.650 3.960 0.001 0.000 0.315 464 G HA3 -0.311 3.650 3.960 0.001 0.000 0.315 464 G C 0.361 175.208 174.900 -0.089 0.000 1.179 464 G CA 0.644 45.896 45.100 0.253 0.000 0.971 464 G HN 0.933 nan 8.290 nan 0.000 0.544 468 Y N 1.154 121.297 120.300 -0.260 0.000 2.360 468 Y HA 0.677 5.227 4.550 0.001 0.000 0.337 468 Y C 0.226 175.861 175.900 -0.442 0.000 1.039 468 Y CA -0.863 57.029 58.100 -0.346 0.000 1.109 468 Y CB 1.320 39.705 38.460 -0.125 0.000 1.201 468 Y HN 0.234 nan 8.280 nan 0.000 0.458 469 I N 3.810 124.073 120.570 -0.512 0.000 2.433 469 I HA 0.406 4.577 4.170 0.001 0.000 0.292 469 I C -1.260 174.530 176.117 -0.546 0.000 1.001 469 I CA -0.630 60.443 61.300 -0.379 0.000 1.119 469 I CB 1.242 39.029 38.000 -0.355 0.000 1.289 469 I HN 0.357 nan 8.210 nan 0.000 0.438 470 F N 3.189 123.228 119.950 0.149 0.000 2.507 470 F HA 0.452 4.980 4.527 0.001 0.000 0.325 470 F C -0.410 175.558 175.800 0.280 0.000 1.116 470 F CA -0.779 57.370 58.000 0.248 0.000 0.930 470 F CB 1.538 40.823 39.000 0.476 0.000 1.146 470 F HN 0.309 nan 8.300 nan 0.000 0.447 471 D N 2.286 122.839 120.400 0.256 0.000 2.408 471 D HA 0.248 4.889 4.640 0.001 0.000 0.243 471 D C -1.375 174.810 176.300 -0.192 0.000 1.075 471 D CA -0.262 53.813 54.000 0.126 0.000 0.832 471 D CB 1.169 42.008 40.800 0.066 0.000 1.162 471 D HN 0.313 nan 8.370 nan 0.000 0.515 472 W N 2.641 123.875 121.300 -0.110 0.000 2.314 472 W HA 0.513 5.174 4.660 0.001 0.000 0.310 472 W C -0.006 176.248 176.519 -0.441 0.000 1.075 472 W CA -0.605 56.538 57.345 -0.336 0.000 1.253 472 W CB 0.652 29.916 29.460 -0.326 0.000 1.238 472 W HN 0.134 nan 8.180 nan 0.000 0.440 473 I N 4.226 124.539 120.570 -0.429 0.000 2.382 473 I HA 0.332 4.502 4.170 0.001 0.000 0.286 473 I C -0.926 174.927 176.117 -0.441 0.000 1.002 473 I CA -0.844 60.245 61.300 -0.351 0.000 1.135 473 I CB 0.746 38.607 38.000 -0.231 0.000 1.288 473 I HN 0.145 nan 8.210 nan 0.000 0.448 474 F N 4.683 124.464 119.950 -0.283 0.000 2.361 474 F HA 0.378 4.905 4.527 0.001 0.000 0.364 474 F C 0.416 176.353 175.800 0.227 0.000 1.117 474 F CA -0.726 57.120 58.000 -0.256 0.000 1.071 474 F CB 0.399 38.918 39.000 -0.802 0.000 1.188 474 F HN 0.420 nan 8.300 nan 0.000 0.464 475 H N 1.178 120.486 119.070 0.396 0.000 2.652 475 H HA 0.065 4.621 4.556 0.001 0.000 0.349 475 H C 1.203 177.016 175.328 0.808 0.000 1.099 475 H CA -0.225 56.108 56.048 0.475 0.000 1.417 475 H CB 0.813 30.741 29.762 0.277 0.000 1.457 475 H HN 0.673 nan 8.280 nan 0.000 0.568 476 E N 1.634 122.255 120.200 0.703 0.000 2.160 476 E HA -0.204 4.147 4.350 0.001 0.000 0.195 476 E C 0.651 177.460 176.600 0.350 0.000 0.991 476 E CA 1.259 57.934 56.400 0.459 0.000 0.810 476 E CB 0.134 29.933 29.700 0.165 0.000 0.742 476 E HN 0.730 nan 8.360 nan 0.000 0.466 477 N N -0.963 117.921 118.700 0.306 0.000 2.421 477 N HA 0.053 4.793 4.740 0.001 0.000 0.201 477 N C 0.917 176.466 175.510 0.066 0.000 1.198 477 N CA 0.860 53.970 53.050 0.100 0.000 0.838 477 N CB 0.633 39.160 38.487 0.066 0.000 1.011 477 N HN 0.210 nan 8.380 nan 0.000 0.463 478 G N -1.645 107.364 108.800 0.349 0.000 2.213 478 G HA2 -0.280 3.681 3.960 0.001 0.000 0.236 478 G HA3 -0.280 3.681 3.960 0.001 0.000 0.236 478 G C 0.211 175.489 174.900 0.629 0.000 0.991 478 G CA 0.253 45.575 45.100 0.369 0.000 0.629 478 G HN 0.460 nan 8.290 nan 0.000 0.517 479 T N 1.462 116.232 114.554 0.359 0.000 2.926 479 T HA 0.529 4.879 4.350 0.001 0.000 0.307 479 T C 0.486 175.246 174.700 0.100 0.000 1.059 479 T CA 0.562 62.700 62.100 0.064 0.000 1.122 479 T CB 1.098 69.689 68.868 -0.461 0.000 0.972 479 T HN 0.366 nan 8.240 nan 0.000 0.545 480 I N 1.733 122.279 120.570 -0.039 0.000 2.466 480 I HA 0.495 4.665 4.170 0.001 0.000 0.289 480 I C 0.640 176.595 176.117 -0.269 0.000 1.026 480 I CA -0.868 60.300 61.300 -0.220 0.000 1.078 480 I CB 1.940 39.762 38.000 -0.296 0.000 1.249 480 I HN 0.684 nan 8.210 nan 0.000 0.429 481 G N 6.523 115.168 108.800 -0.257 0.000 2.400 481 G HA2 0.837 4.798 3.960 0.001 0.000 0.333 481 G HA3 0.837 4.798 3.960 0.001 0.000 0.333 481 G C -0.929 173.708 174.900 -0.437 0.000 1.143 481 G CA -0.478 44.468 45.100 -0.256 0.000 0.914 481 G HN 0.497 nan 8.290 nan 0.000 0.480 482 I N 1.158 121.417 120.570 -0.517 0.000 2.499 482 I HA 0.333 4.504 4.170 0.001 0.000 0.288 482 I C -1.481 174.319 176.117 -0.528 0.000 1.048 482 I CA -0.765 60.053 61.300 -0.804 0.000 1.062 482 I CB 2.592 39.724 38.000 -1.446 0.000 1.238 482 I HN 0.216 nan 8.210 nan 0.000 0.426 483 D N 4.724 124.916 120.400 -0.346 0.000 2.619 483 D HA 0.741 5.381 4.640 0.001 0.000 0.241 483 D C -0.855 175.422 176.300 -0.039 0.000 1.087 483 D CA -0.294 53.658 54.000 -0.079 0.000 0.851 483 D CB 2.451 43.297 40.800 0.077 0.000 1.474 483 D HN 0.590 nan 8.370 nan 0.000 0.478 484 A N 0.957 123.667 122.820 -0.184 0.000 2.343 484 A HA 0.783 5.104 4.320 0.001 0.000 0.316 484 A C 0.107 177.277 177.584 -0.691 0.000 1.104 484 A CA -0.658 50.987 52.037 -0.654 0.000 0.768 484 A CB 1.406 19.645 19.000 -1.268 0.000 1.213 484 A HN 0.481 nan 8.150 nan 0.000 0.456 485 G N 0.374 108.487 108.800 -1.145 0.000 2.416 485 G HA2 0.705 4.665 3.960 0.001 0.000 0.329 485 G HA3 0.705 4.665 3.960 0.001 0.000 0.329 485 G C -0.432 173.903 174.900 -0.942 0.000 1.173 485 G CA 0.052 44.192 45.100 -1.601 0.000 0.929 485 G HN 1.512 nan 8.290 nan 0.000 0.475 486 A N 1.156 123.525 122.820 -0.753 0.000 2.330 486 A HA 0.885 5.206 4.320 0.001 0.000 0.313 486 A C -0.056 177.193 177.584 -0.558 0.000 1.124 486 A CA -0.395 51.308 52.037 -0.556 0.000 0.774 486 A CB 2.032 20.761 19.000 -0.452 0.000 1.198 486 A HN 1.068 nan 8.150 nan 0.000 0.465 487 T N 0.560 114.782 114.554 -0.553 0.000 2.618 487 T HA 0.841 5.191 4.350 0.001 0.000 0.293 487 T C 0.348 174.782 174.700 -0.444 0.000 1.093 487 T CA 0.995 62.838 62.100 -0.428 0.000 1.061 487 T CB 0.935 69.575 68.868 -0.380 0.000 1.498 487 T HN 2.697 nan 8.240 nan 0.000 0.494 488 G N 0.510 109.071 108.800 -0.399 0.000 2.418 488 G HA2 0.068 4.028 3.960 0.001 0.000 0.206 488 G HA3 0.068 4.028 3.960 0.001 0.000 0.206 488 G C -1.536 173.086 174.900 -0.464 0.000 1.202 488 G CA -0.212 44.603 45.100 -0.475 0.000 1.061 488 G HN 0.881 nan 8.290 nan 0.000 0.563 489 I N 1.158 121.393 120.570 -0.559 0.000 2.530 489 I HA 0.463 4.633 4.170 0.001 0.000 0.297 489 I C 0.416 176.334 176.117 -0.331 0.000 1.011 489 I CA -0.924 60.084 61.300 -0.487 0.000 1.107 489 I CB 1.372 38.936 38.000 -0.727 0.000 1.285 489 I HN 0.581 nan 8.210 nan 0.000 0.436 490 E N 3.003 123.212 120.200 0.016 0.000 2.354 490 E HA 0.365 4.716 4.350 0.001 0.000 0.269 490 E C -0.212 176.442 176.600 0.089 0.000 1.036 490 E CA -0.422 56.029 56.400 0.084 0.000 0.876 490 E CB 1.692 31.518 29.700 0.210 0.000 1.009 490 E HN 0.678 nan 8.360 nan 0.000 0.416 491 A N 3.249 126.111 122.820 0.070 0.000 2.444 491 A HA 0.253 4.574 4.320 0.001 0.000 0.287 491 A C 0.229 178.021 177.584 0.346 0.000 1.195 491 A CA -0.467 51.700 52.037 0.216 0.000 0.858 491 A CB -0.468 18.584 19.000 0.085 0.000 1.117 491 A HN 0.351 nan 8.150 nan 0.000 0.521 492 V N 0.747 120.882 119.914 0.368 0.000 2.732 492 V HA 0.650 4.771 4.120 0.001 0.000 0.310 492 V C -0.063 176.250 176.094 0.364 0.000 1.053 492 V CA -1.135 61.278 62.300 0.187 0.000 0.957 492 V CB 1.512 33.244 31.823 -0.152 0.000 1.018 492 V HN 0.814 nan 8.190 nan 0.000 0.452 493 K N 2.269 122.724 120.400 0.092 0.000 2.183 493 K HA 0.637 4.958 4.320 0.001 0.000 0.274 493 K C 0.270 176.906 176.600 0.061 0.000 1.009 493 K CA -0.207 56.153 56.287 0.121 0.000 0.888 493 K CB 1.314 33.623 32.500 -0.319 0.000 1.078 493 K HN 1.170 nan 8.250 nan 0.000 0.459 494 G N 2.456 111.331 108.800 0.126 0.000 2.380 494 G HA2 0.432 4.393 3.960 0.001 0.000 0.262 494 G HA3 0.432 4.393 3.960 0.001 0.000 0.262 494 G C -0.593 174.334 174.900 0.044 0.000 1.243 494 G CA -0.400 44.749 45.100 0.083 0.000 0.865 494 G HN 0.520 nan 8.290 nan 0.000 0.513 495 V N 0.039 119.968 119.914 0.024 0.000 3.159 495 V HA 0.575 4.696 4.120 0.001 0.000 0.308 495 V C 0.771 176.876 176.094 0.019 0.000 1.190 495 V CA -1.156 61.150 62.300 0.009 0.000 1.037 495 V CB 2.036 33.845 31.823 -0.022 0.000 1.060 495 V HN 0.652 nan 8.190 nan 0.000 0.437 496 K N 1.193 121.601 120.400 0.014 0.000 2.217 496 K HA 0.317 4.638 4.320 0.001 0.000 0.202 496 K C 1.040 177.650 176.600 0.016 0.000 1.051 496 K CA 1.233 57.530 56.287 0.017 0.000 0.952 496 K CB -0.022 32.485 32.500 0.011 0.000 0.736 496 K HN 0.962 nan 8.250 nan 0.000 0.453 497 A N 1.786 124.611 122.820 0.009 0.000 2.454 497 A HA 0.043 4.364 4.320 0.001 0.000 0.260 497 A C 0.507 178.114 177.584 0.039 0.000 1.106 497 A CA 0.006 52.050 52.037 0.012 0.000 0.780 497 A CB 0.350 19.347 19.000 -0.007 0.000 1.044 497 A HN 0.185 nan 8.150 nan 0.000 0.498 498 K N 0.788 121.217 120.400 0.048 0.000 2.166 498 K HA 0.041 4.362 4.320 0.001 0.000 0.201 498 K C 0.862 177.590 176.600 0.212 0.000 1.052 498 K CA 1.458 57.809 56.287 0.106 0.000 0.969 498 K CB 0.039 32.493 32.500 -0.077 0.000 0.761 498 K HN 0.868 nan 8.250 nan 0.000 0.459 499 T N -2.969 111.644 114.554 0.099 0.000 2.864 499 T HA 0.269 4.619 4.350 0.001 0.000 0.289 499 T C 0.676 175.345 174.700 -0.052 0.000 1.082 499 T CA -0.886 61.245 62.100 0.053 0.000 1.009 499 T CB 1.287 70.209 68.868 0.091 0.000 1.234 499 T HN -0.256 nan 8.240 nan 0.000 0.526 500 M N 0.505 119.994 119.600 -0.185 0.000 2.700 500 M HA 0.026 4.506 4.480 0.001 0.000 0.249 500 M C 1.222 177.369 176.300 -0.255 0.000 1.082 500 M CA 1.210 56.368 55.300 -0.236 0.000 1.077 500 M CB -1.639 30.790 32.600 -0.285 0.000 1.477 500 M HN 0.765 nan 8.290 nan 0.000 0.529 501 H N -0.853 118.221 119.070 0.006 0.000 2.525 501 H HA 0.065 4.622 4.556 0.001 0.000 0.275 501 H C 0.271 175.598 175.328 -0.003 0.000 0.984 501 H CA -0.313 55.735 56.048 0.001 0.000 1.264 501 H CB 0.293 30.058 29.762 0.006 0.000 1.432 501 H HN 0.239 nan 8.280 nan 0.000 0.549 502 D N 1.094 121.544 120.400 0.083 0.000 2.419 502 D HA -0.090 4.550 4.640 0.001 0.000 0.236 502 D C 1.252 177.566 176.300 0.024 0.000 1.165 502 D CA 0.314 54.341 54.000 0.045 0.000 0.882 502 D CB 0.843 41.659 40.800 0.026 0.000 1.201 502 D HN 0.307 nan 8.370 nan 0.000 0.443 503 E N -0.124 120.086 120.200 0.017 0.000 2.130 503 E HA -0.188 4.162 4.350 0.001 0.000 0.196 503 E C 1.450 178.047 176.600 -0.005 0.000 0.998 503 E CA 1.732 58.136 56.400 0.007 0.000 0.806 503 E CB 0.117 29.820 29.700 0.004 0.000 0.738 503 E HN 0.582 nan 8.360 nan 0.000 0.459 504 T N -3.089 111.459 114.554 -0.009 0.000 3.163 504 T HA 0.434 4.785 4.350 0.001 0.000 0.252 504 T C 1.540 176.220 174.700 -0.034 0.000 1.056 504 T CA 0.242 62.330 62.100 -0.019 0.000 0.947 504 T CB 0.604 69.464 68.868 -0.014 0.000 1.016 504 T HN 0.155 nan 8.240 nan 0.000 0.554 505 A N 2.526 125.324 122.820 -0.036 0.000 1.877 505 A HA -0.049 4.272 4.320 0.001 0.000 0.216 505 A C 2.394 179.932 177.584 -0.076 0.000 1.186 505 A CA 1.579 53.583 52.037 -0.055 0.000 0.620 505 A CB -0.654 18.310 19.000 -0.061 0.000 0.822 505 A HN 0.491 nan 8.150 nan 0.000 0.443 506 K N -0.603 119.754 120.400 -0.071 0.000 2.032 506 K HA -0.228 4.093 4.320 0.001 0.000 0.209 506 K C 1.390 177.921 176.600 -0.115 0.000 1.048 506 K CA 1.951 58.185 56.287 -0.089 0.000 0.927 506 K CB -0.282 32.177 32.500 -0.070 0.000 0.712 506 K HN 0.404 nan 8.250 nan 0.000 0.441 507 D N 0.799 121.143 120.400 -0.095 0.000 2.178 507 D HA -0.116 4.525 4.640 0.001 0.000 0.202 507 D C 1.473 177.702 176.300 -0.118 0.000 0.974 507 D CA 0.943 54.878 54.000 -0.108 0.000 0.841 507 D CB -0.255 40.508 40.800 -0.062 0.000 0.953 507 D HN 0.229 nan 8.370 nan 0.000 0.478 508 D N -0.396 119.949 120.400 -0.091 0.000 2.219 508 D HA -0.067 4.574 4.640 0.001 0.000 0.205 508 D C 1.562 177.788 176.300 -0.123 0.000 0.970 508 D CA 1.069 55.017 54.000 -0.086 0.000 0.851 508 D CB -0.097 40.664 40.800 -0.064 0.000 0.943 508 D HN 0.308 nan 8.370 nan 0.000 0.488 509 T N -2.415 112.049 114.554 -0.149 0.000 3.134 509 T HA 0.183 4.534 4.350 0.001 0.000 0.260 509 T C 1.474 176.040 174.700 -0.223 0.000 1.027 509 T CA -0.470 61.534 62.100 -0.161 0.000 0.913 509 T CB 0.562 69.351 68.868 -0.132 0.000 1.046 509 T HN -0.038 nan 8.240 nan 0.000 0.553 510 R N 0.440 120.733 120.500 -0.345 0.000 2.148 510 R HA -0.026 4.314 4.340 0.001 0.000 0.227 510 R C 0.420 176.320 176.300 -0.666 0.000 1.103 510 R CA 1.316 57.077 56.100 -0.566 0.000 0.983 510 R CB -0.156 29.660 30.300 -0.806 0.000 0.874 510 R HN 0.508 nan 8.270 nan 0.000 0.451 511 Y N -1.471 118.752 120.300 -0.130 0.000 2.641 511 Y HA 0.505 5.056 4.550 0.001 0.000 0.248 511 Y C 0.408 176.211 175.900 -0.161 0.000 1.170 511 Y CA -0.018 57.998 58.100 -0.141 0.000 1.201 511 Y CB 1.589 39.950 38.460 -0.164 0.000 1.232 511 Y HN 0.162 nan 8.280 nan 0.000 0.537 512 G N -0.949 107.805 108.800 -0.075 0.000 2.387 512 G HA2 0.343 4.303 3.960 0.001 0.000 0.294 512 G HA3 0.343 4.303 3.960 0.001 0.000 0.294 512 G C -1.214 173.614 174.900 -0.120 0.000 1.509 512 G CA -0.899 44.141 45.100 -0.101 0.000 0.806 512 G HN -0.208 nan 8.290 nan 0.000 0.546 513 T N 0.604 115.089 114.554 -0.114 0.000 2.910 513 T HA 0.381 4.731 4.350 0.001 0.000 0.293 513 T C 0.242 174.866 174.700 -0.127 0.000 1.015 513 T CA -0.121 61.915 62.100 -0.107 0.000 1.094 513 T CB 1.361 70.180 68.868 -0.082 0.000 0.968 513 T HN 0.571 nan 8.240 nan 0.000 0.521 514 L N 5.396 126.549 121.223 -0.117 0.000 2.433 514 L HA 0.317 4.658 4.340 0.001 0.000 0.284 514 L C 0.896 177.686 176.870 -0.132 0.000 1.120 514 L CA 0.151 54.915 54.840 -0.126 0.000 0.879 514 L CB -0.485 41.516 42.059 -0.098 0.000 1.232 514 L HN 0.707 nan 8.230 nan 0.000 0.454 515 I N 0.095 120.547 120.570 -0.196 0.000 3.956 515 I HA 0.445 4.615 4.170 0.001 0.000 0.333 515 I C -0.310 175.679 176.117 -0.213 0.000 1.302 515 I CA 0.042 61.232 61.300 -0.183 0.000 1.122 515 I CB 0.183 38.072 38.000 -0.185 0.000 1.013 515 I HN 0.509 nan 8.210 nan 0.000 0.405 516 D N -0.105 120.150 120.400 -0.241 0.000 2.755 516 D HA 0.178 4.819 4.640 0.001 0.000 0.277 516 D C -0.863 175.367 176.300 -0.117 0.000 1.261 516 D CA -0.476 53.414 54.000 -0.182 0.000 0.759 516 D CB 1.035 41.770 40.800 -0.110 0.000 1.279 516 D HN 0.020 nan 8.370 nan 0.000 0.420 517 H N 1.781 120.875 119.070 0.039 0.000 3.187 517 H HA 0.129 4.686 4.556 0.001 0.000 0.286 517 H C 0.537 175.878 175.328 0.022 0.000 0.944 517 H CA 1.415 57.484 56.048 0.034 0.000 1.429 517 H CB -0.479 29.322 29.762 0.065 0.000 1.483 517 H HN 0.508 nan 8.280 nan 0.000 0.555 518 N N 0.807 119.578 118.700 0.119 0.000 2.878 518 N HA -0.194 4.547 4.740 0.001 0.000 0.247 518 N C -0.829 174.686 175.510 0.009 0.000 1.021 518 N CA 0.697 53.786 53.050 0.066 0.000 0.873 518 N CB -0.820 37.728 38.487 0.102 0.000 1.128 518 N HN 0.490 nan 8.380 nan 0.000 0.571 519 I N 0.619 121.149 120.570 -0.066 0.000 2.499 519 I HA 0.420 4.590 4.170 0.001 0.000 0.288 519 I C -0.605 175.357 176.117 -0.258 0.000 1.048 519 I CA -0.866 60.318 61.300 -0.192 0.000 1.062 519 I CB 2.028 39.822 38.000 -0.343 0.000 1.238 519 I HN -0.253 nan 8.210 nan 0.000 0.426 520 V N 4.758 124.532 119.914 -0.233 0.000 2.495 520 V HA 0.524 4.644 4.120 0.001 0.000 0.298 520 V C 0.503 176.446 176.094 -0.251 0.000 1.031 520 V CA -0.561 61.602 62.300 -0.229 0.000 0.871 520 V CB 1.904 33.612 31.823 -0.192 0.000 0.988 520 V HN 0.858 nan 8.190 nan 0.000 0.432 521 G N 2.705 111.369 108.800 -0.225 0.000 2.530 521 G HA2 0.325 4.286 3.960 0.001 0.000 0.313 521 G HA3 0.325 4.286 3.960 0.001 0.000 0.313 521 G C 0.270 175.100 174.900 -0.116 0.000 0.971 521 G CA -0.145 44.858 45.100 -0.161 0.000 1.237 521 G HN 0.655 nan 8.290 nan 0.000 0.446 522 T N 2.639 117.114 114.554 -0.131 0.000 2.871 522 T HA 0.094 4.445 4.350 0.001 0.000 0.296 522 T C 1.188 175.993 174.700 0.175 0.000 0.998 522 T CA 0.333 62.367 62.100 -0.109 0.000 1.162 522 T CB 0.390 69.023 68.868 -0.393 0.000 0.947 522 T HN 0.460 nan 8.240 nan 0.000 0.536 523 T N 5.532 120.119 114.554 0.054 0.000 2.939 523 T HA 0.164 4.515 4.350 0.001 0.000 0.319 523 T C 0.309 175.042 174.700 0.056 0.000 1.082 523 T CA 0.058 62.144 62.100 -0.023 0.000 1.133 523 T CB -0.069 68.755 68.868 -0.073 0.000 1.019 523 T HN 0.885 nan 8.240 nan 0.000 0.548 524 H N -0.309 118.600 119.070 -0.268 0.000 2.917 524 H HA 0.434 4.991 4.556 0.001 0.000 0.299 524 H C -1.424 173.692 175.328 -0.353 0.000 1.418 524 H CA -1.083 54.682 56.048 -0.472 0.000 1.138 524 H CB 0.928 29.965 29.762 -1.209 0.000 1.830 524 H HN 0.543 nan 8.280 nan 0.000 0.514 525 Q N 0.094 119.711 119.800 -0.304 0.000 2.416 525 Q HA 0.393 4.734 4.340 0.001 0.000 0.279 525 Q C -0.937 174.888 176.000 -0.291 0.000 1.101 525 Q CA -0.988 54.677 55.803 -0.231 0.000 0.830 525 Q CB 2.624 31.305 28.738 -0.094 0.000 1.402 525 Q HN 0.517 nan 8.270 nan 0.000 0.445 526 H N 1.305 120.336 119.070 -0.065 0.000 2.800 526 H HA 0.428 4.984 4.556 0.001 0.000 0.322 526 H C -0.898 174.217 175.328 -0.355 0.000 0.979 526 H CA -0.246 55.680 56.048 -0.202 0.000 1.277 526 H CB 0.835 30.528 29.762 -0.115 0.000 1.484 526 H HN 0.438 nan 8.280 nan 0.000 0.512 527 I N 4.765 125.160 120.570 -0.292 0.000 2.382 527 I HA 0.189 4.360 4.170 0.001 0.000 0.285 527 I C -0.723 175.270 176.117 -0.207 0.000 1.007 527 I CA -0.668 60.532 61.300 -0.167 0.000 1.142 527 I CB 0.757 38.711 38.000 -0.077 0.000 1.289 527 I HN 0.354 nan 8.210 nan 0.000 0.453 528 Y N 4.919 125.325 120.300 0.177 0.000 2.419 528 Y HA 0.465 5.016 4.550 0.001 0.000 0.328 528 Y C 0.426 176.378 175.900 0.088 0.000 1.162 528 Y CA -0.730 57.420 58.100 0.083 0.000 1.174 528 Y CB 1.115 39.623 38.460 0.080 0.000 1.228 528 Y HN 0.493 nan 8.280 nan 0.000 0.473 529 N N 1.360 120.076 118.700 0.026 0.000 2.287 529 N HA 0.364 5.105 4.740 0.001 0.000 0.289 529 N C -2.293 173.078 175.510 -0.233 0.000 1.066 529 N CA -0.472 52.620 53.050 0.070 0.000 0.841 529 N CB 1.309 39.935 38.487 0.231 0.000 1.599 529 N HN 0.502 nan 8.380 nan 0.000 0.476 530 F N 1.227 121.308 119.950 0.218 0.000 2.467 530 F HA 0.453 4.981 4.527 0.001 0.000 0.336 530 F C 0.939 176.757 175.800 0.030 0.000 1.123 530 F CA -0.844 57.232 58.000 0.126 0.000 0.964 530 F CB 1.737 40.781 39.000 0.072 0.000 1.136 530 F HN 0.243 nan 8.300 nan 0.000 0.447 531 R N 4.822 125.327 120.500 0.008 0.000 2.205 531 R HA 0.517 4.858 4.340 0.001 0.000 0.342 531 R C -1.584 174.548 176.300 -0.280 0.000 1.058 531 R CA -0.358 55.450 56.100 -0.486 0.000 0.904 531 R CB 0.187 30.027 30.300 -0.767 0.000 1.089 531 R HN 0.741 nan 8.270 nan 0.000 0.471 532 L N 4.292 125.365 121.223 -0.250 0.000 2.301 532 L HA 0.249 4.590 4.340 0.001 0.000 0.278 532 L C -0.172 176.619 176.870 -0.132 0.000 1.022 532 L CA -0.757 54.016 54.840 -0.110 0.000 0.854 532 L CB 1.474 43.526 42.059 -0.013 0.000 1.226 532 L HN 0.436 nan 8.230 nan 0.000 0.429 533 D N 4.632 124.975 120.400 -0.096 0.000 2.498 533 D HA 0.205 4.845 4.640 0.001 0.000 0.229 533 D C -0.223 176.123 176.300 0.075 0.000 1.188 533 D CA 0.036 54.045 54.000 0.015 0.000 1.028 533 D CB 0.173 41.035 40.800 0.103 0.000 1.087 533 D HN 0.326 nan 8.370 nan 0.000 0.510 534 L N 2.290 123.545 121.223 0.054 0.000 2.349 534 L HA 0.297 4.638 4.340 0.001 0.000 0.275 534 L C 0.136 177.068 176.870 0.103 0.000 1.115 534 L CA -0.416 54.461 54.840 0.062 0.000 0.820 534 L CB 0.973 43.034 42.059 0.004 0.000 1.135 534 L HN 0.075 nan 8.230 nan 0.000 0.445 535 D N 2.631 123.118 120.400 0.145 0.000 2.432 535 D HA 0.183 4.823 4.640 0.001 0.000 0.265 535 D C -0.388 175.961 176.300 0.082 0.000 1.160 535 D CA -0.250 53.818 54.000 0.113 0.000 0.911 535 D CB 1.634 42.519 40.800 0.142 0.000 1.052 535 D HN 0.035 nan 8.370 nan 0.000 0.508 536 V N 2.776 122.748 119.914 0.097 0.000 2.393 536 V HA -0.015 4.105 4.120 0.001 0.000 0.257 536 V C 0.947 177.156 176.094 0.190 0.000 1.040 536 V CA 0.144 62.559 62.300 0.191 0.000 1.097 536 V CB -0.056 31.913 31.823 0.243 0.000 1.101 536 V HN 0.576 nan 8.190 nan 0.000 0.479 537 D N 3.518 124.041 120.400 0.206 0.000 2.911 537 D HA -0.135 4.505 4.640 0.001 0.000 0.227 537 D C 0.363 176.623 176.300 -0.067 0.000 1.164 537 D CA 1.782 55.806 54.000 0.040 0.000 0.782 537 D CB -0.985 39.758 40.800 -0.095 0.000 1.094 537 D HN 1.250 nan 8.370 nan 0.000 0.425 538 G N -0.679 108.066 108.800 -0.091 0.000 2.347 538 G HA2 0.192 4.152 3.960 0.001 0.000 0.321 538 G HA3 0.192 4.152 3.960 0.001 0.000 0.321 538 G C 0.235 175.090 174.900 -0.074 0.000 1.412 538 G CA 0.211 45.227 45.100 -0.139 0.000 0.990 538 G HN 0.093 nan 8.290 nan 0.000 0.637 539 E N -0.244 119.911 120.200 -0.075 0.000 2.385 539 E HA -0.011 4.339 4.350 0.001 0.000 0.194 539 E C 0.124 176.725 176.600 0.002 0.000 1.013 539 E CA 0.124 56.508 56.400 -0.025 0.000 0.866 539 E CB 0.009 29.679 29.700 -0.051 0.000 0.832 539 E HN 0.310 nan 8.360 nan 0.000 0.500 540 N N 2.274 120.971 118.700 -0.005 0.000 2.448 540 N HA 0.168 4.909 4.740 0.001 0.000 0.250 540 N C -0.955 174.571 175.510 0.027 0.000 1.136 540 N CA 0.079 53.136 53.050 0.013 0.000 0.953 540 N CB 0.434 38.923 38.487 0.004 0.000 1.251 540 N HN 0.259 nan 8.380 nan 0.000 0.502 541 N N -0.167 118.560 118.700 0.045 0.000 2.381 541 N HA 0.481 5.221 4.740 0.001 0.000 0.294 541 N C -0.936 174.609 175.510 0.058 0.000 1.216 541 N CA -0.680 52.403 53.050 0.055 0.000 0.803 541 N CB 1.471 40.000 38.487 0.071 0.000 1.372 541 N HN 0.144 nan 8.380 nan 0.000 0.500 542 S N 0.759 116.492 115.700 0.055 0.000 2.548 542 S HA 0.393 4.864 4.470 0.001 0.000 0.286 542 S C -1.412 173.216 174.600 0.046 0.000 1.098 542 S CA -0.605 57.627 58.200 0.053 0.000 0.930 542 S CB 1.672 64.897 63.200 0.043 0.000 1.070 542 S HN 0.383 nan 8.310 nan 0.000 0.480 543 L N 3.563 124.814 121.223 0.047 0.000 2.265 543 L HA 0.642 4.983 4.340 0.001 0.000 0.288 543 L C -1.070 175.795 176.870 -0.009 0.000 1.058 543 L CA -0.034 54.825 54.840 0.031 0.000 0.809 543 L CB 0.449 42.542 42.059 0.058 0.000 1.179 543 L HN 0.451 nan 8.230 nan 0.000 0.429 544 V N 4.701 124.579 119.914 -0.060 0.000 2.628 544 V HA 0.845 4.965 4.120 0.001 0.000 0.306 544 V C 0.131 176.083 176.094 -0.235 0.000 1.045 544 V CA -0.546 61.676 62.300 -0.129 0.000 0.905 544 V CB 1.517 33.271 31.823 -0.115 0.000 0.997 544 V HN 0.967 nan 8.190 nan 0.000 0.436 545 A N 5.598 128.165 122.820 -0.421 0.000 2.317 545 A HA 0.922 5.242 4.320 0.001 0.000 0.327 545 A C -0.525 176.737 177.584 -0.537 0.000 1.178 545 A CA -0.575 51.108 52.037 -0.591 0.000 0.817 545 A CB 0.826 19.141 19.000 -1.142 0.000 1.189 545 A HN 0.828 nan 8.150 nan 0.000 0.489 546 M N 2.823 122.212 119.600 -0.352 0.000 2.053 546 M HA 0.279 4.760 4.480 0.001 0.000 0.297 546 M C -1.626 174.596 176.300 -0.130 0.000 0.921 546 M CA -0.520 54.645 55.300 -0.224 0.000 0.918 546 M CB 1.763 34.242 32.600 -0.201 0.000 1.499 546 M HN 0.499 nan 8.290 nan 0.000 0.422 547 D N 5.050 125.416 120.400 -0.055 0.000 2.412 547 D HA 0.367 5.007 4.640 0.001 0.000 0.224 547 D C -2.458 173.857 176.300 0.024 0.000 1.093 547 D CA -1.421 52.583 54.000 0.006 0.000 0.850 547 D CB 1.228 42.080 40.800 0.086 0.000 1.046 547 D HN 0.148 nan 8.370 nan 0.000 0.507 548 P HA -0.004 nan 4.420 nan 0.000 0.263 548 P C -0.465 176.851 177.300 0.027 0.000 1.195 548 P CA -0.094 63.022 63.100 0.027 0.000 0.762 548 P CB 0.710 32.426 31.700 0.026 0.000 0.799 549 V N 1.231 121.163 119.914 0.030 0.000 3.078 549 V HA 0.498 4.618 4.120 0.001 0.000 0.311 549 V C -0.499 175.609 176.094 0.023 0.000 1.138 549 V CA -1.106 61.210 62.300 0.026 0.000 1.007 549 V CB 2.239 34.081 31.823 0.032 0.000 1.045 549 V HN 0.060 nan 8.190 nan 0.000 0.432 550 V N 3.531 123.456 119.914 0.018 0.000 2.339 550 V HA 0.417 4.538 4.120 0.001 0.000 0.261 550 V C 0.265 176.368 176.094 0.015 0.000 1.058 550 V CA -0.339 61.970 62.300 0.016 0.000 0.897 550 V CB 0.291 32.121 31.823 0.012 0.000 1.052 550 V HN 0.824 nan 8.190 nan 0.000 0.480 551 K N 5.704 126.114 120.400 0.016 0.000 2.138 551 K HA 0.507 4.828 4.320 0.001 0.000 0.263 551 K C -2.673 173.934 176.600 0.012 0.000 0.965 551 K CA -2.313 53.982 56.287 0.015 0.000 0.868 551 K CB 1.872 34.382 32.500 0.017 0.000 1.083 551 K HN 0.227 nan 8.250 nan 0.000 0.443 552 P HA -0.029 nan 4.420 nan 0.000 0.266 552 P C -0.297 177.008 177.300 0.009 0.000 1.195 552 P CA -0.146 62.959 63.100 0.008 0.000 0.768 552 P CB 0.343 32.047 31.700 0.007 0.000 0.838 553 N N 1.670 120.375 118.700 0.008 0.000 2.431 553 N HA 0.026 4.766 4.740 0.001 0.000 0.265 553 N C 0.518 176.033 175.510 0.007 0.000 1.184 553 N CA 0.317 53.371 53.050 0.008 0.000 0.943 553 N CB -0.099 38.392 38.487 0.007 0.000 1.080 553 N HN 0.311 nan 8.380 nan 0.000 0.477 554 T N 0.066 114.625 114.554 0.008 0.000 3.092 554 T HA 0.336 4.686 4.350 0.001 0.000 0.258 554 T C 0.914 175.617 174.700 0.006 0.000 1.031 554 T CA 0.007 62.111 62.100 0.007 0.000 0.925 554 T CB 0.183 69.056 68.868 0.007 0.000 1.036 554 T HN 0.386 nan 8.240 nan 0.000 0.544 555 A N 0.785 123.609 122.820 0.006 0.000 2.465 555 A HA 0.750 5.070 4.320 0.001 0.000 0.255 555 A C 1.449 179.035 177.584 0.004 0.000 1.274 555 A CA 0.038 52.079 52.037 0.005 0.000 0.920 555 A CB -0.877 18.126 19.000 0.006 0.000 1.033 555 A HN 1.107 nan 8.150 nan 0.000 0.516 556 G N -0.686 108.116 108.800 0.004 0.000 2.692 556 G HA2 0.313 4.274 3.960 0.001 0.000 0.248 556 G HA3 0.313 4.274 3.960 0.001 0.000 0.248 556 G C 1.090 175.993 174.900 0.004 0.000 1.340 556 G CA 0.131 45.233 45.100 0.004 0.000 0.896 556 G HN 2.511 nan 8.290 nan 0.000 0.570 557 G N -2.396 106.406 108.800 0.003 0.000 2.828 557 G HA2 0.224 4.184 3.960 0.001 0.000 0.463 557 G HA3 0.224 4.184 3.960 0.001 0.000 0.463 557 G C -0.875 174.027 174.900 0.003 0.000 1.394 557 G CA 0.642 45.744 45.100 0.003 0.000 0.862 557 G HN 1.419 nan 8.290 nan 0.000 0.540 558 P HA 0.169 nan 4.420 nan 0.000 0.245 558 P C 0.811 178.113 177.300 0.004 0.000 1.203 558 P CA 0.134 63.236 63.100 0.003 0.000 0.792 558 P CB 0.230 31.931 31.700 0.003 0.000 0.997 559 R N 0.537 121.039 120.500 0.004 0.000 2.570 559 R HA 0.080 4.420 4.340 0.001 0.000 0.277 559 R C 1.489 177.792 176.300 0.005 0.000 1.039 559 R CA 0.786 56.889 56.100 0.005 0.000 1.065 559 R CB -0.028 30.275 30.300 0.006 0.000 0.964 559 R HN 0.188 nan 8.270 nan 0.000 0.428 560 T N -2.245 112.312 114.554 0.005 0.000 3.035 560 T HA 0.001 4.351 4.350 0.001 0.000 0.259 560 T C 0.915 175.619 174.700 0.006 0.000 1.078 560 T CA 0.501 62.604 62.100 0.005 0.000 1.132 560 T CB 0.186 69.057 68.868 0.005 0.000 0.900 560 T HN 0.550 nan 8.240 nan 0.000 0.480 561 S N 0.663 116.367 115.700 0.007 0.000 2.667 561 S HA 0.752 5.223 4.470 0.001 0.000 0.292 561 S C -0.580 174.025 174.600 0.010 0.000 1.126 561 S CA -0.391 57.814 58.200 0.008 0.000 0.881 561 S CB 2.007 65.212 63.200 0.009 0.000 1.132 561 S HN 0.747 nan 8.310 nan 0.000 0.492 562 T N -1.821 112.740 114.554 0.012 0.000 2.864 562 T HA 0.648 4.999 4.350 0.001 0.000 0.299 562 T C -0.866 173.844 174.700 0.016 0.000 1.166 562 T CA -0.939 61.169 62.100 0.013 0.000 1.007 562 T CB 1.120 69.996 68.868 0.014 0.000 1.219 562 T HN 0.657 nan 8.240 nan 0.000 0.506 563 M N 2.118 121.729 119.600 0.018 0.000 2.080 563 M HA 0.434 4.915 4.480 0.001 0.000 0.350 563 M C -0.144 176.172 176.300 0.027 0.000 1.173 563 M CA -0.349 54.965 55.300 0.023 0.000 1.052 563 M CB 1.181 33.795 32.600 0.024 0.000 1.577 563 M HN 0.590 nan 8.290 nan 0.000 0.455 564 Q N 1.495 121.314 119.800 0.030 0.000 2.528 564 Q HA 0.775 5.116 4.340 0.001 0.000 0.289 564 Q C -1.315 174.710 176.000 0.041 0.000 1.091 564 Q CA -1.066 54.758 55.803 0.035 0.000 0.797 564 Q CB 3.356 32.113 28.738 0.031 0.000 1.466 564 Q HN 0.465 nan 8.270 nan 0.000 0.436 565 V N 1.589 121.531 119.914 0.046 0.000 2.628 565 V HA 0.350 4.470 4.120 0.001 0.000 0.306 565 V C -0.791 175.338 176.094 0.058 0.000 1.045 565 V CA -0.939 61.390 62.300 0.048 0.000 0.905 565 V CB 1.894 33.746 31.823 0.048 0.000 0.997 565 V HN 0.635 nan 8.190 nan 0.000 0.436 566 N N 3.615 122.360 118.700 0.075 0.000 2.462 566 N HA 0.252 4.993 4.740 0.001 0.000 0.242 566 N C -0.491 175.087 175.510 0.113 0.000 1.010 566 N CA -0.082 53.049 53.050 0.134 0.000 0.939 566 N CB 1.449 40.065 38.487 0.214 0.000 1.127 566 N HN 0.747 nan 8.380 nan 0.000 0.509 567 Q N 3.077 122.931 119.800 0.089 0.000 2.303 567 Q HA 0.343 4.683 4.340 0.001 0.000 0.257 567 Q C -1.404 174.660 176.000 0.108 0.000 0.941 567 Q CA -0.686 55.115 55.803 -0.003 0.000 0.931 567 Q CB 0.524 29.263 28.738 0.001 0.000 1.215 567 Q HN 0.577 nan 8.270 nan 0.000 0.437 568 Y N 0.707 121.006 120.300 -0.002 0.000 2.597 568 Y HA 0.570 5.120 4.550 0.001 0.000 0.340 568 Y C -1.220 174.683 175.900 0.005 0.000 1.097 568 Y CA -1.580 56.522 58.100 0.004 0.000 1.037 568 Y CB 0.881 39.344 38.460 0.004 0.000 1.305 568 Y HN 0.462 nan 8.280 nan 0.000 0.463 569 N N 1.049 119.857 118.700 0.179 0.000 2.515 569 N HA 0.453 5.193 4.740 0.001 0.000 0.279 569 N C -1.107 174.503 175.510 0.167 0.000 1.164 569 N CA -0.442 52.672 53.050 0.106 0.000 0.982 569 N CB 1.077 39.613 38.487 0.082 0.000 1.170 569 N HN 0.682 nan 8.380 nan 0.000 0.474 570 I N 1.367 122.001 120.570 0.105 0.000 2.361 570 I HA 0.213 4.383 4.170 0.001 0.000 0.282 570 I C 1.363 177.537 176.117 0.095 0.000 1.075 570 I CA -0.350 61.022 61.300 0.121 0.000 1.205 570 I CB 0.869 38.931 38.000 0.103 0.000 1.406 570 I HN 0.726 nan 8.210 nan 0.000 0.481 571 G N 6.092 114.947 108.800 0.091 0.000 2.443 571 G HA2 -0.098 3.862 3.960 0.001 0.000 0.219 571 G HA3 -0.098 3.862 3.960 0.001 0.000 0.219 571 G C 0.526 175.472 174.900 0.076 0.000 1.131 571 G CA 0.292 45.438 45.100 0.076 0.000 0.775 571 G HN 0.681 nan 8.290 nan 0.000 0.547 572 N N -1.314 117.434 118.700 0.080 0.000 2.732 572 N HA 0.169 4.910 4.740 0.001 0.000 0.259 572 N C 0.078 175.645 175.510 0.095 0.000 1.402 572 N CA -0.604 52.496 53.050 0.084 0.000 0.829 572 N CB 1.185 39.715 38.487 0.073 0.000 1.495 572 N HN -0.031 nan 8.380 nan 0.000 0.511 573 E N 0.357 120.623 120.200 0.110 0.000 2.086 573 E HA -0.304 4.047 4.350 0.001 0.000 0.200 573 E C 1.485 178.149 176.600 0.107 0.000 1.012 573 E CA 1.978 58.459 56.400 0.134 0.000 0.812 573 E CB -0.028 29.764 29.700 0.153 0.000 0.743 573 E HN 0.561 nan 8.360 nan 0.000 0.453 574 Q N 0.590 120.438 119.800 0.080 0.000 2.119 574 Q HA -0.169 4.172 4.340 0.001 0.000 0.201 574 Q C 1.401 177.407 176.000 0.011 0.000 0.972 574 Q CA 1.579 57.410 55.803 0.047 0.000 0.847 574 Q CB 0.171 28.936 28.738 0.045 0.000 0.903 574 Q HN 0.154 nan 8.270 nan 0.000 0.433 575 D N -0.824 119.594 120.400 0.031 0.000 2.269 575 D HA -0.032 4.609 4.640 0.001 0.000 0.208 575 D C 1.269 177.583 176.300 0.024 0.000 0.963 575 D CA 1.037 55.053 54.000 0.027 0.000 0.864 575 D CB -0.030 40.801 40.800 0.052 0.000 0.936 575 D HN 0.379 nan 8.370 nan 0.000 0.505 576 A N 0.516 123.358 122.820 0.036 0.000 2.021 576 A HA 0.283 4.604 4.320 0.001 0.000 0.216 576 A C 1.430 178.989 177.584 -0.042 0.000 1.163 576 A CA 0.600 52.663 52.037 0.044 0.000 0.676 576 A CB -0.171 18.893 19.000 0.107 0.000 0.818 576 A HN 0.157 nan 8.150 nan 0.000 0.453 577 A N 1.030 123.761 122.820 -0.149 0.000 2.444 577 A HA 0.486 4.807 4.320 0.001 0.000 0.287 577 A C 0.157 177.468 177.584 -0.455 0.000 1.195 577 A CA 0.104 51.817 52.037 -0.540 0.000 0.858 577 A CB -0.577 17.982 19.000 -0.735 0.000 1.117 577 A HN 0.697 nan 8.150 nan 0.000 0.521 578 Q N 2.093 121.650 119.800 -0.404 0.000 2.534 578 Q HA 0.485 4.825 4.340 0.001 0.000 0.290 578 Q C -1.202 174.735 176.000 -0.105 0.000 0.991 578 Q CA -1.301 54.387 55.803 -0.190 0.000 0.783 578 Q CB 1.032 29.736 28.738 -0.056 0.000 1.470 578 Q HN 0.361 nan 8.270 nan 0.000 0.406 579 K N 0.887 121.267 120.400 -0.034 0.000 2.380 579 K HA 0.206 4.526 4.320 0.001 0.000 0.267 579 K C -0.831 175.851 176.600 0.136 0.000 0.990 579 K CA -0.012 56.300 56.287 0.042 0.000 0.946 579 K CB 0.247 32.757 32.500 0.018 0.000 0.937 579 K HN 0.594 nan 8.250 nan 0.000 0.491 580 F N 2.395 122.358 119.950 0.021 0.000 2.388 580 F HA 0.125 4.652 4.527 0.001 0.000 0.358 580 F C -0.197 175.635 175.800 0.052 0.000 1.122 580 F CA -1.518 56.512 58.000 0.049 0.000 1.056 580 F CB 0.822 39.880 39.000 0.097 0.000 1.155 580 F HN 0.375 nan 8.300 nan 0.000 0.461 581 D N 8.771 128.819 120.400 -0.586 0.000 2.317 581 D HA 0.303 4.944 4.640 0.001 0.000 0.234 581 D C -1.978 173.714 176.300 -1.013 0.000 1.112 581 D CA -2.693 50.969 54.000 -0.564 0.000 0.840 581 D CB 1.857 42.492 40.800 -0.275 0.000 1.078 581 D HN 0.293 nan 8.370 nan 0.000 0.486 582 P HA 0.043 nan 4.420 nan 0.000 0.234 582 P C 1.077 178.253 177.300 -0.206 0.000 1.167 582 P CA 0.291 63.110 63.100 -0.468 0.000 0.763 582 P CB 0.247 31.996 31.700 0.083 0.000 0.835 583 G N -0.146 108.529 108.800 -0.209 0.000 2.813 583 G HA2 0.005 3.965 3.960 0.001 0.000 0.209 583 G HA3 0.005 3.965 3.960 0.001 0.000 0.209 583 G C 0.652 175.499 174.900 -0.089 0.000 1.150 583 G CA 0.541 45.584 45.100 -0.096 0.000 0.785 583 G HN 0.437 nan 8.290 nan 0.000 0.535 584 T N -2.028 112.430 114.554 -0.161 0.000 2.940 584 T HA 0.730 5.080 4.350 0.001 0.000 0.288 584 T C -0.620 174.060 174.700 -0.032 0.000 1.045 584 T CA -0.889 61.153 62.100 -0.097 0.000 1.018 584 T CB 2.393 71.197 68.868 -0.107 0.000 1.151 584 T HN -0.082 nan 8.240 nan 0.000 0.529 585 I N 1.249 121.786 120.570 -0.056 0.000 2.465 585 I HA 0.500 4.671 4.170 0.001 0.000 0.291 585 I C -0.110 175.926 176.117 -0.135 0.000 1.014 585 I CA -1.044 60.192 61.300 -0.107 0.000 1.093 585 I CB 1.715 39.528 38.000 -0.313 0.000 1.267 585 I HN 0.405 nan 8.210 nan 0.000 0.431 586 R N 7.246 127.707 120.500 -0.066 0.000 2.409 586 R HA 0.616 4.957 4.340 0.001 0.000 0.313 586 R C -1.205 175.009 176.300 -0.145 0.000 0.953 586 R CA -0.740 55.310 56.100 -0.084 0.000 0.849 586 R CB 1.801 32.129 30.300 0.047 0.000 1.171 586 R HN 0.553 nan 8.270 nan 0.000 0.458 587 L N 3.096 124.201 121.223 -0.196 0.000 2.331 587 L HA 0.489 4.829 4.340 0.001 0.000 0.275 587 L C -0.079 176.766 176.870 -0.041 0.000 1.022 587 L CA -1.255 53.489 54.840 -0.160 0.000 0.812 587 L CB 1.363 43.264 42.059 -0.264 0.000 1.257 587 L HN 0.231 nan 8.230 nan 0.000 0.435 588 L N 2.188 123.432 121.223 0.034 0.000 2.270 588 L HA 0.362 4.702 4.340 0.001 0.000 0.286 588 L C -0.072 176.856 176.870 0.096 0.000 1.059 588 L CA 0.505 55.387 54.840 0.070 0.000 0.839 588 L CB 0.778 42.894 42.059 0.095 0.000 1.221 588 L HN 0.527 nan 8.230 nan 0.000 0.431 589 S N 3.419 119.158 115.700 0.065 0.000 2.654 589 S HA 0.417 4.887 4.470 0.001 0.000 0.283 589 S C -0.229 174.417 174.600 0.077 0.000 1.180 589 S CA -0.663 57.585 58.200 0.080 0.000 1.021 589 S CB 1.026 64.253 63.200 0.046 0.000 1.018 589 S HN 0.640 nan 8.310 nan 0.000 0.532 590 N N 2.152 120.897 118.700 0.076 0.000 2.457 590 N HA 0.307 5.047 4.740 0.001 0.000 0.250 590 N C -2.193 173.330 175.510 0.022 0.000 0.982 590 N CA -2.098 50.978 53.050 0.043 0.000 0.941 590 N CB 1.486 39.990 38.487 0.028 0.000 1.120 590 N HN 0.186 nan 8.380 nan 0.000 0.505 591 P HA 0.085 nan 4.420 nan 0.000 0.241 591 P C 0.132 177.432 177.300 0.001 0.000 1.191 591 P CA 0.577 63.686 63.100 0.014 0.000 0.771 591 P CB 0.426 32.137 31.700 0.019 0.000 0.929 592 N N 0.085 118.781 118.700 -0.007 0.000 2.336 592 N HA 0.062 4.802 4.740 0.001 0.000 0.189 592 N C 0.255 175.745 175.510 -0.033 0.000 1.113 592 N CA 0.431 53.470 53.050 -0.018 0.000 0.858 592 N CB 0.540 39.015 38.487 -0.021 0.000 0.970 592 N HN 0.285 nan 8.380 nan 0.000 0.471 593 K N 0.920 121.296 120.400 -0.040 0.000 2.553 593 K HA 0.343 4.663 4.320 0.001 0.000 0.250 593 K C -0.758 175.799 176.600 -0.073 0.000 0.953 593 K CA -0.396 55.850 56.287 -0.068 0.000 0.800 593 K CB 2.499 34.937 32.500 -0.103 0.000 1.243 593 K HN -0.007 nan 8.250 nan 0.000 0.435 594 E N 1.493 121.649 120.200 -0.074 0.000 2.281 594 E HA 0.223 4.573 4.350 0.001 0.000 0.262 594 E C -0.555 175.991 176.600 -0.090 0.000 0.933 594 E CA -1.136 55.227 56.400 -0.063 0.000 0.809 594 E CB 1.482 31.161 29.700 -0.036 0.000 1.242 594 E HN 0.558 nan 8.360 nan 0.000 0.418 595 N N 0.478 119.132 118.700 -0.076 0.000 2.448 595 N HA 0.080 4.821 4.740 0.001 0.000 0.274 595 N C 0.674 176.154 175.510 -0.051 0.000 1.239 595 N CA -0.551 52.450 53.050 -0.081 0.000 0.982 595 N CB 0.662 39.104 38.487 -0.075 0.000 1.199 595 N HN 0.490 nan 8.380 nan 0.000 0.576 596 R N -1.003 119.472 120.500 -0.042 0.000 2.211 596 R HA -0.065 4.276 4.340 0.001 0.000 0.240 596 R C 0.580 176.864 176.300 -0.027 0.000 1.144 596 R CA 1.470 57.552 56.100 -0.031 0.000 0.992 596 R CB -0.199 30.086 30.300 -0.025 0.000 0.869 596 R HN 0.522 nan 8.270 nan 0.000 0.462 597 M N -0.615 118.969 119.600 -0.027 0.000 2.494 597 M HA 0.247 4.727 4.480 0.001 0.000 0.232 597 M C 0.803 177.096 176.300 -0.013 0.000 1.137 597 M CA 0.695 55.983 55.300 -0.020 0.000 1.012 597 M CB 1.021 33.607 32.600 -0.023 0.000 1.567 597 M HN 0.346 nan 8.290 nan 0.000 0.486 598 G N 0.693 109.484 108.800 -0.015 0.000 2.160 598 G HA2 -0.232 3.728 3.960 0.001 0.000 0.244 598 G HA3 -0.232 3.728 3.960 0.001 0.000 0.244 598 G C -0.098 174.803 174.900 0.003 0.000 1.022 598 G CA -0.260 44.835 45.100 -0.009 0.000 0.741 598 G HN 0.434 nan 8.290 nan 0.000 0.508 599 N N 0.893 119.596 118.700 0.005 0.000 2.430 599 N HA 0.482 5.222 4.740 0.001 0.000 0.292 599 N C -2.678 172.850 175.510 0.029 0.000 1.051 599 N CA -1.562 51.509 53.050 0.034 0.000 0.917 599 N CB 1.800 40.321 38.487 0.056 0.000 1.164 599 N HN -0.034 nan 8.380 nan 0.000 0.484 600 P HA -0.066 nan 4.420 nan 0.000 0.261 600 P C 0.019 177.354 177.300 0.059 0.000 1.183 600 P CA -0.192 62.930 63.100 0.037 0.000 0.761 600 P CB 0.276 32.005 31.700 0.049 0.000 0.785 601 V N 1.811 121.727 119.914 0.004 0.000 2.572 601 V HA 0.453 4.573 4.120 0.001 0.000 0.291 601 V C -0.066 176.131 176.094 0.171 0.000 1.039 601 V CA 0.252 62.553 62.300 0.002 0.000 1.055 601 V CB 0.145 31.816 31.823 -0.253 0.000 0.969 601 V HN 0.485 nan 8.190 nan 0.000 0.482 602 S N 3.363 119.243 115.700 0.300 0.000 2.588 602 S HA 0.723 5.194 4.470 0.001 0.000 0.275 602 S C -1.357 173.462 174.600 0.366 0.000 1.130 602 S CA -0.487 57.905 58.200 0.321 0.000 0.855 602 S CB 1.618 64.950 63.200 0.220 0.000 1.116 602 S HN 0.730 nan 8.310 nan 0.000 0.472 603 Y N 1.821 122.211 120.300 0.150 0.000 2.377 603 Y HA 0.458 5.008 4.550 0.001 0.000 0.339 603 Y C 0.327 176.262 175.900 0.059 0.000 1.011 603 Y CA -0.478 57.676 58.100 0.089 0.000 1.093 603 Y CB 1.492 39.955 38.460 0.005 0.000 1.201 603 Y HN 0.635 nan 8.280 nan 0.000 0.455 604 Q N 4.060 123.937 119.800 0.127 0.000 2.256 604 Q HA 0.543 4.883 4.340 0.001 0.000 0.254 604 Q C -1.490 174.543 176.000 0.055 0.000 0.916 604 Q CA -0.425 55.403 55.803 0.042 0.000 0.932 604 Q CB 0.742 29.538 28.738 0.097 0.000 1.207 604 Q HN 0.723 nan 8.270 nan 0.000 0.426 605 I N 5.737 126.303 120.570 -0.006 0.000 2.355 605 I HA 0.337 4.508 4.170 0.001 0.000 0.288 605 I C -0.668 175.334 176.117 -0.191 0.000 0.999 605 I CA -0.560 60.709 61.300 -0.052 0.000 1.163 605 I CB 1.287 39.262 38.000 -0.041 0.000 1.316 605 I HN 0.597 nan 8.210 nan 0.000 0.454 606 I N 8.537 128.978 120.570 -0.215 0.000 2.495 606 I HA 0.275 4.446 4.170 0.001 0.000 0.277 606 I C -1.916 173.991 176.117 -0.350 0.000 1.045 606 I CA -1.434 59.653 61.300 -0.354 0.000 1.135 606 I CB 1.646 39.608 38.000 -0.064 0.000 1.241 606 I HN 0.320 nan 8.210 nan 0.000 0.469 607 P HA -0.113 nan 4.420 nan 0.000 0.225 607 P C -0.396 176.961 177.300 0.094 0.000 1.156 607 P CA 1.037 64.022 63.100 -0.192 0.000 0.787 607 P CB 0.072 31.646 31.700 -0.211 0.000 0.802 608 Y N -0.142 120.165 120.300 0.013 0.000 2.488 608 Y HA 0.615 5.165 4.550 0.001 0.000 0.330 608 Y C -0.183 175.864 175.900 0.245 0.000 1.013 608 Y CA -1.387 56.851 58.100 0.230 0.000 1.304 608 Y CB 0.638 39.322 38.460 0.372 0.000 1.098 608 Y HN -0.179 nan 8.280 nan 0.000 0.498 609 A N 3.728 126.368 122.820 -0.299 0.000 2.594 609 A HA 0.731 5.052 4.320 0.001 0.000 0.287 609 A C 0.725 178.094 177.584 -0.358 0.000 1.227 609 A CA 0.231 52.107 52.037 -0.268 0.000 0.952 609 A CB -0.624 18.317 19.000 -0.100 0.000 1.161 609 A HN 1.538 nan 8.150 nan 0.000 0.524 610 G N -2.116 106.177 108.800 -0.844 0.000 2.423 610 G HA2 0.521 4.481 3.960 0.001 0.000 0.684 610 G HA3 0.521 4.481 3.960 0.001 0.000 0.684 610 G C -0.225 174.636 174.900 -0.064 0.000 1.309 610 G CA -0.277 44.542 45.100 -0.470 0.000 0.950 610 G HN 1.896 nan 8.290 nan 0.000 0.587 611 G N -2.269 106.598 108.800 0.111 0.000 2.523 611 G HA2 0.755 4.715 3.960 0.001 0.000 0.291 611 G HA3 0.755 4.715 3.960 0.001 0.000 0.291 611 G C 0.589 175.554 174.900 0.108 0.000 1.450 611 G CA 0.985 46.137 45.100 0.087 0.000 0.790 611 G HN 2.013 nan 8.290 nan 0.000 0.496 612 T N -2.822 111.759 114.554 0.044 0.000 3.057 612 T HA 0.249 4.600 4.350 0.001 0.000 0.254 612 T C 0.701 175.429 174.700 0.047 0.000 1.094 612 T CA 0.668 62.783 62.100 0.025 0.000 1.088 612 T CB -0.033 68.819 68.868 -0.026 0.000 0.934 612 T HN 0.412 nan 8.240 nan 0.000 0.497 613 H N 1.739 120.814 119.070 0.009 0.000 2.559 613 H HA 0.590 5.146 4.556 0.001 0.000 0.343 613 H C -2.401 172.947 175.328 0.034 0.000 1.209 613 H CA -2.460 53.577 56.048 -0.020 0.000 1.287 613 H CB 0.753 30.470 29.762 -0.076 0.000 1.650 613 H HN 0.074 nan 8.280 nan 0.000 0.567 614 P HA -0.022 nan 4.420 nan 0.000 0.269 614 P C -0.445 176.904 177.300 0.082 0.000 1.215 614 P CA -0.094 63.052 63.100 0.076 0.000 0.780 614 P CB 0.617 32.323 31.700 0.011 0.000 0.898 615 V N 1.950 121.891 119.914 0.045 0.000 2.686 615 V HA 0.552 4.673 4.120 0.001 0.000 0.295 615 V C -0.156 175.917 176.094 -0.035 0.000 1.057 615 V CA -0.638 61.658 62.300 -0.005 0.000 1.012 615 V CB 0.838 32.521 31.823 -0.234 0.000 1.006 615 V HN 0.674 nan 8.190 nan 0.000 0.477 616 A N 5.094 127.910 122.820 -0.006 0.000 2.347 616 A HA 0.414 4.735 4.320 0.001 0.000 0.287 616 A C 0.844 178.415 177.584 -0.022 0.000 1.199 616 A CA -0.296 51.739 52.037 -0.004 0.000 0.851 616 A CB 0.248 19.264 19.000 0.028 0.000 1.118 616 A HN 1.008 nan 8.150 nan 0.000 0.525 617 K N 1.764 122.149 120.400 -0.025 0.000 2.217 617 K HA 0.170 4.491 4.320 0.001 0.000 0.202 617 K C 1.062 177.673 176.600 0.019 0.000 1.051 617 K CA 1.191 57.464 56.287 -0.022 0.000 0.952 617 K CB 0.170 32.654 32.500 -0.027 0.000 0.736 617 K HN 0.883 nan 8.250 nan 0.000 0.453 618 G N -0.616 108.208 108.800 0.039 0.000 2.494 618 G HA2 0.494 4.454 3.960 0.001 0.000 0.308 618 G HA3 0.494 4.454 3.960 0.001 0.000 0.308 618 G C -1.678 173.274 174.900 0.087 0.000 1.263 618 G CA -0.474 44.668 45.100 0.070 0.000 0.840 618 G HN 0.085 nan 8.290 nan 0.000 0.479 619 A N -0.046 122.859 122.820 0.142 0.000 2.488 619 A HA 0.484 4.804 4.320 0.001 0.000 0.249 619 A C 0.553 178.285 177.584 0.247 0.000 1.083 619 A CA 0.119 52.302 52.037 0.244 0.000 0.768 619 A CB 0.208 19.414 19.000 0.343 0.000 1.017 619 A HN 0.391 nan 8.150 nan 0.000 0.496 620 Q N 1.835 121.702 119.800 0.111 0.000 2.945 620 Q HA 0.241 4.582 4.340 0.001 0.000 0.323 620 Q C -1.473 174.320 176.000 -0.346 0.000 1.188 620 Q CA 0.579 56.316 55.803 -0.110 0.000 0.929 620 Q CB -0.563 28.052 28.738 -0.204 0.000 1.531 620 Q HN 0.605 nan 8.270 nan 0.000 0.444 621 F N -0.700 119.312 119.950 0.102 0.000 2.588 621 F HA 0.500 5.028 4.527 0.001 0.000 0.310 621 F C 0.342 176.126 175.800 -0.027 0.000 1.082 621 F CA -1.242 56.813 58.000 0.092 0.000 0.929 621 F CB 1.069 40.186 39.000 0.196 0.000 1.254 621 F HN 0.039 nan 8.300 nan 0.000 0.455 622 A N 3.089 125.976 122.820 0.112 0.000 2.507 622 A HA 0.279 4.600 4.320 0.001 0.000 0.235 622 A C -1.653 175.733 177.584 -0.330 0.000 1.070 622 A CA -0.859 51.135 52.037 -0.072 0.000 0.768 622 A CB -0.350 18.633 19.000 -0.028 0.000 1.011 622 A HN 0.582 nan 8.150 nan 0.000 0.502 623 P HA -0.073 nan 4.420 nan 0.000 0.239 623 P C 0.032 177.061 177.300 -0.452 0.000 1.184 623 P CA 1.253 63.844 63.100 -0.848 0.000 0.760 623 P CB 0.025 31.451 31.700 -0.457 0.000 0.884 624 D N -1.982 118.266 120.400 -0.252 0.000 2.369 624 D HA -0.003 4.638 4.640 0.001 0.000 0.211 624 D C 0.346 176.555 176.300 -0.151 0.000 1.077 624 D CA 0.004 53.892 54.000 -0.186 0.000 0.842 624 D CB -0.406 40.311 40.800 -0.137 0.000 0.947 624 D HN 0.019 nan 8.370 nan 0.000 0.509 625 E N 0.187 120.371 120.200 -0.026 0.000 2.392 625 E HA -0.025 4.325 4.350 0.001 0.000 0.264 625 E C 0.251 176.892 176.600 0.069 0.000 1.024 625 E CA -0.229 56.236 56.400 0.108 0.000 0.903 625 E CB 0.741 30.593 29.700 0.253 0.000 0.963 625 E HN 0.280 nan 8.360 nan 0.000 0.432 626 W N 2.345 123.726 121.300 0.136 0.000 2.354 626 W HA -0.159 4.501 4.660 0.001 0.000 0.315 626 W C 2.276 178.820 176.519 0.041 0.000 1.206 626 W CA 0.500 57.908 57.345 0.106 0.000 1.290 626 W CB -0.375 29.080 29.460 -0.008 0.000 1.152 626 W HN 0.632 nan 8.180 nan 0.000 0.489 627 I N -0.605 120.030 120.570 0.108 0.000 2.181 627 I HA -0.437 3.734 4.170 0.001 0.000 0.247 627 I C 2.445 178.473 176.117 -0.149 0.000 1.081 627 I CA 1.892 63.124 61.300 -0.114 0.000 1.340 627 I CB -0.432 37.357 38.000 -0.351 0.000 1.036 627 I HN 0.130 nan 8.210 nan 0.000 0.417 628 Y N 0.493 120.652 120.300 -0.235 0.000 2.089 628 Y HA -0.386 4.164 4.550 0.001 0.000 0.282 628 Y C 2.688 178.562 175.900 -0.044 0.000 1.139 628 Y CA 2.346 60.362 58.100 -0.141 0.000 1.123 628 Y CB -0.615 37.818 38.460 -0.045 0.000 0.980 628 Y HN 0.358 nan 8.280 nan 0.000 0.493 629 H N 0.228 119.390 119.070 0.153 0.000 2.353 629 H HA -0.163 4.394 4.556 0.001 0.000 0.298 629 H C 2.026 177.366 175.328 0.020 0.000 1.103 629 H CA 2.384 58.467 56.048 0.059 0.000 1.293 629 H CB -0.072 29.640 29.762 -0.082 0.000 1.372 629 H HN 0.304 nan 8.280 nan 0.000 0.501 630 R N -0.513 120.013 120.500 0.043 0.000 2.236 630 R HA 0.156 4.496 4.340 0.001 0.000 0.208 630 R C -0.030 176.191 176.300 -0.133 0.000 1.036 630 R CA 0.714 56.794 56.100 -0.034 0.000 1.001 630 R CB 0.497 30.843 30.300 0.076 0.000 0.896 630 R HN 0.244 nan 8.270 nan 0.000 0.464 631 L N 0.597 121.713 121.223 -0.180 0.000 2.470 631 L HA 0.245 4.585 4.340 0.001 0.000 0.256 631 L C 0.609 177.293 176.870 -0.310 0.000 1.357 631 L CA -0.385 54.355 54.840 -0.166 0.000 0.902 631 L CB 1.793 43.776 42.059 -0.127 0.000 1.121 631 L HN 0.006 nan 8.230 nan 0.000 0.507 632 S N 0.345 115.896 115.700 -0.249 0.000 2.419 632 S HA -0.245 4.225 4.470 0.001 0.000 0.235 632 S C 1.730 176.339 174.600 0.014 0.000 1.019 632 S CA 1.336 59.440 58.200 -0.160 0.000 0.982 632 S CB -0.566 62.645 63.200 0.018 0.000 0.789 632 S HN 0.705 nan 8.310 nan 0.000 0.490 633 F N 1.236 121.023 119.950 -0.271 0.000 2.287 633 F HA 0.059 4.586 4.527 0.001 0.000 0.301 633 F C 1.995 177.851 175.800 0.095 0.000 1.069 633 F CA 0.829 58.663 58.000 -0.278 0.000 1.372 633 F CB -0.621 38.063 39.000 -0.527 0.000 1.056 633 F HN 0.133 nan 8.300 nan 0.000 0.523 634 M N 0.167 119.342 119.600 -0.709 0.000 2.460 634 M HA -0.125 4.355 4.480 0.001 0.000 0.263 634 M C 0.710 176.918 176.300 -0.152 0.000 1.071 634 M CA 1.616 56.549 55.300 -0.612 0.000 1.096 634 M CB -0.220 32.013 32.600 -0.612 0.000 1.408 634 M HN 0.237 nan 8.290 nan 0.000 0.463 635 D N -0.788 119.605 120.400 -0.011 0.000 2.500 635 D HA 0.098 4.739 4.640 0.001 0.000 0.217 635 D C -0.590 175.759 176.300 0.081 0.000 1.159 635 D CA 0.225 54.248 54.000 0.039 0.000 0.828 635 D CB 0.684 41.469 40.800 -0.025 0.000 1.039 635 D HN -0.081 nan 8.370 nan 0.000 0.512 636 K N 0.218 120.719 120.400 0.168 0.000 2.267 636 K HA 0.383 4.704 4.320 0.001 0.000 0.246 636 K C 0.269 176.984 176.600 0.192 0.000 0.954 636 K CA -0.497 55.783 56.287 -0.012 0.000 0.824 636 K CB 1.676 33.794 32.500 -0.636 0.000 1.167 636 K HN -0.179 nan 8.250 nan 0.000 0.431 637 Q N 0.087 119.970 119.800 0.138 0.000 2.339 637 Q HA 0.161 4.501 4.340 0.001 0.000 0.205 637 Q C -0.170 175.991 176.000 0.269 0.000 0.925 637 Q CA 0.379 56.334 55.803 0.253 0.000 0.898 637 Q CB 0.313 29.216 28.738 0.275 0.000 1.013 637 Q HN 0.322 nan 8.270 nan 0.000 0.504 638 L N 0.066 121.372 121.223 0.138 0.000 2.362 638 L HA 0.557 4.898 4.340 0.001 0.000 0.275 638 L C -1.959 174.939 176.870 0.047 0.000 0.998 638 L CA -0.488 54.454 54.840 0.170 0.000 0.820 638 L CB 1.073 43.196 42.059 0.107 0.000 1.270 638 L HN 0.011 nan 8.230 nan 0.000 0.415 639 W N 4.186 125.622 121.300 0.227 0.000 2.936 639 W HA 0.780 5.440 4.660 0.001 0.000 0.338 639 W C -1.202 175.518 176.519 0.335 0.000 1.121 639 W CA -0.823 56.651 57.345 0.214 0.000 1.209 639 W CB 2.060 31.587 29.460 0.111 0.000 1.420 639 W HN 0.246 nan 8.180 nan 0.000 0.516 640 V N 2.346 122.555 119.914 0.492 0.000 2.623 640 V HA 0.719 4.840 4.120 0.001 0.000 0.304 640 V C -0.214 176.121 176.094 0.402 0.000 1.054 640 V CA -0.844 61.723 62.300 0.445 0.000 0.882 640 V CB 1.606 33.594 31.823 0.275 0.000 1.002 640 V HN 0.587 nan 8.190 nan 0.000 0.424 641 T N 1.632 116.464 114.554 0.464 0.000 2.916 641 T HA 0.673 5.024 4.350 0.001 0.000 0.292 641 T C -0.268 174.607 174.700 0.292 0.000 1.055 641 T CA -1.015 61.300 62.100 0.358 0.000 1.009 641 T CB 1.682 70.782 68.868 0.388 0.000 1.118 641 T HN 0.503 nan 8.240 nan 0.000 0.497 642 R N 0.632 121.264 120.500 0.220 0.000 2.590 642 R HA 0.155 4.495 4.340 0.001 0.000 0.274 642 R C -0.368 176.055 176.300 0.206 0.000 1.061 642 R CA -0.531 55.684 56.100 0.193 0.000 1.081 642 R CB 0.102 30.489 30.300 0.144 0.000 0.984 642 R HN 0.704 nan 8.270 nan 0.000 0.448 643 Y N 3.576 123.937 120.300 0.103 0.000 2.805 643 Y HA -0.111 4.439 4.550 0.001 0.000 0.331 643 Y C -0.449 175.508 175.900 0.095 0.000 1.241 643 Y CA 0.747 58.897 58.100 0.083 0.000 1.546 643 Y CB 0.105 38.590 38.460 0.042 0.000 1.248 643 Y HN 0.432 nan 8.280 nan 0.000 0.559 644 H N 8.450 126.987 119.070 -0.888 0.000 3.096 644 H HA 0.285 4.842 4.556 0.001 0.000 0.335 644 H C -2.393 172.445 175.328 -0.817 0.000 0.990 644 H CA -2.518 53.073 56.048 -0.761 0.000 1.393 644 H CB 2.297 31.837 29.762 -0.370 0.000 1.742 644 H HN 0.409 nan 8.280 nan 0.000 0.501 645 P HA -0.020 nan 4.420 nan 0.000 0.218 645 P C 1.303 178.572 177.300 -0.052 0.000 1.149 645 P CA 1.467 64.449 63.100 -0.196 0.000 0.817 645 P CB 0.139 31.813 31.700 -0.044 0.000 0.785 646 G N -0.637 108.212 108.800 0.082 0.000 2.920 646 G HA2 -0.066 3.895 3.960 0.001 0.000 0.208 646 G HA3 -0.066 3.895 3.960 0.001 0.000 0.208 646 G C 0.328 175.017 174.900 -0.353 0.000 1.159 646 G CA -0.061 44.961 45.100 -0.130 0.000 0.784 646 G HN 0.284 nan 8.290 nan 0.000 0.535 647 E N 0.354 120.240 120.200 -0.523 0.000 2.035 647 E HA 0.378 4.728 4.350 0.001 0.000 0.271 647 E C 0.432 176.789 176.600 -0.406 0.000 0.953 647 E CA -0.313 55.624 56.400 -0.773 0.000 0.777 647 E CB 1.034 30.023 29.700 -1.185 0.000 1.104 647 E HN 0.205 nan 8.360 nan 0.000 0.408 648 R N 1.701 122.003 120.500 -0.330 0.000 2.507 648 R HA 0.179 4.520 4.340 0.001 0.000 0.230 648 R C -0.275 175.699 176.300 -0.542 0.000 0.897 648 R CA 0.101 55.850 56.100 -0.584 0.000 1.006 648 R CB 0.775 30.390 30.300 -1.141 0.000 1.341 648 R HN 0.257 nan 8.270 nan 0.000 0.604 649 F N 2.018 122.138 119.950 0.283 0.000 2.467 649 F HA 0.372 4.899 4.527 0.001 0.000 0.336 649 F C -1.555 174.184 175.800 -0.102 0.000 1.123 649 F CA -2.910 55.138 58.000 0.080 0.000 0.964 649 F CB 1.382 40.338 39.000 -0.073 0.000 1.136 649 F HN -0.247 nan 8.300 nan 0.000 0.447 650 P HA -0.222 nan 4.420 nan 0.000 0.215 650 P C 0.999 177.805 177.300 -0.824 0.000 1.153 650 P CA 1.801 64.456 63.100 -0.741 0.000 0.853 650 P CB 0.181 31.210 31.700 -1.118 0.000 0.788 651 E N 0.597 120.396 120.200 -0.669 0.000 2.502 651 E HA 0.123 4.473 4.350 0.001 0.000 0.194 651 E C 0.914 177.377 176.600 -0.228 0.000 1.062 651 E CA 0.684 56.891 56.400 -0.321 0.000 0.867 651 E CB -0.787 28.822 29.700 -0.151 0.000 0.888 651 E HN 0.215 nan 8.360 nan 0.000 0.510 652 G N 1.740 110.410 108.800 -0.217 0.000 2.712 652 G HA2 -0.297 3.664 3.960 0.001 0.000 0.686 652 G HA3 -0.297 3.664 3.960 0.001 0.000 0.686 652 G C 0.101 174.933 174.900 -0.113 0.000 1.321 652 G CA -0.002 45.003 45.100 -0.159 0.000 0.813 652 G HN 0.200 nan 8.290 nan 0.000 0.599 653 K N -0.670 119.669 120.400 -0.101 0.000 2.062 653 K HA 0.051 4.371 4.320 0.001 0.000 0.205 653 K C 0.361 176.551 176.600 -0.683 0.000 1.051 653 K CA 1.323 57.375 56.287 -0.392 0.000 0.941 653 K CB -0.050 32.261 32.500 -0.315 0.000 0.719 653 K HN 0.497 nan 8.250 nan 0.000 0.440 654 Y N 0.746 120.966 120.300 -0.133 0.000 2.863 654 Y HA 0.259 4.810 4.550 0.001 0.000 0.348 654 Y C -1.986 173.848 175.900 -0.110 0.000 1.028 654 Y CA -2.205 55.823 58.100 -0.120 0.000 1.213 654 Y CB 1.557 39.968 38.460 -0.081 0.000 1.120 654 Y HN 0.164 nan 8.280 nan 0.000 0.598 655 P HA -0.011 nan 4.420 nan 0.000 0.251 655 P C -0.009 177.273 177.300 -0.030 0.000 1.223 655 P CA 0.254 63.325 63.100 -0.048 0.000 0.796 655 P CB 0.497 32.155 31.700 -0.071 0.000 1.068 656 N N 2.315 121.009 118.700 -0.010 0.000 2.427 656 N HA -0.030 4.711 4.740 0.001 0.000 0.269 656 N C 0.347 175.793 175.510 -0.107 0.000 1.235 656 N CA 0.290 53.309 53.050 -0.052 0.000 0.934 656 N CB -0.490 37.973 38.487 -0.040 0.000 1.121 656 N HN -0.054 nan 8.380 nan 0.000 0.480 657 R N 0.358 120.775 120.500 -0.139 0.000 3.770 657 R HA -0.181 4.160 4.340 0.001 0.000 0.305 657 R C -0.159 176.064 176.300 -0.128 0.000 1.184 657 R CA 0.831 56.831 56.100 -0.166 0.000 0.823 657 R CB -2.873 27.184 30.300 -0.404 0.000 1.285 657 R HN 0.720 nan 8.270 nan 0.000 0.499 658 S N -0.471 115.170 115.700 -0.097 0.000 2.576 658 S HA 0.205 4.676 4.470 0.001 0.000 0.272 658 S C 1.440 175.894 174.600 -0.243 0.000 1.352 658 S CA 0.175 58.305 58.200 -0.118 0.000 1.021 658 S CB 1.615 64.748 63.200 -0.111 0.000 0.887 658 S HN 0.381 nan 8.310 nan 0.000 0.542 659 T N -2.968 111.457 114.554 -0.215 0.000 2.975 659 T HA 0.213 4.564 4.350 0.001 0.000 0.257 659 T C 0.438 175.266 174.700 0.214 0.000 1.003 659 T CA 0.092 61.952 62.100 -0.400 0.000 0.932 659 T CB -0.301 68.193 68.868 -0.624 0.000 1.087 659 T HN 0.918 nan 8.240 nan 0.000 0.512 660 H N -0.568 118.493 119.070 -0.014 0.000 2.949 660 H HA 0.630 5.186 4.556 0.001 0.000 0.310 660 H C -1.512 173.765 175.328 -0.085 0.000 1.405 660 H CA -1.254 54.815 56.048 0.035 0.000 1.253 660 H CB 0.356 30.142 29.762 0.040 0.000 1.932 660 H HN 0.030 nan 8.280 nan 0.000 0.602 661 D N 0.730 121.010 120.400 -0.201 0.000 2.316 661 D HA 0.115 4.756 4.640 0.001 0.000 0.245 661 D C 0.230 176.302 176.300 -0.380 0.000 1.171 661 D CA -0.134 53.686 54.000 -0.301 0.000 0.856 661 D CB 0.856 41.483 40.800 -0.288 0.000 1.090 661 D HN 0.650 nan 8.370 nan 0.000 0.476 662 T N 0.651 114.941 114.554 -0.440 0.000 3.215 662 T HA 0.450 4.801 4.350 0.001 0.000 0.271 662 T C 0.791 175.186 174.700 -0.508 0.000 1.012 662 T CA -0.437 61.419 62.100 -0.405 0.000 0.899 662 T CB 0.746 69.405 68.868 -0.348 0.000 1.089 662 T HN 0.277 nan 8.240 nan 0.000 0.552 663 G N 1.102 109.487 108.800 -0.692 0.000 3.310 663 G HA2 0.503 4.464 3.960 0.001 0.000 0.176 663 G HA3 0.503 4.464 3.960 0.001 0.000 0.176 663 G C 0.742 174.657 174.900 -1.642 0.000 1.307 663 G CA -0.797 43.627 45.100 -1.126 0.000 0.935 663 G HN 0.269 nan 8.290 nan 0.000 0.628 664 L N 1.028 121.481 121.223 -1.283 0.000 2.189 664 L HA -0.070 4.270 4.340 0.001 0.000 0.214 664 L C 2.980 179.446 176.870 -0.674 0.000 1.097 664 L CA 1.223 55.363 54.840 -1.167 0.000 0.764 664 L CB -0.414 40.642 42.059 -1.671 0.000 0.900 664 L HN 0.579 nan 8.230 nan 0.000 0.436 665 G N -1.135 107.359 108.800 -0.509 0.000 2.404 665 G HA2 -0.308 3.652 3.960 0.001 0.000 0.215 665 G HA3 -0.308 3.652 3.960 0.001 0.000 0.215 665 G C 1.464 176.257 174.900 -0.179 0.000 1.174 665 G CA 0.638 45.614 45.100 -0.207 0.000 0.780 665 G HN 0.403 nan 8.290 nan 0.000 0.537 666 Q N -0.904 118.709 119.800 -0.312 0.000 2.079 666 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 666 Q C 2.238 178.231 176.000 -0.012 0.000 0.974 666 Q CA 1.071 56.776 55.803 -0.162 0.000 0.840 666 Q CB -0.219 28.396 28.738 -0.205 0.000 0.898 666 Q HN 0.531 nan 8.270 nan 0.000 0.430 667 Y N 0.257 120.464 120.300 -0.155 0.000 2.403 667 Y HA -0.080 4.470 4.550 0.001 0.000 0.291 667 Y C 2.244 178.122 175.900 -0.036 0.000 1.143 667 Y CA 1.171 59.192 58.100 -0.131 0.000 1.257 667 Y CB -0.287 38.020 38.460 -0.254 0.000 0.984 667 Y HN 0.277 nan 8.280 nan 0.000 0.550 668 S N -2.288 113.490 115.700 0.131 0.000 2.629 668 S HA 0.178 4.648 4.470 0.001 0.000 0.236 668 S C 1.534 176.204 174.600 0.116 0.000 1.010 668 S CA -0.402 57.889 58.200 0.153 0.000 0.981 668 S CB 0.256 63.590 63.200 0.223 0.000 0.919 668 S HN 0.030 nan 8.310 nan 0.000 0.514 669 K N 2.473 122.925 120.400 0.086 0.000 2.034 669 K HA -0.144 4.177 4.320 0.001 0.000 0.214 669 K C 0.909 177.553 176.600 0.074 0.000 1.051 669 K CA 2.267 58.596 56.287 0.070 0.000 0.931 669 K CB -0.363 32.172 32.500 0.058 0.000 0.715 669 K HN 0.306 nan 8.250 nan 0.000 0.446 670 D N -0.297 120.152 120.400 0.081 0.000 2.363 670 D HA -0.058 4.583 4.640 0.001 0.000 0.226 670 D C -0.231 176.114 176.300 0.075 0.000 1.020 670 D CA 0.327 54.372 54.000 0.074 0.000 0.892 670 D CB -0.355 40.492 40.800 0.077 0.000 0.900 670 D HN 0.248 nan 8.370 nan 0.000 0.531 671 N N 1.715 120.466 118.700 0.084 0.000 2.671 671 N HA -0.206 4.535 4.740 0.001 0.000 0.261 671 N C -0.834 174.723 175.510 0.080 0.000 1.053 671 N CA 0.401 53.500 53.050 0.082 0.000 0.732 671 N CB -0.761 37.765 38.487 0.066 0.000 0.887 671 N HN 0.309 nan 8.380 nan 0.000 0.546 672 E N -0.289 119.966 120.200 0.092 0.000 2.371 672 E HA 0.220 4.571 4.350 0.001 0.000 0.257 672 E C 0.221 176.873 176.600 0.086 0.000 1.134 672 E CA -0.478 55.974 56.400 0.086 0.000 0.919 672 E CB 0.620 30.377 29.700 0.095 0.000 1.025 672 E HN 0.366 nan 8.360 nan 0.000 0.438 673 S N 0.941 116.687 115.700 0.076 0.000 2.549 673 S HA 0.074 4.544 4.470 0.001 0.000 0.283 673 S C 0.359 175.010 174.600 0.085 0.000 1.320 673 S CA -0.301 57.943 58.200 0.073 0.000 1.058 673 S CB 0.129 63.365 63.200 0.061 0.000 0.882 673 S HN 0.437 nan 8.310 nan 0.000 0.498 674 L N 3.342 124.617 121.223 0.087 0.000 2.910 674 L HA 0.321 4.661 4.340 0.001 0.000 0.252 674 L C 0.052 176.970 176.870 0.080 0.000 1.195 674 L CA -0.196 54.702 54.840 0.096 0.000 1.003 674 L CB 0.235 42.360 42.059 0.110 0.000 1.328 674 L HN 0.599 nan 8.230 nan 0.000 0.540 675 D N 0.764 121.205 120.400 0.068 0.000 2.325 675 D HA 0.030 4.670 4.640 0.001 0.000 0.251 675 D C 0.716 177.046 176.300 0.051 0.000 1.196 675 D CA 0.037 54.072 54.000 0.057 0.000 0.866 675 D CB 0.427 41.257 40.800 0.050 0.000 1.101 675 D HN 0.044 nan 8.370 nan 0.000 0.476 676 N N 2.218 120.946 118.700 0.048 0.000 2.705 676 N HA -0.237 4.503 4.740 0.001 0.000 0.255 676 N C -1.557 173.978 175.510 0.042 0.000 1.008 676 N CA 1.347 54.421 53.050 0.040 0.000 0.742 676 N CB -0.799 37.706 38.487 0.031 0.000 0.906 676 N HN 0.417 nan 8.380 nan 0.000 0.541 677 T N -0.833 113.753 114.554 0.054 0.000 2.868 677 T HA 0.236 4.587 4.350 0.001 0.000 0.306 677 T C -1.559 173.186 174.700 0.074 0.000 1.224 677 T CA -0.739 61.397 62.100 0.061 0.000 1.012 677 T CB 1.155 70.065 68.868 0.071 0.000 1.221 677 T HN 0.157 nan 8.240 nan 0.000 0.499 678 D N 1.943 122.389 120.400 0.077 0.000 2.426 678 D HA 0.411 5.051 4.640 0.001 0.000 0.261 678 D C -0.034 176.356 176.300 0.151 0.000 1.245 678 D CA 0.316 54.368 54.000 0.087 0.000 0.917 678 D CB 0.331 41.170 40.800 0.064 0.000 1.123 678 D HN 0.743 nan 8.370 nan 0.000 0.508 679 A N 3.185 126.088 122.820 0.138 0.000 2.311 679 A HA 0.671 4.992 4.320 0.001 0.000 0.334 679 A C -0.740 176.949 177.584 0.175 0.000 1.139 679 A CA -0.669 51.471 52.037 0.171 0.000 0.830 679 A CB 1.571 20.660 19.000 0.149 0.000 1.234 679 A HN 0.362 nan 8.150 nan 0.000 0.483 680 V N 1.363 121.398 119.914 0.202 0.000 2.531 680 V HA 0.431 4.551 4.120 0.001 0.000 0.301 680 V C -0.454 175.694 176.094 0.090 0.000 1.034 680 V CA -0.495 61.862 62.300 0.095 0.000 0.865 680 V CB 1.592 33.464 31.823 0.082 0.000 0.995 680 V HN 0.673 nan 8.190 nan 0.000 0.424 681 V N 3.837 123.727 119.914 -0.040 0.000 2.532 681 V HA 0.520 4.640 4.120 0.001 0.000 0.295 681 V C -1.121 174.968 176.094 -0.009 0.000 1.041 681 V CA -0.517 61.841 62.300 0.097 0.000 0.926 681 V CB 1.847 33.726 31.823 0.094 0.000 0.992 681 V HN 0.918 nan 8.190 nan 0.000 0.457 682 W N 4.597 126.031 121.300 0.222 0.000 2.554 682 W HA 0.701 5.361 4.660 0.001 0.000 0.324 682 W C -0.311 176.390 176.519 0.303 0.000 1.018 682 W CA -0.563 56.920 57.345 0.230 0.000 1.243 682 W CB 1.262 30.824 29.460 0.169 0.000 1.345 682 W HN 0.257 nan 8.180 nan 0.000 0.441 683 M N 3.310 123.182 119.600 0.453 0.000 2.149 683 M HA 0.416 4.896 4.480 0.001 0.000 0.342 683 M C -0.187 176.393 176.300 0.466 0.000 1.068 683 M CA -0.251 55.289 55.300 0.400 0.000 0.991 683 M CB 1.585 34.344 32.600 0.265 0.000 1.596 683 M HN 0.219 nan 8.290 nan 0.000 0.439 684 T N 1.659 116.486 114.554 0.455 0.000 2.795 684 T HA 0.501 4.852 4.350 0.001 0.000 0.282 684 T C -0.345 174.581 174.700 0.376 0.000 0.980 684 T CA -0.328 62.035 62.100 0.439 0.000 1.012 684 T CB 1.459 70.609 68.868 0.471 0.000 0.936 684 T HN 0.663 nan 8.240 nan 0.000 0.457 685 T N 1.723 116.515 114.554 0.397 0.000 2.993 685 T HA 0.706 5.056 4.350 0.001 0.000 0.312 685 T C -0.577 174.352 174.700 0.382 0.000 1.115 685 T CA -0.411 61.920 62.100 0.386 0.000 1.027 685 T CB 1.145 70.267 68.868 0.423 0.000 1.116 685 T HN 0.845 nan 8.240 nan 0.000 0.464 686 G N 1.716 110.683 108.800 0.280 0.000 2.695 686 G HA2 0.720 4.680 3.960 0.001 0.000 0.290 686 G HA3 0.720 4.680 3.960 0.001 0.000 0.290 686 G C -0.530 174.489 174.900 0.198 0.000 1.410 686 G CA -0.403 44.828 45.100 0.219 0.000 0.844 686 G HN 0.923 nan 8.290 nan 0.000 0.478 687 T N -2.680 111.994 114.554 0.199 0.000 2.927 687 T HA 0.767 5.118 4.350 0.001 0.000 0.286 687 T C -0.524 174.222 174.700 0.077 0.000 1.040 687 T CA -0.706 61.498 62.100 0.172 0.000 1.010 687 T CB 2.110 71.140 68.868 0.269 0.000 1.177 687 T HN 0.431 nan 8.240 nan 0.000 0.546 688 T N 1.092 115.650 114.554 0.007 0.000 2.847 688 T HA 0.340 4.690 4.350 0.001 0.000 0.291 688 T C -1.191 173.416 174.700 -0.155 0.000 0.998 688 T CA -0.482 61.567 62.100 -0.085 0.000 0.967 688 T CB 0.210 69.032 68.868 -0.077 0.000 0.954 688 T HN 0.812 nan 8.240 nan 0.000 0.441 689 H N 3.810 122.615 119.070 -0.441 0.000 2.690 689 H HA 0.560 5.117 4.556 0.001 0.000 0.280 689 H C -0.776 174.271 175.328 -0.470 0.000 1.138 689 H CA -0.696 54.988 56.048 -0.606 0.000 1.241 689 H CB 0.380 29.731 29.762 -0.684 0.000 1.394 689 H HN 0.283 nan 8.280 nan 0.000 0.489 690 V N 4.694 124.547 119.914 -0.102 0.000 2.407 690 V HA 0.387 4.508 4.120 0.001 0.000 0.278 690 V C 0.613 176.713 176.094 0.011 0.000 1.037 690 V CA -0.444 61.799 62.300 -0.095 0.000 0.900 690 V CB 0.841 32.619 31.823 -0.074 0.000 0.983 690 V HN 0.865 nan 8.190 nan 0.000 0.459 691 A N 6.432 129.211 122.820 -0.068 0.000 2.246 691 A HA 0.957 5.278 4.320 0.001 0.000 0.291 691 A C 0.162 177.782 177.584 0.061 0.000 1.103 691 A CA -0.539 51.513 52.037 0.025 0.000 0.844 691 A CB 0.799 19.745 19.000 -0.091 0.000 1.136 691 A HN 0.982 nan 8.150 nan 0.000 0.500 692 R N -1.659 118.908 120.500 0.111 0.000 2.734 692 R HA 0.637 4.977 4.340 0.001 0.000 0.271 692 R C 0.386 176.745 176.300 0.098 0.000 1.021 692 R CA -0.118 56.026 56.100 0.074 0.000 0.893 692 R CB 1.093 31.439 30.300 0.077 0.000 1.244 692 R HN 0.789 nan 8.270 nan 0.000 0.464 693 A N 1.079 123.943 122.820 0.073 0.000 1.978 693 A HA -0.186 4.135 4.320 0.001 0.000 0.220 693 A C 1.521 179.190 177.584 0.142 0.000 1.170 693 A CA 1.942 54.043 52.037 0.106 0.000 0.636 693 A CB -0.665 18.373 19.000 0.064 0.000 0.810 693 A HN 0.847 nan 8.150 nan 0.000 0.448 694 E N 0.286 120.550 120.200 0.107 0.000 2.273 694 E HA -0.169 4.182 4.350 0.001 0.000 0.198 694 E C 1.248 177.916 176.600 0.113 0.000 1.002 694 E CA 1.405 57.861 56.400 0.094 0.000 0.828 694 E CB -0.162 29.582 29.700 0.073 0.000 0.747 694 E HN 0.809 nan 8.360 nan 0.000 0.491 695 E N -0.976 119.325 120.200 0.168 0.000 2.444 695 E HA 0.047 4.398 4.350 0.001 0.000 0.191 695 E C -0.375 176.386 176.600 0.267 0.000 1.041 695 E CA -0.272 56.241 56.400 0.189 0.000 0.883 695 E CB 0.368 30.221 29.700 0.255 0.000 1.024 695 E HN 0.205 nan 8.360 nan 0.000 0.470 696 W N 1.856 123.163 121.300 0.012 0.000 2.883 696 W HA 0.258 4.918 4.660 0.001 0.000 0.335 696 W C -2.462 174.064 176.519 0.011 0.000 1.083 696 W CA -2.198 55.149 57.345 0.004 0.000 1.233 696 W CB 1.832 31.295 29.460 0.006 0.000 1.412 696 W HN -0.130 nan 8.180 nan 0.000 0.490 697 P HA 0.128 nan 4.420 nan 0.000 0.241 697 P C -0.101 176.814 177.300 -0.642 0.000 1.191 697 P CA 0.757 63.060 63.100 -1.328 0.000 0.771 697 P CB 1.309 32.436 31.700 -0.954 0.000 0.929 698 I N -0.518 119.871 120.570 -0.302 0.000 2.656 698 I HA 0.315 4.486 4.170 0.001 0.000 0.292 698 I C -0.953 175.088 176.117 -0.126 0.000 1.144 698 I CA -1.579 59.565 61.300 -0.261 0.000 1.038 698 I CB 2.238 40.075 38.000 -0.273 0.000 1.244 698 I HN -0.333 nan 8.210 nan 0.000 0.420 699 M N 8.868 128.395 119.600 -0.122 0.000 2.120 699 M HA 0.384 4.865 4.480 0.001 0.000 0.354 699 M C -2.361 173.871 176.300 -0.115 0.000 1.287 699 M CA -1.533 53.733 55.300 -0.056 0.000 1.103 699 M CB 0.293 32.885 32.600 -0.014 0.000 1.623 699 M HN 0.257 nan 8.290 nan 0.000 0.471 700 P HA 0.017 nan 4.420 nan 0.000 0.265 700 P C -0.587 176.610 177.300 -0.172 0.000 1.193 700 P CA -0.004 63.036 63.100 -0.100 0.000 0.765 700 P CB 0.224 31.892 31.700 -0.054 0.000 0.823 701 T N 3.911 118.346 114.554 -0.199 0.000 2.831 701 T HA 0.046 4.396 4.350 0.001 0.000 0.291 701 T C 0.277 174.750 174.700 -0.377 0.000 0.981 701 T CA 0.163 62.054 62.100 -0.348 0.000 1.174 701 T CB -0.176 68.500 68.868 -0.321 0.000 0.929 701 T HN 0.332 nan 8.240 nan 0.000 0.532 702 E N 2.312 122.188 120.200 -0.540 0.000 2.191 702 E HA 0.342 4.693 4.350 0.001 0.000 0.274 702 E C -0.872 175.373 176.600 -0.592 0.000 0.948 702 E CA -0.495 55.591 56.400 -0.523 0.000 0.802 702 E CB 1.759 30.961 29.700 -0.830 0.000 1.137 702 E HN 0.625 nan 8.360 nan 0.000 0.397 703 W N 1.375 122.486 121.300 -0.316 0.000 2.702 703 W HA 0.413 5.074 4.660 0.001 0.000 0.331 703 W C -0.275 175.990 176.519 -0.423 0.000 1.049 703 W CA -0.788 56.342 57.345 -0.358 0.000 1.230 703 W CB 1.669 30.927 29.460 -0.336 0.000 1.408 703 W HN 0.239 nan 8.180 nan 0.000 0.492 704 V N -0.053 119.758 119.914 -0.172 0.000 2.919 704 V HA 0.628 4.749 4.120 0.001 0.000 0.316 704 V C -0.753 175.113 176.094 -0.379 0.000 1.077 704 V CA -0.828 61.339 62.300 -0.223 0.000 0.977 704 V CB 1.848 33.698 31.823 0.045 0.000 1.039 704 V HN 0.582 nan 8.190 nan 0.000 0.441 705 H N 1.993 121.064 119.070 0.002 0.000 2.600 705 H HA 0.732 5.289 4.556 0.001 0.000 0.357 705 H C -0.199 175.064 175.328 -0.109 0.000 1.106 705 H CA 0.060 56.054 56.048 -0.090 0.000 1.193 705 H CB 2.167 31.850 29.762 -0.131 0.000 1.594 705 H HN 1.061 nan 8.280 nan 0.000 0.526 706 T N 0.139 114.659 114.554 -0.057 0.000 2.926 706 T HA 0.666 5.017 4.350 0.001 0.000 0.289 706 T C -0.724 173.878 174.700 -0.163 0.000 1.054 706 T CA -0.844 61.190 62.100 -0.111 0.000 1.015 706 T CB 1.862 70.628 68.868 -0.171 0.000 1.167 706 T HN 0.205 nan 8.240 nan 0.000 0.526 707 L N 0.499 121.632 121.223 -0.150 0.000 2.466 707 L HA 0.675 5.015 4.340 0.001 0.000 0.258 707 L C -1.581 175.227 176.870 -0.102 0.000 0.973 707 L CA -0.832 53.921 54.840 -0.146 0.000 0.826 707 L CB 2.226 44.217 42.059 -0.114 0.000 1.372 707 L HN 0.789 nan 8.230 nan 0.000 0.409 708 L N 3.485 124.667 121.223 -0.068 0.000 2.376 708 L HA 0.590 4.931 4.340 0.001 0.000 0.275 708 L C -0.770 176.188 176.870 0.146 0.000 0.987 708 L CA -0.684 54.203 54.840 0.079 0.000 0.828 708 L CB 1.737 43.858 42.059 0.102 0.000 1.249 708 L HN 0.482 nan 8.230 nan 0.000 0.409 709 K N 4.302 124.746 120.400 0.073 0.000 2.345 709 K HA 0.448 4.768 4.320 0.001 0.000 0.255 709 K C -2.628 173.647 176.600 -0.541 0.000 0.934 709 K CA -1.863 54.344 56.287 -0.133 0.000 0.801 709 K CB 2.236 34.713 32.500 -0.037 0.000 1.137 709 K HN 0.239 nan 8.250 nan 0.000 0.424 710 P HA -0.132 nan 4.420 nan 0.000 0.260 710 P C -0.911 176.231 177.300 -0.262 0.000 1.185 710 P CA 0.163 62.623 63.100 -1.065 0.000 0.763 710 P CB 0.440 31.861 31.700 -0.466 0.000 0.776 711 W N 6.108 127.242 121.300 -0.275 0.000 2.413 711 W HA 0.162 4.822 4.660 0.001 0.000 0.308 711 W C -0.307 176.199 176.519 -0.022 0.000 0.997 711 W CA -0.402 56.884 57.345 -0.099 0.000 1.447 711 W CB 0.041 29.459 29.460 -0.070 0.000 1.263 711 W HN 0.502 nan 8.180 nan 0.000 0.416 712 N N 3.373 121.981 118.700 -0.153 0.000 2.714 712 N HA -0.331 4.409 4.740 0.001 0.000 0.250 712 N C 0.315 175.838 175.510 0.022 0.000 1.117 712 N CA 1.492 54.511 53.050 -0.053 0.000 0.719 712 N CB -1.982 36.513 38.487 0.014 0.000 1.081 712 N HN 0.559 nan 8.380 nan 0.000 0.557 713 F N -0.581 119.262 119.950 -0.177 0.000 2.558 713 F HA 0.204 4.732 4.527 0.001 0.000 0.298 713 F C 0.490 175.959 175.800 -0.551 0.000 1.119 713 F CA 0.575 58.355 58.000 -0.366 0.000 1.451 713 F CB 0.231 38.919 39.000 -0.519 0.000 1.091 713 F HN -0.022 nan 8.300 nan 0.000 0.563 714 F N -0.415 119.552 119.950 0.029 0.000 2.654 714 F HA 0.291 4.818 4.527 0.001 0.000 0.334 714 F C 1.015 176.774 175.800 -0.070 0.000 1.078 714 F CA -1.049 56.931 58.000 -0.032 0.000 0.986 714 F CB 0.597 39.582 39.000 -0.026 0.000 1.362 714 F HN -0.367 nan 8.300 nan 0.000 0.498 715 D N -0.226 120.267 120.400 0.156 0.000 2.379 715 D HA 0.075 4.716 4.640 0.001 0.000 0.208 715 D C 0.023 176.331 176.300 0.013 0.000 1.065 715 D CA 0.597 54.623 54.000 0.043 0.000 0.848 715 D CB 0.608 41.421 40.800 0.021 0.000 0.949 715 D HN 0.729 nan 8.370 nan 0.000 0.509 716 E N -1.289 118.925 120.200 0.023 0.000 2.435 716 E HA 0.158 4.509 4.350 0.001 0.000 0.277 716 E C -1.188 175.370 176.600 -0.071 0.000 1.106 716 E CA -0.747 55.630 56.400 -0.038 0.000 0.868 716 E CB 0.292 29.966 29.700 -0.045 0.000 1.454 716 E HN -0.311 nan 8.360 nan 0.000 0.452 717 T N 3.160 117.655 114.554 -0.099 0.000 2.642 717 T HA 0.010 4.361 4.350 0.001 0.000 0.258 717 T C -1.814 172.812 174.700 -0.124 0.000 1.022 717 T CA -0.264 61.772 62.100 -0.108 0.000 1.266 717 T CB -0.140 68.644 68.868 -0.139 0.000 0.987 717 T HN 0.310 nan 8.240 nan 0.000 0.518 718 P HA -0.098 nan 4.420 nan 0.000 0.217 718 P C 1.426 178.611 177.300 -0.192 0.000 1.148 718 P CA 1.028 63.882 63.100 -0.409 0.000 0.828 718 P CB -0.048 31.257 31.700 -0.658 0.000 0.783 719 T N -4.611 109.915 114.554 -0.046 0.000 3.223 719 T HA 0.235 4.585 4.350 0.001 0.000 0.259 719 T C 1.372 176.131 174.700 0.099 0.000 1.015 719 T CA -0.206 61.906 62.100 0.020 0.000 0.908 719 T CB -0.917 67.977 68.868 0.043 0.000 1.054 719 T HN -0.005 nan 8.240 nan 0.000 0.567 720 L N 1.080 122.341 121.223 0.063 0.000 2.201 720 L HA 0.275 4.615 4.340 0.001 0.000 0.212 720 L C 1.511 178.409 176.870 0.047 0.000 1.105 720 L CA 1.066 55.952 54.840 0.077 0.000 0.775 720 L CB -0.669 41.386 42.059 -0.007 0.000 0.913 720 L HN 0.785 nan 8.230 nan 0.000 0.440 721 G N -1.379 107.426 108.800 0.009 0.000 2.570 721 G HA2 0.025 3.986 3.960 0.001 0.000 0.686 721 G HA3 0.025 3.986 3.960 0.001 0.000 0.686 721 G C -0.412 174.481 174.900 -0.011 0.000 1.257 721 G CA -0.683 44.414 45.100 -0.004 0.000 0.846 721 G HN 0.337 nan 8.290 nan 0.000 0.627 722 A N -0.113 122.698 122.820 -0.015 0.000 2.546 722 A HA 0.493 4.813 4.320 0.001 0.000 0.243 722 A C 0.596 178.175 177.584 -0.009 0.000 1.063 722 A CA 0.629 52.659 52.037 -0.013 0.000 0.757 722 A CB 0.532 19.523 19.000 -0.015 0.000 0.991 722 A HN 2.064 nan 8.150 nan 0.000 0.503 723 L N 3.168 124.386 121.223 -0.008 0.000 2.319 723 L HA 0.290 4.631 4.340 0.001 0.000 0.280 723 L C 1.167 178.033 176.870 -0.007 0.000 1.099 723 L CA 0.283 55.118 54.840 -0.008 0.000 0.828 723 L CB 0.746 42.801 42.059 -0.007 0.000 1.150 723 L HN 0.700 nan 8.230 nan 0.000 0.442 724 K N 3.961 124.356 120.400 -0.007 0.000 3.101 724 K HA 0.282 4.603 4.320 0.001 0.000 0.229 724 K C -0.633 175.963 176.600 -0.007 0.000 1.232 724 K CA -0.230 56.053 56.287 -0.007 0.000 1.210 724 K CB 0.044 32.540 32.500 -0.006 0.000 1.284 724 K HN 0.429 nan 8.250 nan 0.000 0.448 725 K N 1.316 121.711 120.400 -0.007 0.000 3.439 725 K HA 0.169 4.490 4.320 0.001 0.000 0.170 725 K C -1.097 175.498 176.600 -0.008 0.000 1.035 725 K CA 0.305 56.587 56.287 -0.008 0.000 0.794 725 K CB 0.980 33.475 32.500 -0.008 0.000 0.795 725 K HN 0.548 nan 8.250 nan 0.000 0.519 726 D N 0.000 120.396 120.400 -0.007 0.000 6.856 726 D HA 0.000 4.641 4.640 0.001 0.000 0.175 726 D CA 0.000 nan 54.000 nan 0.000 0.868 726 D CB 0.000 nan 40.800 nan 0.000 0.688 726 D HN 0.000 nan 8.370 nan 0.000 0.683