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 1jrq_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 IVPFGDPDIG 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 0.000 175.347 175.328 0.032 0.000 0.993 6 H CA 0.000 56.049 56.048 0.001 0.000 1.023 6 H CB 0.000 29.765 29.762 0.006 0.000 1.292 7 M N 1.438 121.134 119.600 0.161 0.000 2.819 7 M HA 0.577 5.057 4.480 0.001 0.000 0.300 7 M C -0.939 175.533 176.300 0.287 0.000 1.237 7 M CA -1.185 54.227 55.300 0.186 0.000 0.813 7 M CB 2.683 35.385 32.600 0.171 0.000 1.755 7 M HN 0.282 nan 8.290 nan 0.000 0.484 8 V N 1.702 121.782 119.914 0.276 0.000 2.962 8 V HA 0.581 4.702 4.120 0.001 0.000 0.313 8 V C -2.488 173.560 176.094 -0.077 0.000 1.099 8 V CA -2.192 60.215 62.300 0.178 0.000 0.971 8 V CB 2.762 34.615 31.823 0.050 0.000 1.028 8 V HN 0.582 nan 8.190 nan 0.000 0.430 9 P HA 0.066 nan 4.420 nan 0.000 0.262 9 P C 0.675 177.648 177.300 -0.546 0.000 1.199 9 P CA 0.413 62.918 63.100 -0.991 0.000 0.763 9 P CB 0.616 31.778 31.700 -0.897 0.000 0.790 10 M N 3.201 122.466 119.600 -0.558 0.000 2.065 10 M HA -0.255 4.226 4.480 0.001 0.000 0.259 10 M C 1.039 177.133 176.300 -0.343 0.000 1.071 10 M CA 2.265 57.291 55.300 -0.457 0.000 1.109 10 M CB -0.460 31.787 32.600 -0.589 0.000 1.313 10 M HN 0.211 nan 8.290 nan 0.000 0.408 11 D N 0.057 120.265 120.400 -0.320 0.000 2.103 11 D HA -0.225 4.416 4.640 0.001 0.000 0.190 11 D C 1.891 178.106 176.300 -0.143 0.000 0.997 11 D CA 1.790 55.674 54.000 -0.192 0.000 0.833 11 D CB -0.194 40.515 40.800 -0.152 0.000 0.961 11 D HN 0.310 nan 8.370 nan 0.000 0.447 12 K N -0.164 120.133 120.400 -0.170 0.000 2.001 12 K HA -0.193 4.127 4.320 0.001 0.000 0.214 12 K C 1.972 178.520 176.600 -0.087 0.000 1.050 12 K CA 2.045 58.259 56.287 -0.121 0.000 0.934 12 K CB -0.306 32.107 32.500 -0.146 0.000 0.718 12 K HN 0.132 nan 8.250 nan 0.000 0.443 13 T N 2.179 116.667 114.554 -0.110 0.000 2.665 13 T HA -0.174 4.177 4.350 0.001 0.000 0.268 13 T C 1.933 176.632 174.700 -0.002 0.000 1.035 13 T CA 1.624 63.688 62.100 -0.060 0.000 1.151 13 T CB -0.267 68.547 68.868 -0.090 0.000 0.862 13 T HN 0.179 nan 8.240 nan 0.000 0.438 14 L N -0.032 121.180 121.223 -0.018 0.000 2.046 14 L HA -0.114 4.226 4.340 0.001 0.000 0.208 14 L C 2.726 179.645 176.870 0.081 0.000 1.077 14 L CA 1.204 56.086 54.840 0.070 0.000 0.747 14 L CB -0.367 41.717 42.059 0.041 0.000 0.896 14 L HN 0.117 nan 8.230 nan 0.000 0.432 15 K N 0.034 120.443 120.400 0.016 0.000 2.026 15 K HA -0.155 4.166 4.320 0.001 0.000 0.208 15 K C 2.049 178.652 176.600 0.004 0.000 1.048 15 K CA 1.153 57.440 56.287 -0.000 0.000 0.929 15 K CB -0.295 32.194 32.500 -0.018 0.000 0.713 15 K HN 0.213 nan 8.250 nan 0.000 0.439 16 E N -0.084 120.127 120.200 0.019 0.000 2.070 16 E HA -0.234 4.117 4.350 0.001 0.000 0.197 16 E C 1.960 178.594 176.600 0.056 0.000 1.004 16 E CA 1.134 57.550 56.400 0.027 0.000 0.805 16 E CB -0.570 29.148 29.700 0.030 0.000 0.744 16 E HN 0.316 nan 8.360 nan 0.000 0.451 17 F N 0.916 120.814 119.950 -0.087 0.000 2.333 17 F HA -0.014 4.513 4.527 0.001 0.000 0.300 17 F C 1.516 177.233 175.800 -0.138 0.000 1.083 17 F CA 1.695 59.622 58.000 -0.121 0.000 1.395 17 F CB -0.046 38.855 39.000 -0.166 0.000 1.056 17 F HN 0.191 nan 8.300 nan 0.000 0.529 18 G N -0.237 108.434 108.800 -0.215 0.000 2.159 18 G HA2 -0.038 3.923 3.960 0.001 0.000 0.227 18 G HA3 -0.038 3.923 3.960 0.001 0.000 0.227 18 G C 0.269 175.000 174.900 -0.282 0.000 0.986 18 G CA 0.027 44.956 45.100 -0.285 0.000 0.651 18 G HN 0.850 nan 8.290 nan 0.000 0.523 19 A N -0.211 122.484 122.820 -0.209 0.000 2.293 19 A HA 0.665 4.986 4.320 0.001 0.000 0.302 19 A C 0.002 177.585 177.584 -0.003 0.000 1.119 19 A CA 0.353 52.324 52.037 -0.110 0.000 0.823 19 A CB 0.771 19.749 19.000 -0.037 0.000 1.097 19 A HN 0.490 nan 8.150 nan 0.000 0.491 20 D N 0.568 120.989 120.400 0.034 0.000 2.256 20 D HA 0.438 5.079 4.640 0.001 0.000 0.250 20 D C -0.784 175.572 176.300 0.094 0.000 1.093 20 D CA 0.211 54.243 54.000 0.053 0.000 0.882 20 D CB 1.022 41.855 40.800 0.054 0.000 1.185 20 D HN 0.176 nan 8.370 nan 0.000 0.437 21 V N 4.777 124.752 119.914 0.101 0.000 2.409 21 V HA 0.374 4.495 4.120 0.001 0.000 0.291 21 V C -0.357 175.861 176.094 0.206 0.000 1.020 21 V CA -0.785 61.607 62.300 0.155 0.000 0.848 21 V CB 1.411 33.303 31.823 0.116 0.000 0.990 21 V HN 0.530 nan 8.190 nan 0.000 0.430 22 Q N 4.070 124.029 119.800 0.264 0.000 2.321 22 Q HA 0.337 4.677 4.340 0.001 0.000 0.270 22 Q C -1.223 174.982 176.000 0.342 0.000 1.032 22 Q CA -0.303 55.645 55.803 0.243 0.000 0.784 22 Q CB 3.269 32.087 28.738 0.132 0.000 1.264 22 Q HN 0.915 nan 8.270 nan 0.000 0.448 23 W N 4.295 125.625 121.300 0.049 0.000 2.475 23 W HA 0.315 4.976 4.660 0.001 0.000 0.317 23 W C -1.284 175.151 176.519 -0.139 0.000 1.046 23 W CA -0.486 56.746 57.345 -0.188 0.000 1.215 23 W CB 1.444 30.762 29.460 -0.236 0.000 1.335 23 W HN 0.534 nan 8.180 nan 0.000 0.471 24 D N 4.523 124.303 120.400 -1.034 0.000 2.460 24 D HA 0.049 4.689 4.640 0.001 0.000 0.232 24 D C 0.511 176.034 176.300 -1.295 0.000 1.079 24 D CA -0.034 53.475 54.000 -0.818 0.000 0.864 24 D CB 1.238 41.776 40.800 -0.437 0.000 1.048 24 D HN 0.483 nan 8.370 nan 0.000 0.523 25 D N 2.276 122.123 120.400 -0.921 0.000 2.144 25 D HA -0.236 4.405 4.640 0.001 0.000 0.199 25 D C 1.471 177.623 176.300 -0.247 0.000 0.984 25 D CA 1.087 54.795 54.000 -0.487 0.000 0.834 25 D CB 0.049 40.831 40.800 -0.030 0.000 0.955 25 D HN 0.510 nan 8.370 nan 0.000 0.465 26 Y N 0.510 120.637 120.300 -0.289 0.000 2.184 26 Y HA 0.038 4.588 4.550 0.001 0.000 0.290 26 Y C 1.971 177.750 175.900 -0.202 0.000 1.129 26 Y CA 1.733 59.724 58.100 -0.182 0.000 1.144 26 Y CB -0.450 37.926 38.460 -0.140 0.000 0.995 26 Y HN -0.005 nan 8.280 nan 0.000 0.513 27 A N -0.666 121.996 122.820 -0.263 0.000 2.208 27 A HA 0.033 4.354 4.320 0.001 0.000 0.209 27 A C 0.709 178.076 177.584 -0.362 0.000 1.161 27 A CA 0.637 52.482 52.037 -0.319 0.000 0.782 27 A CB -0.224 18.668 19.000 -0.179 0.000 0.816 27 A HN 0.534 nan 8.150 nan 0.000 0.477 28 Q N -2.134 117.346 119.800 -0.533 0.000 2.463 28 Q HA -0.203 4.138 4.340 0.001 0.000 0.299 28 Q C -0.765 174.982 176.000 -0.423 0.000 1.353 28 Q CA 0.973 56.491 55.803 -0.476 0.000 0.828 28 Q CB -2.047 26.631 28.738 -0.099 0.000 1.157 28 Q HN 0.591 nan 8.270 nan 0.000 0.436 29 L N -0.426 120.361 121.223 -0.727 0.000 2.422 29 L HA 0.700 5.040 4.340 0.001 0.000 0.264 29 L C -1.078 175.635 176.870 -0.261 0.000 0.984 29 L CA -0.573 54.085 54.840 -0.303 0.000 0.819 29 L CB 1.404 43.360 42.059 -0.173 0.000 1.330 29 L HN -0.002 nan 8.230 nan 0.000 0.410 30 F N 1.865 121.918 119.950 0.172 0.000 2.422 30 F HA 0.639 5.166 4.527 0.001 0.000 0.333 30 F C 0.327 176.183 175.800 0.093 0.000 1.095 30 F CA -0.275 57.865 58.000 0.233 0.000 1.038 30 F CB 2.204 41.365 39.000 0.268 0.000 1.156 30 F HN 0.334 nan 8.300 nan 0.000 0.483 31 T N 5.306 120.021 114.554 0.269 0.000 2.815 31 T HA 0.599 4.950 4.350 0.001 0.000 0.289 31 T C -0.618 174.122 174.700 0.067 0.000 1.000 31 T CA -0.533 61.598 62.100 0.051 0.000 0.958 31 T CB 0.423 69.268 68.868 -0.039 0.000 0.944 31 T HN 0.279 nan 8.240 nan 0.000 0.442 32 L N 4.595 125.832 121.223 0.024 0.000 2.341 32 L HA 0.703 5.044 4.340 0.001 0.000 0.278 32 L C -0.551 176.370 176.870 0.085 0.000 1.005 32 L CA -0.972 53.953 54.840 0.141 0.000 0.818 32 L CB 1.608 43.863 42.059 0.327 0.000 1.259 32 L HN 0.482 nan 8.230 nan 0.000 0.418 33 I N 3.043 123.693 120.570 0.133 0.000 2.545 33 I HA 0.493 4.664 4.170 0.001 0.000 0.292 33 I C -0.535 175.690 176.117 0.179 0.000 1.040 33 I CA -0.634 60.755 61.300 0.147 0.000 1.068 33 I CB 2.372 40.431 38.000 0.099 0.000 1.251 33 I HN 0.555 nan 8.210 nan 0.000 0.424 34 K N 5.490 126.025 120.400 0.226 0.000 2.670 34 K HA 0.207 4.528 4.320 0.001 0.000 0.274 34 K C -1.193 175.503 176.600 0.160 0.000 1.068 34 K CA -0.374 55.971 56.287 0.097 0.000 0.967 34 K CB 0.832 33.267 32.500 -0.107 0.000 1.297 34 K HN 0.767 nan 8.250 nan 0.000 0.477 35 D N 1.444 121.922 120.400 0.129 0.000 3.528 35 D HA -0.242 4.399 4.640 0.001 0.000 0.163 35 D C 0.915 177.348 176.300 0.222 0.000 1.069 35 D CA 1.945 56.059 54.000 0.191 0.000 1.082 35 D CB -0.859 40.075 40.800 0.223 0.000 0.538 35 D HN 0.737 nan 8.370 nan 0.000 0.579 36 G N 0.302 109.250 108.800 0.246 0.000 2.776 36 G HA2 0.327 4.288 3.960 0.001 0.000 0.209 36 G HA3 0.327 4.288 3.960 0.001 0.000 0.209 36 G C 0.361 175.380 174.900 0.198 0.000 1.145 36 G CA 1.054 46.259 45.100 0.175 0.000 0.791 36 G HN 0.634 nan 8.290 nan 0.000 0.530 37 A N 0.087 123.065 122.820 0.264 0.000 2.260 37 A HA 0.618 4.939 4.320 0.001 0.000 0.308 37 A C -1.514 176.243 177.584 0.290 0.000 1.254 37 A CA -0.673 51.524 52.037 0.266 0.000 0.874 37 A CB 0.568 19.782 19.000 0.357 0.000 1.153 37 A HN 0.280 nan 8.150 nan 0.000 0.527 38 Y N 3.376 123.739 120.300 0.105 0.000 2.376 38 Y HA 0.525 5.076 4.550 0.001 0.000 0.326 38 Y C -0.904 175.031 175.900 0.059 0.000 0.970 38 Y CA -0.537 57.622 58.100 0.099 0.000 1.248 38 Y CB 1.319 39.824 38.460 0.074 0.000 1.117 38 Y HN 0.460 nan 8.280 nan 0.000 0.476 39 V N 5.981 125.813 119.914 -0.136 0.000 2.628 39 V HA 0.531 4.652 4.120 0.001 0.000 0.306 39 V C -0.747 175.300 176.094 -0.078 0.000 1.045 39 V CA -1.201 61.044 62.300 -0.091 0.000 0.905 39 V CB 1.943 33.673 31.823 -0.154 0.000 0.997 39 V HN 0.575 nan 8.190 nan 0.000 0.436 40 K N 2.531 122.943 120.400 0.020 0.000 2.345 40 K HA 0.799 5.120 4.320 0.001 0.000 0.255 40 K C -1.663 175.008 176.600 0.119 0.000 0.934 40 K CA -0.670 55.663 56.287 0.077 0.000 0.801 40 K CB 2.626 35.181 32.500 0.093 0.000 1.137 40 K HN 0.441 nan 8.250 nan 0.000 0.424 41 V N 3.280 123.313 119.914 0.199 0.000 2.777 41 V HA 0.346 4.466 4.120 0.001 0.000 0.306 41 V C -1.674 174.601 176.094 0.301 0.000 1.112 41 V CA -0.756 61.685 62.300 0.237 0.000 0.917 41 V CB 1.877 33.870 31.823 0.283 0.000 1.018 41 V HN 0.665 nan 8.190 nan 0.000 0.426 42 K N 7.057 127.592 120.400 0.226 0.000 2.159 42 K HA 0.583 4.904 4.320 0.001 0.000 0.266 42 K C -2.690 174.057 176.600 0.245 0.000 0.975 42 K CA -1.819 54.601 56.287 0.222 0.000 0.865 42 K CB 1.712 34.284 32.500 0.119 0.000 1.087 42 K HN 0.445 nan 8.250 nan 0.000 0.446 43 P HA -0.078 nan 4.420 nan 0.000 0.265 43 P C 0.694 178.084 177.300 0.151 0.000 1.187 43 P CA 0.786 64.027 63.100 0.235 0.000 0.766 43 P CB 0.523 32.367 31.700 0.239 0.000 0.820 44 G N 1.367 110.238 108.800 0.118 0.000 2.257 44 G HA2 -0.265 3.696 3.960 0.001 0.000 0.267 44 G HA3 -0.265 3.696 3.960 0.001 0.000 0.267 44 G C 0.499 175.447 174.900 0.080 0.000 0.984 44 G CA 0.181 45.332 45.100 0.085 0.000 0.626 44 G HN 0.886 nan 8.290 nan 0.000 0.540 45 A N -0.029 122.849 122.820 0.096 0.000 2.425 45 A HA 0.616 4.936 4.320 0.001 0.000 0.249 45 A C 1.222 178.852 177.584 0.077 0.000 1.084 45 A CA 0.545 52.631 52.037 0.081 0.000 0.781 45 A CB 0.348 19.400 19.000 0.088 0.000 1.019 45 A HN 0.298 nan 8.150 nan 0.000 0.490 46 Q N 0.144 119.979 119.800 0.057 0.000 2.444 46 Q HA 0.037 4.377 4.340 0.001 0.000 0.206 46 Q C 0.467 176.494 176.000 0.045 0.000 0.948 46 Q CA 1.021 56.853 55.803 0.049 0.000 0.946 46 Q CB 0.119 28.878 28.738 0.035 0.000 1.027 46 Q HN 0.889 nan 8.270 nan 0.000 0.513 47 T N -2.442 112.143 114.554 0.050 0.000 2.894 47 T HA 0.735 5.085 4.350 0.001 0.000 0.309 47 T C -1.586 173.145 174.700 0.051 0.000 1.208 47 T CA -0.386 61.737 62.100 0.038 0.000 1.016 47 T CB 2.165 71.048 68.868 0.025 0.000 1.192 47 T HN 0.028 nan 8.240 nan 0.000 0.491 48 A N 2.598 125.435 122.820 0.029 0.000 2.435 48 A HA 0.872 5.193 4.320 0.001 0.000 0.296 48 A C -1.038 176.552 177.584 0.009 0.000 1.147 48 A CA -0.945 51.112 52.037 0.033 0.000 0.775 48 A CB 1.296 20.305 19.000 0.016 0.000 1.340 48 A HN 0.803 nan 8.150 nan 0.000 0.427 49 I N 1.313 121.895 120.570 0.019 0.000 2.406 49 I HA 0.437 4.608 4.170 0.001 0.000 0.290 49 I C -0.887 175.236 176.117 0.010 0.000 0.999 49 I CA -0.506 60.809 61.300 0.024 0.000 1.124 49 I CB 1.177 39.211 38.000 0.057 0.000 1.289 49 I HN 0.246 nan 8.210 nan 0.000 0.441 50 V N 5.911 125.824 119.914 -0.001 0.000 2.376 50 V HA 0.356 4.477 4.120 0.001 0.000 0.287 50 V C 0.436 176.555 176.094 0.042 0.000 1.015 50 V CA -0.836 61.459 62.300 -0.008 0.000 0.834 50 V CB 0.944 32.723 31.823 -0.074 0.000 1.001 50 V HN 0.897 nan 8.190 nan 0.000 0.428 51 N N 3.967 122.729 118.700 0.104 0.000 2.725 51 N HA -0.248 4.493 4.740 0.001 0.000 0.251 51 N C 1.164 176.704 175.510 0.049 0.000 1.031 51 N CA 0.455 53.556 53.050 0.086 0.000 0.720 51 N CB -0.685 37.837 38.487 0.059 0.000 0.930 51 N HN 1.391 nan 8.380 nan 0.000 0.543 52 G N -1.262 107.573 108.800 0.060 0.000 2.179 52 G HA2 -0.334 3.627 3.960 0.001 0.000 0.260 52 G HA3 -0.334 3.627 3.960 0.001 0.000 0.260 52 G C -0.128 174.787 174.900 0.025 0.000 0.977 52 G CA 0.535 45.656 45.100 0.036 0.000 0.641 52 G HN 0.423 nan 8.290 nan 0.000 0.533 53 Q N 0.628 120.440 119.800 0.021 0.000 2.309 53 Q HA 0.502 4.843 4.340 0.001 0.000 0.264 53 Q C -2.587 173.415 176.000 0.004 0.000 1.008 53 Q CA -2.099 53.709 55.803 0.009 0.000 0.853 53 Q CB 2.363 31.103 28.738 0.003 0.000 1.314 53 Q HN 0.279 nan 8.270 nan 0.000 0.448 54 P HA 0.211 nan 4.420 nan 0.000 0.276 54 P C -0.830 176.462 177.300 -0.012 0.000 1.230 54 P CA -0.463 62.637 63.100 0.000 0.000 0.776 54 P CB 0.675 32.378 31.700 0.004 0.000 0.888 55 L N 2.888 124.098 121.223 -0.021 0.000 2.406 55 L HA 0.665 5.006 4.340 0.001 0.000 0.272 55 L C -0.544 176.309 176.870 -0.028 0.000 0.980 55 L CA -0.836 53.981 54.840 -0.039 0.000 0.831 55 L CB 1.506 43.517 42.059 -0.079 0.000 1.253 55 L HN 0.431 nan 8.230 nan 0.000 0.406 56 A N 5.833 128.641 122.820 -0.021 0.000 2.425 56 A HA 0.673 4.993 4.320 0.001 0.000 0.249 56 A C -0.829 176.749 177.584 -0.010 0.000 1.084 56 A CA -0.154 51.878 52.037 -0.007 0.000 0.781 56 A CB 0.081 19.078 19.000 -0.004 0.000 1.019 56 A HN 0.734 nan 8.150 nan 0.000 0.490 57 L N 2.086 123.316 121.223 0.012 0.000 2.385 57 L HA 0.321 4.662 4.340 0.001 0.000 0.273 57 L C 0.978 177.870 176.870 0.037 0.000 0.990 57 L CA -0.526 54.330 54.840 0.027 0.000 0.821 57 L CB 1.813 43.913 42.059 0.069 0.000 1.279 57 L HN 0.944 nan 8.230 nan 0.000 0.412 58 Q N 1.311 121.132 119.800 0.035 0.000 2.049 58 Q HA 0.031 4.372 4.340 0.001 0.000 0.198 58 Q C 0.041 176.070 176.000 0.047 0.000 0.971 58 Q CA 1.009 56.832 55.803 0.033 0.000 0.833 58 Q CB 0.211 28.965 28.738 0.027 0.000 0.896 58 Q HN 0.456 nan 8.270 nan 0.000 0.434 59 V N 3.875 123.828 119.914 0.066 0.000 2.333 59 V HA 0.233 4.353 4.120 0.001 0.000 0.274 59 V C -2.160 173.999 176.094 0.109 0.000 1.028 59 V CA -1.688 60.659 62.300 0.078 0.000 0.851 59 V CB 0.742 32.614 31.823 0.083 0.000 1.000 59 V HN 0.122 nan 8.190 nan 0.000 0.456 60 P HA 0.206 nan 4.420 nan 0.000 0.274 60 P C -0.229 177.127 177.300 0.094 0.000 1.246 60 P CA -0.336 62.828 63.100 0.108 0.000 0.795 60 P CB 0.619 32.371 31.700 0.086 0.000 1.006 61 V N 1.640 121.610 119.914 0.093 0.000 2.521 61 V HA 0.036 4.157 4.120 0.001 0.000 0.286 61 V C 0.355 176.489 176.094 0.067 0.000 1.034 61 V CA 0.107 62.414 62.300 0.011 0.000 1.045 61 V CB 0.763 32.584 31.823 -0.003 0.000 0.974 61 V HN 0.189 nan 8.190 nan 0.000 0.480 62 V N 7.051 127.006 119.914 0.068 0.000 2.394 62 V HA 0.406 4.527 4.120 0.001 0.000 0.282 62 V C 0.086 176.269 176.094 0.148 0.000 1.031 62 V CA -0.582 61.776 62.300 0.096 0.000 0.881 62 V CB 1.496 33.359 31.823 0.068 0.000 0.982 62 V HN 0.829 nan 8.190 nan 0.000 0.451 63 M N 6.462 126.126 119.600 0.107 0.000 2.101 63 M HA 0.446 4.927 4.480 0.001 0.000 0.340 63 M C 0.060 176.406 176.300 0.076 0.000 1.057 63 M CA 0.143 55.495 55.300 0.088 0.000 0.984 63 M CB 0.659 33.280 32.600 0.035 0.000 1.560 63 M HN 0.529 nan 8.290 nan 0.000 0.435 64 K N 2.013 122.485 120.400 0.120 0.000 4.310 64 K HA 0.299 4.620 4.320 0.001 0.000 0.185 64 K C -0.438 176.189 176.600 0.046 0.000 1.134 64 K CA -0.172 56.152 56.287 0.061 0.000 1.860 64 K CB 0.240 32.770 32.500 0.050 0.000 2.614 64 K HN 0.540 nan 8.250 nan 0.000 0.570 65 D N 2.593 123.029 120.400 0.059 0.000 2.994 65 D HA 0.100 4.741 4.640 0.001 0.000 0.240 65 D C -0.415 175.901 176.300 0.026 0.000 1.195 65 D CA 0.166 54.187 54.000 0.035 0.000 0.957 65 D CB -0.340 40.480 40.800 0.033 0.000 1.105 65 D HN 0.321 nan 8.370 nan 0.000 0.477 66 N N 0.197 118.897 118.700 -0.000 0.000 2.979 66 N HA -0.167 4.573 4.740 0.001 0.000 0.234 66 N C -0.073 175.388 175.510 -0.083 0.000 0.938 66 N CA 0.758 53.773 53.050 -0.059 0.000 0.961 66 N CB -0.704 37.760 38.487 -0.039 0.000 1.089 66 N HN 0.242 nan 8.380 nan 0.000 0.576 67 K N 1.039 121.442 120.400 0.005 0.000 2.244 67 K HA 0.735 5.056 4.320 0.001 0.000 0.260 67 K C -0.392 176.214 176.600 0.010 0.000 0.951 67 K CA -0.181 56.094 56.287 -0.019 0.000 0.826 67 K CB 1.618 34.184 32.500 0.110 0.000 1.108 67 K HN 0.248 nan 8.250 nan 0.000 0.433 68 A N 2.944 125.656 122.820 -0.180 0.000 2.304 68 A HA 0.715 5.035 4.320 0.001 0.000 0.301 68 A C -1.416 175.948 177.584 -0.366 0.000 1.132 68 A CA -0.435 51.525 52.037 -0.128 0.000 0.819 68 A CB 0.284 19.178 19.000 -0.178 0.000 1.094 68 A HN 0.675 nan 8.150 nan 0.000 0.492 69 W N 0.653 121.844 121.300 -0.183 0.000 2.998 69 W HA 0.536 5.196 4.660 0.001 0.000 0.335 69 W C -0.453 175.928 176.519 -0.229 0.000 1.110 69 W CA -0.501 56.735 57.345 -0.182 0.000 1.230 69 W CB 1.990 31.380 29.460 -0.118 0.000 1.405 69 W HN 0.720 nan 8.180 nan 0.000 0.493 70 V N -0.099 119.777 119.914 -0.063 0.000 3.001 70 V HA 0.817 4.938 4.120 0.001 0.000 0.314 70 V C 0.204 176.307 176.094 0.015 0.000 1.099 70 V CA -1.240 60.955 62.300 -0.175 0.000 0.989 70 V CB 1.055 32.490 31.823 -0.648 0.000 1.040 70 V HN 0.591 nan 8.190 nan 0.000 0.434 71 S N 0.771 116.520 115.700 0.081 0.000 2.600 71 S HA 0.106 4.576 4.470 0.001 0.000 0.265 71 S C 0.842 175.512 174.600 0.116 0.000 1.325 71 S CA 0.347 58.615 58.200 0.113 0.000 1.002 71 S CB 0.691 63.962 63.200 0.119 0.000 0.921 71 S HN 1.074 nan 8.310 nan 0.000 0.554 72 D N 0.045 120.501 120.400 0.094 0.000 2.384 72 D HA -0.126 4.515 4.640 0.001 0.000 0.222 72 D C 1.370 177.707 176.300 0.063 0.000 0.976 72 D CA 1.403 55.446 54.000 0.072 0.000 0.915 72 D CB -0.764 40.073 40.800 0.061 0.000 0.896 72 D HN 0.719 nan 8.370 nan 0.000 0.523 73 T N -3.941 110.660 114.554 0.080 0.000 3.054 73 T HA 0.087 4.437 4.350 0.001 0.000 0.255 73 T C 1.487 176.227 174.700 0.066 0.000 1.035 73 T CA -0.579 61.551 62.100 0.050 0.000 0.941 73 T CB -0.742 68.144 68.868 0.030 0.000 1.026 73 T HN 0.029 nan 8.240 nan 0.000 0.533 74 F N 2.507 122.438 119.950 -0.031 0.000 2.091 74 F HA -0.003 4.524 4.527 0.001 0.000 0.299 74 F C 1.739 177.514 175.800 -0.040 0.000 1.103 74 F CA 1.229 59.207 58.000 -0.036 0.000 1.228 74 F CB -0.395 38.587 39.000 -0.030 0.000 0.984 74 F HN 0.118 nan 8.300 nan 0.000 0.477 75 I N 0.405 121.053 120.570 0.129 0.000 2.179 75 I HA -0.371 3.800 4.170 0.001 0.000 0.242 75 I C 2.140 178.195 176.117 -0.103 0.000 1.088 75 I CA 1.554 62.828 61.300 -0.044 0.000 1.357 75 I CB -0.638 37.131 38.000 -0.385 0.000 1.051 75 I HN 0.241 nan 8.210 nan 0.000 0.409 76 N N 0.772 119.410 118.700 -0.103 0.000 2.142 76 N HA -0.166 4.575 4.740 0.001 0.000 0.186 76 N C 1.396 176.857 175.510 -0.081 0.000 1.023 76 N CA 1.412 54.423 53.050 -0.064 0.000 0.852 76 N CB -0.466 37.995 38.487 -0.042 0.000 0.998 76 N HN 0.351 nan 8.380 nan 0.000 0.424 77 D N 0.853 121.178 120.400 -0.126 0.000 2.123 77 D HA -0.085 4.555 4.640 0.001 0.000 0.196 77 D C 2.133 178.285 176.300 -0.246 0.000 0.992 77 D CA 0.683 54.587 54.000 -0.159 0.000 0.833 77 D CB -0.222 40.478 40.800 -0.167 0.000 0.954 77 D HN 0.055 nan 8.370 nan 0.000 0.455 78 V N 0.206 119.864 119.914 -0.425 0.000 2.283 78 V HA -0.131 3.990 4.120 0.001 0.000 0.239 78 V C 2.036 177.863 176.094 -0.444 0.000 1.035 78 V CA 1.030 62.986 62.300 -0.572 0.000 1.018 78 V CB -0.632 30.561 31.823 -1.050 0.000 0.658 78 V HN 0.027 nan 8.190 nan 0.000 0.459 79 F N -0.114 119.746 119.950 -0.149 0.000 2.546 79 F HA -0.062 4.466 4.527 0.001 0.000 0.298 79 F C 1.946 177.761 175.800 0.025 0.000 1.120 79 F CA 0.892 58.894 58.000 0.003 0.000 1.456 79 F CB -0.221 38.855 39.000 0.128 0.000 1.088 79 F HN 0.212 nan 8.300 nan 0.000 0.572 80 Q N -1.187 118.669 119.800 0.093 0.000 2.135 80 Q HA 0.097 4.438 4.340 0.001 0.000 0.231 80 Q C 1.942 177.951 176.000 0.015 0.000 0.817 80 Q CA 0.192 56.036 55.803 0.068 0.000 1.073 80 Q CB 0.327 29.094 28.738 0.049 0.000 1.176 80 Q HN 0.236 nan 8.270 nan 0.000 0.478 81 S N -1.206 114.480 115.700 -0.023 0.000 2.368 81 S HA -0.020 4.451 4.470 0.001 0.000 0.225 81 S C 1.664 176.258 174.600 -0.010 0.000 1.030 81 S CA 1.419 59.595 58.200 -0.040 0.000 0.999 81 S CB -0.082 63.067 63.200 -0.085 0.000 0.844 81 S HN 0.518 nan 8.310 nan 0.000 0.459 82 G N 0.537 109.345 108.800 0.013 0.000 2.284 82 G HA2 -0.172 3.788 3.960 0.001 0.000 0.201 82 G HA3 -0.172 3.788 3.960 0.001 0.000 0.201 82 G C 0.720 175.634 174.900 0.023 0.000 0.998 82 G CA 0.140 45.255 45.100 0.025 0.000 0.651 82 G HN 0.472 nan 8.290 nan 0.000 0.489 83 L N 1.086 122.314 121.223 0.007 0.000 2.376 83 L HA 0.192 4.533 4.340 0.001 0.000 0.219 83 L C 0.980 177.865 176.870 0.026 0.000 1.133 83 L CA 0.960 55.804 54.840 0.006 0.000 0.816 83 L CB -0.009 42.042 42.059 -0.013 0.000 0.933 83 L HN 0.255 nan 8.230 nan 0.000 0.449 84 D N 0.262 120.690 120.400 0.047 0.000 2.411 84 D HA 0.057 4.698 4.640 0.001 0.000 0.225 84 D C 0.641 176.994 176.300 0.089 0.000 1.156 84 D CA -0.047 54.002 54.000 0.082 0.000 0.874 84 D CB 0.959 41.840 40.800 0.134 0.000 1.034 84 D HN 0.134 nan 8.370 nan 0.000 0.502 85 Q N 1.957 121.791 119.800 0.057 0.000 2.360 85 Q HA 0.015 4.355 4.340 0.001 0.000 0.202 85 Q C 1.338 177.359 176.000 0.034 0.000 0.915 85 Q CA 0.132 55.964 55.803 0.049 0.000 0.943 85 Q CB 0.385 29.136 28.738 0.021 0.000 1.064 85 Q HN 0.500 nan 8.270 nan 0.000 0.511 86 T N 0.893 115.460 114.554 0.021 0.000 2.624 86 T HA -0.165 4.185 4.350 0.001 0.000 0.268 86 T C 0.271 174.851 174.700 -0.201 0.000 1.041 86 T CA 1.369 63.402 62.100 -0.112 0.000 1.159 86 T CB -0.124 68.685 68.868 -0.098 0.000 0.863 86 T HN 0.119 nan 8.240 nan 0.000 0.434 87 F N 1.341 121.327 119.950 0.059 0.000 2.436 87 F HA 0.495 5.023 4.527 0.001 0.000 0.340 87 F C 0.403 176.227 175.800 0.041 0.000 1.113 87 F CA -1.022 57.010 58.000 0.053 0.000 1.022 87 F CB 1.191 40.223 39.000 0.053 0.000 1.128 87 F HN -0.147 nan 8.300 nan 0.000 0.466 88 Q N 2.251 122.165 119.800 0.191 0.000 2.394 88 Q HA 0.454 4.795 4.340 0.001 0.000 0.273 88 Q C -0.764 175.305 176.000 0.116 0.000 1.089 88 Q CA -1.039 54.836 55.803 0.121 0.000 0.812 88 Q CB 2.657 31.437 28.738 0.070 0.000 1.353 88 Q HN 0.579 nan 8.270 nan 0.000 0.438 89 V N -0.974 118.993 119.914 0.087 0.000 2.555 89 V HA 0.262 4.382 4.120 0.001 0.000 0.286 89 V C 0.208 176.344 176.094 0.070 0.000 1.044 89 V CA -0.456 61.888 62.300 0.075 0.000 1.026 89 V CB 0.830 32.687 31.823 0.056 0.000 0.981 89 V HN 0.806 nan 8.190 nan 0.000 0.480 90 E N 3.784 124.030 120.200 0.077 0.000 2.257 90 E HA 0.177 4.527 4.350 0.001 0.000 0.278 90 E C 0.750 177.399 176.600 0.081 0.000 1.049 90 E CA -0.281 56.173 56.400 0.089 0.000 0.876 90 E CB 1.142 30.905 29.700 0.105 0.000 1.035 90 E HN 0.890 nan 8.360 nan 0.000 0.419 91 K N 4.075 124.523 120.400 0.079 0.000 2.067 91 K HA 0.004 4.325 4.320 0.001 0.000 0.203 91 K C 0.503 177.154 176.600 0.085 0.000 1.048 91 K CA 0.505 56.832 56.287 0.067 0.000 0.954 91 K CB 0.319 32.849 32.500 0.049 0.000 0.737 91 K HN 0.337 nan 8.250 nan 0.000 0.444 92 R N 1.990 122.564 120.500 0.123 0.000 2.246 92 R HA 0.260 4.600 4.340 0.001 0.000 0.332 92 R C -2.544 173.893 176.300 0.229 0.000 0.974 92 R CA -2.465 53.739 56.100 0.174 0.000 0.837 92 R CB 1.403 31.824 30.300 0.201 0.000 1.145 92 R HN 0.083 nan 8.270 nan 0.000 0.467 93 P HA -0.119 nan 4.420 nan 0.000 0.261 93 P C -0.843 176.457 177.300 -0.000 0.000 1.183 93 P CA 0.376 63.529 63.100 0.089 0.000 0.761 93 P CB 0.340 32.059 31.700 0.032 0.000 0.785 94 H N 6.497 125.508 119.070 -0.099 0.000 2.764 94 H HA 0.091 4.647 4.556 0.001 0.000 0.341 94 H C -0.965 174.065 175.328 -0.497 0.000 1.072 94 H CA -1.315 54.492 56.048 -0.402 0.000 1.444 94 H CB 0.804 30.505 29.762 -0.102 0.000 1.458 94 H HN 0.289 nan 8.280 nan 0.000 0.572 95 P HA -0.190 nan 4.420 nan 0.000 0.219 95 P C 0.880 178.041 177.300 -0.233 0.000 1.146 95 P CA 1.222 64.040 63.100 -0.470 0.000 0.808 95 P CB 0.318 31.682 31.700 -0.560 0.000 0.779 96 L N -1.271 119.870 121.223 -0.136 0.000 2.592 96 L HA 0.116 4.457 4.340 0.001 0.000 0.227 96 L C 0.845 177.604 176.870 -0.186 0.000 1.127 96 L CA -0.226 54.448 54.840 -0.277 0.000 0.884 96 L CB -0.917 40.815 42.059 -0.544 0.000 1.065 96 L HN -0.052 nan 8.230 nan 0.000 0.457 97 N N 1.188 119.873 118.700 -0.025 0.000 2.412 97 N HA 0.164 4.904 4.740 0.001 0.000 0.254 97 N C 0.482 176.011 175.510 0.031 0.000 1.232 97 N CA -0.265 52.856 53.050 0.118 0.000 0.880 97 N CB 0.861 39.401 38.487 0.088 0.000 1.076 97 N HN 0.175 nan 8.380 nan 0.000 0.458 98 A N 2.888 125.726 122.820 0.030 0.000 2.429 98 A HA 0.119 4.440 4.320 0.001 0.000 0.242 98 A C 0.461 178.036 177.584 -0.015 0.000 1.088 98 A CA -0.269 51.762 52.037 -0.009 0.000 0.784 98 A CB 0.143 19.128 19.000 -0.025 0.000 1.038 98 A HN 0.634 nan 8.150 nan 0.000 0.501 99 L N 1.280 122.490 121.223 -0.022 0.000 2.490 99 L HA 0.161 4.502 4.340 0.001 0.000 0.274 99 L C 1.474 178.329 176.870 -0.024 0.000 1.201 99 L CA -0.041 54.785 54.840 -0.024 0.000 0.869 99 L CB 0.081 42.122 42.059 -0.029 0.000 1.123 99 L HN 0.984 nan 8.230 nan 0.000 0.484 100 T N -0.303 114.238 114.554 -0.022 0.000 2.770 100 T HA 0.344 4.695 4.350 0.001 0.000 0.281 100 T C 1.195 175.878 174.700 -0.029 0.000 0.981 100 T CA -0.184 61.903 62.100 -0.021 0.000 0.955 100 T CB 1.246 70.104 68.868 -0.016 0.000 1.060 100 T HN 0.619 nan 8.240 nan 0.000 0.531 101 A N 0.332 123.135 122.820 -0.028 0.000 1.933 101 A HA -0.062 4.259 4.320 0.001 0.000 0.218 101 A C 2.090 179.650 177.584 -0.040 0.000 1.175 101 A CA 1.569 53.585 52.037 -0.035 0.000 0.628 101 A CB -1.021 17.962 19.000 -0.029 0.000 0.814 101 A HN 0.906 nan 8.150 nan 0.000 0.444 102 D N -0.324 120.056 120.400 -0.032 0.000 2.117 102 D HA -0.123 4.517 4.640 0.001 0.000 0.198 102 D C 1.888 178.165 176.300 -0.039 0.000 0.982 102 D CA 1.391 55.371 54.000 -0.033 0.000 0.828 102 D CB -0.307 40.479 40.800 -0.024 0.000 0.967 102 D HN 0.638 nan 8.370 nan 0.000 0.464 103 E N 0.332 120.511 120.200 -0.035 0.000 2.106 103 E HA -0.104 4.247 4.350 0.001 0.000 0.192 103 E C 2.351 178.919 176.600 -0.054 0.000 0.984 103 E CA 0.308 56.685 56.400 -0.037 0.000 0.806 103 E CB 0.049 29.731 29.700 -0.030 0.000 0.750 103 E HN 0.273 nan 8.360 nan 0.000 0.458 104 I N 1.352 121.884 120.570 -0.063 0.000 2.142 104 I HA -0.319 3.852 4.170 0.001 0.000 0.240 104 I C 2.289 178.332 176.117 -0.123 0.000 1.078 104 I CA 1.343 62.587 61.300 -0.093 0.000 1.343 104 I CB -0.134 37.812 38.000 -0.090 0.000 1.046 104 I HN 0.019 nan 8.210 nan 0.000 0.405 105 K N 0.049 120.388 120.400 -0.102 0.000 2.103 105 K HA -0.269 4.052 4.320 0.001 0.000 0.207 105 K C 2.113 178.655 176.600 -0.097 0.000 1.048 105 K CA 1.393 57.616 56.287 -0.106 0.000 0.930 105 K CB -0.264 32.190 32.500 -0.075 0.000 0.716 105 K HN 0.438 nan 8.250 nan 0.000 0.444 106 Q N 0.671 120.427 119.800 -0.073 0.000 2.046 106 Q HA -0.137 4.204 4.340 0.001 0.000 0.200 106 Q C 2.102 178.065 176.000 -0.061 0.000 0.975 106 Q CA 1.387 57.156 55.803 -0.057 0.000 0.836 106 Q CB -0.080 28.634 28.738 -0.039 0.000 0.896 106 Q HN 0.313 nan 8.270 nan 0.000 0.428 107 A N 0.101 122.880 122.820 -0.069 0.000 1.908 107 A HA -0.148 4.173 4.320 0.001 0.000 0.218 107 A C 2.209 179.742 177.584 -0.085 0.000 1.181 107 A CA 1.614 53.616 52.037 -0.058 0.000 0.627 107 A CB -0.777 18.187 19.000 -0.060 0.000 0.818 107 A HN 0.312 nan 8.150 nan 0.000 0.445 108 V N 0.137 119.947 119.914 -0.173 0.000 2.358 108 V HA -0.265 3.856 4.120 0.001 0.000 0.246 108 V C 2.400 178.402 176.094 -0.154 0.000 1.047 108 V CA 2.287 64.444 62.300 -0.239 0.000 1.035 108 V CB -0.852 30.745 31.823 -0.376 0.000 0.658 108 V HN 0.669 nan 8.190 nan 0.000 0.452 109 E N -0.005 120.122 120.200 -0.121 0.000 2.085 109 E HA -0.220 4.131 4.350 0.001 0.000 0.194 109 E C 2.155 178.703 176.600 -0.087 0.000 0.994 109 E CA 1.598 57.937 56.400 -0.102 0.000 0.801 109 E CB -0.250 29.408 29.700 -0.070 0.000 0.743 109 E HN 0.546 nan 8.360 nan 0.000 0.453 110 I N 1.096 121.636 120.570 -0.049 0.000 2.127 110 I HA -0.272 3.899 4.170 0.001 0.000 0.241 110 I C 2.681 178.808 176.117 0.016 0.000 1.075 110 I CA 1.276 62.571 61.300 -0.009 0.000 1.334 110 I CB -0.494 37.518 38.000 0.020 0.000 1.040 110 I HN 0.093 nan 8.210 nan 0.000 0.405 111 V N -1.213 118.733 119.914 0.053 0.000 2.490 111 V HA -0.235 3.886 4.120 0.001 0.000 0.250 111 V C 2.127 178.158 176.094 -0.105 0.000 1.061 111 V CA 1.597 64.009 62.300 0.186 0.000 1.064 111 V CB -0.951 31.105 31.823 0.388 0.000 0.670 111 V HN 0.373 nan 8.190 nan 0.000 0.461 112 K N 1.136 121.261 120.400 -0.460 0.000 2.365 112 K HA 0.226 4.547 4.320 0.001 0.000 0.199 112 K C 2.089 178.541 176.600 -0.247 0.000 1.045 112 K CA 1.102 56.917 56.287 -0.788 0.000 0.962 112 K CB -0.247 31.885 32.500 -0.613 0.000 0.759 112 K HN 0.616 nan 8.250 nan 0.000 0.469 113 A N 1.388 124.135 122.820 -0.123 0.000 2.218 113 A HA 0.005 4.325 4.320 0.001 0.000 0.209 113 A C 1.006 178.571 177.584 -0.031 0.000 1.168 113 A CA -0.020 51.986 52.037 -0.052 0.000 0.804 113 A CB 0.025 19.002 19.000 -0.038 0.000 0.834 113 A HN 0.199 nan 8.150 nan 0.000 0.482 114 S N -0.077 115.611 115.700 -0.019 0.000 2.549 114 S HA 0.421 4.892 4.470 0.001 0.000 0.279 114 S C 1.272 175.806 174.600 -0.110 0.000 1.321 114 S CA 0.061 58.208 58.200 -0.088 0.000 1.054 114 S CB 1.223 64.315 63.200 -0.180 0.000 0.899 114 S HN 0.825 nan 8.310 nan 0.000 0.497 115 A N 3.612 126.340 122.820 -0.154 0.000 2.024 115 A HA -0.070 4.251 4.320 0.001 0.000 0.220 115 A C 1.681 179.163 177.584 -0.170 0.000 1.164 115 A CA 1.674 53.635 52.037 -0.126 0.000 0.643 115 A CB -0.512 18.420 19.000 -0.114 0.000 0.806 115 A HN 0.918 nan 8.150 nan 0.000 0.451 116 D N -1.809 118.373 120.400 -0.364 0.000 2.348 116 D HA 0.075 4.716 4.640 0.001 0.000 0.211 116 D C 0.315 176.475 176.300 -0.234 0.000 0.998 116 D CA -0.155 53.603 54.000 -0.402 0.000 0.873 116 D CB -0.147 40.184 40.800 -0.781 0.000 0.925 116 D HN 0.407 nan 8.370 nan 0.000 0.524 117 F N 2.486 122.262 119.950 -0.291 0.000 2.629 117 F HA -0.058 4.469 4.527 0.001 0.000 0.369 117 F C 0.673 176.530 175.800 0.096 0.000 1.125 117 F CA 0.284 58.343 58.000 0.098 0.000 1.330 117 F CB 0.491 39.578 39.000 0.145 0.000 1.071 117 F HN -0.420 nan 8.300 nan 0.000 0.595 118 K N 7.410 127.395 120.400 -0.692 0.000 2.292 118 K HA 0.251 4.572 4.320 0.001 0.000 0.257 118 K C -1.987 174.245 176.600 -0.613 0.000 0.940 118 K CA -1.636 54.383 56.287 -0.445 0.000 0.811 118 K CB 1.641 33.979 32.500 -0.269 0.000 1.120 118 K HN 0.263 nan 8.250 nan 0.000 0.428 119 P HA -0.208 nan 4.420 nan 0.000 0.217 119 P C 0.596 177.892 177.300 -0.006 0.000 1.151 119 P CA 1.441 64.551 63.100 0.018 0.000 0.849 119 P CB 0.202 31.934 31.700 0.053 0.000 0.787 120 N N -2.216 116.437 118.700 -0.079 0.000 2.314 120 N HA -0.000 4.740 4.740 0.001 0.000 0.200 120 N C -0.372 175.077 175.510 -0.102 0.000 1.135 120 N CA 0.286 53.309 53.050 -0.044 0.000 0.835 120 N CB -0.912 37.553 38.487 -0.036 0.000 0.989 120 N HN -0.034 nan 8.380 nan 0.000 0.478 121 T N 1.891 116.300 114.554 -0.242 0.000 2.867 121 T HA 0.120 4.471 4.350 0.001 0.000 0.297 121 T C 0.529 175.028 174.700 -0.335 0.000 0.989 121 T CA 0.116 62.002 62.100 -0.357 0.000 1.159 121 T CB 0.844 69.291 68.868 -0.701 0.000 0.928 121 T HN 0.194 nan 8.240 nan 0.000 0.538 122 R N 1.319 121.624 120.500 -0.325 0.000 2.782 122 R HA 0.594 4.935 4.340 0.001 0.000 0.258 122 R C -0.941 175.078 176.300 -0.469 0.000 1.055 122 R CA -0.737 55.236 56.100 -0.212 0.000 1.065 122 R CB 1.053 31.417 30.300 0.107 0.000 1.172 122 R HN 0.479 nan 8.270 nan 0.000 0.510 123 F N 0.056 120.103 119.950 0.160 0.000 2.403 123 F HA 0.187 4.714 4.527 0.001 0.000 0.355 123 F C 1.449 177.325 175.800 0.127 0.000 1.119 123 F CA -0.664 57.409 58.000 0.120 0.000 1.007 123 F CB 1.860 40.920 39.000 0.099 0.000 1.194 123 F HN 0.631 nan 8.300 nan 0.000 0.443 124 T N -1.611 113.067 114.554 0.205 0.000 2.857 124 T HA -0.021 4.330 4.350 0.001 0.000 0.266 124 T C 0.407 175.202 174.700 0.157 0.000 1.048 124 T CA 0.853 63.048 62.100 0.158 0.000 1.139 124 T CB 0.193 69.125 68.868 0.107 0.000 0.874 124 T HN 0.586 nan 8.240 nan 0.000 0.455 125 E N -0.466 119.834 120.200 0.167 0.000 2.363 125 E HA 0.553 4.903 4.350 0.001 0.000 0.281 125 E C -1.989 174.687 176.600 0.127 0.000 0.953 125 E CA -0.798 55.677 56.400 0.124 0.000 0.778 125 E CB 1.936 31.682 29.700 0.077 0.000 1.220 125 E HN 0.357 nan 8.360 nan 0.000 0.431 126 I N 2.927 123.545 120.570 0.080 0.000 2.517 126 I HA 0.328 4.498 4.170 0.001 0.000 0.280 126 I C -0.898 175.230 176.117 0.018 0.000 1.061 126 I CA -0.354 60.969 61.300 0.040 0.000 1.091 126 I CB 1.705 39.689 38.000 -0.027 0.000 1.205 126 I HN 0.278 nan 8.210 nan 0.000 0.459 127 S N 4.645 120.358 115.700 0.021 0.000 2.595 127 S HA 0.557 5.028 4.470 0.001 0.000 0.281 127 S C -0.708 173.893 174.600 0.002 0.000 1.117 127 S CA -0.664 57.540 58.200 0.008 0.000 0.873 127 S CB 2.495 65.704 63.200 0.016 0.000 1.108 127 S HN 0.486 nan 8.310 nan 0.000 0.477 128 L N 2.657 123.873 121.223 -0.011 0.000 2.525 128 L HA 0.320 4.660 4.340 0.001 0.000 0.278 128 L C -0.493 176.372 176.870 -0.009 0.000 1.218 128 L CA -0.190 54.641 54.840 -0.016 0.000 0.878 128 L CB 0.096 42.137 42.059 -0.031 0.000 1.127 128 L HN 0.577 nan 8.230 nan 0.000 0.492 129 L N 8.427 129.647 121.223 -0.004 0.000 2.281 129 L HA 0.507 4.847 4.340 0.001 0.000 0.285 129 L C -2.218 174.650 176.870 -0.004 0.000 1.074 129 L CA -2.383 52.459 54.840 0.003 0.000 0.817 129 L CB 0.074 42.140 42.059 0.012 0.000 1.168 129 L HN 0.551 nan 8.230 nan 0.000 0.434 130 P HA 0.072 nan 4.420 nan 0.000 0.253 130 P C -2.427 174.887 177.300 0.023 0.000 1.170 130 P CA -0.544 62.563 63.100 0.011 0.000 0.806 130 P CB -0.627 31.092 31.700 0.031 0.000 0.775 131 P HA -0.007 nan 4.420 nan 0.000 0.269 131 P C 0.043 177.363 177.300 0.034 0.000 1.217 131 P CA 0.048 63.151 63.100 0.005 0.000 0.783 131 P CB 0.386 32.066 31.700 -0.033 0.000 0.898 132 D N 1.666 122.082 120.400 0.028 0.000 2.450 132 D HA -0.065 4.576 4.640 0.001 0.000 0.247 132 D C 0.939 177.239 176.300 -0.001 0.000 1.162 132 D CA -0.182 53.839 54.000 0.035 0.000 0.879 132 D CB 0.974 41.795 40.800 0.034 0.000 1.163 132 D HN 0.394 nan 8.370 nan 0.000 0.472 133 K N 2.801 123.166 120.400 -0.058 0.000 2.089 133 K HA -0.311 4.010 4.320 0.001 0.000 0.210 133 K C 1.771 178.216 176.600 -0.258 0.000 1.048 133 K CA 1.836 57.896 56.287 -0.378 0.000 0.926 133 K CB -0.022 32.038 32.500 -0.734 0.000 0.714 133 K HN 0.630 nan 8.250 nan 0.000 0.448 134 E N -0.444 119.701 120.200 -0.091 0.000 2.077 134 E HA -0.196 4.155 4.350 0.001 0.000 0.193 134 E C 1.795 178.440 176.600 0.075 0.000 0.989 134 E CA 1.061 57.473 56.400 0.020 0.000 0.800 134 E CB -0.139 29.572 29.700 0.019 0.000 0.746 134 E HN 0.492 nan 8.360 nan 0.000 0.452 135 A N 0.346 123.195 122.820 0.048 0.000 1.930 135 A HA -0.106 4.214 4.320 0.001 0.000 0.217 135 A C 2.365 180.006 177.584 0.096 0.000 1.175 135 A CA 1.193 53.271 52.037 0.069 0.000 0.627 135 A CB -0.502 18.523 19.000 0.041 0.000 0.815 135 A HN 0.213 nan 8.150 nan 0.000 0.443 136 V N -2.177 117.768 119.914 0.052 0.000 2.343 136 V HA -0.296 3.825 4.120 0.001 0.000 0.247 136 V C 2.220 178.405 176.094 0.152 0.000 1.051 136 V CA 1.796 64.115 62.300 0.032 0.000 1.036 136 V CB -0.991 30.856 31.823 0.039 0.000 0.654 136 V HN 0.793 nan 8.190 nan 0.000 0.451 137 W N -0.172 121.205 121.300 0.128 0.000 2.388 137 W HA -0.081 4.580 4.660 0.001 0.000 0.294 137 W C 2.567 179.147 176.519 0.101 0.000 1.212 137 W CA 0.867 58.288 57.345 0.127 0.000 1.271 137 W CB -0.193 29.290 29.460 0.038 0.000 1.126 137 W HN 0.196 nan 8.180 nan 0.000 0.535 138 A N -0.354 122.657 122.820 0.319 0.000 1.972 138 A HA -0.239 4.082 4.320 0.001 0.000 0.219 138 A C 1.641 179.329 177.584 0.173 0.000 1.169 138 A CA 1.502 53.654 52.037 0.192 0.000 0.635 138 A CB -1.129 17.947 19.000 0.128 0.000 0.810 138 A HN 0.413 nan 8.150 nan 0.000 0.446 139 F N 0.888 120.869 119.950 0.052 0.000 2.084 139 F HA 0.034 4.562 4.527 0.001 0.000 0.296 139 F C 2.483 178.291 175.800 0.014 0.000 1.111 139 F CA 1.250 59.240 58.000 -0.016 0.000 1.224 139 F CB -0.520 38.406 39.000 -0.124 0.000 0.991 139 F HN 0.225 nan 8.300 nan 0.000 0.471 140 A N 0.483 123.527 122.820 0.374 0.000 1.933 140 A HA -0.086 4.234 4.320 0.001 0.000 0.218 140 A C 2.196 179.915 177.584 0.226 0.000 1.175 140 A CA 1.948 54.188 52.037 0.340 0.000 0.628 140 A CB -1.021 18.261 19.000 0.470 0.000 0.814 140 A HN 0.516 nan 8.150 nan 0.000 0.444 141 L N -1.953 119.413 121.223 0.238 0.000 2.298 141 L HA 0.087 4.428 4.340 0.001 0.000 0.209 141 L C 1.929 178.825 176.870 0.042 0.000 1.084 141 L CA 0.834 55.758 54.840 0.140 0.000 0.816 141 L CB -0.093 42.045 42.059 0.131 0.000 0.967 141 L HN 0.365 nan 8.230 nan 0.000 0.460 142 E N -1.167 119.042 120.200 0.016 0.000 2.514 142 E HA 0.055 4.406 4.350 0.001 0.000 0.215 142 E C 0.045 176.583 176.600 -0.103 0.000 0.946 142 E CA -0.142 56.241 56.400 -0.028 0.000 1.038 142 E CB 0.487 30.185 29.700 -0.003 0.000 1.069 142 E HN 0.213 nan 8.360 nan 0.000 0.503 143 N N 1.827 120.399 118.700 -0.212 0.000 2.776 143 N HA -0.177 4.564 4.740 0.001 0.000 0.250 143 N C -0.538 174.799 175.510 -0.288 0.000 1.112 143 N CA 0.724 53.513 53.050 -0.435 0.000 0.733 143 N CB -0.731 37.566 38.487 -0.317 0.000 1.097 143 N HN 0.176 nan 8.380 nan 0.000 0.558 144 K N 1.291 121.620 120.400 -0.118 0.000 2.276 144 K HA 0.293 4.613 4.320 0.001 0.000 0.283 144 K C -2.362 174.297 176.600 0.099 0.000 1.044 144 K CA -1.164 55.119 56.287 -0.006 0.000 0.944 144 K CB 0.747 33.265 32.500 0.031 0.000 1.012 144 K HN -0.064 nan 8.250 nan 0.000 0.472 145 P HA -0.035 nan 4.420 nan 0.000 0.269 145 P C -0.966 176.419 177.300 0.141 0.000 1.209 145 P CA -0.392 62.817 63.100 0.182 0.000 0.776 145 P CB 0.609 32.372 31.700 0.105 0.000 0.876 146 V N 3.436 123.420 119.914 0.117 0.000 2.406 146 V HA 0.078 4.199 4.120 0.001 0.000 0.272 146 V C 0.902 177.014 176.094 0.029 0.000 1.043 146 V CA 0.255 62.583 62.300 0.047 0.000 0.915 146 V CB 0.707 32.516 31.823 -0.023 0.000 0.988 146 V HN 0.530 nan 8.190 nan 0.000 0.466 147 D N 2.983 123.400 120.400 0.029 0.000 2.328 147 D HA 0.026 4.667 4.640 0.001 0.000 0.221 147 D C 0.699 177.007 176.300 0.014 0.000 1.072 147 D CA 0.353 54.366 54.000 0.022 0.000 0.850 147 D CB 0.646 41.460 40.800 0.024 0.000 0.922 147 D HN 0.630 nan 8.370 nan 0.000 0.516 148 Q N 1.847 121.652 119.800 0.008 0.000 2.243 148 Q HA 0.283 4.623 4.340 0.001 0.000 0.252 148 Q C -2.476 173.523 176.000 -0.001 0.000 0.909 148 Q CA -1.904 53.903 55.803 0.006 0.000 0.922 148 Q CB 1.618 30.360 28.738 0.007 0.000 1.215 148 Q HN -0.154 nan 8.270 nan 0.000 0.427 149 P HA 0.026 nan 4.420 nan 0.000 0.268 149 P C -0.990 176.306 177.300 -0.006 0.000 1.205 149 P CA 0.055 63.155 63.100 -0.000 0.000 0.771 149 P CB 0.461 32.164 31.700 0.005 0.000 0.858 150 R N 2.976 123.469 120.500 -0.011 0.000 2.484 150 R HA 0.169 4.509 4.340 0.001 0.000 0.293 150 R C 0.464 176.760 176.300 -0.007 0.000 1.023 150 R CA 0.451 56.541 56.100 -0.017 0.000 1.037 150 R CB 0.181 30.469 30.300 -0.020 0.000 0.951 150 R HN 0.524 nan 8.270 nan 0.000 0.418 151 K N 0.899 121.296 120.400 -0.006 0.000 2.395 151 K HA 0.703 5.023 4.320 0.001 0.000 0.247 151 K C -1.012 175.589 176.600 0.002 0.000 0.973 151 K CA -0.876 55.414 56.287 0.004 0.000 0.828 151 K CB 2.546 35.053 32.500 0.011 0.000 1.272 151 K HN 0.587 nan 8.250 nan 0.000 0.439 152 A N 1.379 124.205 122.820 0.011 0.000 2.414 152 A HA 0.421 4.742 4.320 0.001 0.000 0.306 152 A C -1.411 176.189 177.584 0.026 0.000 1.054 152 A CA -0.784 51.259 52.037 0.010 0.000 0.724 152 A CB 1.086 20.087 19.000 0.001 0.000 1.267 152 A HN 0.632 nan 8.150 nan 0.000 0.418 153 D N 1.203 121.621 120.400 0.029 0.000 2.225 153 D HA 0.460 5.101 4.640 0.001 0.000 0.248 153 D C -0.783 175.551 176.300 0.056 0.000 1.096 153 D CA 0.264 54.289 54.000 0.043 0.000 0.863 153 D CB 1.803 42.630 40.800 0.045 0.000 1.156 153 D HN 0.158 nan 8.370 nan 0.000 0.450 154 V N 4.685 124.640 119.914 0.069 0.000 2.349 154 V HA 0.330 4.450 4.120 0.001 0.000 0.284 154 V C 0.305 176.459 176.094 0.099 0.000 1.014 154 V CA -0.695 61.673 62.300 0.115 0.000 0.826 154 V CB 1.131 33.042 31.823 0.147 0.000 1.009 154 V HN 0.365 nan 8.190 nan 0.000 0.431 155 I N 5.852 126.498 120.570 0.128 0.000 2.315 155 I HA 0.484 4.655 4.170 0.001 0.000 0.291 155 I C -0.038 176.127 176.117 0.081 0.000 1.006 155 I CA -0.082 61.270 61.300 0.087 0.000 1.265 155 I CB 1.335 39.413 38.000 0.129 0.000 1.387 155 I HN 0.456 nan 8.210 nan 0.000 0.475 156 M N 6.337 125.907 119.600 -0.051 0.000 2.644 156 M HA 0.495 4.975 4.480 0.001 0.000 0.316 156 M C -1.062 175.143 176.300 -0.160 0.000 1.200 156 M CA -0.913 54.295 55.300 -0.153 0.000 0.944 156 M CB 2.632 35.075 32.600 -0.263 0.000 1.691 156 M HN 0.340 nan 8.290 nan 0.000 0.471 157 L N 2.237 123.352 121.223 -0.180 0.000 2.345 157 L HA 0.412 4.753 4.340 0.001 0.000 0.274 157 L C -1.284 175.489 176.870 -0.163 0.000 0.999 157 L CA -0.127 54.630 54.840 -0.137 0.000 0.849 157 L CB 0.934 42.941 42.059 -0.085 0.000 1.220 157 L HN 0.565 nan 8.230 nan 0.000 0.422 158 D N 4.429 124.749 120.400 -0.133 0.000 2.467 158 D HA 0.575 5.216 4.640 0.001 0.000 0.220 158 D C 0.944 177.201 176.300 -0.071 0.000 1.103 158 D CA 0.791 54.724 54.000 -0.113 0.000 0.886 158 D CB 0.748 41.505 40.800 -0.073 0.000 1.025 158 D HN 0.837 nan 8.370 nan 0.000 0.514 159 G N 5.051 113.793 108.800 -0.097 0.000 2.889 159 G HA2 -0.367 3.594 3.960 0.001 0.000 0.308 159 G HA3 -0.367 3.594 3.960 0.001 0.000 0.308 159 G C 0.806 175.602 174.900 -0.173 0.000 1.248 159 G CA 0.779 45.811 45.100 -0.113 0.000 0.982 159 G HN 0.684 nan 8.290 nan 0.000 0.571 160 K N 0.719 120.923 120.400 -0.327 0.000 2.438 160 K HA 0.288 4.609 4.320 0.001 0.000 0.206 160 K C 0.124 176.464 176.600 -0.434 0.000 1.081 160 K CA -0.132 55.946 56.287 -0.348 0.000 1.053 160 K CB 0.382 32.671 32.500 -0.353 0.000 0.908 160 K HN 0.627 nan 8.250 nan 0.000 0.556 161 H N 1.544 120.531 119.070 -0.137 0.000 2.502 161 H HA 0.268 4.825 4.556 0.001 0.000 0.327 161 H C -0.114 175.096 175.328 -0.195 0.000 1.099 161 H CA -0.658 55.286 56.048 -0.174 0.000 1.323 161 H CB 1.377 31.056 29.762 -0.137 0.000 1.450 161 H HN 0.006 nan 8.280 nan 0.000 0.502 162 I N 4.215 124.705 120.570 -0.133 0.000 2.396 162 I HA 0.216 4.387 4.170 0.001 0.000 0.292 162 I C 0.475 176.465 176.117 -0.211 0.000 0.999 162 I CA -0.338 60.832 61.300 -0.216 0.000 1.310 162 I CB 0.780 38.530 38.000 -0.416 0.000 1.404 162 I HN 0.444 nan 8.210 nan 0.000 0.496 163 I N 5.467 125.896 120.570 -0.236 0.000 2.534 163 I HA 0.268 4.438 4.170 0.001 0.000 0.288 163 I C -0.249 175.683 176.117 -0.308 0.000 1.077 163 I CA -0.488 60.609 61.300 -0.338 0.000 1.051 163 I CB 2.124 39.784 38.000 -0.567 0.000 1.234 163 I HN 0.454 nan 8.210 nan 0.000 0.425 164 E N 5.003 125.059 120.200 -0.239 0.000 2.156 164 E HA 0.735 5.086 4.350 0.001 0.000 0.279 164 E C -0.799 175.697 176.600 -0.174 0.000 0.965 164 E CA -0.656 55.670 56.400 -0.123 0.000 0.789 164 E CB 2.038 31.736 29.700 -0.004 0.000 1.098 164 E HN 0.644 nan 8.360 nan 0.000 0.397 165 A N 2.691 125.435 122.820 -0.126 0.000 2.380 165 A HA 0.700 5.021 4.320 0.001 0.000 0.315 165 A C -0.950 176.659 177.584 0.041 0.000 1.101 165 A CA -0.627 51.383 52.037 -0.045 0.000 0.771 165 A CB 1.490 20.470 19.000 -0.033 0.000 1.287 165 A HN 0.389 nan 8.150 nan 0.000 0.436 166 V N 1.725 121.688 119.914 0.080 0.000 2.588 166 V HA 0.620 4.741 4.120 0.001 0.000 0.304 166 V C -0.286 175.858 176.094 0.083 0.000 1.042 166 V CA -0.476 61.866 62.300 0.069 0.000 0.877 166 V CB 1.536 33.394 31.823 0.058 0.000 0.996 166 V HN 1.182 nan 8.190 nan 0.000 0.425 167 V N 0.435 120.387 119.914 0.064 0.000 2.769 167 V HA 0.709 4.830 4.120 0.001 0.000 0.312 167 V C -0.696 175.420 176.094 0.037 0.000 1.061 167 V CA -0.631 61.704 62.300 0.058 0.000 0.931 167 V CB 2.163 34.018 31.823 0.053 0.000 1.010 167 V HN 0.804 nan 8.190 nan 0.000 0.433 168 D N 3.018 123.437 120.400 0.032 0.000 2.443 168 D HA 0.373 5.014 4.640 0.001 0.000 0.221 168 D C 0.903 177.211 176.300 0.013 0.000 1.097 168 D CA -0.214 53.798 54.000 0.021 0.000 0.865 168 D CB 1.393 42.207 40.800 0.022 0.000 1.034 168 D HN 0.644 nan 8.370 nan 0.000 0.511 169 L N 2.839 124.066 121.223 0.006 0.000 2.093 169 L HA -0.133 4.208 4.340 0.001 0.000 0.208 169 L C 2.534 179.403 176.870 -0.001 0.000 1.085 169 L CA 0.765 55.604 54.840 -0.001 0.000 0.755 169 L CB -0.321 41.733 42.059 -0.008 0.000 0.904 169 L HN 0.463 nan 8.230 nan 0.000 0.435 170 Q N 0.582 120.382 119.800 0.000 0.000 2.084 170 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 170 Q C 1.328 177.330 176.000 0.003 0.000 0.978 170 Q CA 1.589 57.393 55.803 0.001 0.000 0.844 170 Q CB 0.152 28.891 28.738 0.002 0.000 0.898 170 Q HN 0.507 nan 8.270 nan 0.000 0.426 171 N N 0.706 119.410 118.700 0.006 0.000 2.230 171 N HA -0.013 4.728 4.740 0.001 0.000 0.202 171 N C -0.539 174.975 175.510 0.007 0.000 1.119 171 N CA 0.252 53.306 53.050 0.007 0.000 0.851 171 N CB 0.238 38.731 38.487 0.010 0.000 0.990 171 N HN 0.281 nan 8.380 nan 0.000 0.497 172 N N 1.749 120.452 118.700 0.005 0.000 2.686 172 N HA -0.235 4.506 4.740 0.001 0.000 0.261 172 N C -1.062 174.453 175.510 0.010 0.000 1.001 172 N CA 0.881 53.934 53.050 0.004 0.000 0.764 172 N CB -0.891 37.595 38.487 -0.001 0.000 0.898 172 N HN 0.514 nan 8.380 nan 0.000 0.544 173 K N -0.973 119.438 120.400 0.018 0.000 2.532 173 K HA 0.520 4.841 4.320 0.001 0.000 0.265 173 K C -1.056 175.571 176.600 0.044 0.000 0.948 173 K CA -1.237 55.066 56.287 0.026 0.000 0.842 173 K CB 1.091 33.604 32.500 0.022 0.000 1.392 173 K HN 0.020 nan 8.250 nan 0.000 0.436 174 L N 3.651 124.909 121.223 0.059 0.000 2.361 174 L HA 0.175 4.516 4.340 0.001 0.000 0.278 174 L C 0.249 177.173 176.870 0.089 0.000 1.113 174 L CA -0.001 54.896 54.840 0.096 0.000 0.849 174 L CB 0.237 42.372 42.059 0.127 0.000 1.155 174 L HN 0.860 nan 8.230 nan 0.000 0.452 175 L N 3.156 124.434 121.223 0.092 0.000 2.253 175 L HA 0.216 4.557 4.340 0.001 0.000 0.205 175 L C 0.697 177.626 176.870 0.099 0.000 1.078 175 L CA 0.659 55.546 54.840 0.078 0.000 0.805 175 L CB -0.275 41.821 42.059 0.061 0.000 0.963 175 L HN 0.830 nan 8.230 nan 0.000 0.459 176 S N -2.173 113.608 115.700 0.135 0.000 2.565 176 S HA 0.404 4.875 4.470 0.001 0.000 0.269 176 S C -1.999 172.755 174.600 0.256 0.000 1.153 176 S CA -0.730 57.567 58.200 0.162 0.000 0.835 176 S CB 2.250 65.513 63.200 0.106 0.000 1.122 176 S HN 0.220 nan 8.310 nan 0.000 0.462 177 W N 2.660 123.985 121.300 0.042 0.000 2.740 177 W HA 0.408 5.069 4.660 0.001 0.000 0.316 177 W C -1.963 174.574 176.519 0.031 0.000 1.020 177 W CA -0.318 57.056 57.345 0.048 0.000 1.278 177 W CB 1.251 30.741 29.460 0.050 0.000 1.224 177 W HN 0.930 nan 8.180 nan 0.000 0.393 178 Q N 6.015 125.793 119.800 -0.036 0.000 2.309 178 Q HA 0.338 4.679 4.340 0.001 0.000 0.270 178 Q C -2.383 173.556 176.000 -0.102 0.000 1.023 178 Q CA -1.935 53.866 55.803 -0.004 0.000 0.758 178 Q CB 2.776 31.524 28.738 0.018 0.000 1.247 178 Q HN 0.060 nan 8.270 nan 0.000 0.455 179 P HA 0.097 nan 4.420 nan 0.000 0.271 179 P C -0.761 176.482 177.300 -0.094 0.000 1.216 179 P CA -0.118 62.926 63.100 -0.093 0.000 0.771 179 P CB 0.611 32.287 31.700 -0.040 0.000 0.864 180 I N 3.212 123.695 120.570 -0.144 0.000 2.330 180 I HA 0.179 4.350 4.170 0.001 0.000 0.286 180 I C 0.999 177.015 176.117 -0.168 0.000 1.025 180 I CA -1.265 59.939 61.300 -0.160 0.000 1.197 180 I CB 0.345 38.185 38.000 -0.266 0.000 1.358 180 I HN 0.343 nan 8.210 nan 0.000 0.467 181 K N 5.405 125.739 120.400 -0.109 0.000 2.382 181 K HA 0.101 4.422 4.320 0.001 0.000 0.275 181 K C -0.019 176.513 176.600 -0.113 0.000 1.009 181 K CA -0.063 56.166 56.287 -0.097 0.000 0.970 181 K CB 1.207 33.669 32.500 -0.063 0.000 0.934 181 K HN 0.551 nan 8.250 nan 0.000 0.479 182 D N -1.234 119.089 120.400 -0.129 0.000 2.880 182 D HA -0.206 4.435 4.640 0.001 0.000 0.198 182 D C 0.061 176.215 176.300 -0.244 0.000 1.059 182 D CA 1.929 55.835 54.000 -0.157 0.000 1.019 182 D CB -1.094 39.663 40.800 -0.072 0.000 1.112 182 D HN 0.834 nan 8.370 nan 0.000 0.424 183 A N 0.683 123.333 122.820 -0.283 0.000 2.371 183 A HA 0.420 4.741 4.320 0.001 0.000 0.257 183 A C 0.188 177.515 177.584 -0.427 0.000 1.089 183 A CA 0.063 51.901 52.037 -0.331 0.000 0.794 183 A CB 0.581 19.201 19.000 -0.634 0.000 1.029 183 A HN 0.209 nan 8.150 nan 0.000 0.488 184 H N 0.385 119.367 119.070 -0.146 0.000 2.499 184 H HA 0.475 5.032 4.556 0.001 0.000 0.340 184 H C 0.711 175.990 175.328 -0.083 0.000 1.148 184 H CA 0.336 56.314 56.048 -0.117 0.000 1.215 184 H CB 1.823 31.534 29.762 -0.085 0.000 1.529 184 H HN 0.877 nan 8.280 nan 0.000 0.510 185 G N 1.813 110.632 108.800 0.032 0.000 2.476 185 G HA2 0.360 4.320 3.960 0.001 0.000 0.286 185 G HA3 0.360 4.320 3.960 0.001 0.000 0.286 185 G C 0.686 175.599 174.900 0.022 0.000 1.177 185 G CA -0.697 44.420 45.100 0.030 0.000 0.870 185 G HN 0.633 nan 8.290 nan 0.000 0.528 186 M N 0.235 119.845 119.600 0.017 0.000 2.043 186 M HA 0.404 4.885 4.480 0.001 0.000 0.272 186 M C -0.280 175.970 176.300 -0.084 0.000 1.279 186 M CA -0.305 54.965 55.300 -0.050 0.000 1.109 186 M CB 0.258 32.838 32.600 -0.033 0.000 1.377 186 M HN 0.106 nan 8.290 nan 0.000 0.469 187 V N 2.412 122.225 119.914 -0.168 0.000 2.488 187 V HA 0.271 4.392 4.120 0.001 0.000 0.277 187 V C 0.329 176.424 176.094 0.000 0.000 1.046 187 V CA -0.292 61.921 62.300 -0.144 0.000 0.986 187 V CB 0.357 31.989 31.823 -0.318 0.000 0.989 187 V HN 0.606 nan 8.190 nan 0.000 0.475 188 L N 4.339 125.558 121.223 -0.005 0.000 2.344 188 L HA 0.343 4.684 4.340 0.001 0.000 0.272 188 L C 1.216 178.035 176.870 -0.085 0.000 1.035 188 L CA -0.760 54.038 54.840 -0.071 0.000 0.807 188 L CB 1.340 43.294 42.059 -0.174 0.000 1.237 188 L HN 0.517 nan 8.230 nan 0.000 0.442 189 L N 1.948 123.003 121.223 -0.281 0.000 2.034 189 L HA -0.277 4.063 4.340 0.001 0.000 0.217 189 L C 2.183 178.946 176.870 -0.179 0.000 1.077 189 L CA 2.301 56.986 54.840 -0.259 0.000 0.769 189 L CB -0.694 41.218 42.059 -0.246 0.000 0.890 189 L HN 0.901 nan 8.230 nan 0.000 0.435 190 D N -2.139 117.997 120.400 -0.441 0.000 2.310 190 D HA -0.210 4.431 4.640 0.001 0.000 0.212 190 D C 1.401 177.690 176.300 -0.018 0.000 0.965 190 D CA 1.103 55.015 54.000 -0.147 0.000 0.879 190 D CB -0.586 40.150 40.800 -0.107 0.000 0.921 190 D HN 0.421 nan 8.370 nan 0.000 0.510 191 D N 0.067 120.467 120.400 0.001 0.000 2.144 191 D HA -0.109 4.532 4.640 0.001 0.000 0.200 191 D C 1.785 178.114 176.300 0.048 0.000 0.978 191 D CA 0.599 54.602 54.000 0.005 0.000 0.833 191 D CB -0.458 40.318 40.800 -0.039 0.000 0.961 191 D HN 0.254 nan 8.370 nan 0.000 0.470 192 F N 1.603 121.524 119.950 -0.047 0.000 2.102 192 F HA -0.079 4.449 4.527 0.001 0.000 0.298 192 F C 2.556 178.336 175.800 -0.033 0.000 1.105 192 F CA 0.890 58.882 58.000 -0.014 0.000 1.239 192 F CB -0.885 38.129 39.000 0.023 0.000 0.991 192 F HN -0.083 nan 8.300 nan 0.000 0.474 193 A N -0.957 121.968 122.820 0.174 0.000 1.898 193 A HA -0.187 4.134 4.320 0.001 0.000 0.216 193 A C 2.391 179.989 177.584 0.024 0.000 1.181 193 A CA 1.855 53.939 52.037 0.078 0.000 0.620 193 A CB -1.254 17.784 19.000 0.063 0.000 0.819 193 A HN 0.347 nan 8.150 nan 0.000 0.442 194 S N -0.455 115.254 115.700 0.014 0.000 2.353 194 S HA -0.157 4.314 4.470 0.001 0.000 0.222 194 S C 1.912 176.477 174.600 -0.059 0.000 1.035 194 S CA 1.881 60.067 58.200 -0.024 0.000 1.025 194 S CB -0.605 62.577 63.200 -0.030 0.000 0.902 194 S HN 0.298 nan 8.310 nan 0.000 0.440 195 V N 1.612 121.479 119.914 -0.078 0.000 2.332 195 V HA -0.160 3.961 4.120 0.001 0.000 0.248 195 V C 2.789 178.796 176.094 -0.145 0.000 1.055 195 V CA 2.363 64.586 62.300 -0.130 0.000 1.038 195 V CB -0.927 30.799 31.823 -0.161 0.000 0.651 195 V HN 0.575 nan 8.190 nan 0.000 0.450 196 Q N 0.628 120.367 119.800 -0.101 0.000 2.050 196 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 196 Q C 1.902 177.834 176.000 -0.112 0.000 0.980 196 Q CA 2.359 58.095 55.803 -0.112 0.000 0.840 196 Q CB -0.490 28.210 28.738 -0.063 0.000 0.898 196 Q HN 0.774 nan 8.270 nan 0.000 0.424 197 N N -0.559 118.096 118.700 -0.076 0.000 2.058 197 N HA -0.132 4.609 4.740 0.001 0.000 0.191 197 N C 1.811 177.269 175.510 -0.086 0.000 1.037 197 N CA 1.404 54.416 53.050 -0.064 0.000 0.848 197 N CB -0.200 38.264 38.487 -0.038 0.000 1.021 197 N HN 0.234 nan 8.380 nan 0.000 0.422 198 I N 0.801 121.310 120.570 -0.101 0.000 2.118 198 I HA -0.276 3.895 4.170 0.001 0.000 0.241 198 I C 1.961 177.980 176.117 -0.163 0.000 1.070 198 I CA 1.073 62.304 61.300 -0.114 0.000 1.327 198 I CB -0.218 37.711 38.000 -0.117 0.000 1.034 198 I HN 0.110 nan 8.210 nan 0.000 0.405 199 I N 0.986 121.401 120.570 -0.259 0.000 2.226 199 I HA -0.306 3.864 4.170 0.001 0.000 0.245 199 I C 2.065 178.025 176.117 -0.262 0.000 1.100 199 I CA 1.765 62.796 61.300 -0.448 0.000 1.374 199 I CB -0.805 36.761 38.000 -0.723 0.000 1.057 199 I HN 0.233 nan 8.210 nan 0.000 0.413 200 N N -0.011 118.593 118.700 -0.160 0.000 2.364 200 N HA -0.153 4.587 4.740 0.001 0.000 0.183 200 N C 1.069 176.557 175.510 -0.037 0.000 1.022 200 N CA 0.980 53.986 53.050 -0.073 0.000 0.883 200 N CB -0.198 38.254 38.487 -0.058 0.000 0.965 200 N HN 0.461 nan 8.380 nan 0.000 0.438 201 N N -0.472 118.200 118.700 -0.046 0.000 2.280 201 N HA 0.029 4.770 4.740 0.001 0.000 0.192 201 N C -0.412 175.093 175.510 -0.008 0.000 1.109 201 N CA -0.141 52.895 53.050 -0.022 0.000 0.855 201 N CB 0.603 39.073 38.487 -0.027 0.000 0.974 201 N HN -0.083 nan 8.380 nan 0.000 0.482 202 S N 0.508 116.204 115.700 -0.006 0.000 2.448 202 S HA 0.094 4.565 4.470 0.001 0.000 0.279 202 S C 1.048 175.695 174.600 0.078 0.000 1.195 202 S CA -0.347 57.874 58.200 0.035 0.000 1.051 202 S CB 0.712 63.944 63.200 0.053 0.000 0.948 202 S HN 0.197 nan 8.310 nan 0.000 0.493 203 E N 3.348 123.578 120.200 0.050 0.000 2.072 203 E HA -0.144 4.207 4.350 0.001 0.000 0.191 203 E C 1.619 178.249 176.600 0.050 0.000 0.985 203 E CA 1.369 57.794 56.400 0.042 0.000 0.801 203 E CB 0.101 29.814 29.700 0.022 0.000 0.750 203 E HN 0.815 nan 8.360 nan 0.000 0.452 204 E N -0.060 120.173 120.200 0.055 0.000 2.047 204 E HA -0.188 4.163 4.350 0.001 0.000 0.191 204 E C 1.868 178.502 176.600 0.056 0.000 0.987 204 E CA 0.861 57.285 56.400 0.041 0.000 0.799 204 E CB -0.200 29.522 29.700 0.036 0.000 0.752 204 E HN 0.202 nan 8.360 nan 0.000 0.449 205 F N 1.692 121.624 119.950 -0.031 0.000 2.134 205 F HA -0.191 4.337 4.527 0.001 0.000 0.299 205 F C 2.260 178.042 175.800 -0.030 0.000 1.097 205 F CA 1.408 59.387 58.000 -0.035 0.000 1.264 205 F CB -0.264 38.710 39.000 -0.042 0.000 1.001 205 F HN -0.047 nan 8.300 nan 0.000 0.479 206 A N 0.165 123.095 122.820 0.183 0.000 1.940 206 A HA -0.093 4.228 4.320 0.001 0.000 0.219 206 A C 2.374 179.943 177.584 -0.025 0.000 1.176 206 A CA 1.824 53.915 52.037 0.090 0.000 0.631 206 A CB -1.486 17.562 19.000 0.080 0.000 0.814 206 A HN 0.493 nan 8.150 nan 0.000 0.446 207 A N -0.312 122.488 122.820 -0.033 0.000 1.897 207 A HA 0.268 4.589 4.320 0.001 0.000 0.215 207 A C 2.497 180.016 177.584 -0.108 0.000 1.181 207 A CA 1.756 53.760 52.037 -0.054 0.000 0.620 207 A CB -0.976 18.005 19.000 -0.033 0.000 0.821 207 A HN 1.019 nan 8.150 nan 0.000 0.443 208 A N -0.584 122.132 122.820 -0.173 0.000 1.908 208 A HA -0.030 4.291 4.320 0.001 0.000 0.218 208 A C 2.242 179.661 177.584 -0.275 0.000 1.181 208 A CA 1.824 53.719 52.037 -0.236 0.000 0.627 208 A CB -0.913 17.891 19.000 -0.327 0.000 0.818 208 A HN 0.364 nan 8.150 nan 0.000 0.445 209 V N -0.004 119.696 119.914 -0.357 0.000 2.358 209 V HA -0.243 3.878 4.120 0.001 0.000 0.246 209 V C 2.553 178.568 176.094 -0.131 0.000 1.047 209 V CA 2.360 64.494 62.300 -0.276 0.000 1.035 209 V CB -0.509 31.163 31.823 -0.252 0.000 0.658 209 V HN 0.661 nan 8.190 nan 0.000 0.452 210 K N 0.904 121.247 120.400 -0.095 0.000 2.063 210 K HA -0.205 4.115 4.320 0.001 0.000 0.208 210 K C 1.728 178.297 176.600 -0.051 0.000 1.048 210 K CA 1.627 57.882 56.287 -0.053 0.000 0.928 210 K CB -0.169 32.309 32.500 -0.038 0.000 0.713 210 K HN 0.546 nan 8.250 nan 0.000 0.442 211 K N 0.413 120.775 120.400 -0.064 0.000 3.025 211 K HA -0.013 4.308 4.320 0.001 0.000 0.260 211 K C 0.308 176.876 176.600 -0.052 0.000 1.023 211 K CA 0.402 56.659 56.287 -0.051 0.000 1.194 211 K CB 0.234 32.704 32.500 -0.050 0.000 1.094 211 K HN 0.038 nan 8.250 nan 0.000 0.460 212 R N -0.766 119.703 120.500 -0.052 0.000 2.518 212 R HA 0.106 4.447 4.340 0.001 0.000 0.419 212 R C 0.404 176.690 176.300 -0.022 0.000 0.902 212 R CA 0.306 56.380 56.100 -0.043 0.000 1.146 212 R CB 1.256 31.516 30.300 -0.067 0.000 1.652 212 R HN 0.557 nan 8.270 nan 0.000 0.555 213 G N 1.275 110.064 108.800 -0.018 0.000 2.358 213 G HA2 -0.279 3.682 3.960 0.001 0.000 0.224 213 G HA3 -0.279 3.682 3.960 0.001 0.000 0.224 213 G C 0.128 175.026 174.900 -0.004 0.000 1.073 213 G CA -0.168 44.929 45.100 -0.004 0.000 0.635 213 G HN 0.115 nan 8.290 nan 0.000 0.509 214 I N 3.113 123.678 120.570 -0.009 0.000 2.664 214 I HA 0.268 4.439 4.170 0.001 0.000 0.284 214 I C 2.018 178.132 176.117 -0.004 0.000 1.154 214 I CA 1.296 62.594 61.300 -0.002 0.000 1.402 214 I CB 1.209 39.209 38.000 -0.000 0.000 1.395 214 I HN 0.461 nan 8.210 nan 0.000 0.545 215 T N 0.868 115.423 114.554 0.001 0.000 2.837 215 T HA -0.010 4.341 4.350 0.001 0.000 0.248 215 T C 0.843 175.546 174.700 0.005 0.000 1.033 215 T CA 0.195 62.296 62.100 0.001 0.000 1.150 215 T CB -0.057 68.812 68.868 0.002 0.000 0.865 215 T HN 0.511 nan 8.240 nan 0.000 0.425 216 D N 1.699 122.104 120.400 0.007 0.000 2.393 216 D HA 0.491 5.132 4.640 0.001 0.000 0.232 216 D C 1.117 177.428 176.300 0.018 0.000 1.192 216 D CA -0.068 53.938 54.000 0.010 0.000 0.882 216 D CB 1.169 41.973 40.800 0.006 0.000 1.038 216 D HN 0.391 nan 8.370 nan 0.000 0.499 217 A N 4.312 127.148 122.820 0.027 0.000 2.172 217 A HA -0.142 4.179 4.320 0.001 0.000 0.216 217 A C 1.879 179.487 177.584 0.040 0.000 1.154 217 A CA 0.924 52.990 52.037 0.049 0.000 0.701 217 A CB 0.005 19.046 19.000 0.069 0.000 0.789 217 A HN 0.378 nan 8.150 nan 0.000 0.465 218 K N 0.201 120.614 120.400 0.021 0.000 2.362 218 K HA 0.001 4.322 4.320 0.001 0.000 0.200 218 K C 1.307 177.908 176.600 0.001 0.000 1.046 218 K CA 1.038 57.330 56.287 0.008 0.000 0.952 218 K CB -0.084 32.418 32.500 0.003 0.000 0.753 218 K HN 0.461 nan 8.250 nan 0.000 0.466 219 K N 0.260 120.665 120.400 0.007 0.000 2.476 219 K HA 0.111 4.432 4.320 0.001 0.000 0.196 219 K C -0.595 176.008 176.600 0.005 0.000 1.025 219 K CA -0.060 56.228 56.287 0.002 0.000 1.138 219 K CB 0.550 33.052 32.500 0.003 0.000 0.860 219 K HN -0.144 nan 8.250 nan 0.000 0.515 220 V N 2.247 122.169 119.914 0.015 0.000 2.432 220 V HA 0.174 4.294 4.120 0.001 0.000 0.271 220 V C -0.072 175.994 176.094 -0.046 0.000 1.046 220 V CA -0.612 61.704 62.300 0.027 0.000 0.945 220 V CB 0.810 32.700 31.823 0.110 0.000 0.992 220 V HN 0.064 nan 8.190 nan 0.000 0.471 221 I N 5.086 125.600 120.570 -0.094 0.000 2.321 221 I HA 0.405 4.576 4.170 0.001 0.000 0.291 221 I C 0.734 176.737 176.117 -0.190 0.000 0.998 221 I CA 0.304 61.447 61.300 -0.262 0.000 1.227 221 I CB 1.906 39.505 38.000 -0.667 0.000 1.368 221 I HN 0.801 nan 8.210 nan 0.000 0.466 222 T N 1.406 115.850 114.554 -0.182 0.000 2.943 222 T HA 0.830 5.181 4.350 0.001 0.000 0.284 222 T C -0.073 174.573 174.700 -0.090 0.000 1.015 222 T CA -0.667 61.359 62.100 -0.123 0.000 1.042 222 T CB 1.588 70.358 68.868 -0.164 0.000 1.055 222 T HN 0.626 nan 8.240 nan 0.000 0.500 223 T N -0.346 114.198 114.554 -0.018 0.000 2.921 223 T HA 0.634 4.985 4.350 0.001 0.000 0.297 223 T C -3.275 171.412 174.700 -0.022 0.000 1.013 223 T CA -1.794 60.339 62.100 0.055 0.000 0.990 223 T CB 1.841 70.854 68.868 0.243 0.000 1.023 223 T HN 0.558 nan 8.240 nan 0.000 0.447 224 P HA 0.569 nan 4.420 nan 0.000 0.292 224 P C -0.998 176.301 177.300 -0.001 0.000 1.287 224 P CA -0.672 62.306 63.100 -0.204 0.000 0.800 224 P CB 1.138 32.526 31.700 -0.520 0.000 0.945 225 L N 2.270 123.502 121.223 0.014 0.000 2.381 225 L HA 0.480 4.821 4.340 0.001 0.000 0.268 225 L C 0.955 177.825 176.870 -0.001 0.000 0.997 225 L CA -0.871 54.023 54.840 0.089 0.000 0.818 225 L CB 2.337 44.462 42.059 0.111 0.000 1.310 225 L HN 0.332 nan 8.230 nan 0.000 0.416 226 T N -1.721 112.834 114.554 0.001 0.000 2.898 226 T HA 0.197 4.548 4.350 0.001 0.000 0.301 226 T C 1.085 175.779 174.700 -0.010 0.000 1.049 226 T CA -0.418 61.643 62.100 -0.065 0.000 1.095 226 T CB 1.551 70.367 68.868 -0.086 0.000 0.976 226 T HN 0.492 nan 8.240 nan 0.000 0.539 227 V N -0.691 119.176 119.914 -0.078 0.000 3.052 227 V HA 0.503 4.623 4.120 0.001 0.000 0.254 227 V C 1.435 177.578 176.094 0.081 0.000 1.100 227 V CA 0.852 63.112 62.300 -0.066 0.000 1.112 227 V CB -1.739 29.980 31.823 -0.172 0.000 0.738 227 V HN 1.688 nan 8.190 nan 0.000 0.469 228 G N 0.119 108.919 108.800 0.000 0.000 2.542 228 G HA2 -0.242 3.719 3.960 0.001 0.000 0.235 228 G HA3 -0.242 3.719 3.960 0.001 0.000 0.235 228 G C -0.708 174.143 174.900 -0.081 0.000 1.286 228 G CA 0.294 45.364 45.100 -0.050 0.000 0.904 228 G HN 1.459 nan 8.290 nan 0.000 0.577 229 Y N -0.675 119.333 120.300 -0.487 0.000 2.401 229 Y HA 0.665 5.216 4.550 0.001 0.000 0.330 229 Y C -0.609 174.707 175.900 -0.974 0.000 1.071 229 Y CA -1.366 56.417 58.100 -0.528 0.000 1.049 229 Y CB 1.303 39.522 38.460 -0.401 0.000 1.239 229 Y HN 0.548 nan 8.280 nan 0.000 0.437 230 F N 3.768 123.082 119.950 -1.061 0.000 2.815 230 F HA 0.220 4.748 4.527 0.001 0.000 0.335 230 F C 0.595 175.672 175.800 -1.206 0.000 1.179 230 F CA -0.569 56.869 58.000 -0.937 0.000 1.204 230 F CB 0.347 39.181 39.000 -0.276 0.000 1.050 230 F HN 0.632 nan 8.300 nan 0.000 0.510 231 D N 0.997 120.167 120.400 -2.049 0.000 2.792 231 D HA -0.213 4.427 4.640 0.001 0.000 0.231 231 D C 1.470 177.515 176.300 -0.426 0.000 1.160 231 D CA 1.620 54.959 54.000 -1.102 0.000 0.697 231 D CB -0.859 39.636 40.800 -0.508 0.000 1.070 231 D HN 0.755 nan 8.370 nan 0.000 0.426 232 G N -0.902 107.671 108.800 -0.379 0.000 2.217 232 G HA2 -0.403 3.558 3.960 0.001 0.000 0.246 232 G HA3 -0.403 3.558 3.960 0.001 0.000 0.246 232 G C 1.115 175.959 174.900 -0.093 0.000 0.990 232 G CA 0.598 45.605 45.100 -0.154 0.000 0.627 232 G HN 0.528 nan 8.290 nan 0.000 0.522 233 K N 0.638 120.991 120.400 -0.079 0.000 2.280 233 K HA -0.047 4.273 4.320 0.001 0.000 0.202 233 K C 1.793 178.329 176.600 -0.106 0.000 1.047 233 K CA 1.414 57.661 56.287 -0.066 0.000 0.942 233 K CB -0.118 32.356 32.500 -0.044 0.000 0.739 233 K HN 0.656 nan 8.250 nan 0.000 0.457 234 D N -0.370 119.991 120.400 -0.064 0.000 2.340 234 D HA 0.001 4.642 4.640 0.001 0.000 0.220 234 D C 0.913 177.195 176.300 -0.030 0.000 1.039 234 D CA 0.503 54.481 54.000 -0.035 0.000 0.866 234 D CB -0.146 40.705 40.800 0.085 0.000 0.913 234 D HN 0.156 nan 8.370 nan 0.000 0.523 235 G N 0.627 109.400 108.800 -0.045 0.000 2.295 235 G HA2 -0.236 3.725 3.960 0.001 0.000 0.287 235 G HA3 -0.236 3.725 3.960 0.001 0.000 0.287 235 G C -0.279 174.597 174.900 -0.041 0.000 1.055 235 G CA 0.298 45.373 45.100 -0.042 0.000 0.922 235 G HN 0.418 nan 8.290 nan 0.000 0.503 236 L N -0.396 120.803 121.223 -0.041 0.000 2.356 236 L HA 0.448 4.789 4.340 0.001 0.000 0.277 236 L C 0.788 177.640 176.870 -0.029 0.000 0.996 236 L CA -1.159 53.655 54.840 -0.043 0.000 0.822 236 L CB 1.944 43.970 42.059 -0.055 0.000 1.256 236 L HN 0.251 nan 8.230 nan 0.000 0.413 237 K N 2.502 122.888 120.400 -0.024 0.000 2.419 237 K HA -0.075 4.246 4.320 0.001 0.000 0.282 237 K C 0.774 177.382 176.600 0.015 0.000 1.056 237 K CA -0.040 56.245 56.287 -0.003 0.000 1.035 237 K CB 0.947 33.444 32.500 -0.005 0.000 0.921 237 K HN 0.568 nan 8.250 nan 0.000 0.472 238 Q N 3.163 122.992 119.800 0.048 0.000 2.364 238 Q HA -0.196 4.145 4.340 0.001 0.000 0.209 238 Q C 1.063 177.147 176.000 0.140 0.000 0.977 238 Q CA 1.802 57.662 55.803 0.095 0.000 0.885 238 Q CB 0.057 28.873 28.738 0.130 0.000 0.941 238 Q HN 0.812 nan 8.270 nan 0.000 0.464 239 D N -0.774 119.681 120.400 0.092 0.000 2.213 239 D HA 0.031 4.671 4.640 0.001 0.000 0.205 239 D C -0.095 176.269 176.300 0.108 0.000 0.961 239 D CA 0.690 54.742 54.000 0.088 0.000 0.853 239 D CB 0.070 40.893 40.800 0.040 0.000 0.967 239 D HN 0.306 nan 8.370 nan 0.000 0.496 240 A N 0.751 123.612 122.820 0.068 0.000 2.351 240 A HA 0.286 4.607 4.320 0.001 0.000 0.257 240 A C 0.443 178.054 177.584 0.044 0.000 1.087 240 A CA -0.329 51.726 52.037 0.031 0.000 0.798 240 A CB 0.374 19.363 19.000 -0.017 0.000 1.033 240 A HN 0.202 nan 8.150 nan 0.000 0.488 241 R N 2.207 122.709 120.500 0.004 0.000 2.248 241 R HA 0.478 4.818 4.340 0.001 0.000 0.337 241 R C -1.149 175.093 176.300 -0.097 0.000 1.106 241 R CA -0.018 56.066 56.100 -0.025 0.000 0.959 241 R CB -0.356 29.925 30.300 -0.031 0.000 1.075 241 R HN 0.683 nan 8.270 nan 0.000 0.480 242 L N 4.773 125.905 121.223 -0.151 0.000 2.286 242 L HA 0.676 5.017 4.340 0.001 0.000 0.265 242 L C -0.562 176.201 176.870 -0.179 0.000 1.012 242 L CA -1.328 53.419 54.840 -0.155 0.000 0.818 242 L CB 1.834 43.798 42.059 -0.159 0.000 1.337 242 L HN 0.493 nan 8.230 nan 0.000 0.438 243 L N 0.739 121.855 121.223 -0.179 0.000 2.505 243 L HA 0.456 4.796 4.340 0.001 0.000 0.259 243 L C -0.927 175.819 176.870 -0.208 0.000 0.952 243 L CA -0.668 54.059 54.840 -0.188 0.000 0.840 243 L CB 2.753 44.702 42.059 -0.183 0.000 1.358 243 L HN 0.500 nan 8.230 nan 0.000 0.409 244 K N 1.164 121.423 120.400 -0.235 0.000 2.098 244 K HA 0.762 5.083 4.320 0.001 0.000 0.258 244 K C -1.240 175.260 176.600 -0.165 0.000 0.973 244 K CA -0.719 55.394 56.287 -0.291 0.000 0.898 244 K CB 2.403 34.531 32.500 -0.619 0.000 1.057 244 K HN 0.223 nan 8.250 nan 0.000 0.447 245 V N 3.963 123.793 119.914 -0.139 0.000 2.531 245 V HA 0.358 4.479 4.120 0.001 0.000 0.301 245 V C -0.508 175.555 176.094 -0.052 0.000 1.034 245 V CA -0.952 61.289 62.300 -0.098 0.000 0.865 245 V CB 1.506 33.240 31.823 -0.148 0.000 0.995 245 V HN 0.604 nan 8.190 nan 0.000 0.424 246 I N 3.256 123.797 120.570 -0.049 0.000 2.412 246 I HA 0.587 4.757 4.170 0.001 0.000 0.296 246 I C 0.348 176.367 176.117 -0.165 0.000 0.987 246 I CA 0.171 61.400 61.300 -0.118 0.000 1.180 246 I CB 1.988 39.899 38.000 -0.149 0.000 1.340 246 I HN 0.620 nan 8.210 nan 0.000 0.455 247 S N 5.296 120.840 115.700 -0.261 0.000 2.600 247 S HA 0.786 5.257 4.470 0.001 0.000 0.300 247 S C -1.166 173.127 174.600 -0.510 0.000 1.087 247 S CA -0.512 57.556 58.200 -0.219 0.000 0.965 247 S CB 2.089 65.328 63.200 0.064 0.000 1.089 247 S HN 0.367 nan 8.310 nan 0.000 0.496 248 Y N 0.177 120.482 120.300 0.008 0.000 2.609 248 Y HA 0.641 5.192 4.550 0.001 0.000 0.342 248 Y C -0.743 175.194 175.900 0.062 0.000 1.058 248 Y CA -1.127 57.021 58.100 0.079 0.000 1.055 248 Y CB 1.021 39.557 38.460 0.127 0.000 1.292 248 Y HN 0.464 nan 8.280 nan 0.000 0.476 249 L N 2.442 123.842 121.223 0.294 0.000 2.282 249 L HA 0.408 4.749 4.340 0.001 0.000 0.288 249 L C -0.609 176.340 176.870 0.132 0.000 1.033 249 L CA -0.443 54.491 54.840 0.157 0.000 0.807 249 L CB 0.808 42.934 42.059 0.112 0.000 1.209 249 L HN 0.580 nan 8.230 nan 0.000 0.423 250 D N 3.892 124.329 120.400 0.062 0.000 2.336 250 D HA 0.090 4.731 4.640 0.001 0.000 0.249 250 D C 0.355 176.630 176.300 -0.041 0.000 1.213 250 D CA 0.077 54.105 54.000 0.047 0.000 0.870 250 D CB 1.335 42.149 40.800 0.024 0.000 1.076 250 D HN 0.414 nan 8.370 nan 0.000 0.483 251 V N 3.162 122.997 119.914 -0.132 0.000 3.621 251 V HA 0.209 4.330 4.120 0.001 0.000 0.285 251 V C 1.731 177.774 176.094 -0.085 0.000 1.346 251 V CA 0.519 62.708 62.300 -0.184 0.000 1.104 251 V CB 0.040 31.585 31.823 -0.462 0.000 0.913 251 V HN 0.894 nan 8.190 nan 0.000 0.432 252 G N 2.101 110.880 108.800 -0.034 0.000 2.157 252 G HA2 -0.251 3.710 3.960 0.001 0.000 0.248 252 G HA3 -0.251 3.710 3.960 0.001 0.000 0.248 252 G C 0.385 175.273 174.900 -0.019 0.000 0.979 252 G CA 0.440 45.529 45.100 -0.018 0.000 0.650 252 G HN 0.696 nan 8.290 nan 0.000 0.529 253 D N -0.198 120.199 120.400 -0.006 0.000 2.342 253 D HA 0.390 5.031 4.640 0.001 0.000 0.221 253 D C 1.748 177.994 176.300 -0.091 0.000 1.101 253 D CA 0.363 54.350 54.000 -0.022 0.000 0.837 253 D CB -0.538 40.293 40.800 0.050 0.000 0.938 253 D HN 1.501 nan 8.370 nan 0.000 0.508 254 G N 0.878 109.640 108.800 -0.063 0.000 2.166 254 G HA2 -0.343 3.618 3.960 0.001 0.000 0.260 254 G HA3 -0.343 3.618 3.960 0.001 0.000 0.260 254 G C 0.199 175.031 174.900 -0.112 0.000 0.986 254 G CA 0.296 45.328 45.100 -0.114 0.000 0.683 254 G HN 0.585 nan 8.290 nan 0.000 0.527 255 N N -0.200 118.507 118.700 0.012 0.000 2.752 255 N HA 0.364 5.104 4.740 0.001 0.000 0.260 255 N C 1.010 176.612 175.510 0.154 0.000 1.562 255 N CA -0.477 52.635 53.050 0.102 0.000 0.788 255 N CB -0.076 38.484 38.487 0.122 0.000 1.192 255 N HN 0.346 nan 8.380 nan 0.000 0.503 256 Y N -0.692 119.671 120.300 0.106 0.000 2.403 256 Y HA 0.042 4.593 4.550 0.002 0.000 0.291 256 Y C 1.155 177.010 175.900 -0.075 0.000 1.143 256 Y CA 0.504 58.647 58.100 0.072 0.000 1.257 256 Y CB -0.719 37.654 38.460 -0.144 0.000 0.984 256 Y HN 0.273 nan 8.280 nan 0.000 0.550 257 W N 1.159 122.208 121.300 -0.418 0.000 2.387 257 W HA -0.013 4.647 4.660 0.001 0.000 0.272 257 W C 2.220 178.792 176.519 0.088 0.000 1.224 257 W CA 1.323 58.415 57.345 -0.422 0.000 1.210 257 W CB -0.207 29.027 29.460 -0.376 0.000 1.125 257 W HN 0.193 nan 8.180 nan 0.000 0.572 258 A N -0.868 122.100 122.820 0.246 0.000 2.278 258 A HA 0.064 4.384 4.320 0.001 0.000 0.212 258 A C 0.162 177.565 177.584 -0.301 0.000 1.213 258 A CA 0.346 52.480 52.037 0.161 0.000 0.840 258 A CB -0.603 18.355 19.000 -0.071 0.000 0.866 258 A HN 0.337 nan 8.150 nan 0.000 0.489 259 H N 0.381 119.721 119.070 0.450 0.000 2.439 259 H HA 0.212 4.769 4.556 0.001 0.000 0.228 259 H C -3.016 172.555 175.328 0.404 0.000 1.423 259 H CA -1.851 54.414 56.048 0.362 0.000 1.386 259 H CB 0.107 30.033 29.762 0.273 0.000 1.641 259 H HN 0.290 nan 8.280 nan 0.000 0.508 260 P HA 0.092 nan 4.420 nan 0.000 0.269 260 P C 0.419 177.761 177.300 0.070 0.000 1.209 260 P CA -0.015 63.198 63.100 0.189 0.000 0.776 260 P CB 1.537 33.357 31.700 0.200 0.000 0.876 261 I N 1.659 122.179 120.570 -0.083 0.000 2.442 261 I HA 0.199 4.370 4.170 0.001 0.000 0.279 261 I C 0.846 176.932 176.117 -0.052 0.000 1.081 261 I CA -0.696 60.582 61.300 -0.036 0.000 1.197 261 I CB 0.332 38.300 38.000 -0.053 0.000 1.394 261 I HN 0.241 nan 8.210 nan 0.000 0.488 262 E N 4.547 124.755 120.200 0.013 0.000 2.392 262 E HA 0.053 4.404 4.350 0.001 0.000 0.264 262 E C 0.221 176.844 176.600 0.039 0.000 1.024 262 E CA 0.679 57.111 56.400 0.052 0.000 0.903 262 E CB 0.213 29.979 29.700 0.110 0.000 0.963 262 E HN 0.534 nan 8.360 nan 0.000 0.432 263 N N 0.952 119.691 118.700 0.064 0.000 2.818 263 N HA -0.246 4.495 4.740 0.001 0.000 0.250 263 N C -1.249 174.266 175.510 0.009 0.000 1.108 263 N CA 0.255 53.339 53.050 0.056 0.000 0.745 263 N CB -0.975 37.544 38.487 0.054 0.000 1.104 263 N HN 0.212 nan 8.380 nan 0.000 0.557 264 L N 0.646 121.859 121.223 -0.018 0.000 2.406 264 L HA 0.626 4.966 4.340 0.001 0.000 0.270 264 L C -1.208 175.658 176.870 -0.006 0.000 0.982 264 L CA -0.801 54.012 54.840 -0.045 0.000 0.843 264 L CB 1.868 43.855 42.059 -0.120 0.000 1.225 264 L HN -0.120 nan 8.230 nan 0.000 0.412 265 V N 4.314 124.234 119.914 0.010 0.000 2.531 265 V HA 0.893 5.014 4.120 0.001 0.000 0.301 265 V C 0.077 176.179 176.094 0.013 0.000 1.034 265 V CA -0.383 61.918 62.300 0.002 0.000 0.865 265 V CB 1.468 33.269 31.823 -0.037 0.000 0.995 265 V HN 0.897 nan 8.190 nan 0.000 0.424 266 A N 4.335 127.176 122.820 0.035 0.000 2.324 266 A HA 0.891 5.212 4.320 0.001 0.000 0.330 266 A C -0.705 176.825 177.584 -0.091 0.000 1.165 266 A CA -0.593 51.459 52.037 0.026 0.000 0.813 266 A CB 1.593 20.637 19.000 0.072 0.000 1.197 266 A HN 0.698 nan 8.150 nan 0.000 0.484 267 V N 2.751 122.604 119.914 -0.101 0.000 2.370 267 V HA 0.423 4.544 4.120 0.001 0.000 0.283 267 V C -0.286 175.737 176.094 -0.119 0.000 1.023 267 V CA -0.440 61.773 62.300 -0.145 0.000 0.857 267 V CB 1.278 33.014 31.823 -0.145 0.000 0.985 267 V HN 0.628 nan 8.190 nan 0.000 0.443 268 V N 3.711 123.544 119.914 -0.135 0.000 2.459 268 V HA 0.402 4.522 4.120 0.001 0.000 0.295 268 V C -0.201 175.826 176.094 -0.112 0.000 1.029 268 V CA -0.588 61.640 62.300 -0.120 0.000 0.874 268 V CB 1.996 33.737 31.823 -0.136 0.000 0.985 268 V HN 0.881 nan 8.190 nan 0.000 0.438 269 D N 3.913 124.258 120.400 -0.091 0.000 2.359 269 D HA 0.269 4.910 4.640 0.001 0.000 0.230 269 D C 0.928 177.181 176.300 -0.079 0.000 1.118 269 D CA -0.216 53.736 54.000 -0.081 0.000 0.844 269 D CB 1.619 42.381 40.800 -0.064 0.000 1.059 269 D HN 0.445 nan 8.370 nan 0.000 0.493 270 L N 2.930 124.102 121.223 -0.084 0.000 2.191 270 L HA -0.100 4.241 4.340 0.001 0.000 0.212 270 L C 2.128 178.959 176.870 -0.066 0.000 1.103 270 L CA 0.852 55.646 54.840 -0.078 0.000 0.769 270 L CB -0.016 41.992 42.059 -0.085 0.000 0.908 270 L HN 0.461 nan 8.230 nan 0.000 0.438 271 E N -0.468 119.692 120.200 -0.066 0.000 2.122 271 E HA -0.148 4.202 4.350 0.001 0.000 0.190 271 E C 2.063 178.635 176.600 -0.046 0.000 0.977 271 E CA 0.491 56.855 56.400 -0.059 0.000 0.820 271 E CB 0.101 29.759 29.700 -0.069 0.000 0.770 271 E HN 0.521 nan 8.360 nan 0.000 0.462 272 Q N 0.484 120.256 119.800 -0.046 0.000 2.378 272 Q HA -0.036 4.304 4.340 0.001 0.000 0.205 272 Q C -0.182 175.795 176.000 -0.039 0.000 0.954 272 Q CA 0.351 56.131 55.803 -0.038 0.000 0.901 272 Q CB 0.273 28.988 28.738 -0.038 0.000 0.981 272 Q HN 0.037 nan 8.270 nan 0.000 0.483 273 K N 1.094 121.466 120.400 -0.047 0.000 3.150 273 K HA -0.204 4.117 4.320 0.001 0.000 0.267 273 K C -0.674 175.896 176.600 -0.050 0.000 1.028 273 K CA 1.083 57.341 56.287 -0.048 0.000 0.753 273 K CB -1.661 30.817 32.500 -0.037 0.000 1.288 273 K HN 0.429 nan 8.250 nan 0.000 0.473 274 K N -1.456 118.911 120.400 -0.056 0.000 2.579 274 K HA 0.466 4.787 4.320 0.001 0.000 0.284 274 K C -0.586 175.977 176.600 -0.062 0.000 0.990 274 K CA -1.093 55.161 56.287 -0.054 0.000 0.880 274 K CB 1.164 33.641 32.500 -0.039 0.000 1.488 274 K HN 0.001 nan 8.250 nan 0.000 0.425 275 I N 3.247 123.783 120.570 -0.056 0.000 2.436 275 I HA -0.013 4.158 4.170 0.001 0.000 0.289 275 I C 1.223 177.317 176.117 -0.039 0.000 1.083 275 I CA -0.467 60.802 61.300 -0.052 0.000 1.372 275 I CB 1.280 39.264 38.000 -0.026 0.000 1.408 275 I HN 0.599 nan 8.210 nan 0.000 0.516 276 V N 2.712 122.597 119.914 -0.049 0.000 3.506 276 V HA 0.246 4.367 4.120 0.001 0.000 0.263 276 V C 0.565 176.636 176.094 -0.038 0.000 1.203 276 V CA 0.438 62.713 62.300 -0.042 0.000 1.133 276 V CB -0.574 31.220 31.823 -0.049 0.000 0.802 276 V HN 0.795 nan 8.190 nan 0.000 0.459 277 K N 0.236 120.613 120.400 -0.039 0.000 2.589 277 K HA 0.560 4.880 4.320 0.001 0.000 0.265 277 K C -2.069 174.517 176.600 -0.023 0.000 0.935 277 K CA -0.725 55.542 56.287 -0.034 0.000 0.850 277 K CB 2.502 34.972 32.500 -0.049 0.000 1.372 277 K HN 0.189 nan 8.250 nan 0.000 0.420 278 I N 3.339 123.904 120.570 -0.008 0.000 2.410 278 I HA 0.257 4.428 4.170 0.001 0.000 0.286 278 I C -0.663 175.447 176.117 -0.010 0.000 1.009 278 I CA -0.691 60.614 61.300 0.009 0.000 1.111 278 I CB 1.947 39.961 38.000 0.024 0.000 1.262 278 I HN 0.556 nan 8.210 nan 0.000 0.443 279 E N 6.173 126.366 120.200 -0.012 0.000 2.134 279 E HA 0.373 4.724 4.350 0.001 0.000 0.278 279 E C -0.894 175.703 176.600 -0.004 0.000 0.959 279 E CA -0.441 55.957 56.400 -0.004 0.000 0.783 279 E CB 1.711 31.419 29.700 0.013 0.000 1.095 279 E HN 0.506 nan 8.360 nan 0.000 0.399 280 E N 1.380 121.574 120.200 -0.009 0.000 2.212 280 E HA 0.536 4.886 4.350 0.001 0.000 0.268 280 E C -0.271 176.328 176.600 -0.001 0.000 0.902 280 E CA -0.705 55.683 56.400 -0.019 0.000 0.779 280 E CB 2.121 31.798 29.700 -0.038 0.000 1.172 280 E HN 0.548 nan 8.360 nan 0.000 0.409 281 G N 1.921 110.725 108.800 0.006 0.000 3.251 281 G HA2 0.530 4.491 3.960 0.001 0.000 0.248 281 G HA3 0.530 4.491 3.960 0.001 0.000 0.248 281 G C -2.614 172.292 174.900 0.011 0.000 1.320 281 G CA -1.248 43.863 45.100 0.020 0.000 0.982 281 G HN 0.287 nan 8.290 nan 0.000 0.575 282 P HA 0.255 nan 4.420 nan 0.000 0.266 282 P C -0.266 177.041 177.300 0.012 0.000 1.195 282 P CA -0.329 62.779 63.100 0.014 0.000 0.768 282 P CB 0.944 32.657 31.700 0.021 0.000 0.838 283 V N 4.276 124.192 119.914 0.004 0.000 2.470 283 V HA 0.095 4.216 4.120 0.001 0.000 0.276 283 V C 0.354 176.456 176.094 0.013 0.000 1.040 283 V CA 0.033 62.333 62.300 0.000 0.000 1.008 283 V CB 0.893 32.711 31.823 -0.008 0.000 0.990 283 V HN 0.230 nan 8.190 nan 0.000 0.477 284 V N 7.809 127.735 119.914 0.021 0.000 2.409 284 V HA 0.367 4.487 4.120 0.001 0.000 0.291 284 V C -2.240 173.877 176.094 0.038 0.000 1.020 284 V CA -2.046 60.273 62.300 0.033 0.000 0.848 284 V CB 1.758 33.609 31.823 0.047 0.000 0.990 284 V HN 0.745 nan 8.190 nan 0.000 0.430 285 P HA 0.056 nan 4.420 nan 0.000 0.261 285 P C -0.236 177.107 177.300 0.072 0.000 1.183 285 P CA 0.049 63.178 63.100 0.047 0.000 0.761 285 P CB 0.304 32.030 31.700 0.044 0.000 0.785 286 V N 6.915 126.879 119.914 0.082 0.000 2.540 286 V HA 0.037 4.158 4.120 0.001 0.000 0.297 286 V C -1.786 174.408 176.094 0.166 0.000 1.024 286 V CA -1.010 61.366 62.300 0.127 0.000 1.105 286 V CB -0.182 31.717 31.823 0.128 0.000 0.938 286 V HN 0.559 nan 8.190 nan 0.000 0.482 287 P HA 0.138 nan 4.420 nan 0.000 0.265 287 P C 0.472 177.995 177.300 0.371 0.000 1.222 287 P CA 0.143 63.383 63.100 0.234 0.000 0.767 287 P CB 0.437 32.260 31.700 0.205 0.000 0.801 288 M N 0.202 119.973 119.600 0.285 0.000 2.534 288 M HA 0.044 4.525 4.480 0.001 0.000 0.263 288 M C 0.534 177.002 176.300 0.280 0.000 1.152 288 M CA 0.682 56.136 55.300 0.257 0.000 1.145 288 M CB -1.063 31.612 32.600 0.125 0.000 1.333 288 M HN 0.151 nan 8.290 nan 0.000 0.477 289 T N 2.709 117.425 114.554 0.270 0.000 2.867 289 T HA 0.159 4.510 4.350 0.001 0.000 0.290 289 T C 0.441 175.334 174.700 0.321 0.000 1.025 289 T CA -0.033 62.213 62.100 0.244 0.000 1.146 289 T CB 0.246 69.249 68.868 0.225 0.000 1.024 289 T HN 0.372 nan 8.240 nan 0.000 0.519 290 A N 4.295 127.242 122.820 0.211 0.000 2.488 290 A HA 0.396 4.716 4.320 0.001 0.000 0.249 290 A C 0.796 178.474 177.584 0.156 0.000 1.083 290 A CA -0.248 51.904 52.037 0.192 0.000 0.768 290 A CB 0.221 19.275 19.000 0.090 0.000 1.017 290 A HN 0.711 nan 8.150 nan 0.000 0.496 291 R N 2.658 123.242 120.500 0.140 0.000 2.638 291 R HA 0.242 4.582 4.340 0.001 0.000 0.261 291 R C -3.075 173.184 176.300 -0.069 0.000 1.515 291 R CA -1.438 54.668 56.100 0.010 0.000 1.623 291 R CB 0.956 31.245 30.300 -0.017 0.000 1.347 291 R HN 0.535 nan 8.270 nan 0.000 0.705 292 P HA 0.068 nan 4.420 nan 0.000 0.271 292 P C 0.219 177.410 177.300 -0.182 0.000 1.218 292 P CA -0.077 62.900 63.100 -0.205 0.000 0.780 292 P CB 0.298 31.890 31.700 -0.180 0.000 0.901 293 F N -0.095 119.777 119.950 -0.130 0.000 2.706 293 F HA 0.247 4.775 4.527 0.001 0.000 0.313 293 F C 0.932 176.671 175.800 -0.101 0.000 1.096 293 F CA -0.423 57.488 58.000 -0.149 0.000 1.219 293 F CB -0.779 38.102 39.000 -0.199 0.000 1.051 293 F HN 0.097 nan 8.300 nan 0.000 0.568 294 D N 0.148 120.358 120.400 -0.317 0.000 2.328 294 D HA 0.192 4.833 4.640 0.001 0.000 0.226 294 D C 1.885 178.145 176.300 -0.066 0.000 1.066 294 D CA 0.562 54.483 54.000 -0.133 0.000 0.861 294 D CB -0.150 40.503 40.800 -0.245 0.000 0.912 294 D HN 0.483 nan 8.370 nan 0.000 0.521 295 G N 1.728 110.493 108.800 -0.058 0.000 2.179 295 G HA2 -0.450 3.511 3.960 0.001 0.000 0.260 295 G HA3 -0.450 3.511 3.960 0.001 0.000 0.260 295 G C 1.259 176.132 174.900 -0.045 0.000 0.977 295 G CA 0.514 45.592 45.100 -0.037 0.000 0.641 295 G HN 0.582 nan 8.290 nan 0.000 0.533 296 R N 0.591 121.050 120.500 -0.068 0.000 2.117 296 R HA -0.114 4.227 4.340 0.001 0.000 0.243 296 R C 1.619 177.897 176.300 -0.037 0.000 1.143 296 R CA 2.083 58.150 56.100 -0.055 0.000 0.968 296 R CB -0.599 29.659 30.300 -0.070 0.000 0.863 296 R HN 0.466 nan 8.270 nan 0.000 0.444 297 D N 0.106 120.485 120.400 -0.036 0.000 2.340 297 D HA 0.040 4.681 4.640 0.001 0.000 0.217 297 D C 0.011 176.303 176.300 -0.013 0.000 1.081 297 D CA -0.133 53.855 54.000 -0.020 0.000 0.842 297 D CB 0.143 40.933 40.800 -0.017 0.000 0.934 297 D HN 0.076 nan 8.370 nan 0.000 0.511 298 R N 0.112 120.603 120.500 -0.015 0.000 2.828 298 R HA 0.535 4.876 4.340 0.001 0.000 0.264 298 R C -0.426 175.871 176.300 -0.005 0.000 1.022 298 R CA -1.068 55.027 56.100 -0.008 0.000 1.021 298 R CB 1.612 31.908 30.300 -0.008 0.000 1.163 298 R HN -0.117 nan 8.270 nan 0.000 0.494 299 V N 1.595 121.508 119.914 -0.001 0.000 2.530 299 V HA 0.215 4.335 4.120 0.001 0.000 0.282 299 V C 0.482 176.576 176.094 -0.000 0.000 1.048 299 V CA -0.560 61.740 62.300 0.000 0.000 0.997 299 V CB 1.226 33.051 31.823 0.003 0.000 0.987 299 V HN 0.840 nan 8.190 nan 0.000 0.477 300 A N 8.348 131.168 122.820 -0.000 0.000 2.395 300 A HA 0.575 4.896 4.320 0.001 0.000 0.286 300 A C -1.510 176.075 177.584 0.002 0.000 1.193 300 A CA -1.040 50.997 52.037 0.000 0.000 0.852 300 A CB -0.391 18.609 19.000 -0.000 0.000 1.118 300 A HN 0.740 nan 8.150 nan 0.000 0.524 301 P HA 0.377 nan 4.420 nan 0.000 0.271 301 P C -0.346 176.956 177.300 0.003 0.000 1.218 301 P CA -0.104 62.998 63.100 0.003 0.000 0.780 301 P CB 1.033 32.734 31.700 0.003 0.000 0.901 302 A N 2.352 125.174 122.820 0.004 0.000 2.289 302 A HA 0.556 4.877 4.320 0.001 0.000 0.298 302 A C -0.312 177.274 177.584 0.004 0.000 1.208 302 A CA -0.449 51.591 52.037 0.004 0.000 0.845 302 A CB 0.393 19.396 19.000 0.004 0.000 1.125 302 A HN 0.361 nan 8.150 nan 0.000 0.517 303 V N 3.055 122.972 119.914 0.004 0.000 2.789 303 V HA 0.332 4.452 4.120 0.001 0.000 0.311 303 V C -0.097 176.000 176.094 0.004 0.000 1.073 303 V CA -0.955 61.347 62.300 0.003 0.000 0.921 303 V CB 2.052 33.877 31.823 0.003 0.000 1.009 303 V HN 0.959 nan 8.190 nan 0.000 0.426 304 K N 3.799 124.200 120.400 0.002 0.000 2.185 304 K HA 0.446 4.767 4.320 0.001 0.000 0.271 304 K C -2.276 174.326 176.600 0.004 0.000 1.013 304 K CA -1.310 54.979 56.287 0.003 0.000 0.943 304 K CB 0.545 33.045 32.500 -0.001 0.000 0.998 304 K HN 0.504 nan 8.250 nan 0.000 0.468 305 P HA 0.001 nan 4.420 nan 0.000 0.268 305 P C -1.009 176.296 177.300 0.009 0.000 1.205 305 P CA 0.111 63.218 63.100 0.012 0.000 0.771 305 P CB 0.594 32.304 31.700 0.018 0.000 0.858 306 M N 2.375 121.981 119.600 0.011 0.000 2.213 306 M HA 0.258 4.739 4.480 0.001 0.000 0.286 306 M C -1.517 174.792 176.300 0.016 0.000 1.008 306 M CA -0.260 55.045 55.300 0.008 0.000 0.937 306 M CB 1.947 34.547 32.600 0.001 0.000 1.600 306 M HN 0.323 nan 8.290 nan 0.000 0.450 307 Q N 4.511 124.325 119.800 0.024 0.000 2.397 307 Q HA 0.624 4.965 4.340 0.001 0.000 0.275 307 Q C -1.317 174.705 176.000 0.037 0.000 1.090 307 Q CA -0.781 55.045 55.803 0.039 0.000 0.809 307 Q CB 3.359 32.138 28.738 0.068 0.000 1.362 307 Q HN 0.723 nan 8.270 nan 0.000 0.431 308 I N 3.964 124.559 120.570 0.042 0.000 2.328 308 I HA 0.409 4.580 4.170 0.001 0.000 0.287 308 I C -0.267 175.888 176.117 0.063 0.000 1.012 308 I CA -0.606 60.718 61.300 0.040 0.000 1.195 308 I CB 0.514 38.536 38.000 0.038 0.000 1.350 308 I HN 0.501 nan 8.210 nan 0.000 0.464 309 I N 2.581 123.175 120.570 0.040 0.000 2.740 309 I HA 0.605 4.776 4.170 0.001 0.000 0.303 309 I C -0.755 175.318 176.117 -0.073 0.000 1.044 309 I CA -0.597 60.714 61.300 0.019 0.000 1.064 309 I CB 2.238 40.253 38.000 0.025 0.000 1.249 309 I HN 0.481 nan 8.210 nan 0.000 0.433 310 E N 5.083 125.211 120.200 -0.120 0.000 2.873 310 E HA 0.245 4.596 4.350 0.001 0.000 0.232 310 E C -2.131 174.298 176.600 -0.285 0.000 1.123 310 E CA -1.525 54.796 56.400 -0.132 0.000 0.809 310 E CB 1.314 30.999 29.700 -0.026 0.000 1.366 310 E HN 0.546 nan 8.360 nan 0.000 0.400 311 P HA -0.170 nan 4.420 nan 0.000 0.221 311 P C 0.399 177.562 177.300 -0.228 0.000 1.145 311 P CA 1.161 63.800 63.100 -0.768 0.000 0.795 311 P CB 0.385 31.642 31.700 -0.738 0.000 0.775 312 E N -0.615 119.505 120.200 -0.132 0.000 2.501 312 E HA 0.373 4.724 4.350 0.001 0.000 0.200 312 E C 0.793 177.377 176.600 -0.027 0.000 1.016 312 E CA -0.030 56.341 56.400 -0.048 0.000 0.921 312 E CB 0.285 29.958 29.700 -0.045 0.000 1.034 312 E HN 0.197 nan 8.360 nan 0.000 0.468 313 G N 1.360 110.144 108.800 -0.027 0.000 2.566 313 G HA2 -0.156 3.804 3.960 0.001 0.000 0.599 313 G HA3 -0.156 3.804 3.960 0.001 0.000 0.599 313 G C -0.932 173.911 174.900 -0.096 0.000 1.292 313 G CA -1.019 44.060 45.100 -0.034 0.000 0.922 313 G HN -0.067 nan 8.290 nan 0.000 0.514 314 K N -0.108 120.170 120.400 -0.204 0.000 2.090 314 K HA 0.419 4.739 4.320 0.001 0.000 0.249 314 K C 1.033 177.463 176.600 -0.284 0.000 0.995 314 K CA -0.643 55.411 56.287 -0.388 0.000 0.914 314 K CB 0.782 32.655 32.500 -1.046 0.000 1.057 314 K HN 0.525 nan 8.250 nan 0.000 0.462 315 N N -0.354 118.248 118.700 -0.163 0.000 2.353 315 N HA -0.003 4.738 4.740 0.001 0.000 0.185 315 N C -0.487 175.134 175.510 0.184 0.000 1.098 315 N CA 0.165 53.254 53.050 0.064 0.000 0.872 315 N CB -0.008 38.605 38.487 0.210 0.000 0.970 315 N HN 0.467 nan 8.380 nan 0.000 0.467 316 Y N -1.652 118.788 120.300 0.233 0.000 2.534 316 Y HA 0.736 5.286 4.550 0.001 0.000 0.329 316 Y C -0.094 175.829 175.900 0.037 0.000 1.154 316 Y CA -1.181 57.027 58.100 0.180 0.000 1.192 316 Y CB 0.671 39.190 38.460 0.099 0.000 1.275 316 Y HN -0.332 nan 8.280 nan 0.000 0.491 317 T N 2.998 117.679 114.554 0.211 0.000 2.876 317 T HA 0.563 4.914 4.350 0.001 0.000 0.289 317 T C -0.712 173.988 174.700 -0.001 0.000 1.014 317 T CA -0.615 61.525 62.100 0.067 0.000 0.986 317 T CB 0.996 69.918 68.868 0.091 0.000 1.021 317 T HN 0.583 nan 8.240 nan 0.000 0.458 318 I N 2.961 123.447 120.570 -0.140 0.000 2.405 318 I HA 0.265 4.436 4.170 0.001 0.000 0.280 318 I C -0.051 176.049 176.117 -0.028 0.000 1.027 318 I CA -0.607 60.586 61.300 -0.178 0.000 1.161 318 I CB 1.143 38.893 38.000 -0.415 0.000 1.300 318 I HN 0.519 nan 8.210 nan 0.000 0.463 319 T N 5.108 119.660 114.554 -0.003 0.000 2.781 319 T HA 0.509 4.860 4.350 0.001 0.000 0.305 319 T C 0.881 175.611 174.700 0.049 0.000 1.001 319 T CA 0.271 62.401 62.100 0.050 0.000 0.950 319 T CB 1.310 70.206 68.868 0.046 0.000 0.955 319 T HN 1.013 nan 8.240 nan 0.000 0.471 320 G N 4.185 113.034 108.800 0.082 0.000 2.574 320 G HA2 -0.273 3.688 3.960 0.001 0.000 0.301 320 G HA3 -0.273 3.688 3.960 0.001 0.000 0.301 320 G C 0.273 175.167 174.900 -0.010 0.000 1.166 320 G CA 0.358 45.491 45.100 0.055 0.000 0.971 320 G HN 0.643 nan 8.290 nan 0.000 0.542 321 D N 0.923 121.250 120.400 -0.122 0.000 2.431 321 D HA 0.229 4.869 4.640 0.001 0.000 0.213 321 D C 0.836 176.861 176.300 -0.457 0.000 1.130 321 D CA -0.034 53.769 54.000 -0.328 0.000 0.834 321 D CB 0.196 40.659 40.800 -0.562 0.000 0.985 321 D HN 0.196 nan 8.370 nan 0.000 0.504 322 M N 1.300 120.746 119.600 -0.256 0.000 2.146 322 M HA 0.336 4.816 4.480 0.001 0.000 0.357 322 M C 0.069 176.197 176.300 -0.287 0.000 1.261 322 M CA -0.181 54.980 55.300 -0.231 0.000 1.106 322 M CB 1.599 34.192 32.600 -0.012 0.000 1.612 322 M HN -0.204 nan 8.290 nan 0.000 0.470 323 I N 2.862 123.105 120.570 -0.546 0.000 2.377 323 I HA 0.233 4.404 4.170 0.001 0.000 0.293 323 I C -0.410 175.491 176.117 -0.360 0.000 0.987 323 I CA -0.617 60.312 61.300 -0.618 0.000 1.185 323 I CB 1.393 38.649 38.000 -1.241 0.000 1.341 323 I HN 0.622 nan 8.210 nan 0.000 0.455 324 H N 5.714 124.696 119.070 -0.147 0.000 2.547 324 H HA 0.455 5.011 4.556 0.001 0.000 0.342 324 H C -1.959 173.493 175.328 0.207 0.000 1.048 324 H CA -0.640 55.422 56.048 0.024 0.000 1.204 324 H CB 1.265 31.040 29.762 0.021 0.000 1.493 324 H HN 0.594 nan 8.280 nan 0.000 0.511 325 W N 8.808 129.755 121.300 -0.587 0.000 2.957 325 W HA 0.397 5.058 4.660 0.001 0.000 0.327 325 W C -0.668 175.691 176.519 -0.268 0.000 1.039 325 W CA -0.516 56.640 57.345 -0.315 0.000 1.257 325 W CB 0.510 29.953 29.460 -0.028 0.000 1.238 325 W HN 1.026 nan 8.180 nan 0.000 0.406 326 R N 2.525 122.534 120.500 -0.818 0.000 3.923 326 R HA -0.383 3.957 4.340 0.001 0.000 0.400 326 R C 0.697 176.700 176.300 -0.494 0.000 0.241 326 R CA 1.962 57.641 56.100 -0.701 0.000 1.284 326 R CB -1.179 28.513 30.300 -1.013 0.000 1.006 326 R HN 0.710 nan 8.270 nan 0.000 0.559 327 N N -0.340 118.014 118.700 -0.576 0.000 2.467 327 N HA 0.032 4.772 4.740 0.001 0.000 0.184 327 N C -0.130 174.992 175.510 -0.648 0.000 1.106 327 N CA 0.147 52.775 53.050 -0.705 0.000 0.892 327 N CB 0.069 37.795 38.487 -1.268 0.000 0.969 327 N HN 0.170 nan 8.380 nan 0.000 0.454 328 W N 1.366 122.530 121.300 -0.228 0.000 2.375 328 W HA 0.355 5.016 4.660 0.001 0.000 0.336 328 W C -0.178 176.400 176.519 0.098 0.000 1.160 328 W CA -0.504 56.862 57.345 0.036 0.000 1.266 328 W CB 0.893 30.487 29.460 0.222 0.000 1.195 328 W HN -0.180 nan 8.180 nan 0.000 0.599 329 D N 2.230 122.952 120.400 0.536 0.000 2.970 329 D HA 0.345 4.986 4.640 0.001 0.000 0.230 329 D C -1.199 175.357 176.300 0.427 0.000 1.276 329 D CA -0.361 53.856 54.000 0.362 0.000 0.910 329 D CB 1.994 42.984 40.800 0.317 0.000 1.590 329 D HN 0.229 nan 8.370 nan 0.000 0.551 330 F N -1.047 118.944 119.950 0.068 0.000 2.686 330 F HA 0.435 4.963 4.527 0.001 0.000 0.311 330 F C -1.341 174.427 175.800 -0.054 0.000 1.128 330 F CA -1.015 56.989 58.000 0.006 0.000 0.946 330 F CB 1.672 40.605 39.000 -0.112 0.000 1.336 330 F HN 0.173 nan 8.300 nan 0.000 0.457 331 H N 2.108 121.155 119.070 -0.038 0.000 2.459 331 H HA 0.677 5.234 4.556 0.001 0.000 0.332 331 H C -1.948 173.287 175.328 -0.155 0.000 1.094 331 H CA -0.738 55.148 56.048 -0.270 0.000 1.224 331 H CB 2.107 31.542 29.762 -0.545 0.000 1.449 331 H HN 0.837 nan 8.280 nan 0.000 0.484 332 L N 5.027 125.920 121.223 -0.550 0.000 2.343 332 L HA 0.351 4.692 4.340 0.001 0.000 0.278 332 L C -0.916 175.712 176.870 -0.403 0.000 0.996 332 L CA -0.177 54.469 54.840 -0.324 0.000 0.831 332 L CB 1.263 43.205 42.059 -0.194 0.000 1.232 332 L HN 0.678 nan 8.230 nan 0.000 0.413 333 S N 4.014 119.563 115.700 -0.251 0.000 2.704 333 S HA 0.870 5.341 4.470 0.001 0.000 0.296 333 S C -0.715 173.763 174.600 -0.203 0.000 1.138 333 S CA -0.913 57.177 58.200 -0.184 0.000 0.875 333 S CB 1.746 64.921 63.200 -0.041 0.000 1.151 333 S HN 0.620 nan 8.310 nan 0.000 0.500 334 M N 2.625 122.127 119.600 -0.164 0.000 2.383 334 M HA 0.503 4.984 4.480 0.001 0.000 0.325 334 M C -1.213 175.002 176.300 -0.142 0.000 1.092 334 M CA -0.673 54.512 55.300 -0.191 0.000 0.961 334 M CB 1.621 34.137 32.600 -0.139 0.000 1.672 334 M HN 0.872 nan 8.290 nan 0.000 0.438 335 N N 1.506 120.104 118.700 -0.171 0.000 2.314 335 N HA 0.258 4.998 4.740 0.001 0.000 0.294 335 N C 0.151 175.622 175.510 -0.065 0.000 1.029 335 N CA 0.187 53.178 53.050 -0.098 0.000 0.845 335 N CB 1.697 40.131 38.487 -0.089 0.000 1.321 335 N HN 0.852 nan 8.380 nan 0.000 0.481 336 S N 3.338 119.035 115.700 -0.005 0.000 2.442 336 S HA -0.129 4.342 4.470 0.001 0.000 0.236 336 S C 1.651 176.289 174.600 0.063 0.000 1.007 336 S CA 0.710 58.936 58.200 0.043 0.000 0.965 336 S CB 0.027 63.264 63.200 0.062 0.000 0.773 336 S HN 0.725 nan 8.310 nan 0.000 0.504 337 R N 0.853 121.371 120.500 0.031 0.000 2.062 337 R HA 0.099 4.440 4.340 0.001 0.000 0.218 337 R C 2.097 178.423 176.300 0.043 0.000 1.161 337 R CA 1.441 57.555 56.100 0.023 0.000 0.994 337 R CB -0.165 30.096 30.300 -0.065 0.000 0.888 337 R HN 0.463 nan 8.270 nan 0.000 0.442 338 V N -1.573 118.345 119.914 0.006 0.000 3.647 338 V HA 0.415 4.536 4.120 0.001 0.000 0.279 338 V C 0.853 176.771 176.094 -0.294 0.000 1.314 338 V CA 0.442 62.723 62.300 -0.033 0.000 1.125 338 V CB -0.203 31.634 31.823 0.024 0.000 0.907 338 V HN 0.662 nan 8.190 nan 0.000 0.434 339 G N 1.216 109.769 108.800 -0.412 0.000 2.496 339 G HA2 -0.182 3.779 3.960 0.001 0.000 0.243 339 G HA3 -0.182 3.779 3.960 0.001 0.000 0.243 339 G C -2.644 171.752 174.900 -0.839 0.000 1.176 339 G CA -0.202 44.267 45.100 -1.053 0.000 0.940 339 G HN 0.595 nan 8.290 nan 0.000 0.573 340 P HA 0.406 nan 4.420 nan 0.000 0.268 340 P C -0.398 176.563 177.300 -0.564 0.000 1.205 340 P CA 0.544 63.240 63.100 -0.674 0.000 0.771 340 P CB 0.535 31.872 31.700 -0.605 0.000 0.858 341 M N 3.475 122.801 119.600 -0.456 0.000 2.142 341 M HA 0.351 4.832 4.480 0.001 0.000 0.299 341 M C -0.564 175.503 176.300 -0.388 0.000 0.960 341 M CA -0.701 54.350 55.300 -0.413 0.000 0.920 341 M CB 1.720 34.151 32.600 -0.281 0.000 1.541 341 M HN 0.101 nan 8.290 nan 0.000 0.429 342 I N 2.801 123.073 120.570 -0.497 0.000 2.297 342 I HA 0.384 4.555 4.170 0.001 0.000 0.291 342 I C -0.038 175.934 176.117 -0.243 0.000 1.033 342 I CA 0.046 61.140 61.300 -0.344 0.000 1.253 342 I CB 0.574 38.279 38.000 -0.491 0.000 1.396 342 I HN 0.590 nan 8.210 nan 0.000 0.476 343 S N 3.149 118.766 115.700 -0.139 0.000 2.638 343 S HA 0.489 4.960 4.470 0.001 0.000 0.302 343 S C 0.135 174.644 174.600 -0.151 0.000 1.096 343 S CA -0.617 57.424 58.200 -0.266 0.000 0.953 343 S CB 1.794 64.763 63.200 -0.386 0.000 1.107 343 S HN 0.798 nan 8.310 nan 0.000 0.503 344 T N -1.520 112.806 114.554 -0.381 0.000 3.473 344 T HA -0.155 4.196 4.350 0.001 0.000 0.403 344 T C -0.097 174.754 174.700 0.252 0.000 0.768 344 T CA 0.011 61.935 62.100 -0.294 0.000 2.009 344 T CB -2.482 66.257 68.868 -0.215 0.000 1.715 344 T HN 0.454 nan 8.240 nan 0.000 0.666 345 V N 2.763 122.893 119.914 0.360 0.000 2.427 345 V HA 0.576 4.697 4.120 0.001 0.000 0.268 345 V C 1.226 177.703 176.094 0.639 0.000 1.046 345 V CA 0.177 62.776 62.300 0.499 0.000 0.970 345 V CB 0.710 32.772 31.823 0.397 0.000 1.001 345 V HN 1.001 nan 8.190 nan 0.000 0.476 346 T N 2.102 117.032 114.554 0.627 0.000 2.930 346 T HA 0.659 5.009 4.350 0.001 0.000 0.290 346 T C -1.117 173.859 174.700 0.461 0.000 1.052 346 T CA -0.772 61.637 62.100 0.516 0.000 1.017 346 T CB 1.946 71.056 68.868 0.404 0.000 1.137 346 T HN 0.392 nan 8.240 nan 0.000 0.511 347 Y N 1.905 122.317 120.300 0.186 0.000 2.326 347 Y HA 0.505 5.055 4.550 0.001 0.000 0.331 347 Y C -0.253 175.686 175.900 0.064 0.000 0.962 347 Y CA -1.217 56.850 58.100 -0.056 0.000 1.167 347 Y CB 1.398 39.783 38.460 -0.125 0.000 1.148 347 Y HN 0.863 nan 8.280 nan 0.000 0.463 348 N N 4.449 123.057 118.700 -0.154 0.000 2.402 348 N HA 0.037 4.778 4.740 0.001 0.000 0.259 348 N C -1.332 174.254 175.510 0.126 0.000 1.167 348 N CA 0.103 53.154 53.050 0.002 0.000 0.949 348 N CB 0.307 38.760 38.487 -0.057 0.000 1.212 348 N HN 0.554 nan 8.380 nan 0.000 0.493 349 D N 3.468 124.036 120.400 0.279 0.000 2.485 349 D HA 0.178 4.819 4.640 0.001 0.000 0.221 349 D C -0.557 175.833 176.300 0.149 0.000 1.112 349 D CA -0.114 54.077 54.000 0.319 0.000 0.911 349 D CB -0.885 40.124 40.800 0.349 0.000 1.019 349 D HN 0.725 nan 8.370 nan 0.000 0.516 350 N N 2.847 121.607 118.700 0.099 0.000 2.705 350 N HA -0.265 4.476 4.740 0.001 0.000 0.255 350 N C 0.898 176.429 175.510 0.035 0.000 1.008 350 N CA 0.367 53.447 53.050 0.049 0.000 0.742 350 N CB -0.664 37.849 38.487 0.045 0.000 0.906 350 N HN 0.705 nan 8.380 nan 0.000 0.541 351 G N -1.824 106.996 108.800 0.032 0.000 2.279 351 G HA2 -0.288 3.673 3.960 0.001 0.000 0.223 351 G HA3 -0.288 3.673 3.960 0.001 0.000 0.223 351 G C 0.142 175.060 174.900 0.030 0.000 1.015 351 G CA 0.314 45.427 45.100 0.022 0.000 0.621 351 G HN 0.394 nan 8.290 nan 0.000 0.506 352 T N 2.358 116.939 114.554 0.045 0.000 2.749 352 T HA 0.527 4.878 4.350 0.001 0.000 0.287 352 T C 0.058 174.805 174.700 0.078 0.000 0.970 352 T CA -0.302 61.824 62.100 0.044 0.000 0.980 352 T CB 1.705 70.589 68.868 0.026 0.000 0.924 352 T HN 0.301 nan 8.240 nan 0.000 0.456 353 K N 3.721 124.166 120.400 0.075 0.000 2.349 353 K HA 0.228 4.549 4.320 0.001 0.000 0.289 353 K C 0.236 176.901 176.600 0.108 0.000 1.064 353 K CA -0.140 56.217 56.287 0.116 0.000 0.947 353 K CB 0.616 33.188 32.500 0.121 0.000 1.007 353 K HN 0.410 nan 8.250 nan 0.000 0.478 354 R N 2.925 123.530 120.500 0.175 0.000 2.407 354 R HA 0.218 4.558 4.340 0.001 0.000 0.303 354 R C -0.283 176.132 176.300 0.191 0.000 0.981 354 R CA -0.795 55.394 56.100 0.147 0.000 0.905 354 R CB 1.384 31.788 30.300 0.172 0.000 1.099 354 R HN 0.325 nan 8.270 nan 0.000 0.459 355 K N 1.034 121.445 120.400 0.017 0.000 2.355 355 K HA 0.063 4.383 4.320 0.001 0.000 0.270 355 K C 0.263 176.968 176.600 0.175 0.000 1.003 355 K CA -0.098 56.154 56.287 -0.058 0.000 0.957 355 K CB 0.971 33.197 32.500 -0.457 0.000 0.939 355 K HN 0.321 nan 8.250 nan 0.000 0.482 356 V N 1.671 121.736 119.914 0.251 0.000 3.177 356 V HA 0.155 4.275 4.120 0.001 0.000 0.219 356 V C -0.247 175.906 176.094 0.097 0.000 1.344 356 V CA -0.035 62.322 62.300 0.095 0.000 1.324 356 V CB 0.512 32.395 31.823 0.101 0.000 1.165 356 V HN 0.750 nan 8.190 nan 0.000 0.510 357 M N -1.154 118.614 119.600 0.281 0.000 2.271 357 M HA 0.373 4.854 4.480 0.001 0.000 0.285 357 M C -0.200 176.313 176.300 0.356 0.000 1.059 357 M CA -0.582 54.859 55.300 0.234 0.000 0.940 357 M CB 2.286 34.935 32.600 0.082 0.000 1.636 357 M HN 0.294 nan 8.290 nan 0.000 0.460 358 Y N 3.204 123.633 120.300 0.215 0.000 2.243 358 Y HA 0.299 4.849 4.550 0.001 0.000 0.293 358 Y C -0.097 175.688 175.900 -0.191 0.000 1.124 358 Y CA 1.420 59.486 58.100 -0.057 0.000 1.159 358 Y CB 0.579 39.005 38.460 -0.056 0.000 1.008 358 Y HN 0.722 nan 8.280 nan 0.000 0.527 359 E N -0.621 119.440 120.200 -0.232 0.000 2.321 359 E HA 0.498 4.849 4.350 0.001 0.000 0.281 359 E C -1.409 175.081 176.600 -0.184 0.000 0.910 359 E CA -0.441 55.762 56.400 -0.328 0.000 0.770 359 E CB 1.565 31.071 29.700 -0.324 0.000 1.225 359 E HN 0.297 nan 8.360 nan 0.000 0.417 360 G N 1.450 110.111 108.800 -0.232 0.000 2.682 360 G HA2 0.657 4.617 3.960 0.001 0.000 0.300 360 G HA3 0.657 4.617 3.960 0.001 0.000 0.300 360 G C -1.096 173.610 174.900 -0.324 0.000 1.391 360 G CA -0.050 44.950 45.100 -0.166 0.000 0.990 360 G HN 0.613 nan 8.290 nan 0.000 0.501 361 S N 0.617 116.297 115.700 -0.033 0.000 2.656 361 S HA 0.592 5.063 4.470 0.001 0.000 0.265 361 S C -1.268 173.564 174.600 0.386 0.000 1.132 361 S CA -0.803 57.378 58.200 -0.031 0.000 0.819 361 S CB 0.943 64.040 63.200 -0.171 0.000 1.119 361 S HN 1.650 nan 8.310 nan 0.000 0.476 362 L N 1.889 123.306 121.223 0.324 0.000 2.456 362 L HA 0.678 5.019 4.340 0.001 0.000 0.272 362 L C 1.233 178.161 176.870 0.097 0.000 1.189 362 L CA 1.231 56.213 54.840 0.237 0.000 0.846 362 L CB 0.404 42.455 42.059 -0.013 0.000 1.111 362 L HN 1.012 nan 8.230 nan 0.000 0.475 363 G N 2.631 111.456 108.800 0.042 0.000 2.471 363 G HA2 0.482 4.443 3.960 0.001 0.000 0.211 363 G HA3 0.482 4.443 3.960 0.001 0.000 0.211 363 G C 0.382 175.346 174.900 0.108 0.000 1.194 363 G CA 0.475 45.634 45.100 0.099 0.000 0.816 363 G HN 1.154 nan 8.290 nan 0.000 0.545 364 G N -1.130 107.651 108.800 -0.032 0.000 2.356 364 G HA2 0.555 4.515 3.960 0.001 0.000 0.294 364 G HA3 0.555 4.515 3.960 0.001 0.000 0.294 364 G C -1.058 173.804 174.900 -0.062 0.000 1.423 364 G CA -0.295 44.763 45.100 -0.070 0.000 0.806 364 G HN 0.803 nan 8.290 nan 0.000 0.527 365 M N -0.744 118.869 119.600 0.021 0.000 2.622 365 M HA 0.891 5.372 4.480 0.001 0.000 0.276 365 M C -1.750 174.648 176.300 0.164 0.000 1.265 365 M CA -1.097 54.260 55.300 0.094 0.000 0.850 365 M CB 2.745 35.350 32.600 0.008 0.000 1.720 365 M HN 0.762 nan 8.290 nan 0.000 0.465 366 I N 1.473 122.124 120.570 0.135 0.000 2.752 366 I HA 0.639 4.810 4.170 0.001 0.000 0.295 366 I C -1.876 174.265 176.117 0.039 0.000 1.219 366 I CA -0.916 60.471 61.300 0.144 0.000 1.030 366 I CB 2.523 40.639 38.000 0.194 0.000 1.259 366 I HN 0.655 nan 8.210 nan 0.000 0.423 367 V N 8.275 128.264 119.914 0.124 0.000 2.320 367 V HA 0.407 4.528 4.120 0.001 0.000 0.268 367 V C -2.426 173.774 176.094 0.178 0.000 1.021 367 V CA -1.125 61.204 62.300 0.049 0.000 0.813 367 V CB 1.069 32.947 31.823 0.092 0.000 1.054 367 V HN 0.536 nan 8.190 nan 0.000 0.444 368 P HA 0.524 nan 4.420 nan 0.000 0.292 368 P C -0.972 176.448 177.300 0.200 0.000 1.283 368 P CA -0.447 62.846 63.100 0.321 0.000 0.835 368 P CB 1.604 33.583 31.700 0.464 0.000 1.017 369 F N 0.475 120.606 119.950 0.302 0.000 2.408 369 F HA 0.556 5.083 4.527 0.001 0.000 0.325 369 F C 1.773 177.657 175.800 0.141 0.000 1.082 369 F CA 0.182 58.325 58.000 0.239 0.000 1.032 369 F CB 1.059 40.241 39.000 0.303 0.000 1.259 369 F HN 0.407 nan 8.300 nan 0.000 0.503 370 G N -0.097 108.803 108.800 0.165 0.000 3.774 370 G HA2 0.058 4.019 3.960 0.001 0.000 0.287 370 G HA3 0.058 4.019 3.960 0.001 0.000 0.287 370 G C -0.845 173.994 174.900 -0.101 0.000 1.030 370 G CA -0.089 44.993 45.100 -0.030 0.000 0.824 370 G HN 0.484 nan 8.290 nan 0.000 0.518 371 D N 1.110 121.455 120.400 -0.091 0.000 2.233 371 D HA 0.259 4.900 4.640 0.001 0.000 0.240 371 D C -1.540 174.613 176.300 -0.245 0.000 1.074 371 D CA -1.830 51.906 54.000 -0.440 0.000 0.838 371 D CB 3.049 43.572 40.800 -0.461 0.000 1.124 371 D HN 0.010 nan 8.370 nan 0.000 0.475 372 P HA 0.046 nan 4.420 nan 0.000 0.245 372 P C -0.158 177.159 177.300 0.029 0.000 1.206 372 P CA -0.063 62.958 63.100 -0.132 0.000 0.781 372 P CB 0.602 32.175 31.700 -0.212 0.000 0.994 373 D N 0.559 120.982 120.400 0.038 0.000 2.362 373 D HA -0.026 4.614 4.640 0.001 0.000 0.238 373 D C 1.977 178.491 176.300 0.356 0.000 1.212 373 D CA -0.102 54.005 54.000 0.179 0.000 0.902 373 D CB 0.587 41.488 40.800 0.169 0.000 1.180 373 D HN 0.068 nan 8.370 nan 0.000 0.445 374 I N -1.904 118.853 120.570 0.312 0.000 2.194 374 I HA -0.149 4.022 4.170 0.001 0.000 0.246 374 I C 1.620 177.922 176.117 0.308 0.000 1.093 374 I CA 1.802 63.319 61.300 0.362 0.000 1.355 374 I CB -0.559 37.571 38.000 0.216 0.000 1.046 374 I HN 0.285 nan 8.210 nan 0.000 0.413 375 G N -1.005 107.928 108.800 0.221 0.000 3.181 375 G HA2 0.089 4.050 3.960 0.001 0.000 0.219 375 G HA3 0.089 4.050 3.960 0.001 0.000 0.219 375 G C 0.516 175.050 174.900 -0.611 0.000 1.182 375 G CA -0.123 44.929 45.100 -0.080 0.000 0.791 375 G HN 0.658 nan 8.290 nan 0.000 0.537 376 W N -1.776 119.377 121.300 -0.246 0.000 2.926 376 W HA 0.174 4.835 4.660 0.002 0.000 0.221 376 W C 1.967 178.231 176.519 -0.425 0.000 1.030 376 W CA -0.342 56.727 57.345 -0.459 0.000 1.330 376 W CB -0.372 28.960 29.460 -0.214 0.000 0.787 376 W HN 0.202 nan 8.180 nan 0.000 0.736 377 Y N 1.086 121.411 120.300 0.043 0.000 2.173 377 Y HA -0.351 4.200 4.550 0.001 0.000 0.282 377 Y C 1.788 177.783 175.900 0.159 0.000 1.192 377 Y CA 1.843 59.991 58.100 0.079 0.000 1.176 377 Y CB -1.892 36.584 38.460 0.027 0.000 0.969 377 Y HN 0.081 nan 8.280 nan 0.000 0.519 378 F N -0.227 119.528 119.950 -0.325 0.000 2.754 378 F HA 0.395 4.923 4.527 0.001 0.000 0.297 378 F C 0.754 176.563 175.800 0.014 0.000 1.122 378 F CA -1.172 56.814 58.000 -0.023 0.000 1.400 378 F CB -0.504 38.294 39.000 -0.336 0.000 1.117 378 F HN -0.255 nan 8.300 nan 0.000 0.587 379 K N 2.375 122.271 120.400 -0.841 0.000 2.395 379 K HA 0.423 4.743 4.320 0.001 0.000 0.283 379 K C -0.555 176.035 176.600 -0.017 0.000 1.068 379 K CA 0.440 56.391 56.287 -0.560 0.000 1.039 379 K CB 0.103 32.173 32.500 -0.716 0.000 0.924 379 K HN 0.401 nan 8.250 nan 0.000 0.468 380 A N 5.095 127.878 122.820 -0.062 0.000 2.550 380 A HA 0.276 4.597 4.320 0.001 0.000 0.282 380 A C -1.699 175.913 177.584 0.047 0.000 1.071 380 A CA -0.741 51.368 52.037 0.120 0.000 0.838 380 A CB 0.384 19.448 19.000 0.106 0.000 1.361 380 A HN 0.593 nan 8.150 nan 0.000 0.408 381 Y N 1.805 122.249 120.300 0.240 0.000 2.365 381 Y HA 0.462 5.013 4.550 0.001 0.000 0.340 381 Y C 0.168 176.202 175.900 0.222 0.000 1.016 381 Y CA -0.380 57.871 58.100 0.252 0.000 1.196 381 Y CB 1.280 39.865 38.460 0.208 0.000 1.167 381 Y HN 0.504 nan 8.280 nan 0.000 0.509 382 L N 4.809 126.257 121.223 0.375 0.000 2.407 382 L HA 0.206 4.547 4.340 0.001 0.000 0.261 382 L C 0.970 178.041 176.870 0.335 0.000 1.108 382 L CA 0.010 55.005 54.840 0.259 0.000 0.995 382 L CB -0.011 42.139 42.059 0.152 0.000 1.349 382 L HN 0.707 nan 8.230 nan 0.000 0.423 383 D N 0.385 120.976 120.400 0.318 0.000 2.177 383 D HA -0.271 4.369 4.640 0.001 0.000 0.189 383 D C 1.872 178.351 176.300 0.298 0.000 1.002 383 D CA 2.236 56.425 54.000 0.315 0.000 0.845 383 D CB 0.177 41.086 40.800 0.182 0.000 0.960 383 D HN 0.611 nan 8.370 nan 0.000 0.447 384 S N 0.487 116.301 115.700 0.190 0.000 2.345 384 S HA -0.053 4.418 4.470 0.001 0.000 0.220 384 S C 2.314 176.950 174.600 0.061 0.000 1.031 384 S CA 1.370 59.656 58.200 0.144 0.000 0.996 384 S CB -0.970 62.291 63.200 0.101 0.000 0.882 384 S HN 0.308 nan 8.310 nan 0.000 0.445 385 G N 1.804 110.600 108.800 -0.006 0.000 2.459 385 G HA2 -0.176 3.785 3.960 0.001 0.000 0.217 385 G HA3 -0.176 3.785 3.960 0.001 0.000 0.217 385 G C 1.102 175.972 174.900 -0.050 0.000 1.183 385 G CA 1.175 46.210 45.100 -0.109 0.000 0.776 385 G HN 0.522 nan 8.290 nan 0.000 0.552 386 D N -1.252 119.164 120.400 0.026 0.000 2.305 386 D HA 0.092 4.732 4.640 0.001 0.000 0.206 386 D C 1.317 177.491 176.300 -0.211 0.000 0.974 386 D CA 0.511 54.453 54.000 -0.097 0.000 0.871 386 D CB 0.132 40.852 40.800 -0.133 0.000 0.947 386 D HN 0.482 nan 8.370 nan 0.000 0.516 387 Y N -0.519 119.860 120.300 0.133 0.000 2.426 387 Y HA 0.342 4.892 4.550 0.001 0.000 0.249 387 Y C 1.060 177.051 175.900 0.152 0.000 1.103 387 Y CA 0.003 58.212 58.100 0.181 0.000 1.256 387 Y CB 0.999 39.609 38.460 0.250 0.000 1.208 387 Y HN -0.115 nan 8.280 nan 0.000 0.519 388 G N 1.517 110.462 108.800 0.241 0.000 2.694 388 G HA2 -0.265 3.695 3.960 0.001 0.000 0.247 388 G HA3 -0.265 3.695 3.960 0.001 0.000 0.247 388 G C 0.479 175.524 174.900 0.241 0.000 0.989 388 G CA 0.254 45.466 45.100 0.186 0.000 1.252 388 G HN 0.296 nan 8.290 nan 0.000 0.483 389 M N 1.079 120.846 119.600 0.278 0.000 2.175 389 M HA -0.005 4.476 4.480 0.001 0.000 0.264 389 M C 2.776 179.392 176.300 0.526 0.000 1.063 389 M CA 2.230 57.764 55.300 0.389 0.000 1.119 389 M CB -0.181 32.708 32.600 0.482 0.000 1.377 389 M HN 0.639 nan 8.290 nan 0.000 0.415 390 G N -0.199 108.836 108.800 0.392 0.000 2.421 390 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 390 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 390 G C 1.454 176.519 174.900 0.275 0.000 1.171 390 G CA 1.493 46.779 45.100 0.309 0.000 0.775 390 G HN 0.359 nan 8.290 nan 0.000 0.543 391 T N 1.295 115.971 114.554 0.203 0.000 2.759 391 T HA -0.033 4.318 4.350 0.001 0.000 0.269 391 T C 2.006 176.807 174.700 0.168 0.000 1.042 391 T CA 0.695 62.895 62.100 0.167 0.000 1.140 391 T CB -0.170 68.791 68.868 0.154 0.000 0.864 391 T HN 0.123 nan 8.240 nan 0.000 0.455 392 L N 1.587 122.925 121.223 0.191 0.000 2.645 392 L HA 0.129 4.470 4.340 0.001 0.000 0.234 392 L C 0.622 177.570 176.870 0.131 0.000 1.165 392 L CA -0.250 54.675 54.840 0.141 0.000 0.944 392 L CB -0.731 41.408 42.059 0.133 0.000 1.149 392 L HN 0.105 nan 8.230 nan 0.000 0.446 393 T N 0.102 114.785 114.554 0.216 0.000 2.933 393 T HA -0.023 4.327 4.350 0.001 0.000 0.306 393 T C 0.639 175.386 174.700 0.079 0.000 1.045 393 T CA 0.406 62.632 62.100 0.210 0.000 1.143 393 T CB 0.586 69.700 68.868 0.411 0.000 1.003 393 T HN 0.131 nan 8.240 nan 0.000 0.540 394 S N 5.196 120.889 115.700 -0.012 0.000 2.422 394 S HA 0.362 4.833 4.470 0.001 0.000 0.308 394 S C -2.257 172.350 174.600 0.012 0.000 1.097 394 S CA -1.230 56.961 58.200 -0.016 0.000 1.099 394 S CB 0.972 64.129 63.200 -0.072 0.000 0.976 394 S HN 0.456 nan 8.310 nan 0.000 0.471 395 P HA 0.042 nan 4.420 nan 0.000 0.262 395 P C -0.190 177.125 177.300 0.025 0.000 1.182 395 P CA -0.139 62.985 63.100 0.041 0.000 0.761 395 P CB 0.195 31.912 31.700 0.029 0.000 0.795 396 I N 2.117 122.711 120.570 0.041 0.000 2.683 396 I HA 0.006 4.177 4.170 0.001 0.000 0.286 396 I C 0.962 177.083 176.117 0.007 0.000 1.175 396 I CA 0.147 61.466 61.300 0.030 0.000 1.429 396 I CB -0.137 37.898 38.000 0.058 0.000 1.371 396 I HN 0.362 nan 8.210 nan 0.000 0.569 397 A N 7.853 130.669 122.820 -0.006 0.000 2.316 397 A HA 0.252 4.573 4.320 0.001 0.000 0.311 397 A C 0.706 178.278 177.584 -0.021 0.000 1.339 397 A CA -0.586 51.443 52.037 -0.015 0.000 0.960 397 A CB 0.010 19.000 19.000 -0.017 0.000 1.152 397 A HN 0.793 nan 8.150 nan 0.000 0.547 398 R N 2.037 122.524 120.500 -0.022 0.000 2.481 398 R HA 0.150 4.491 4.340 0.001 0.000 0.291 398 R C 1.440 177.721 176.300 -0.033 0.000 0.934 398 R CA 1.777 57.861 56.100 -0.028 0.000 1.116 398 R CB -0.048 30.233 30.300 -0.031 0.000 0.895 398 R HN 1.636 nan 8.270 nan 0.000 0.410 399 G N 3.194 111.965 108.800 -0.049 0.000 2.212 399 G HA2 -0.362 3.599 3.960 0.001 0.000 0.266 399 G HA3 -0.362 3.599 3.960 0.001 0.000 0.266 399 G C 0.667 175.536 174.900 -0.052 0.000 0.978 399 G CA 0.903 45.973 45.100 -0.050 0.000 0.632 399 G HN 0.664 nan 8.290 nan 0.000 0.537 400 K N -1.052 119.319 120.400 -0.048 0.000 2.353 400 K HA 0.173 4.494 4.320 0.001 0.000 0.206 400 K C 1.397 177.973 176.600 -0.040 0.000 1.191 400 K CA 0.364 56.628 56.287 -0.038 0.000 0.897 400 K CB 0.123 32.607 32.500 -0.026 0.000 1.283 400 K HN 0.065 nan 8.250 nan 0.000 0.477 401 D N 0.775 121.154 120.400 -0.036 0.000 2.317 401 D HA 0.053 4.694 4.640 0.001 0.000 0.211 401 D C 0.003 176.286 176.300 -0.029 0.000 0.966 401 D CA 0.573 54.561 54.000 -0.019 0.000 0.876 401 D CB 0.492 41.286 40.800 -0.009 0.000 0.927 401 D HN 0.201 nan 8.370 nan 0.000 0.519 402 A N 0.326 123.078 122.820 -0.112 0.000 2.587 402 A HA 0.564 4.884 4.320 0.001 0.000 0.293 402 A C -2.691 174.669 177.584 -0.374 0.000 1.087 402 A CA -1.315 50.532 52.037 -0.318 0.000 0.692 402 A CB 1.554 20.394 19.000 -0.266 0.000 1.291 402 A HN -0.226 nan 8.150 nan 0.000 0.407 403 P HA 0.057 nan 4.420 nan 0.000 0.270 403 P C 0.953 178.130 177.300 -0.205 0.000 1.223 403 P CA 0.504 63.397 63.100 -0.345 0.000 0.785 403 P CB 0.747 32.229 31.700 -0.362 0.000 0.923 404 S N 0.378 116.024 115.700 -0.090 0.000 2.500 404 S HA -0.159 4.312 4.470 0.001 0.000 0.239 404 S C 1.173 175.788 174.600 0.024 0.000 0.989 404 S CA 0.889 59.077 58.200 -0.020 0.000 0.951 404 S CB -1.073 62.134 63.200 0.012 0.000 0.759 404 S HN 0.651 nan 8.310 nan 0.000 0.523 405 N N 1.711 120.424 118.700 0.022 0.000 2.276 405 N HA 0.309 5.050 4.740 0.001 0.000 0.212 405 N C 0.148 175.745 175.510 0.144 0.000 1.127 405 N CA 0.188 53.296 53.050 0.097 0.000 0.834 405 N CB 0.011 38.564 38.487 0.111 0.000 1.014 405 N HN 0.475 nan 8.380 nan 0.000 0.491 406 A N 0.235 123.102 122.820 0.078 0.000 2.287 406 A HA 0.577 4.897 4.320 0.001 0.000 0.273 406 A C -0.296 177.404 177.584 0.195 0.000 1.091 406 A CA -0.479 51.658 52.037 0.168 0.000 0.817 406 A CB 1.016 20.029 19.000 0.020 0.000 1.069 406 A HN 0.067 nan 8.150 nan 0.000 0.492 407 V N 1.673 121.735 119.914 0.247 0.000 2.409 407 V HA 0.336 4.457 4.120 0.001 0.000 0.291 407 V C -0.526 175.695 176.094 0.211 0.000 1.020 407 V CA -0.187 62.264 62.300 0.252 0.000 0.848 407 V CB 1.106 33.120 31.823 0.318 0.000 0.990 407 V HN 0.663 nan 8.190 nan 0.000 0.430 408 L N 6.362 127.689 121.223 0.173 0.000 2.272 408 L HA 0.585 4.926 4.340 0.001 0.000 0.289 408 L C -0.414 176.539 176.870 0.138 0.000 1.032 408 L CA -0.390 54.531 54.840 0.136 0.000 0.810 408 L CB 1.155 43.261 42.059 0.079 0.000 1.205 408 L HN 0.385 nan 8.230 nan 0.000 0.422 409 L N 3.050 124.358 121.223 0.141 0.000 2.357 409 L HA 0.466 4.807 4.340 0.001 0.000 0.273 409 L C -0.064 176.846 176.870 0.066 0.000 1.080 409 L CA -0.706 54.205 54.840 0.119 0.000 0.803 409 L CB 0.906 43.037 42.059 0.121 0.000 1.174 409 L HN 0.588 nan 8.230 nan 0.000 0.443 410 N N 1.583 120.299 118.700 0.028 0.000 2.456 410 N HA 0.411 5.152 4.740 0.001 0.000 0.296 410 N C -0.793 174.724 175.510 0.011 0.000 1.102 410 N CA -0.559 52.499 53.050 0.014 0.000 0.924 410 N CB 2.041 40.519 38.487 -0.014 0.000 1.186 410 N HN 0.497 nan 8.380 nan 0.000 0.492 411 E N 0.551 120.762 120.200 0.018 0.000 2.293 411 E HA 0.418 4.768 4.350 0.001 0.000 0.270 411 E C -0.768 175.835 176.600 0.004 0.000 0.879 411 E CA -0.565 55.836 56.400 0.002 0.000 0.756 411 E CB 2.187 31.885 29.700 -0.004 0.000 1.208 411 E HN 0.338 nan 8.360 nan 0.000 0.428 412 T N 2.656 117.204 114.554 -0.009 0.000 2.823 412 T HA 0.719 5.070 4.350 0.001 0.000 0.279 412 T C 0.379 175.073 174.700 -0.009 0.000 0.998 412 T CA -0.532 61.564 62.100 -0.006 0.000 0.994 412 T CB 0.559 69.418 68.868 -0.013 0.000 0.960 412 T HN 0.462 nan 8.240 nan 0.000 0.448 413 I N -0.716 119.854 120.570 0.001 0.000 3.467 413 I HA 0.982 5.153 4.170 0.001 0.000 0.314 413 I C -1.010 175.106 176.117 -0.001 0.000 1.177 413 I CA -1.904 59.398 61.300 0.002 0.000 0.943 413 I CB 1.708 39.721 38.000 0.022 0.000 1.338 413 I HN 0.609 nan 8.210 nan 0.000 0.482 414 A N 1.611 124.431 122.820 0.001 0.000 2.305 414 A HA 0.637 4.958 4.320 0.001 0.000 0.322 414 A C -0.840 176.762 177.584 0.029 0.000 1.187 414 A CA -0.438 51.589 52.037 -0.016 0.000 0.825 414 A CB 0.486 19.454 19.000 -0.052 0.000 1.164 414 A HN 0.840 nan 8.150 nan 0.000 0.498 415 D N 0.425 120.835 120.400 0.018 0.000 2.433 415 D HA 0.115 4.755 4.640 0.001 0.000 0.255 415 D C 0.799 177.169 176.300 0.116 0.000 1.226 415 D CA 0.029 54.074 54.000 0.075 0.000 1.015 415 D CB -0.035 40.784 40.800 0.032 0.000 1.091 415 D HN 0.639 nan 8.370 nan 0.000 0.527 416 Y N -2.270 118.109 120.300 0.132 0.000 2.483 416 Y HA -0.029 4.521 4.550 0.001 0.000 0.291 416 Y C 1.698 177.787 175.900 0.315 0.000 1.143 416 Y CA 1.180 59.398 58.100 0.197 0.000 1.289 416 Y CB -1.269 37.276 38.460 0.142 0.000 0.983 416 Y HN 0.364 nan 8.280 nan 0.000 0.556 417 T N -3.724 110.653 114.554 -0.296 0.000 3.122 417 T HA 0.465 4.816 4.350 0.001 0.000 0.250 417 T C 1.592 176.357 174.700 0.109 0.000 1.067 417 T CA 0.212 62.276 62.100 -0.060 0.000 0.966 417 T CB -0.311 68.395 68.868 -0.270 0.000 1.002 417 T HN 0.860 nan 8.240 nan 0.000 0.542 418 G N 0.663 109.424 108.800 -0.064 0.000 2.157 418 G HA2 -0.224 3.737 3.960 0.001 0.000 0.248 418 G HA3 -0.224 3.737 3.960 0.001 0.000 0.248 418 G C 0.001 174.749 174.900 -0.254 0.000 0.979 418 G CA -0.056 44.770 45.100 -0.458 0.000 0.650 418 G HN 0.681 nan 8.290 nan 0.000 0.529 419 V N 2.112 121.938 119.914 -0.147 0.000 2.465 419 V HA 0.444 4.565 4.120 0.001 0.000 0.279 419 V C -1.471 174.576 176.094 -0.077 0.000 1.045 419 V CA -1.583 60.654 62.300 -0.104 0.000 0.938 419 V CB 1.538 33.311 31.823 -0.082 0.000 0.986 419 V HN 0.099 nan 8.190 nan 0.000 0.467 420 P HA 0.108 nan 4.420 nan 0.000 0.265 420 P C -0.564 176.721 177.300 -0.025 0.000 1.187 420 P CA 0.186 63.260 63.100 -0.044 0.000 0.766 420 P CB 0.344 32.019 31.700 -0.042 0.000 0.820 421 M N 1.912 121.506 119.600 -0.010 0.000 2.213 421 M HA 0.291 4.772 4.480 0.001 0.000 0.286 421 M C -1.015 175.292 176.300 0.012 0.000 1.008 421 M CA -0.561 54.742 55.300 0.006 0.000 0.937 421 M CB 1.906 34.519 32.600 0.022 0.000 1.600 421 M HN 0.223 nan 8.290 nan 0.000 0.450 422 E N 5.317 125.524 120.200 0.011 0.000 2.146 422 E HA 0.420 4.771 4.350 0.001 0.000 0.282 422 E C -1.457 175.157 176.600 0.024 0.000 0.989 422 E CA -0.514 55.892 56.400 0.011 0.000 0.799 422 E CB 1.043 30.744 29.700 0.001 0.000 1.088 422 E HN 0.741 nan 8.360 nan 0.000 0.397 423 I N 7.985 128.576 120.570 0.036 0.000 2.304 423 I HA 0.246 4.417 4.170 0.001 0.000 0.291 423 I C -1.980 174.164 176.117 0.044 0.000 1.018 423 I CA -2.157 59.175 61.300 0.053 0.000 1.260 423 I CB 1.198 39.251 38.000 0.087 0.000 1.390 423 I HN 0.390 nan 8.210 nan 0.000 0.475 424 P HA 0.145 nan 4.420 nan 0.000 0.279 424 P C -0.539 176.781 177.300 0.034 0.000 1.239 424 P CA -0.353 62.758 63.100 0.018 0.000 0.789 424 P CB 0.682 32.383 31.700 0.002 0.000 0.933 425 R N 1.099 121.617 120.500 0.030 0.000 3.405 425 R HA -0.230 4.110 4.340 0.001 0.000 0.258 425 R C 1.165 177.523 176.300 0.095 0.000 1.030 425 R CA 0.449 56.581 56.100 0.052 0.000 0.691 425 R CB -2.409 27.908 30.300 0.028 0.000 1.093 425 R HN 0.615 nan 8.270 nan 0.000 0.448 426 A N 0.263 123.152 122.820 0.115 0.000 1.930 426 A HA 0.059 4.379 4.320 0.001 0.000 0.217 426 A C 1.044 178.790 177.584 0.270 0.000 1.175 426 A CA 1.029 53.177 52.037 0.186 0.000 0.627 426 A CB 0.250 19.341 19.000 0.152 0.000 0.815 426 A HN 0.386 nan 8.150 nan 0.000 0.443 427 I N -1.743 118.947 120.570 0.200 0.000 2.722 427 I HA 0.536 4.707 4.170 0.001 0.000 0.295 427 I C -0.374 175.857 176.117 0.189 0.000 1.161 427 I CA -0.761 60.674 61.300 0.225 0.000 1.032 427 I CB 2.264 40.355 38.000 0.152 0.000 1.244 427 I HN 0.104 nan 8.210 nan 0.000 0.421 428 A N 5.377 128.336 122.820 0.232 0.000 2.317 428 A HA 0.847 5.168 4.320 0.001 0.000 0.327 428 A C -0.874 176.857 177.584 0.246 0.000 1.178 428 A CA -0.518 51.673 52.037 0.258 0.000 0.817 428 A CB 1.348 20.540 19.000 0.320 0.000 1.189 428 A HN 0.428 nan 8.150 nan 0.000 0.489 429 V N 3.039 123.068 119.914 0.191 0.000 2.487 429 V HA 0.737 4.858 4.120 0.001 0.000 0.298 429 V C -1.071 175.061 176.094 0.064 0.000 1.028 429 V CA -0.261 62.008 62.300 -0.053 0.000 0.860 429 V CB 0.743 32.407 31.823 -0.264 0.000 0.991 429 V HN 0.913 nan 8.190 nan 0.000 0.427 430 F N 1.283 121.108 119.950 -0.209 0.000 2.650 430 F HA 0.682 5.210 4.527 0.001 0.000 0.310 430 F C -0.791 174.929 175.800 -0.133 0.000 1.112 430 F CA -1.069 56.880 58.000 -0.085 0.000 0.986 430 F CB 1.407 40.410 39.000 0.006 0.000 1.285 430 F HN 0.482 nan 8.300 nan 0.000 0.440 431 E N 2.730 123.021 120.200 0.152 0.000 2.277 431 E HA 0.685 5.036 4.350 0.001 0.000 0.274 431 E C -0.967 175.737 176.600 0.173 0.000 1.022 431 E CA -0.863 55.560 56.400 0.038 0.000 0.853 431 E CB 1.299 31.125 29.700 0.209 0.000 1.086 431 E HN 0.858 nan 8.360 nan 0.000 0.397 432 R N 2.629 123.191 120.500 0.103 0.000 2.668 432 R HA 0.228 4.569 4.340 0.001 0.000 0.272 432 R C -1.474 174.903 176.300 0.129 0.000 1.019 432 R CA -0.986 55.210 56.100 0.160 0.000 0.894 432 R CB 0.509 30.909 30.300 0.168 0.000 1.228 432 R HN 0.543 nan 8.270 nan 0.000 0.460 433 Y N 1.651 121.979 120.300 0.047 0.000 2.359 433 Y HA 0.439 4.989 4.550 0.001 0.000 0.330 433 Y C -0.425 175.471 175.900 -0.006 0.000 1.143 433 Y CA 0.213 58.328 58.100 0.025 0.000 1.318 433 Y CB 1.262 39.733 38.460 0.018 0.000 1.234 433 Y HN 0.837 nan 8.280 nan 0.000 0.522 434 A N 5.408 127.808 122.820 -0.701 0.000 2.992 434 A HA 0.612 4.933 4.320 0.001 0.000 0.263 434 A C 0.566 177.762 177.584 -0.646 0.000 0.928 434 A CA 0.068 51.788 52.037 -0.530 0.000 1.061 434 A CB -0.794 18.016 19.000 -0.316 0.000 1.173 434 A HN 1.819 nan 8.150 nan 0.000 0.482 435 G N 0.852 108.944 108.800 -1.179 0.000 2.741 435 G HA2 -0.111 3.850 3.960 0.001 0.000 0.222 435 G HA3 -0.111 3.850 3.960 0.001 0.000 0.222 435 G C -2.997 171.655 174.900 -0.413 0.000 1.364 435 G CA -0.387 44.374 45.100 -0.565 0.000 0.866 435 G HN 0.519 nan 8.290 nan 0.000 0.555 436 P HA 0.294 nan 4.420 nan 0.000 0.276 436 P C 0.481 177.711 177.300 -0.117 0.000 1.235 436 P CA 0.020 63.066 63.100 -0.089 0.000 0.772 436 P CB 1.703 33.392 31.700 -0.019 0.000 0.871 437 E N 4.214 124.310 120.200 -0.173 0.000 2.077 437 E HA -0.149 4.202 4.350 0.001 0.000 0.193 437 E C -0.050 176.534 176.600 -0.028 0.000 0.989 437 E CA 1.719 58.038 56.400 -0.134 0.000 0.800 437 E CB -0.373 29.197 29.700 -0.217 0.000 0.746 437 E HN 0.580 nan 8.360 nan 0.000 0.452 438 Y N -3.087 117.216 120.300 0.005 0.000 2.641 438 Y HA 0.638 5.188 4.550 0.001 0.000 0.333 438 Y C -1.155 174.762 175.900 0.027 0.000 1.174 438 Y CA -1.662 56.445 58.100 0.011 0.000 1.057 438 Y CB 0.617 39.080 38.460 0.004 0.000 1.322 438 Y HN -0.118 nan 8.280 nan 0.000 0.457 439 K N 1.122 121.726 120.400 0.340 0.000 2.562 439 K HA 0.558 4.879 4.320 0.001 0.000 0.267 439 K C -2.622 174.135 176.600 0.263 0.000 0.938 439 K CA -0.870 55.567 56.287 0.251 0.000 0.840 439 K CB 2.158 34.733 32.500 0.124 0.000 1.390 439 K HN 1.042 nan 8.250 nan 0.000 0.428 440 H N 1.856 120.987 119.070 0.101 0.000 3.240 440 H HA 0.216 4.773 4.556 0.001 0.000 0.329 440 H C -1.853 173.499 175.328 0.041 0.000 1.024 440 H CA -0.332 55.747 56.048 0.053 0.000 1.487 440 H CB 1.582 31.359 29.762 0.026 0.000 1.909 440 H HN 0.509 nan 8.280 nan 0.000 0.465 441 Q N 3.688 123.185 119.800 -0.504 0.000 2.636 441 Q HA 0.243 4.584 4.340 0.001 0.000 0.233 441 Q C -0.731 174.928 176.000 -0.569 0.000 1.143 441 Q CA -0.738 54.837 55.803 -0.380 0.000 0.969 441 Q CB 0.489 29.127 28.738 -0.166 0.000 1.185 441 Q HN 0.593 nan 8.270 nan 0.000 0.546 442 E N 2.721 122.541 120.200 -0.633 0.000 2.384 442 E HA 0.097 4.448 4.350 0.001 0.000 0.266 442 E C -0.529 175.988 176.600 -0.138 0.000 1.012 442 E CA -0.309 55.902 56.400 -0.315 0.000 0.901 442 E CB 0.416 30.081 29.700 -0.059 0.000 0.967 442 E HN 0.655 nan 8.360 nan 0.000 0.435 443 M N 4.615 124.175 119.600 -0.066 0.000 2.261 443 M HA 0.184 4.665 4.480 0.001 0.000 0.350 443 M C 1.154 177.438 176.300 -0.028 0.000 1.343 443 M CA 1.550 56.827 55.300 -0.038 0.000 1.003 443 M CB -0.406 32.187 32.600 -0.012 0.000 1.848 443 M HN 0.705 nan 8.290 nan 0.000 0.456 444 G N 2.757 111.541 108.800 -0.027 0.000 2.189 444 G HA2 -0.206 3.755 3.960 0.001 0.000 0.267 444 G HA3 -0.206 3.755 3.960 0.001 0.000 0.267 444 G C 0.058 174.947 174.900 -0.019 0.000 0.975 444 G CA 0.515 45.604 45.100 -0.019 0.000 0.644 444 G HN 0.726 nan 8.290 nan 0.000 0.537 445 Q N -0.187 119.595 119.800 -0.030 0.000 2.306 445 Q HA 0.554 4.894 4.340 0.001 0.000 0.269 445 Q C -2.557 173.425 176.000 -0.029 0.000 1.053 445 Q CA -1.945 53.844 55.803 -0.023 0.000 0.879 445 Q CB 1.040 29.766 28.738 -0.020 0.000 1.344 445 Q HN 0.158 nan 8.270 nan 0.000 0.464 446 P HA 0.007 nan 4.420 nan 0.000 0.268 446 P C -0.053 177.234 177.300 -0.021 0.000 1.205 446 P CA -0.058 63.033 63.100 -0.014 0.000 0.771 446 P CB 0.492 32.190 31.700 -0.003 0.000 0.858 447 N N 1.563 120.250 118.700 -0.023 0.000 2.371 447 N HA 0.111 4.852 4.740 0.001 0.000 0.243 447 N C -1.203 174.312 175.510 0.008 0.000 1.287 447 N CA -0.026 53.008 53.050 -0.026 0.000 0.911 447 N CB 0.470 38.946 38.487 -0.019 0.000 1.142 447 N HN 0.035 nan 8.380 nan 0.000 0.451 448 V N 1.440 121.373 119.914 0.033 0.000 2.482 448 V HA 0.374 4.495 4.120 0.001 0.000 0.295 448 V C -0.794 175.368 176.094 0.113 0.000 1.026 448 V CA -0.552 61.803 62.300 0.092 0.000 0.856 448 V CB 1.300 33.211 31.823 0.147 0.000 1.001 448 V HN 0.673 nan 8.190 nan 0.000 0.424 449 S N 2.483 118.222 115.700 0.066 0.000 2.541 449 S HA 0.856 5.327 4.470 0.001 0.000 0.271 449 S C -0.410 174.135 174.600 -0.093 0.000 1.133 449 S CA -0.696 57.508 58.200 0.007 0.000 0.876 449 S CB 2.470 65.674 63.200 0.008 0.000 1.105 449 S HN 0.954 nan 8.310 nan 0.000 0.470 450 T N -0.872 113.530 114.554 -0.254 0.000 2.903 450 T HA 0.680 5.031 4.350 0.001 0.000 0.299 450 T C -0.980 173.600 174.700 -0.200 0.000 1.093 450 T CA -1.057 60.876 62.100 -0.279 0.000 1.002 450 T CB 1.541 70.105 68.868 -0.506 0.000 1.127 450 T HN 0.676 nan 8.240 nan 0.000 0.488 451 E N 1.552 121.702 120.200 -0.083 0.000 2.283 451 E HA 0.453 4.803 4.350 0.001 0.000 0.271 451 E C -0.295 176.258 176.600 -0.079 0.000 1.031 451 E CA -1.138 55.257 56.400 -0.007 0.000 0.868 451 E CB 1.484 31.304 29.700 0.199 0.000 1.094 451 E HN 0.710 nan 8.360 nan 0.000 0.401 452 R N 1.701 122.107 120.500 -0.158 0.000 2.368 452 R HA 0.299 4.640 4.340 0.001 0.000 0.302 452 R C -0.753 175.496 176.300 -0.084 0.000 1.002 452 R CA -0.704 55.323 56.100 -0.123 0.000 0.929 452 R CB 0.885 31.087 30.300 -0.164 0.000 1.073 452 R HN 0.472 nan 8.270 nan 0.000 0.464 453 R N 2.773 123.313 120.500 0.066 0.000 2.670 453 R HA 0.353 4.693 4.340 0.001 0.000 0.289 453 R C -0.999 175.453 176.300 0.254 0.000 0.965 453 R CA -0.704 55.511 56.100 0.190 0.000 0.899 453 R CB 2.055 32.573 30.300 0.363 0.000 1.173 453 R HN 0.764 nan 8.270 nan 0.000 0.456 454 E N 1.711 121.950 120.200 0.064 0.000 2.266 454 E HA 0.368 4.719 4.350 0.001 0.000 0.268 454 E C -0.966 175.389 176.600 -0.409 0.000 0.879 454 E CA -1.095 55.225 56.400 -0.134 0.000 0.762 454 E CB 2.707 32.203 29.700 -0.340 0.000 1.199 454 E HN 0.096 nan 8.360 nan 0.000 0.422 455 L N 2.970 123.752 121.223 -0.735 0.000 2.280 455 L HA 0.381 4.722 4.340 0.001 0.000 0.287 455 L C -1.399 175.128 176.870 -0.571 0.000 1.023 455 L CA -0.595 53.647 54.840 -0.997 0.000 0.819 455 L CB 1.319 42.417 42.059 -1.601 0.000 1.212 455 L HN 0.328 nan 8.230 nan 0.000 0.420 456 V N 5.645 125.126 119.914 -0.722 0.000 2.483 456 V HA 0.524 4.645 4.120 0.001 0.000 0.295 456 V C -0.418 175.361 176.094 -0.525 0.000 1.035 456 V CA -0.699 61.190 62.300 -0.686 0.000 0.896 456 V CB 1.927 33.064 31.823 -1.144 0.000 0.986 456 V HN 0.475 nan 8.190 nan 0.000 0.447 457 V N 5.447 125.271 119.914 -0.150 0.000 2.326 457 V HA 0.505 4.625 4.120 0.001 0.000 0.281 457 V C 0.014 176.230 176.094 0.203 0.000 1.015 457 V CA -0.598 61.727 62.300 0.043 0.000 0.823 457 V CB 1.323 33.234 31.823 0.146 0.000 1.009 457 V HN 0.867 nan 8.190 nan 0.000 0.436 458 R N 3.816 124.469 120.500 0.255 0.000 2.445 458 R HA 0.563 4.904 4.340 0.001 0.000 0.308 458 R C -1.819 174.756 176.300 0.460 0.000 0.961 458 R CA -0.581 55.754 56.100 0.391 0.000 0.862 458 R CB 1.649 32.214 30.300 0.442 0.000 1.144 458 R HN 0.667 nan 8.270 nan 0.000 0.447 459 W N 7.006 128.487 121.300 0.302 0.000 2.998 459 W HA 0.522 5.183 4.660 0.001 0.000 0.335 459 W C -1.853 174.849 176.519 0.305 0.000 1.110 459 W CA -0.795 56.706 57.345 0.261 0.000 1.230 459 W CB 1.126 30.731 29.460 0.243 0.000 1.405 459 W HN 0.399 nan 8.180 nan 0.000 0.493 460 I N 5.361 125.723 120.570 -0.346 0.000 2.474 460 I HA 0.445 4.616 4.170 0.001 0.000 0.294 460 I C -0.275 175.400 176.117 -0.737 0.000 1.005 460 I CA -1.010 60.021 61.300 -0.448 0.000 1.113 460 I CB 1.925 39.814 38.000 -0.184 0.000 1.289 460 I HN 0.381 nan 8.210 nan 0.000 0.436 461 S N 3.422 118.747 115.700 -0.625 0.000 2.557 461 S HA 0.622 5.093 4.470 0.001 0.000 0.291 461 S C -0.770 173.745 174.600 -0.141 0.000 1.116 461 S CA -0.289 57.675 58.200 -0.394 0.000 0.992 461 S CB 1.689 64.614 63.200 -0.458 0.000 1.028 461 S HN 0.604 nan 8.310 nan 0.000 0.484 462 T N 3.655 118.159 114.554 -0.084 0.000 2.812 462 T HA 0.538 4.888 4.350 0.001 0.000 0.282 462 T C -1.027 173.659 174.700 -0.024 0.000 0.990 462 T CA -0.473 61.573 62.100 -0.091 0.000 0.960 462 T CB 1.339 70.137 68.868 -0.117 0.000 0.948 462 T HN 0.448 nan 8.240 nan 0.000 0.438 463 V N 3.637 123.526 119.914 -0.042 0.000 2.325 463 V HA 0.654 4.774 4.120 0.001 0.000 0.280 463 V C 1.113 177.133 176.094 -0.124 0.000 1.016 463 V CA 0.141 62.409 62.300 -0.053 0.000 0.818 463 V CB 0.316 32.104 31.823 -0.058 0.000 1.019 463 V HN 1.235 nan 8.190 nan 0.000 0.434 464 G N 5.769 114.588 108.800 0.032 0.000 2.620 464 G HA2 -0.303 3.658 3.960 0.001 0.000 0.315 464 G HA3 -0.303 3.658 3.960 0.001 0.000 0.315 464 G C 0.317 175.151 174.900 -0.110 0.000 1.179 464 G CA 0.627 45.832 45.100 0.176 0.000 0.971 464 G HN 0.909 nan 8.290 nan 0.000 0.544 468 Y N 0.964 121.110 120.300 -0.256 0.000 2.393 468 Y HA 0.672 5.223 4.550 0.001 0.000 0.341 468 Y C -0.009 175.646 175.900 -0.409 0.000 0.988 468 Y CA -0.870 57.027 58.100 -0.339 0.000 1.078 468 Y CB 1.415 39.813 38.460 -0.102 0.000 1.203 468 Y HN 0.243 nan 8.280 nan 0.000 0.453 469 I N 3.900 124.190 120.570 -0.465 0.000 2.433 469 I HA 0.428 4.599 4.170 0.001 0.000 0.292 469 I C -1.246 174.609 176.117 -0.437 0.000 1.001 469 I CA -0.609 60.497 61.300 -0.324 0.000 1.119 469 I CB 1.234 39.035 38.000 -0.331 0.000 1.289 469 I HN 0.359 nan 8.210 nan 0.000 0.438 470 F N 3.255 123.308 119.950 0.172 0.000 2.518 470 F HA 0.450 4.978 4.527 0.001 0.000 0.323 470 F C -0.441 175.541 175.800 0.304 0.000 1.129 470 F CA -0.742 57.419 58.000 0.268 0.000 0.920 470 F CB 1.620 40.941 39.000 0.536 0.000 1.160 470 F HN 0.316 nan 8.300 nan 0.000 0.440 471 D N 2.175 122.724 120.400 0.249 0.000 2.375 471 D HA 0.269 4.909 4.640 0.001 0.000 0.247 471 D C -1.415 174.773 176.300 -0.185 0.000 1.061 471 D CA -0.256 53.824 54.000 0.133 0.000 0.834 471 D CB 1.422 42.253 40.800 0.051 0.000 1.247 471 D HN 0.344 nan 8.370 nan 0.000 0.489 472 W N 2.699 123.916 121.300 -0.138 0.000 2.296 472 W HA 0.482 5.142 4.660 0.001 0.000 0.316 472 W C -0.165 176.073 176.519 -0.469 0.000 1.022 472 W CA -0.589 56.542 57.345 -0.355 0.000 1.324 472 W CB 0.546 29.817 29.460 -0.314 0.000 1.227 472 W HN 0.133 nan 8.180 nan 0.000 0.409 473 I N 4.274 124.586 120.570 -0.430 0.000 2.328 473 I HA 0.292 4.463 4.170 0.001 0.000 0.287 473 I C -0.712 175.140 176.117 -0.440 0.000 1.012 473 I CA -0.800 60.278 61.300 -0.370 0.000 1.195 473 I CB 0.429 38.280 38.000 -0.248 0.000 1.350 473 I HN 0.104 nan 8.210 nan 0.000 0.464 474 F N 4.891 124.660 119.950 -0.301 0.000 2.371 474 F HA 0.349 4.877 4.527 0.001 0.000 0.363 474 F C 0.845 176.739 175.800 0.155 0.000 1.122 474 F CA -0.353 57.459 58.000 -0.312 0.000 1.129 474 F CB 0.274 38.831 39.000 -0.737 0.000 1.173 474 F HN 0.407 nan 8.300 nan 0.000 0.489 475 H N 2.324 121.596 119.070 0.336 0.000 2.525 475 H HA 0.058 4.614 4.556 0.001 0.000 0.339 475 H C 1.046 176.844 175.328 0.783 0.000 1.109 475 H CA -0.354 55.960 56.048 0.443 0.000 1.352 475 H CB 1.605 31.524 29.762 0.262 0.000 1.461 475 H HN 0.734 nan 8.280 nan 0.000 0.533 476 E N 2.913 123.549 120.200 0.726 0.000 2.160 476 E HA -0.219 4.132 4.350 0.001 0.000 0.195 476 E C 1.145 177.982 176.600 0.396 0.000 0.991 476 E CA 1.413 58.090 56.400 0.463 0.000 0.810 476 E CB -0.018 29.778 29.700 0.160 0.000 0.742 476 E HN 0.772 nan 8.360 nan 0.000 0.466 477 N N -1.143 117.764 118.700 0.345 0.000 2.575 477 N HA -0.034 4.707 4.740 0.001 0.000 0.192 477 N C 1.143 176.740 175.510 0.144 0.000 1.200 477 N CA 0.509 53.660 53.050 0.167 0.000 0.897 477 N CB 0.444 39.002 38.487 0.118 0.000 0.990 477 N HN 0.288 nan 8.380 nan 0.000 0.449 478 G N -0.327 108.745 108.800 0.453 0.000 2.234 478 G HA2 -0.261 3.699 3.960 0.001 0.000 0.235 478 G HA3 -0.261 3.699 3.960 0.001 0.000 0.235 478 G C 0.231 175.525 174.900 0.658 0.000 0.997 478 G CA 0.258 45.655 45.100 0.494 0.000 0.623 478 G HN 0.423 nan 8.290 nan 0.000 0.514 479 T N 1.339 116.109 114.554 0.361 0.000 2.899 479 T HA 0.593 4.944 4.350 0.001 0.000 0.295 479 T C 0.372 175.096 174.700 0.039 0.000 1.033 479 T CA 0.444 62.575 62.100 0.052 0.000 1.084 479 T CB 1.245 69.861 68.868 -0.421 0.000 0.979 479 T HN 0.338 nan 8.240 nan 0.000 0.532 480 I N 1.616 122.130 120.570 -0.093 0.000 2.466 480 I HA 0.516 4.686 4.170 0.001 0.000 0.289 480 I C 0.551 176.490 176.117 -0.296 0.000 1.026 480 I CA -0.814 60.326 61.300 -0.267 0.000 1.078 480 I CB 2.002 39.791 38.000 -0.353 0.000 1.249 480 I HN 0.688 nan 8.210 nan 0.000 0.429 481 G N 6.489 115.115 108.800 -0.290 0.000 2.432 481 G HA2 0.838 4.798 3.960 0.001 0.000 0.331 481 G HA3 0.838 4.798 3.960 0.001 0.000 0.331 481 G C -0.944 173.680 174.900 -0.461 0.000 1.170 481 G CA -0.483 44.459 45.100 -0.264 0.000 0.943 481 G HN 0.504 nan 8.290 nan 0.000 0.483 482 I N 1.628 121.889 120.570 -0.516 0.000 2.503 482 I HA 0.277 4.448 4.170 0.001 0.000 0.282 482 I C -1.436 174.358 176.117 -0.537 0.000 1.059 482 I CA -0.744 60.051 61.300 -0.840 0.000 1.081 482 I CB 2.143 39.283 38.000 -1.432 0.000 1.210 482 I HN 0.209 nan 8.210 nan 0.000 0.450 483 D N 4.884 125.077 120.400 -0.344 0.000 2.340 483 D HA 0.787 5.428 4.640 0.001 0.000 0.240 483 D C -0.630 175.651 176.300 -0.032 0.000 1.001 483 D CA -0.365 53.587 54.000 -0.080 0.000 0.888 483 D CB 2.496 43.348 40.800 0.087 0.000 1.310 483 D HN 0.561 nan 8.370 nan 0.000 0.474 484 A N 0.567 123.311 122.820 -0.127 0.000 2.359 484 A HA 0.742 5.063 4.320 0.001 0.000 0.303 484 A C -0.040 177.131 177.584 -0.688 0.000 1.066 484 A CA -0.668 51.007 52.037 -0.604 0.000 0.730 484 A CB 1.482 19.813 19.000 -1.115 0.000 1.211 484 A HN 0.480 nan 8.150 nan 0.000 0.439 485 G N 0.424 108.555 108.800 -1.115 0.000 2.420 485 G HA2 0.752 4.713 3.960 0.001 0.000 0.331 485 G HA3 0.752 4.713 3.960 0.001 0.000 0.331 485 G C -0.430 173.944 174.900 -0.878 0.000 1.168 485 G CA 0.034 44.204 45.100 -1.551 0.000 0.936 485 G HN 1.604 nan 8.290 nan 0.000 0.479 486 A N 0.844 123.229 122.820 -0.725 0.000 2.371 486 A HA 0.917 5.237 4.320 0.001 0.000 0.311 486 A C -0.167 177.087 177.584 -0.551 0.000 1.068 486 A CA -0.376 51.326 52.037 -0.558 0.000 0.744 486 A CB 2.182 20.915 19.000 -0.445 0.000 1.239 486 A HN 1.213 nan 8.150 nan 0.000 0.435 487 T N 0.122 114.344 114.554 -0.553 0.000 2.648 487 T HA 0.820 5.170 4.350 0.001 0.000 0.304 487 T C 0.116 174.548 174.700 -0.445 0.000 1.312 487 T CA 0.955 62.801 62.100 -0.423 0.000 1.023 487 T CB 0.914 69.555 68.868 -0.379 0.000 1.612 487 T HN 2.777 nan 8.240 nan 0.000 0.487 488 G N 0.531 109.089 108.800 -0.403 0.000 2.342 488 G HA2 0.142 4.103 3.960 0.001 0.000 0.220 488 G HA3 0.142 4.103 3.960 0.001 0.000 0.220 488 G C -1.743 172.880 174.900 -0.462 0.000 1.243 488 G CA -0.302 44.511 45.100 -0.478 0.000 1.083 488 G HN 0.853 nan 8.290 nan 0.000 0.500 489 I N 1.336 121.570 120.570 -0.560 0.000 2.354 489 I HA 0.452 4.622 4.170 0.001 0.000 0.292 489 I C 0.744 176.688 176.117 -0.289 0.000 0.989 489 I CA -0.958 60.058 61.300 -0.472 0.000 1.188 489 I CB 1.039 38.647 38.000 -0.653 0.000 1.342 489 I HN 0.677 nan 8.210 nan 0.000 0.457 490 E N 3.402 123.636 120.200 0.056 0.000 2.383 490 E HA 0.383 4.734 4.350 0.001 0.000 0.264 490 E C -0.247 176.463 176.600 0.183 0.000 1.050 490 E CA -0.466 56.025 56.400 0.152 0.000 0.896 490 E CB 1.132 31.003 29.700 0.285 0.000 0.982 490 E HN 0.735 nan 8.360 nan 0.000 0.424 491 A N 3.606 126.524 122.820 0.163 0.000 2.396 491 A HA 0.309 4.630 4.320 0.001 0.000 0.279 491 A C -0.112 177.725 177.584 0.422 0.000 1.165 491 A CA -0.477 51.736 52.037 0.293 0.000 0.824 491 A CB -0.191 18.957 19.000 0.247 0.000 1.100 491 A HN 0.383 nan 8.150 nan 0.000 0.516 492 V N 0.602 120.771 119.914 0.424 0.000 2.919 492 V HA 0.734 4.854 4.120 0.001 0.000 0.316 492 V C -0.262 176.112 176.094 0.466 0.000 1.077 492 V CA -1.113 61.347 62.300 0.267 0.000 0.977 492 V CB 1.676 33.440 31.823 -0.098 0.000 1.039 492 V HN 0.844 nan 8.190 nan 0.000 0.441 493 K N 1.982 122.524 120.400 0.237 0.000 2.206 493 K HA 0.672 4.993 4.320 0.001 0.000 0.264 493 K C 0.208 176.884 176.600 0.126 0.000 0.967 493 K CA -0.206 56.241 56.287 0.266 0.000 0.844 493 K CB 1.366 33.812 32.500 -0.089 0.000 1.099 493 K HN 1.214 nan 8.250 nan 0.000 0.441 494 G N 2.514 111.413 108.800 0.164 0.000 2.380 494 G HA2 0.426 4.387 3.960 0.001 0.000 0.262 494 G HA3 0.426 4.387 3.960 0.001 0.000 0.262 494 G C -0.523 174.417 174.900 0.067 0.000 1.243 494 G CA -0.368 44.795 45.100 0.105 0.000 0.865 494 G HN 0.514 nan 8.290 nan 0.000 0.513 495 V N 0.037 119.975 119.914 0.041 0.000 3.130 495 V HA 0.582 4.703 4.120 0.001 0.000 0.310 495 V C 0.747 176.858 176.094 0.030 0.000 1.158 495 V CA -1.160 61.155 62.300 0.024 0.000 1.029 495 V CB 2.079 33.898 31.823 -0.006 0.000 1.057 495 V HN 0.649 nan 8.190 nan 0.000 0.436 496 K N 0.926 121.340 120.400 0.023 0.000 2.228 496 K HA 0.371 4.692 4.320 0.001 0.000 0.202 496 K C 1.001 177.614 176.600 0.023 0.000 1.051 496 K CA 1.080 57.382 56.287 0.024 0.000 0.960 496 K CB 0.143 32.653 32.500 0.018 0.000 0.743 496 K HN 0.946 nan 8.250 nan 0.000 0.458 497 A N 1.661 124.490 122.820 0.015 0.000 2.440 497 A HA 0.066 4.387 4.320 0.001 0.000 0.251 497 A C 0.624 178.234 177.584 0.043 0.000 1.089 497 A CA 0.026 52.073 52.037 0.018 0.000 0.779 497 A CB 0.469 19.470 19.000 0.000 0.000 1.022 497 A HN 0.117 nan 8.150 nan 0.000 0.492 498 K N 0.189 120.621 120.400 0.054 0.000 2.276 498 K HA 0.072 4.392 4.320 0.001 0.000 0.198 498 K C 0.596 177.322 176.600 0.210 0.000 1.052 498 K CA 1.416 57.773 56.287 0.116 0.000 0.984 498 K CB 0.261 32.734 32.500 -0.045 0.000 0.836 498 K HN 0.923 nan 8.250 nan 0.000 0.490 499 T N -3.163 111.445 114.554 0.090 0.000 2.812 499 T HA 0.272 4.623 4.350 0.001 0.000 0.294 499 T C 0.620 175.286 174.700 -0.057 0.000 1.159 499 T CA -0.815 61.307 62.100 0.037 0.000 1.008 499 T CB 1.249 70.149 68.868 0.054 0.000 1.289 499 T HN -0.285 nan 8.240 nan 0.000 0.514 500 M N 0.431 119.919 119.600 -0.187 0.000 2.630 500 M HA 0.067 4.548 4.480 0.001 0.000 0.254 500 M C 1.181 177.368 176.300 -0.188 0.000 1.092 500 M CA 1.159 56.335 55.300 -0.206 0.000 1.087 500 M CB -1.650 30.799 32.600 -0.251 0.000 1.453 500 M HN 0.758 nan 8.290 nan 0.000 0.509 501 H N -1.015 118.059 119.070 0.007 0.000 2.553 501 H HA 0.091 4.648 4.556 0.001 0.000 0.265 501 H C 0.100 175.428 175.328 -0.001 0.000 0.964 501 H CA -0.431 55.619 56.048 0.003 0.000 1.156 501 H CB 0.384 30.150 29.762 0.007 0.000 1.411 501 H HN 0.213 nan 8.280 nan 0.000 0.558 502 D N 0.890 121.340 120.400 0.083 0.000 2.357 502 D HA -0.069 4.572 4.640 0.001 0.000 0.242 502 D C 1.379 177.695 176.300 0.028 0.000 1.153 502 D CA 0.023 54.052 54.000 0.049 0.000 0.918 502 D CB 0.905 41.723 40.800 0.030 0.000 1.181 502 D HN 0.535 nan 8.370 nan 0.000 0.435 503 E N -0.552 119.659 120.200 0.020 0.000 2.085 503 E HA -0.240 4.111 4.350 0.001 0.000 0.194 503 E C 1.124 177.723 176.600 -0.001 0.000 0.994 503 E CA 1.584 57.990 56.400 0.009 0.000 0.801 503 E CB -0.361 29.343 29.700 0.007 0.000 0.743 503 E HN 0.468 nan 8.360 nan 0.000 0.453 504 T N -2.360 112.192 114.554 -0.003 0.000 3.129 504 T HA 0.445 4.796 4.350 0.001 0.000 0.251 504 T C 1.826 176.511 174.700 -0.026 0.000 1.117 504 T CA 0.268 62.361 62.100 -0.013 0.000 1.034 504 T CB 0.378 69.242 68.868 -0.007 0.000 0.968 504 T HN 0.340 nan 8.240 nan 0.000 0.526 505 A N 3.077 125.882 122.820 -0.025 0.000 1.881 505 A HA -0.235 4.086 4.320 0.001 0.000 0.219 505 A C 2.379 179.923 177.584 -0.065 0.000 1.215 505 A CA 2.060 54.071 52.037 -0.043 0.000 0.648 505 A CB -0.881 18.093 19.000 -0.043 0.000 0.832 505 A HN 0.399 nan 8.150 nan 0.000 0.455 506 K N -0.210 120.153 120.400 -0.063 0.000 2.044 506 K HA -0.219 4.102 4.320 0.001 0.000 0.210 506 K C 1.544 178.077 176.600 -0.113 0.000 1.049 506 K CA 2.267 58.505 56.287 -0.083 0.000 0.927 506 K CB -0.664 31.798 32.500 -0.064 0.000 0.713 506 K HN 0.567 nan 8.250 nan 0.000 0.443 507 D N 0.764 121.109 120.400 -0.092 0.000 2.149 507 D HA -0.118 4.523 4.640 0.001 0.000 0.201 507 D C 1.532 177.760 176.300 -0.120 0.000 0.972 507 D CA 0.847 54.782 54.000 -0.108 0.000 0.835 507 D CB -0.204 40.562 40.800 -0.058 0.000 0.966 507 D HN 0.265 nan 8.370 nan 0.000 0.476 508 D N 0.233 120.583 120.400 -0.085 0.000 2.178 508 D HA -0.103 4.538 4.640 0.001 0.000 0.201 508 D C 1.863 178.093 176.300 -0.117 0.000 0.980 508 D CA 1.269 55.223 54.000 -0.076 0.000 0.842 508 D CB -0.277 40.491 40.800 -0.054 0.000 0.948 508 D HN 0.315 nan 8.370 nan 0.000 0.472 509 T N -2.305 112.163 114.554 -0.143 0.000 3.163 509 T HA 0.161 4.512 4.350 0.001 0.000 0.252 509 T C 1.496 176.051 174.700 -0.241 0.000 1.056 509 T CA -0.417 61.585 62.100 -0.164 0.000 0.947 509 T CB 0.448 69.237 68.868 -0.132 0.000 1.016 509 T HN -0.011 nan 8.240 nan 0.000 0.554 510 R N 0.341 120.612 120.500 -0.381 0.000 2.152 510 R HA -0.064 4.277 4.340 0.001 0.000 0.232 510 R C 0.361 176.225 176.300 -0.727 0.000 1.117 510 R CA 1.314 57.036 56.100 -0.629 0.000 0.981 510 R CB -0.104 29.644 30.300 -0.920 0.000 0.870 510 R HN 0.584 nan 8.270 nan 0.000 0.451 511 Y N -1.517 118.704 120.300 -0.132 0.000 2.660 511 Y HA 0.502 5.052 4.550 0.001 0.000 0.254 511 Y C 0.453 176.248 175.900 -0.175 0.000 1.176 511 Y CA -0.053 57.956 58.100 -0.151 0.000 1.195 511 Y CB 1.448 39.806 38.460 -0.170 0.000 1.190 511 Y HN 0.117 nan 8.280 nan 0.000 0.535 512 G N -0.852 107.892 108.800 -0.094 0.000 2.368 512 G HA2 0.367 4.328 3.960 0.001 0.000 0.293 512 G HA3 0.367 4.328 3.960 0.001 0.000 0.293 512 G C -1.255 173.570 174.900 -0.125 0.000 1.467 512 G CA -0.914 44.117 45.100 -0.115 0.000 0.804 512 G HN -0.181 nan 8.290 nan 0.000 0.535 513 T N 0.514 114.996 114.554 -0.120 0.000 2.909 513 T HA 0.432 4.782 4.350 0.001 0.000 0.289 513 T C 0.080 174.705 174.700 -0.125 0.000 1.005 513 T CA -0.211 61.824 62.100 -0.108 0.000 1.084 513 T CB 1.526 70.345 68.868 -0.082 0.000 0.975 513 T HN 0.611 nan 8.240 nan 0.000 0.509 514 L N 4.945 126.099 121.223 -0.114 0.000 2.363 514 L HA 0.359 4.699 4.340 0.001 0.000 0.286 514 L C 0.846 177.636 176.870 -0.134 0.000 1.106 514 L CA 0.007 54.772 54.840 -0.124 0.000 0.859 514 L CB -0.459 41.543 42.059 -0.095 0.000 1.223 514 L HN 0.725 nan 8.230 nan 0.000 0.446 515 I N -0.037 120.415 120.570 -0.197 0.000 3.883 515 I HA 0.438 4.609 4.170 0.001 0.000 0.326 515 I C -0.089 175.892 176.117 -0.228 0.000 1.283 515 I CA 0.085 61.271 61.300 -0.190 0.000 1.161 515 I CB 0.106 37.987 38.000 -0.198 0.000 1.012 515 I HN 0.464 nan 8.210 nan 0.000 0.421 516 D N -0.212 120.024 120.400 -0.274 0.000 2.710 516 D HA 0.262 4.903 4.640 0.001 0.000 0.276 516 D C -1.075 175.126 176.300 -0.164 0.000 1.267 516 D CA -0.559 53.300 54.000 -0.235 0.000 0.772 516 D CB 1.231 41.905 40.800 -0.209 0.000 1.299 516 D HN 0.172 nan 8.370 nan 0.000 0.421 517 H N 1.076 120.158 119.070 0.020 0.000 3.004 517 H HA 0.164 4.721 4.556 0.001 0.000 0.316 517 H C 0.450 175.783 175.328 0.008 0.000 1.014 517 H CA 0.862 56.922 56.048 0.020 0.000 1.454 517 H CB -0.050 29.744 29.762 0.053 0.000 1.472 517 H HN 0.372 nan 8.280 nan 0.000 0.571 518 N N 0.916 119.686 118.700 0.117 0.000 2.713 518 N HA -0.203 4.537 4.740 0.001 0.000 0.251 518 N C -1.103 174.413 175.510 0.009 0.000 1.117 518 N CA 0.783 53.871 53.050 0.062 0.000 0.770 518 N CB -0.807 37.736 38.487 0.095 0.000 1.137 518 N HN 0.471 nan 8.380 nan 0.000 0.566 519 I N 0.547 121.076 120.570 -0.069 0.000 2.478 519 I HA 0.377 4.548 4.170 0.001 0.000 0.287 519 I C -0.529 175.440 176.117 -0.247 0.000 1.042 519 I CA -0.913 60.275 61.300 -0.186 0.000 1.067 519 I CB 1.918 39.709 38.000 -0.349 0.000 1.233 519 I HN -0.247 nan 8.210 nan 0.000 0.431 520 V N 4.766 124.561 119.914 -0.198 0.000 2.495 520 V HA 0.497 4.618 4.120 0.001 0.000 0.298 520 V C 0.549 176.521 176.094 -0.203 0.000 1.031 520 V CA -0.546 61.636 62.300 -0.197 0.000 0.871 520 V CB 1.910 33.638 31.823 -0.158 0.000 0.988 520 V HN 0.869 nan 8.190 nan 0.000 0.432 521 G N 2.611 111.295 108.800 -0.194 0.000 2.530 521 G HA2 0.340 4.301 3.960 0.001 0.000 0.313 521 G HA3 0.340 4.301 3.960 0.001 0.000 0.313 521 G C 0.256 175.097 174.900 -0.099 0.000 0.971 521 G CA -0.159 44.865 45.100 -0.126 0.000 1.237 521 G HN 0.654 nan 8.290 nan 0.000 0.446 522 T N 2.660 117.163 114.554 -0.086 0.000 2.871 522 T HA 0.089 4.440 4.350 0.001 0.000 0.296 522 T C 1.155 175.940 174.700 0.142 0.000 0.998 522 T CA 0.377 62.417 62.100 -0.101 0.000 1.162 522 T CB 0.396 68.966 68.868 -0.496 0.000 0.947 522 T HN 0.438 nan 8.240 nan 0.000 0.536 523 T N 5.626 120.181 114.554 0.001 0.000 2.946 523 T HA 0.190 4.540 4.350 0.001 0.000 0.311 523 T C 0.329 174.988 174.700 -0.068 0.000 1.063 523 T CA -0.016 62.019 62.100 -0.108 0.000 1.139 523 T CB -0.035 68.757 68.868 -0.126 0.000 0.994 523 T HN 0.852 nan 8.240 nan 0.000 0.547 524 H N 0.072 118.931 119.070 -0.352 0.000 2.902 524 H HA 0.494 5.051 4.556 0.001 0.000 0.297 524 H C -1.321 173.766 175.328 -0.402 0.000 1.406 524 H CA -1.090 54.622 56.048 -0.560 0.000 1.134 524 H CB 1.027 29.971 29.762 -1.364 0.000 1.833 524 H HN 0.533 nan 8.280 nan 0.000 0.527 525 Q N -0.092 119.498 119.800 -0.350 0.000 2.458 525 Q HA 0.387 4.728 4.340 0.001 0.000 0.282 525 Q C -1.054 174.745 176.000 -0.335 0.000 1.106 525 Q CA -0.978 54.666 55.803 -0.265 0.000 0.814 525 Q CB 2.866 31.528 28.738 -0.127 0.000 1.425 525 Q HN 0.509 nan 8.270 nan 0.000 0.437 526 H N 1.136 120.173 119.070 -0.055 0.000 2.708 526 H HA 0.448 5.004 4.556 0.001 0.000 0.320 526 H C -0.955 174.172 175.328 -0.334 0.000 0.991 526 H CA -0.263 55.675 56.048 -0.183 0.000 1.243 526 H CB 0.847 30.557 29.762 -0.087 0.000 1.446 526 H HN 0.445 nan 8.280 nan 0.000 0.502 527 I N 4.948 125.334 120.570 -0.306 0.000 2.420 527 I HA 0.177 4.348 4.170 0.001 0.000 0.282 527 I C -0.772 175.215 176.117 -0.217 0.000 1.019 527 I CA -0.649 60.541 61.300 -0.184 0.000 1.130 527 I CB 0.700 38.646 38.000 -0.089 0.000 1.262 527 I HN 0.357 nan 8.210 nan 0.000 0.454 528 Y N 4.296 124.670 120.300 0.124 0.000 2.387 528 Y HA 0.464 5.014 4.550 0.001 0.000 0.330 528 Y C 0.186 176.055 175.900 -0.053 0.000 1.133 528 Y CA -0.848 57.253 58.100 0.000 0.000 1.152 528 Y CB 1.173 39.593 38.460 -0.067 0.000 1.215 528 Y HN 0.498 nan 8.280 nan 0.000 0.466 529 N N 1.112 119.765 118.700 -0.079 0.000 2.371 529 N HA 0.515 5.256 4.740 0.001 0.000 0.291 529 N C -2.155 173.179 175.510 -0.293 0.000 1.053 529 N CA -0.464 52.574 53.050 -0.021 0.000 0.870 529 N CB 0.899 39.466 38.487 0.134 0.000 1.503 529 N HN 0.378 nan 8.380 nan 0.000 0.485 530 F N 1.451 121.543 119.950 0.237 0.000 2.458 530 F HA 0.464 4.992 4.527 0.001 0.000 0.336 530 F C 0.653 176.484 175.800 0.051 0.000 1.114 530 F CA -0.840 57.250 58.000 0.150 0.000 0.987 530 F CB 1.569 40.620 39.000 0.085 0.000 1.130 530 F HN 0.298 nan 8.300 nan 0.000 0.458 531 R N 4.983 125.511 120.500 0.046 0.000 2.215 531 R HA 0.581 4.922 4.340 0.001 0.000 0.336 531 R C -1.854 174.284 176.300 -0.270 0.000 0.996 531 R CA -0.376 55.434 56.100 -0.484 0.000 0.847 531 R CB 0.285 30.058 30.300 -0.879 0.000 1.127 531 R HN 0.816 nan 8.270 nan 0.000 0.465 532 L N 4.501 125.575 121.223 -0.249 0.000 2.324 532 L HA 0.266 4.607 4.340 0.001 0.000 0.274 532 L C -0.318 176.478 176.870 -0.123 0.000 1.012 532 L CA -0.822 53.955 54.840 -0.105 0.000 0.859 532 L CB 1.540 43.591 42.059 -0.013 0.000 1.224 532 L HN 0.546 nan 8.230 nan 0.000 0.429 533 D N 4.564 124.910 120.400 -0.090 0.000 2.551 533 D HA 0.223 4.864 4.640 0.001 0.000 0.223 533 D C -0.075 176.259 176.300 0.057 0.000 1.144 533 D CA -0.056 53.943 54.000 -0.003 0.000 1.025 533 D CB 0.149 40.995 40.800 0.077 0.000 1.085 533 D HN 0.320 nan 8.370 nan 0.000 0.506 534 L N 1.807 123.047 121.223 0.028 0.000 2.397 534 L HA 0.254 4.595 4.340 0.001 0.000 0.271 534 L C 0.288 177.203 176.870 0.074 0.000 1.148 534 L CA -0.095 54.764 54.840 0.031 0.000 0.825 534 L CB 0.756 42.796 42.059 -0.030 0.000 1.117 534 L HN 0.106 nan 8.230 nan 0.000 0.456 535 D N 1.926 122.392 120.400 0.111 0.000 2.412 535 D HA 0.167 4.808 4.640 0.001 0.000 0.276 535 D C -0.479 175.863 176.300 0.070 0.000 1.196 535 D CA -0.258 53.799 54.000 0.096 0.000 0.905 535 D CB 1.479 42.366 40.800 0.146 0.000 1.081 535 D HN 0.036 nan 8.370 nan 0.000 0.502 536 V N 2.466 122.430 119.914 0.085 0.000 2.415 536 V HA -0.045 4.076 4.120 0.001 0.000 0.252 536 V C 0.951 177.176 176.094 0.218 0.000 1.043 536 V CA 0.207 62.623 62.300 0.193 0.000 1.149 536 V CB -0.418 31.550 31.823 0.243 0.000 1.143 536 V HN 0.550 nan 8.190 nan 0.000 0.478 537 D N 3.180 123.726 120.400 0.245 0.000 2.837 537 D HA -0.120 4.521 4.640 0.001 0.000 0.230 537 D C 0.354 176.620 176.300 -0.057 0.000 1.152 537 D CA 1.766 55.807 54.000 0.069 0.000 0.736 537 D CB -1.024 39.727 40.800 -0.083 0.000 1.084 537 D HN 1.261 nan 8.370 nan 0.000 0.429 538 G N -1.512 107.233 108.800 -0.091 0.000 2.353 538 G HA2 0.170 4.131 3.960 0.001 0.000 0.308 538 G HA3 0.170 4.131 3.960 0.001 0.000 0.308 538 G C 0.103 174.944 174.900 -0.099 0.000 1.418 538 G CA 0.151 45.167 45.100 -0.139 0.000 0.966 538 G HN 0.022 nan 8.290 nan 0.000 0.638 539 E N -0.114 120.021 120.200 -0.109 0.000 2.046 539 E HA 0.006 4.357 4.350 0.001 0.000 0.190 539 E C 1.119 177.702 176.600 -0.027 0.000 0.982 539 E CA 0.684 57.044 56.400 -0.067 0.000 0.800 539 E CB 0.033 29.685 29.700 -0.081 0.000 0.756 539 E HN 0.400 nan 8.360 nan 0.000 0.449 540 N N 2.230 120.916 118.700 -0.023 0.000 2.400 540 N HA 0.045 4.786 4.740 0.001 0.000 0.267 540 N C -0.720 174.798 175.510 0.013 0.000 1.208 540 N CA 0.207 53.257 53.050 -0.001 0.000 0.951 540 N CB 0.347 38.832 38.487 -0.003 0.000 1.227 540 N HN 0.116 nan 8.380 nan 0.000 0.488 541 N N 0.104 118.820 118.700 0.028 0.000 2.653 541 N HA 0.465 5.205 4.740 0.001 0.000 0.294 541 N C -0.682 174.854 175.510 0.043 0.000 1.305 541 N CA -0.431 52.643 53.050 0.040 0.000 0.827 541 N CB 1.384 39.903 38.487 0.053 0.000 1.415 541 N HN 0.161 nan 8.380 nan 0.000 0.546 542 S N 0.116 115.842 115.700 0.043 0.000 2.541 542 S HA 0.438 4.909 4.470 0.001 0.000 0.271 542 S C -1.357 173.264 174.600 0.035 0.000 1.133 542 S CA -0.560 57.664 58.200 0.040 0.000 0.876 542 S CB 1.870 65.089 63.200 0.032 0.000 1.105 542 S HN 0.403 nan 8.310 nan 0.000 0.470 543 L N 3.575 124.820 121.223 0.036 0.000 2.276 543 L HA 0.681 5.022 4.340 0.001 0.000 0.286 543 L C -1.115 175.743 176.870 -0.020 0.000 1.061 543 L CA -0.017 54.835 54.840 0.020 0.000 0.807 543 L CB 0.756 42.842 42.059 0.044 0.000 1.177 543 L HN 0.455 nan 8.230 nan 0.000 0.429 544 V N 4.637 124.509 119.914 -0.070 0.000 2.604 544 V HA 0.842 4.963 4.120 0.001 0.000 0.305 544 V C 0.018 175.966 176.094 -0.242 0.000 1.043 544 V CA -0.599 61.617 62.300 -0.140 0.000 0.888 544 V CB 1.481 33.229 31.823 -0.126 0.000 0.995 544 V HN 0.941 nan 8.190 nan 0.000 0.429 545 A N 5.520 128.087 122.820 -0.421 0.000 2.317 545 A HA 0.929 5.250 4.320 0.001 0.000 0.327 545 A C -0.530 176.728 177.584 -0.543 0.000 1.178 545 A CA -0.570 51.123 52.037 -0.573 0.000 0.817 545 A CB 0.974 19.358 19.000 -1.026 0.000 1.189 545 A HN 0.839 nan 8.150 nan 0.000 0.489 546 M N 3.023 122.413 119.600 -0.351 0.000 2.007 546 M HA 0.233 4.714 4.480 0.001 0.000 0.285 546 M C -1.594 174.627 176.300 -0.132 0.000 0.893 546 M CA -0.455 54.713 55.300 -0.221 0.000 0.925 546 M CB 1.509 33.979 32.600 -0.217 0.000 1.568 546 M HN 0.557 nan 8.290 nan 0.000 0.414 547 D N 4.829 125.196 120.400 -0.055 0.000 2.359 547 D HA 0.342 4.983 4.640 0.001 0.000 0.230 547 D C -2.440 173.873 176.300 0.020 0.000 1.118 547 D CA -1.422 52.577 54.000 -0.001 0.000 0.844 547 D CB 1.123 41.968 40.800 0.076 0.000 1.059 547 D HN 0.154 nan 8.370 nan 0.000 0.493 548 P HA 0.025 nan 4.420 nan 0.000 0.267 548 P C -0.379 176.935 177.300 0.024 0.000 1.209 548 P CA -0.243 62.872 63.100 0.025 0.000 0.763 548 P CB 0.754 32.470 31.700 0.026 0.000 0.816 549 V N 1.424 121.355 119.914 0.028 0.000 3.078 549 V HA 0.565 4.686 4.120 0.001 0.000 0.311 549 V C -0.532 175.574 176.094 0.021 0.000 1.138 549 V CA -1.151 61.164 62.300 0.024 0.000 1.007 549 V CB 2.238 34.078 31.823 0.028 0.000 1.045 549 V HN 0.087 nan 8.190 nan 0.000 0.432 550 V N 3.213 123.137 119.914 0.016 0.000 2.364 550 V HA 0.508 4.628 4.120 0.001 0.000 0.272 550 V C 0.136 176.238 176.094 0.013 0.000 1.036 550 V CA -0.391 61.917 62.300 0.014 0.000 0.880 550 V CB 0.869 32.698 31.823 0.011 0.000 0.991 550 V HN 0.877 nan 8.190 nan 0.000 0.460 551 K N 5.514 125.922 120.400 0.014 0.000 2.203 551 K HA 0.535 4.856 4.320 0.001 0.000 0.251 551 K C -2.798 173.808 176.600 0.010 0.000 0.944 551 K CA -2.372 53.923 56.287 0.012 0.000 0.829 551 K CB 2.092 34.600 32.500 0.015 0.000 1.125 551 K HN 0.241 nan 8.250 nan 0.000 0.430 552 P HA -0.015 nan 4.420 nan 0.000 0.268 552 P C -0.295 177.009 177.300 0.007 0.000 1.204 552 P CA 0.042 63.146 63.100 0.007 0.000 0.768 552 P CB 0.300 32.003 31.700 0.005 0.000 0.842 553 N N 2.061 120.765 118.700 0.007 0.000 2.475 553 N HA 0.057 4.798 4.740 0.001 0.000 0.267 553 N C 0.215 175.728 175.510 0.006 0.000 1.169 553 N CA 0.011 53.065 53.050 0.007 0.000 0.947 553 N CB 0.351 38.841 38.487 0.006 0.000 1.061 553 N HN 0.370 nan 8.380 nan 0.000 0.466 554 T N 0.208 114.765 114.554 0.006 0.000 3.200 554 T HA 0.335 4.686 4.350 0.001 0.000 0.284 554 T C 0.752 175.455 174.700 0.005 0.000 1.009 554 T CA -0.360 61.743 62.100 0.005 0.000 0.907 554 T CB 0.542 69.413 68.868 0.006 0.000 1.120 554 T HN 0.428 nan 8.240 nan 0.000 0.534 555 A N 0.736 123.559 122.820 0.005 0.000 2.390 555 A HA 0.781 5.101 4.320 0.001 0.000 0.232 555 A C 1.370 178.957 177.584 0.004 0.000 1.233 555 A CA 0.158 52.198 52.037 0.005 0.000 0.907 555 A CB -0.439 18.564 19.000 0.005 0.000 0.967 555 A HN 1.470 nan 8.150 nan 0.000 0.512 556 G N -2.007 106.795 108.800 0.004 0.000 2.712 556 G HA2 0.497 4.457 3.960 0.001 0.000 0.683 556 G HA3 0.497 4.457 3.960 0.001 0.000 0.683 556 G C 0.665 175.566 174.900 0.003 0.000 1.320 556 G CA -0.133 44.969 45.100 0.003 0.000 0.847 556 G HN 2.486 nan 8.290 nan 0.000 0.553 557 G N -1.098 107.703 108.800 0.003 0.000 2.655 557 G HA2 0.320 4.281 3.960 0.001 0.000 0.680 557 G HA3 0.320 4.281 3.960 0.001 0.000 0.680 557 G C -0.832 174.069 174.900 0.003 0.000 1.302 557 G CA 0.484 45.585 45.100 0.003 0.000 0.872 557 G HN 1.411 nan 8.290 nan 0.000 0.540 558 P HA 0.050 nan 4.420 nan 0.000 0.220 558 P C 0.923 178.225 177.300 0.003 0.000 1.148 558 P CA 0.604 63.706 63.100 0.003 0.000 0.803 558 P CB 0.100 31.802 31.700 0.003 0.000 0.782 559 R N 0.223 120.726 120.500 0.004 0.000 2.537 559 R HA 0.088 4.429 4.340 0.001 0.000 0.280 559 R C 1.424 177.727 176.300 0.005 0.000 1.058 559 R CA 0.793 56.895 56.100 0.004 0.000 1.057 559 R CB -0.029 30.274 30.300 0.005 0.000 0.973 559 R HN 0.222 nan 8.270 nan 0.000 0.438 560 T N -2.305 112.252 114.554 0.005 0.000 3.051 560 T HA 0.021 4.371 4.350 0.001 0.000 0.255 560 T C 0.834 175.538 174.700 0.005 0.000 1.085 560 T CA 0.311 62.414 62.100 0.005 0.000 1.109 560 T CB 0.218 69.088 68.868 0.004 0.000 0.921 560 T HN 0.537 nan 8.240 nan 0.000 0.488 561 S N 0.746 116.450 115.700 0.006 0.000 2.661 561 S HA 0.752 5.223 4.470 0.001 0.000 0.285 561 S C -0.578 174.027 174.600 0.009 0.000 1.138 561 S CA -0.498 57.706 58.200 0.008 0.000 0.855 561 S CB 2.002 65.207 63.200 0.008 0.000 1.136 561 S HN 0.701 nan 8.310 nan 0.000 0.484 562 T N -1.867 112.693 114.554 0.011 0.000 2.864 562 T HA 0.687 5.038 4.350 0.001 0.000 0.299 562 T C -0.904 173.805 174.700 0.015 0.000 1.166 562 T CA -0.975 61.132 62.100 0.012 0.000 1.007 562 T CB 1.185 70.060 68.868 0.012 0.000 1.219 562 T HN 0.655 nan 8.240 nan 0.000 0.506 563 M N 2.069 121.679 119.600 0.017 0.000 2.101 563 M HA 0.451 4.931 4.480 0.001 0.000 0.340 563 M C -0.253 176.063 176.300 0.026 0.000 1.057 563 M CA -0.474 54.840 55.300 0.022 0.000 0.984 563 M CB 1.505 34.119 32.600 0.023 0.000 1.560 563 M HN 0.623 nan 8.290 nan 0.000 0.435 564 Q N 1.386 121.204 119.800 0.029 0.000 2.873 564 Q HA 0.831 5.171 4.340 0.001 0.000 0.297 564 Q C -1.278 174.746 176.000 0.041 0.000 1.064 564 Q CA -1.157 54.666 55.803 0.034 0.000 0.816 564 Q CB 3.178 31.934 28.738 0.031 0.000 1.481 564 Q HN 0.477 nan 8.270 nan 0.000 0.488 565 V N 1.370 121.312 119.914 0.046 0.000 2.735 565 V HA 0.346 4.467 4.120 0.001 0.000 0.310 565 V C -1.081 175.049 176.094 0.060 0.000 1.061 565 V CA -0.956 61.373 62.300 0.049 0.000 0.913 565 V CB 2.096 33.949 31.823 0.051 0.000 1.005 565 V HN 0.628 nan 8.190 nan 0.000 0.428 566 N N 3.791 122.539 118.700 0.080 0.000 2.462 566 N HA 0.273 5.014 4.740 0.001 0.000 0.242 566 N C -0.561 175.044 175.510 0.158 0.000 1.010 566 N CA -0.082 53.054 53.050 0.143 0.000 0.939 566 N CB 1.635 40.241 38.487 0.199 0.000 1.127 566 N HN 0.745 nan 8.380 nan 0.000 0.509 567 Q N 3.014 122.889 119.800 0.126 0.000 2.293 567 Q HA 0.397 4.738 4.340 0.001 0.000 0.261 567 Q C -1.518 174.567 176.000 0.142 0.000 0.960 567 Q CA -0.736 55.083 55.803 0.027 0.000 0.882 567 Q CB 0.806 29.548 28.738 0.007 0.000 1.275 567 Q HN 0.584 nan 8.270 nan 0.000 0.445 568 Y N 0.331 120.626 120.300 -0.009 0.000 2.592 568 Y HA 0.504 5.055 4.550 0.001 0.000 0.334 568 Y C -1.480 174.419 175.900 -0.002 0.000 1.136 568 Y CA -1.466 56.633 58.100 -0.003 0.000 1.042 568 Y CB 0.730 39.189 38.460 -0.001 0.000 1.325 568 Y HN 0.503 nan 8.280 nan 0.000 0.457 569 N N 1.334 120.118 118.700 0.140 0.000 2.513 569 N HA 0.520 5.260 4.740 0.001 0.000 0.274 569 N C -1.218 174.375 175.510 0.138 0.000 1.189 569 N CA -0.399 52.694 53.050 0.073 0.000 0.975 569 N CB 1.054 39.579 38.487 0.064 0.000 1.157 569 N HN 0.694 nan 8.380 nan 0.000 0.465 570 I N 0.918 121.539 120.570 0.085 0.000 2.371 570 I HA 0.256 4.426 4.170 0.001 0.000 0.282 570 I C 1.290 177.456 176.117 0.082 0.000 1.031 570 I CA -0.319 61.044 61.300 0.105 0.000 1.180 570 I CB 1.268 39.316 38.000 0.080 0.000 1.336 570 I HN 0.717 nan 8.210 nan 0.000 0.467 571 G N 5.773 114.622 108.800 0.082 0.000 2.650 571 G HA2 -0.042 3.918 3.960 0.001 0.000 0.214 571 G HA3 -0.042 3.918 3.960 0.001 0.000 0.214 571 G C 0.439 175.381 174.900 0.069 0.000 1.136 571 G CA 0.094 45.236 45.100 0.069 0.000 0.789 571 G HN 0.662 nan 8.290 nan 0.000 0.536 572 N N -1.086 117.658 118.700 0.073 0.000 2.610 572 N HA 0.143 4.883 4.740 0.001 0.000 0.264 572 N C 0.168 175.730 175.510 0.087 0.000 1.348 572 N CA -0.566 52.531 53.050 0.078 0.000 0.819 572 N CB 1.142 39.670 38.487 0.068 0.000 1.521 572 N HN 0.006 nan 8.380 nan 0.000 0.497 573 E N 0.289 120.551 120.200 0.104 0.000 2.070 573 E HA -0.287 4.064 4.350 0.001 0.000 0.197 573 E C 1.178 177.836 176.600 0.097 0.000 1.004 573 E CA 1.730 58.207 56.400 0.127 0.000 0.805 573 E CB -0.039 29.754 29.700 0.155 0.000 0.744 573 E HN 0.547 nan 8.360 nan 0.000 0.451 574 Q N 0.948 120.794 119.800 0.077 0.000 2.061 574 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 574 Q C 1.630 177.632 176.000 0.004 0.000 0.984 574 Q CA 1.730 57.559 55.803 0.042 0.000 0.846 574 Q CB -0.010 28.755 28.738 0.044 0.000 0.902 574 Q HN 0.240 nan 8.270 nan 0.000 0.421 575 D N -1.113 119.302 120.400 0.025 0.000 2.224 575 D HA -0.039 4.602 4.640 0.001 0.000 0.205 575 D C 1.342 177.651 176.300 0.014 0.000 0.965 575 D CA 1.078 55.090 54.000 0.021 0.000 0.852 575 D CB -0.041 40.789 40.800 0.049 0.000 0.947 575 D HN 0.351 nan 8.370 nan 0.000 0.494 576 A N 0.851 123.689 122.820 0.029 0.000 2.119 576 A HA 0.198 4.518 4.320 0.001 0.000 0.217 576 A C 1.430 178.983 177.584 -0.051 0.000 1.153 576 A CA 0.621 52.680 52.037 0.036 0.000 0.692 576 A CB -0.123 18.935 19.000 0.096 0.000 0.799 576 A HN 0.155 nan 8.150 nan 0.000 0.458 577 A N 0.933 123.654 122.820 -0.165 0.000 2.437 577 A HA 0.512 4.833 4.320 0.001 0.000 0.303 577 A C 0.207 177.510 177.584 -0.468 0.000 1.324 577 A CA -0.040 51.665 52.037 -0.553 0.000 0.983 577 A CB -0.448 18.116 19.000 -0.728 0.000 1.142 577 A HN 0.701 nan 8.150 nan 0.000 0.541 578 Q N 1.817 121.382 119.800 -0.393 0.000 2.707 578 Q HA 0.496 4.837 4.340 0.001 0.000 0.307 578 Q C -1.234 174.704 176.000 -0.102 0.000 0.934 578 Q CA -1.258 54.424 55.803 -0.203 0.000 0.753 578 Q CB 0.797 29.494 28.738 -0.070 0.000 1.478 578 Q HN 0.303 nan 8.270 nan 0.000 0.458 579 K N 0.623 121.007 120.400 -0.027 0.000 2.202 579 K HA 0.365 4.686 4.320 0.001 0.000 0.264 579 K C -1.025 175.652 176.600 0.129 0.000 1.010 579 K CA -0.195 56.117 56.287 0.042 0.000 0.940 579 K CB 0.459 32.970 32.500 0.017 0.000 0.983 579 K HN 0.576 nan 8.250 nan 0.000 0.475 580 F N 2.001 121.964 119.950 0.021 0.000 2.426 580 F HA 0.155 4.683 4.527 0.001 0.000 0.348 580 F C -0.263 175.570 175.800 0.056 0.000 1.124 580 F CA -1.119 56.911 58.000 0.050 0.000 1.008 580 F CB 1.061 40.118 39.000 0.095 0.000 1.139 580 F HN 0.341 nan 8.300 nan 0.000 0.452 581 D N 8.765 128.794 120.400 -0.618 0.000 2.359 581 D HA 0.273 4.914 4.640 0.001 0.000 0.230 581 D C -1.845 173.935 176.300 -0.867 0.000 1.118 581 D CA -2.550 51.163 54.000 -0.479 0.000 0.844 581 D CB 1.958 42.596 40.800 -0.270 0.000 1.059 581 D HN 0.311 nan 8.370 nan 0.000 0.493 582 P HA -0.024 nan 4.420 nan 0.000 0.231 582 P C 1.044 178.265 177.300 -0.132 0.000 1.158 582 P CA 0.422 63.385 63.100 -0.227 0.000 0.763 582 P CB 0.267 32.116 31.700 0.249 0.000 0.805 583 G N -0.337 108.363 108.800 -0.167 0.000 2.777 583 G HA2 0.006 3.966 3.960 0.001 0.000 0.211 583 G HA3 0.006 3.966 3.960 0.001 0.000 0.211 583 G C 0.730 175.573 174.900 -0.093 0.000 1.149 583 G CA 0.524 45.575 45.100 -0.080 0.000 0.785 583 G HN 0.434 nan 8.290 nan 0.000 0.536 584 T N -1.732 112.709 114.554 -0.188 0.000 2.937 584 T HA 0.724 5.075 4.350 0.001 0.000 0.283 584 T C -0.471 174.171 174.700 -0.096 0.000 1.012 584 T CA -0.832 61.182 62.100 -0.143 0.000 0.997 584 T CB 2.212 70.979 68.868 -0.169 0.000 1.136 584 T HN -0.085 nan 8.240 nan 0.000 0.551 585 I N 1.027 121.542 120.570 -0.092 0.000 2.465 585 I HA 0.517 4.687 4.170 0.001 0.000 0.291 585 I C -0.158 175.879 176.117 -0.133 0.000 1.014 585 I CA -1.033 60.197 61.300 -0.117 0.000 1.093 585 I CB 1.814 39.637 38.000 -0.294 0.000 1.267 585 I HN 0.422 nan 8.210 nan 0.000 0.431 586 R N 7.137 127.611 120.500 -0.044 0.000 2.476 586 R HA 0.656 4.997 4.340 0.001 0.000 0.305 586 R C -1.353 174.885 176.300 -0.104 0.000 0.965 586 R CA -0.701 55.373 56.100 -0.044 0.000 0.867 586 R CB 1.901 32.270 30.300 0.116 0.000 1.176 586 R HN 0.555 nan 8.270 nan 0.000 0.447 587 L N 3.133 124.259 121.223 -0.162 0.000 2.342 587 L HA 0.531 4.872 4.340 0.001 0.000 0.271 587 L C -0.478 176.370 176.870 -0.036 0.000 1.008 587 L CA -1.332 53.427 54.840 -0.135 0.000 0.818 587 L CB 1.956 43.858 42.059 -0.263 0.000 1.296 587 L HN 0.238 nan 8.230 nan 0.000 0.427 588 L N 2.033 123.277 121.223 0.035 0.000 2.277 588 L HA 0.469 4.810 4.340 0.001 0.000 0.284 588 L C -0.281 176.644 176.870 0.092 0.000 1.028 588 L CA 0.465 55.346 54.840 0.068 0.000 0.835 588 L CB 1.032 43.144 42.059 0.089 0.000 1.215 588 L HN 0.531 nan 8.230 nan 0.000 0.425 589 S N 3.470 119.208 115.700 0.062 0.000 2.664 589 S HA 0.506 4.977 4.470 0.001 0.000 0.304 589 S C -0.524 174.118 174.600 0.071 0.000 1.099 589 S CA -0.761 57.486 58.200 0.077 0.000 1.003 589 S CB 1.380 64.604 63.200 0.040 0.000 1.092 589 S HN 0.641 nan 8.310 nan 0.000 0.525 590 N N 2.325 121.066 118.700 0.068 0.000 2.546 590 N HA 0.278 5.019 4.740 0.001 0.000 0.238 590 N C -2.144 173.377 175.510 0.018 0.000 0.984 590 N CA -2.037 51.036 53.050 0.038 0.000 0.935 590 N CB 1.410 39.912 38.487 0.024 0.000 1.122 590 N HN 0.231 nan 8.380 nan 0.000 0.510 591 P HA 0.017 nan 4.420 nan 0.000 0.242 591 P C 0.051 177.351 177.300 -0.000 0.000 1.197 591 P CA 0.659 63.765 63.100 0.011 0.000 0.765 591 P CB 0.503 32.212 31.700 0.015 0.000 0.936 592 N N -0.165 118.530 118.700 -0.009 0.000 2.254 592 N HA 0.084 4.825 4.740 0.001 0.000 0.190 592 N C 0.355 175.844 175.510 -0.034 0.000 1.107 592 N CA 0.309 53.347 53.050 -0.020 0.000 0.869 592 N CB 0.769 39.243 38.487 -0.023 0.000 0.983 592 N HN 0.287 nan 8.380 nan 0.000 0.487 593 K N 1.010 121.385 120.400 -0.042 0.000 2.468 593 K HA 0.372 4.692 4.320 0.001 0.000 0.252 593 K C -0.738 175.819 176.600 -0.071 0.000 0.932 593 K CA -0.425 55.820 56.287 -0.070 0.000 0.794 593 K CB 2.489 34.925 32.500 -0.106 0.000 1.241 593 K HN -0.014 nan 8.250 nan 0.000 0.428 594 E N 1.308 121.464 120.200 -0.073 0.000 2.299 594 E HA 0.180 4.531 4.350 0.001 0.000 0.265 594 E C -0.724 175.822 176.600 -0.090 0.000 0.911 594 E CA -0.947 55.415 56.400 -0.063 0.000 0.789 594 E CB 1.967 31.645 29.700 -0.037 0.000 1.246 594 E HN 0.659 nan 8.360 nan 0.000 0.427 595 N N 0.054 118.707 118.700 -0.079 0.000 2.418 595 N HA 0.116 4.857 4.740 0.001 0.000 0.283 595 N C 0.926 176.402 175.510 -0.057 0.000 1.267 595 N CA -0.743 52.254 53.050 -0.088 0.000 0.975 595 N CB 1.049 39.488 38.487 -0.079 0.000 1.167 595 N HN 0.366 nan 8.380 nan 0.000 0.581 596 R N -0.949 119.522 120.500 -0.048 0.000 2.211 596 R HA -0.088 4.253 4.340 0.001 0.000 0.240 596 R C 0.772 177.054 176.300 -0.030 0.000 1.144 596 R CA 1.526 57.604 56.100 -0.036 0.000 0.992 596 R CB -0.162 30.120 30.300 -0.030 0.000 0.869 596 R HN 0.624 nan 8.270 nan 0.000 0.462 597 M N -0.729 118.853 119.600 -0.029 0.000 2.431 597 M HA 0.276 4.757 4.480 0.001 0.000 0.237 597 M C 0.812 177.104 176.300 -0.015 0.000 1.130 597 M CA 0.602 55.889 55.300 -0.023 0.000 1.002 597 M CB 1.240 33.825 32.600 -0.026 0.000 1.524 597 M HN 0.338 nan 8.290 nan 0.000 0.482 598 G N 0.599 109.388 108.800 -0.017 0.000 2.148 598 G HA2 -0.292 3.668 3.960 0.001 0.000 0.254 598 G HA3 -0.292 3.668 3.960 0.001 0.000 0.254 598 G C -0.016 174.885 174.900 0.001 0.000 0.981 598 G CA 0.017 45.111 45.100 -0.010 0.000 0.670 598 G HN 0.525 nan 8.290 nan 0.000 0.528 599 N N 1.320 120.023 118.700 0.006 0.000 2.456 599 N HA 0.521 5.262 4.740 0.001 0.000 0.288 599 N C -2.634 172.894 175.510 0.030 0.000 1.059 599 N CA -1.731 51.340 53.050 0.036 0.000 0.946 599 N CB 1.456 39.978 38.487 0.057 0.000 1.150 599 N HN -0.019 nan 8.380 nan 0.000 0.479 600 P HA -0.063 nan 4.420 nan 0.000 0.264 600 P C -0.500 176.834 177.300 0.057 0.000 1.193 600 P CA -0.263 62.859 63.100 0.035 0.000 0.763 600 P CB 0.354 32.080 31.700 0.042 0.000 0.810 601 V N 1.804 121.722 119.914 0.007 0.000 2.540 601 V HA 0.363 4.483 4.120 0.001 0.000 0.297 601 V C 0.020 176.231 176.094 0.194 0.000 1.024 601 V CA 0.469 62.777 62.300 0.013 0.000 1.105 601 V CB -0.346 31.333 31.823 -0.240 0.000 0.938 601 V HN 0.489 nan 8.190 nan 0.000 0.482 602 S N 3.262 119.142 115.700 0.301 0.000 2.720 602 S HA 0.772 5.243 4.470 0.001 0.000 0.287 602 S C -1.456 173.306 174.600 0.271 0.000 1.168 602 S CA -0.548 57.835 58.200 0.305 0.000 0.832 602 S CB 1.697 65.012 63.200 0.191 0.000 1.166 602 S HN 0.739 nan 8.310 nan 0.000 0.493 603 Y N 1.505 121.869 120.300 0.107 0.000 2.373 603 Y HA 0.427 4.978 4.550 0.001 0.000 0.336 603 Y C -0.083 175.835 175.900 0.029 0.000 0.979 603 Y CA -0.476 57.653 58.100 0.049 0.000 1.080 603 Y CB 1.764 40.208 38.460 -0.026 0.000 1.190 603 Y HN 0.616 nan 8.280 nan 0.000 0.446 604 Q N 4.564 124.434 119.800 0.116 0.000 2.267 604 Q HA 0.513 4.853 4.340 0.001 0.000 0.255 604 Q C -1.293 174.749 176.000 0.070 0.000 0.923 604 Q CA -0.411 55.417 55.803 0.041 0.000 0.925 604 Q CB 0.744 29.536 28.738 0.090 0.000 1.195 604 Q HN 0.716 nan 8.270 nan 0.000 0.417 605 I N 5.637 126.224 120.570 0.027 0.000 2.315 605 I HA 0.296 4.466 4.170 0.001 0.000 0.291 605 I C -0.366 175.675 176.117 -0.126 0.000 1.006 605 I CA -0.455 60.833 61.300 -0.019 0.000 1.265 605 I CB 1.027 39.023 38.000 -0.007 0.000 1.387 605 I HN 0.584 nan 8.210 nan 0.000 0.475 606 I N 8.555 129.016 120.570 -0.183 0.000 2.537 606 I HA 0.248 4.419 4.170 0.001 0.000 0.276 606 I C -1.845 174.061 176.117 -0.352 0.000 1.063 606 I CA -1.439 59.666 61.300 -0.326 0.000 1.144 606 I CB 1.504 39.471 38.000 -0.055 0.000 1.252 606 I HN 0.352 nan 8.210 nan 0.000 0.480 607 P HA -0.133 nan 4.420 nan 0.000 0.226 607 P C -0.273 177.047 177.300 0.034 0.000 1.153 607 P CA 1.099 64.070 63.100 -0.215 0.000 0.777 607 P CB 0.006 31.590 31.700 -0.193 0.000 0.794 608 Y N 0.014 120.237 120.300 -0.129 0.000 2.488 608 Y HA 0.615 5.166 4.550 0.001 0.000 0.330 608 Y C -0.059 175.951 175.900 0.184 0.000 1.013 608 Y CA -1.450 56.735 58.100 0.142 0.000 1.304 608 Y CB 0.700 39.343 38.460 0.305 0.000 1.098 608 Y HN -0.157 nan 8.280 nan 0.000 0.498 609 A N 3.749 126.392 122.820 -0.296 0.000 2.535 609 A HA 0.723 5.043 4.320 0.001 0.000 0.273 609 A C 0.778 178.162 177.584 -0.334 0.000 1.267 609 A CA 0.249 52.124 52.037 -0.270 0.000 0.940 609 A CB -0.643 18.302 19.000 -0.092 0.000 1.101 609 A HN 1.572 nan 8.150 nan 0.000 0.521 610 G N -2.178 106.173 108.800 -0.750 0.000 2.423 610 G HA2 0.521 4.482 3.960 0.001 0.000 0.684 610 G HA3 0.521 4.482 3.960 0.001 0.000 0.684 610 G C -0.205 174.751 174.900 0.094 0.000 1.309 610 G CA -0.307 44.635 45.100 -0.264 0.000 0.950 610 G HN 1.971 nan 8.290 nan 0.000 0.587 611 G N -2.226 106.687 108.800 0.189 0.000 2.489 611 G HA2 0.730 4.691 3.960 0.001 0.000 0.291 611 G HA3 0.730 4.691 3.960 0.001 0.000 0.291 611 G C 0.489 175.474 174.900 0.142 0.000 1.487 611 G CA 0.938 46.115 45.100 0.129 0.000 0.795 611 G HN 2.030 nan 8.290 nan 0.000 0.513 612 T N -2.607 111.997 114.554 0.083 0.000 3.060 612 T HA 0.290 4.641 4.350 0.001 0.000 0.249 612 T C 0.593 175.323 174.700 0.050 0.000 1.079 612 T CA 0.602 62.734 62.100 0.053 0.000 1.013 612 T CB 0.037 68.910 68.868 0.008 0.000 0.975 612 T HN 0.443 nan 8.240 nan 0.000 0.518 613 H N 1.442 120.529 119.070 0.028 0.000 2.710 613 H HA 0.580 5.137 4.556 0.001 0.000 0.361 613 H C -2.626 172.727 175.328 0.042 0.000 1.175 613 H CA -2.539 53.505 56.048 -0.006 0.000 1.206 613 H CB 1.359 31.088 29.762 -0.056 0.000 1.750 613 H HN 0.017 nan 8.280 nan 0.000 0.553 614 P HA -0.042 nan 4.420 nan 0.000 0.266 614 P C -0.454 176.895 177.300 0.082 0.000 1.195 614 P CA -0.020 63.127 63.100 0.078 0.000 0.768 614 P CB 0.559 32.264 31.700 0.009 0.000 0.838 615 V N 2.918 122.870 119.914 0.062 0.000 2.583 615 V HA 0.460 4.581 4.120 0.001 0.000 0.287 615 V C 0.044 176.121 176.094 -0.029 0.000 1.051 615 V CA -0.509 61.800 62.300 0.017 0.000 1.010 615 V CB 0.515 32.249 31.823 -0.148 0.000 0.988 615 V HN 0.691 nan 8.190 nan 0.000 0.478 616 A N 5.754 128.572 122.820 -0.004 0.000 2.347 616 A HA 0.400 4.721 4.320 0.001 0.000 0.287 616 A C 0.831 178.398 177.584 -0.029 0.000 1.199 616 A CA -0.333 51.697 52.037 -0.012 0.000 0.851 616 A CB 0.128 19.135 19.000 0.012 0.000 1.118 616 A HN 0.973 nan 8.150 nan 0.000 0.525 617 K N 2.041 122.422 120.400 -0.033 0.000 2.487 617 K HA 0.304 4.624 4.320 0.001 0.000 0.192 617 K C 0.893 177.499 176.600 0.010 0.000 1.027 617 K CA 0.661 56.932 56.287 -0.028 0.000 1.054 617 K CB 0.129 32.612 32.500 -0.029 0.000 0.824 617 K HN 0.976 nan 8.250 nan 0.000 0.510 618 G N 0.408 109.221 108.800 0.023 0.000 2.345 618 G HA2 0.325 4.285 3.960 0.001 0.000 0.285 618 G HA3 0.325 4.285 3.960 0.001 0.000 0.285 618 G C -1.704 173.229 174.900 0.054 0.000 1.297 618 G CA -0.603 44.524 45.100 0.045 0.000 0.875 618 G HN 0.082 nan 8.290 nan 0.000 0.506 619 A N -0.295 122.584 122.820 0.097 0.000 2.409 619 A HA 0.587 4.907 4.320 0.001 0.000 0.262 619 A C 0.438 178.143 177.584 0.202 0.000 1.113 619 A CA 0.026 52.177 52.037 0.190 0.000 0.790 619 A CB 0.497 19.646 19.000 0.248 0.000 1.046 619 A HN 0.418 nan 8.150 nan 0.000 0.496 620 Q N 1.868 121.694 119.800 0.043 0.000 3.170 620 Q HA 0.318 4.659 4.340 0.001 0.000 0.346 620 Q C -1.537 174.230 176.000 -0.388 0.000 1.333 620 Q CA 0.574 56.283 55.803 -0.155 0.000 0.958 620 Q CB -0.719 27.871 28.738 -0.247 0.000 1.600 620 Q HN 0.572 nan 8.270 nan 0.000 0.482 621 F N -0.641 119.379 119.950 0.116 0.000 2.588 621 F HA 0.570 5.097 4.527 0.001 0.000 0.310 621 F C 0.338 176.147 175.800 0.016 0.000 1.082 621 F CA -1.313 56.758 58.000 0.118 0.000 0.929 621 F CB 1.162 40.295 39.000 0.222 0.000 1.254 621 F HN 0.056 nan 8.300 nan 0.000 0.455 622 A N 2.776 125.673 122.820 0.128 0.000 2.406 622 A HA 0.406 4.727 4.320 0.001 0.000 0.243 622 A C -1.784 175.610 177.584 -0.317 0.000 1.082 622 A CA -1.019 50.977 52.037 -0.068 0.000 0.786 622 A CB -0.201 18.776 19.000 -0.038 0.000 1.029 622 A HN 0.577 nan 8.150 nan 0.000 0.495 623 P HA -0.092 nan 4.420 nan 0.000 0.228 623 P C 0.337 177.361 177.300 -0.460 0.000 1.151 623 P CA 1.347 63.941 63.100 -0.844 0.000 0.770 623 P CB 0.001 31.400 31.700 -0.502 0.000 0.786 624 D N -1.627 118.612 120.400 -0.268 0.000 2.339 624 D HA -0.021 4.619 4.640 0.001 0.000 0.217 624 D C 0.229 176.415 176.300 -0.190 0.000 1.050 624 D CA 0.143 54.013 54.000 -0.217 0.000 0.856 624 D CB -0.286 40.423 40.800 -0.152 0.000 0.922 624 D HN 0.093 nan 8.370 nan 0.000 0.518 625 E N -0.063 120.090 120.200 -0.078 0.000 2.331 625 E HA 0.029 4.380 4.350 0.001 0.000 0.272 625 E C 0.203 176.822 176.600 0.031 0.000 1.036 625 E CA -0.436 56.003 56.400 0.065 0.000 0.864 625 E CB 0.914 30.743 29.700 0.215 0.000 1.035 625 E HN 0.253 nan 8.360 nan 0.000 0.408 626 W N 1.922 123.284 121.300 0.103 0.000 2.388 626 W HA -0.078 4.583 4.660 0.002 0.000 0.294 626 W C 2.174 178.711 176.519 0.030 0.000 1.212 626 W CA 0.191 57.587 57.345 0.085 0.000 1.271 626 W CB -0.123 29.302 29.460 -0.058 0.000 1.126 626 W HN 0.603 nan 8.180 nan 0.000 0.535 627 I N -0.602 120.027 120.570 0.098 0.000 2.361 627 I HA -0.361 3.809 4.170 0.001 0.000 0.251 627 I C 2.389 178.436 176.117 -0.116 0.000 1.133 627 I CA 1.476 62.714 61.300 -0.104 0.000 1.413 627 I CB -0.289 37.499 38.000 -0.353 0.000 1.073 627 I HN 0.056 nan 8.210 nan 0.000 0.424 628 Y N 0.609 120.792 120.300 -0.194 0.000 2.181 628 Y HA -0.343 4.208 4.550 0.001 0.000 0.288 628 Y C 2.574 178.468 175.900 -0.010 0.000 1.146 628 Y CA 2.376 60.412 58.100 -0.106 0.000 1.164 628 Y CB -0.505 37.942 38.460 -0.020 0.000 0.982 628 Y HN 0.408 nan 8.280 nan 0.000 0.515 629 H N -0.106 119.067 119.070 0.171 0.000 2.307 629 H HA -0.040 4.516 4.556 0.001 0.000 0.303 629 H C 2.262 177.633 175.328 0.071 0.000 1.073 629 H CA 2.178 58.292 56.048 0.111 0.000 1.338 629 H CB -0.138 29.619 29.762 -0.008 0.000 1.389 629 H HN 0.207 nan 8.280 nan 0.000 0.503 630 R N -0.140 120.362 120.500 0.004 0.000 2.081 630 R HA 0.011 4.351 4.340 0.001 0.000 0.235 630 R C 0.310 176.528 176.300 -0.137 0.000 1.131 630 R CA 1.230 57.273 56.100 -0.095 0.000 0.960 630 R CB -0.081 30.241 30.300 0.037 0.000 0.856 630 R HN 0.263 nan 8.270 nan 0.000 0.436 631 L N 1.720 122.872 121.223 -0.118 0.000 2.360 631 L HA 0.214 4.554 4.340 0.001 0.000 0.265 631 L C 0.930 177.656 176.870 -0.241 0.000 1.066 631 L CA -0.427 54.352 54.840 -0.102 0.000 0.929 631 L CB 1.552 43.563 42.059 -0.080 0.000 1.306 631 L HN 0.149 nan 8.230 nan 0.000 0.434 632 S N 1.239 116.839 115.700 -0.168 0.000 2.470 632 S HA -0.150 4.321 4.470 0.001 0.000 0.225 632 S C 1.723 176.322 174.600 -0.001 0.000 1.006 632 S CA 0.202 58.318 58.200 -0.141 0.000 0.934 632 S CB -0.357 62.851 63.200 0.013 0.000 0.778 632 S HN 0.651 nan 8.310 nan 0.000 0.517 633 F N 2.898 122.710 119.950 -0.231 0.000 2.250 633 F HA 0.042 4.569 4.527 0.001 0.000 0.301 633 F C 1.911 177.767 175.800 0.093 0.000 1.077 633 F CA 0.758 58.634 58.000 -0.207 0.000 1.348 633 F CB -1.119 37.606 39.000 -0.459 0.000 1.040 633 F HN 0.157 nan 8.300 nan 0.000 0.509 634 M N -0.123 118.972 119.600 -0.842 0.000 2.557 634 M HA -0.002 4.479 4.480 0.001 0.000 0.259 634 M C 0.725 176.921 176.300 -0.173 0.000 1.086 634 M CA 1.584 56.529 55.300 -0.591 0.000 1.096 634 M CB -0.587 31.655 32.600 -0.597 0.000 1.424 634 M HN 0.098 nan 8.290 nan 0.000 0.488 635 D N 0.705 121.059 120.400 -0.076 0.000 2.369 635 D HA 0.106 4.747 4.640 0.001 0.000 0.211 635 D C -0.143 176.196 176.300 0.065 0.000 1.077 635 D CA 0.414 54.415 54.000 0.001 0.000 0.842 635 D CB 0.632 41.393 40.800 -0.065 0.000 0.947 635 D HN -0.009 nan 8.370 nan 0.000 0.509 636 K N 0.217 120.710 120.400 0.154 0.000 2.371 636 K HA 0.309 4.629 4.320 0.001 0.000 0.251 636 K C 0.146 176.863 176.600 0.195 0.000 0.934 636 K CA -0.467 55.828 56.287 0.015 0.000 0.798 636 K CB 1.829 34.039 32.500 -0.484 0.000 1.204 636 K HN -0.180 nan 8.250 nan 0.000 0.427 637 Q N 0.289 120.176 119.800 0.145 0.000 2.354 637 Q HA 0.126 4.467 4.340 0.001 0.000 0.203 637 Q C -0.042 176.112 176.000 0.257 0.000 0.933 637 Q CA 0.449 56.395 55.803 0.238 0.000 0.901 637 Q CB 0.279 29.162 28.738 0.241 0.000 1.007 637 Q HN 0.361 nan 8.270 nan 0.000 0.495 638 L N -0.147 121.161 121.223 0.141 0.000 2.385 638 L HA 0.585 4.925 4.340 0.001 0.000 0.273 638 L C -1.993 174.896 176.870 0.032 0.000 0.990 638 L CA -0.437 54.504 54.840 0.168 0.000 0.821 638 L CB 1.146 43.285 42.059 0.134 0.000 1.279 638 L HN -0.014 nan 8.230 nan 0.000 0.412 639 W N 4.016 125.446 121.300 0.217 0.000 3.032 639 W HA 0.790 5.451 4.660 0.001 0.000 0.335 639 W C -1.292 175.408 176.519 0.301 0.000 1.154 639 W CA -0.760 56.702 57.345 0.194 0.000 1.204 639 W CB 2.273 31.787 29.460 0.090 0.000 1.416 639 W HN 0.267 nan 8.180 nan 0.000 0.521 640 V N 2.331 122.530 119.914 0.475 0.000 2.655 640 V HA 0.661 4.781 4.120 0.001 0.000 0.301 640 V C -0.287 176.022 176.094 0.358 0.000 1.082 640 V CA -0.824 61.722 62.300 0.410 0.000 0.899 640 V CB 1.412 33.389 31.823 0.255 0.000 1.014 640 V HN 0.592 nan 8.190 nan 0.000 0.429 641 T N 1.628 116.433 114.554 0.418 0.000 2.907 641 T HA 0.666 5.016 4.350 0.001 0.000 0.290 641 T C -0.312 174.505 174.700 0.195 0.000 1.066 641 T CA -1.028 61.254 62.100 0.302 0.000 1.012 641 T CB 1.984 71.056 68.868 0.340 0.000 1.184 641 T HN 0.467 nan 8.240 nan 0.000 0.522 642 R N 0.387 120.931 120.500 0.074 0.000 2.490 642 R HA 0.208 4.549 4.340 0.001 0.000 0.280 642 R C -0.528 175.589 176.300 -0.306 0.000 1.077 642 R CA -0.558 55.492 56.100 -0.084 0.000 1.065 642 R CB 0.369 30.589 30.300 -0.133 0.000 1.003 642 R HN 0.736 nan 8.270 nan 0.000 0.470 643 Y N 3.413 123.518 120.300 -0.324 0.000 2.620 643 Y HA -0.053 4.498 4.550 0.001 0.000 0.330 643 Y C -0.634 174.954 175.900 -0.520 0.000 1.186 643 Y CA 0.625 58.550 58.100 -0.291 0.000 1.467 643 Y CB 0.383 38.761 38.460 -0.137 0.000 1.262 643 Y HN 0.424 nan 8.280 nan 0.000 0.550 644 H N 7.299 125.837 119.070 -0.886 0.000 3.179 644 H HA 0.168 4.724 4.556 0.001 0.000 0.331 644 H C -2.103 172.740 175.328 -0.808 0.000 1.013 644 H CA -1.940 53.660 56.048 -0.747 0.000 1.430 644 H CB 1.748 31.289 29.762 -0.368 0.000 1.895 644 H HN 0.479 nan 8.280 nan 0.000 0.468 645 P HA -0.095 nan 4.420 nan 0.000 0.221 645 P C 1.249 178.422 177.300 -0.212 0.000 1.145 645 P CA 1.190 64.098 63.100 -0.319 0.000 0.795 645 P CB 0.171 31.800 31.700 -0.118 0.000 0.775 646 G N -0.576 108.101 108.800 -0.204 0.000 3.284 646 G HA2 0.023 3.984 3.960 0.001 0.000 0.236 646 G HA3 0.023 3.984 3.960 0.001 0.000 0.236 646 G C 0.157 174.917 174.900 -0.234 0.000 1.158 646 G CA -0.140 44.861 45.100 -0.165 0.000 0.774 646 G HN 0.262 nan 8.290 nan 0.000 0.545 647 E N 0.542 120.521 120.200 -0.369 0.000 2.255 647 E HA 0.362 4.712 4.350 0.001 0.000 0.245 647 E C 0.077 176.419 176.600 -0.429 0.000 0.909 647 E CA -0.427 55.557 56.400 -0.694 0.000 0.747 647 E CB 1.214 30.256 29.700 -1.097 0.000 1.215 647 E HN 0.180 nan 8.360 nan 0.000 0.424 648 R N 1.489 121.706 120.500 -0.471 0.000 2.531 648 R HA 0.216 4.556 4.340 0.001 0.000 0.316 648 R C -0.471 175.476 176.300 -0.589 0.000 0.955 648 R CA -0.019 55.703 56.100 -0.630 0.000 1.120 648 R CB 0.753 30.315 30.300 -1.231 0.000 1.361 648 R HN 0.219 nan 8.270 nan 0.000 0.534 649 F N 1.377 121.540 119.950 0.355 0.000 2.529 649 F HA 0.385 4.913 4.527 0.001 0.000 0.320 649 F C -1.646 174.149 175.800 -0.008 0.000 1.118 649 F CA -3.037 55.058 58.000 0.159 0.000 0.915 649 F CB 1.482 40.468 39.000 -0.022 0.000 1.161 649 F HN -0.277 nan 8.300 nan 0.000 0.445 650 P HA -0.185 nan 4.420 nan 0.000 0.218 650 P C 0.858 177.700 177.300 -0.764 0.000 1.149 650 P CA 1.636 64.345 63.100 -0.651 0.000 0.817 650 P CB 0.234 31.355 31.700 -0.967 0.000 0.785 651 E N 0.423 120.252 120.200 -0.618 0.000 2.479 651 E HA 0.177 4.528 4.350 0.001 0.000 0.193 651 E C 0.779 177.247 176.600 -0.219 0.000 1.049 651 E CA 0.512 56.706 56.400 -0.342 0.000 0.870 651 E CB -0.489 29.082 29.700 -0.213 0.000 0.944 651 E HN 0.164 nan 8.360 nan 0.000 0.492 652 G N 1.855 110.547 108.800 -0.179 0.000 2.663 652 G HA2 -0.272 3.689 3.960 0.001 0.000 0.686 652 G HA3 -0.272 3.689 3.960 0.001 0.000 0.686 652 G C 0.070 174.947 174.900 -0.038 0.000 1.246 652 G CA -0.064 44.968 45.100 -0.113 0.000 0.795 652 G HN 0.160 nan 8.290 nan 0.000 0.627 653 K N -0.615 119.773 120.400 -0.020 0.000 2.057 653 K HA 0.017 4.337 4.320 0.001 0.000 0.207 653 K C 0.402 176.617 176.600 -0.641 0.000 1.049 653 K CA 1.553 57.657 56.287 -0.306 0.000 0.931 653 K CB -0.098 32.187 32.500 -0.358 0.000 0.714 653 K HN 0.511 nan 8.250 nan 0.000 0.440 654 Y N 0.457 120.719 120.300 -0.063 0.000 2.748 654 Y HA 0.264 4.814 4.550 0.001 0.000 0.359 654 Y C -2.007 173.846 175.900 -0.079 0.000 1.030 654 Y CA -2.409 55.647 58.100 -0.073 0.000 1.169 654 Y CB 1.431 39.861 38.460 -0.049 0.000 1.127 654 Y HN 0.144 nan 8.280 nan 0.000 0.644 655 P HA -0.087 nan 4.420 nan 0.000 0.229 655 P C 0.147 177.439 177.300 -0.014 0.000 1.160 655 P CA 0.549 63.630 63.100 -0.032 0.000 0.777 655 P CB 0.488 32.153 31.700 -0.058 0.000 0.814 656 N N 1.908 120.613 118.700 0.009 0.000 2.427 656 N HA -0.019 4.722 4.740 0.001 0.000 0.269 656 N C 0.330 175.814 175.510 -0.043 0.000 1.235 656 N CA 0.230 53.263 53.050 -0.028 0.000 0.934 656 N CB -0.501 37.967 38.487 -0.031 0.000 1.121 656 N HN -0.077 nan 8.380 nan 0.000 0.480 657 R N 0.310 120.754 120.500 -0.094 0.000 3.776 657 R HA -0.160 4.181 4.340 0.001 0.000 0.312 657 R C -0.404 175.862 176.300 -0.058 0.000 1.181 657 R CA 0.837 56.873 56.100 -0.106 0.000 0.836 657 R CB -2.792 27.299 30.300 -0.347 0.000 1.324 657 R HN 0.733 nan 8.270 nan 0.000 0.501 658 S N -0.506 115.156 115.700 -0.063 0.000 2.564 658 S HA 0.205 4.676 4.470 0.001 0.000 0.278 658 S C 1.444 175.901 174.600 -0.239 0.000 1.333 658 S CA 0.105 58.241 58.200 -0.107 0.000 1.048 658 S CB 1.681 64.816 63.200 -0.108 0.000 0.900 658 S HN 0.326 nan 8.310 nan 0.000 0.505 659 T N -2.382 112.013 114.554 -0.265 0.000 3.040 659 T HA 0.188 4.539 4.350 0.001 0.000 0.250 659 T C 0.385 175.182 174.700 0.161 0.000 1.058 659 T CA 0.164 61.996 62.100 -0.446 0.000 0.988 659 T CB -0.537 68.000 68.868 -0.551 0.000 0.993 659 T HN 0.991 nan 8.240 nan 0.000 0.519 660 H N -1.489 117.548 119.070 -0.056 0.000 3.064 660 H HA 0.401 4.957 4.556 0.001 0.000 0.352 660 H C -1.950 173.292 175.328 -0.142 0.000 1.260 660 H CA -1.109 54.903 56.048 -0.059 0.000 1.160 660 H CB 0.528 30.300 29.762 0.017 0.000 1.879 660 H HN -0.022 nan 8.280 nan 0.000 0.544 661 D N 1.821 122.049 120.400 -0.286 0.000 2.479 661 D HA -0.020 4.621 4.640 0.001 0.000 0.257 661 D C 0.745 176.822 176.300 -0.372 0.000 1.230 661 D CA 0.920 54.731 54.000 -0.314 0.000 0.912 661 D CB 0.633 41.274 40.800 -0.265 0.000 1.130 661 D HN 0.664 nan 8.370 nan 0.000 0.515 662 T N 0.476 114.781 114.554 -0.414 0.000 3.129 662 T HA 0.393 4.744 4.350 0.001 0.000 0.267 662 T C 0.892 175.314 174.700 -0.464 0.000 1.018 662 T CA -0.154 61.725 62.100 -0.369 0.000 0.903 662 T CB 0.801 69.487 68.868 -0.304 0.000 1.067 662 T HN 0.254 nan 8.240 nan 0.000 0.549 663 G N 1.327 109.749 108.800 -0.631 0.000 3.365 663 G HA2 0.484 4.444 3.960 0.001 0.000 0.185 663 G HA3 0.484 4.444 3.960 0.001 0.000 0.185 663 G C 0.776 174.714 174.900 -1.603 0.000 1.565 663 G CA -0.688 43.782 45.100 -1.051 0.000 0.984 663 G HN 0.277 nan 8.290 nan 0.000 0.604 664 L N 0.991 121.468 121.223 -1.244 0.000 2.187 664 L HA -0.008 4.333 4.340 0.001 0.000 0.213 664 L C 2.980 179.447 176.870 -0.671 0.000 1.100 664 L CA 1.061 55.205 54.840 -1.160 0.000 0.765 664 L CB -0.358 40.690 42.059 -1.684 0.000 0.904 664 L HN 0.565 nan 8.230 nan 0.000 0.437 665 G N -1.140 107.363 108.800 -0.494 0.000 2.402 665 G HA2 -0.300 3.661 3.960 0.001 0.000 0.216 665 G HA3 -0.300 3.661 3.960 0.001 0.000 0.216 665 G C 1.457 176.277 174.900 -0.134 0.000 1.162 665 G CA 0.586 45.588 45.100 -0.164 0.000 0.777 665 G HN 0.388 nan 8.290 nan 0.000 0.539 666 Q N -0.883 118.755 119.800 -0.270 0.000 2.046 666 Q HA -0.131 4.210 4.340 0.001 0.000 0.200 666 Q C 2.305 178.308 176.000 0.006 0.000 0.975 666 Q CA 1.151 56.870 55.803 -0.140 0.000 0.836 666 Q CB -0.231 28.387 28.738 -0.201 0.000 0.896 666 Q HN 0.521 nan 8.270 nan 0.000 0.428 667 Y N 0.385 120.622 120.300 -0.105 0.000 2.333 667 Y HA -0.104 4.446 4.550 0.001 0.000 0.290 667 Y C 2.446 178.352 175.900 0.010 0.000 1.144 667 Y CA 1.242 59.303 58.100 -0.066 0.000 1.228 667 Y CB -0.533 37.816 38.460 -0.186 0.000 0.985 667 Y HN 0.281 nan 8.280 nan 0.000 0.542 668 S N -1.766 114.029 115.700 0.158 0.000 2.539 668 S HA 0.141 4.612 4.470 0.001 0.000 0.221 668 S C 1.619 176.303 174.600 0.141 0.000 0.987 668 S CA -0.278 58.030 58.200 0.181 0.000 0.929 668 S CB 0.171 63.528 63.200 0.261 0.000 0.832 668 S HN 0.047 nan 8.310 nan 0.000 0.492 669 K N 2.554 123.020 120.400 0.109 0.000 2.074 669 K HA -0.078 4.243 4.320 0.001 0.000 0.209 669 K C 0.928 177.580 176.600 0.086 0.000 1.048 669 K CA 1.858 58.198 56.287 0.089 0.000 0.926 669 K CB -0.409 32.133 32.500 0.070 0.000 0.713 669 K HN 0.327 nan 8.250 nan 0.000 0.444 670 D N 0.098 120.553 120.400 0.092 0.000 2.352 670 D HA -0.094 4.546 4.640 0.001 0.000 0.232 670 D C -0.374 175.977 176.300 0.086 0.000 1.055 670 D CA 0.245 54.294 54.000 0.082 0.000 0.891 670 D CB -0.654 40.195 40.800 0.081 0.000 0.897 670 D HN 0.395 nan 8.370 nan 0.000 0.529 671 N N 1.733 120.490 118.700 0.095 0.000 2.689 671 N HA -0.205 4.535 4.740 0.001 0.000 0.263 671 N C -0.542 175.022 175.510 0.090 0.000 0.987 671 N CA 0.047 53.152 53.050 0.092 0.000 0.782 671 N CB -0.247 38.284 38.487 0.073 0.000 0.903 671 N HN 0.356 nan 8.380 nan 0.000 0.547 672 E N 0.109 120.372 120.200 0.106 0.000 2.410 672 E HA 0.058 4.409 4.350 0.001 0.000 0.255 672 E C 0.287 176.942 176.600 0.092 0.000 1.194 672 E CA -0.243 56.218 56.400 0.102 0.000 0.955 672 E CB 0.620 30.395 29.700 0.126 0.000 0.988 672 E HN 0.252 nan 8.360 nan 0.000 0.461 673 S N 0.514 116.263 115.700 0.082 0.000 2.564 673 S HA 0.121 4.592 4.470 0.001 0.000 0.278 673 S C 0.301 174.947 174.600 0.076 0.000 1.333 673 S CA -0.428 57.816 58.200 0.073 0.000 1.048 673 S CB 0.159 63.397 63.200 0.062 0.000 0.900 673 S HN 0.423 nan 8.310 nan 0.000 0.505 674 L N 3.265 124.533 121.223 0.075 0.000 3.110 674 L HA 0.341 4.681 4.340 0.001 0.000 0.266 674 L C -0.216 176.692 176.870 0.063 0.000 1.257 674 L CA -0.190 54.696 54.840 0.076 0.000 1.038 674 L CB 0.346 42.458 42.059 0.089 0.000 1.395 674 L HN 0.587 nan 8.230 nan 0.000 0.566 675 D N 1.112 121.545 120.400 0.056 0.000 2.316 675 D HA 0.058 4.699 4.640 0.001 0.000 0.245 675 D C 0.733 177.058 176.300 0.041 0.000 1.171 675 D CA 0.062 54.090 54.000 0.047 0.000 0.856 675 D CB 0.370 41.196 40.800 0.044 0.000 1.090 675 D HN 0.161 nan 8.370 nan 0.000 0.476 676 N N 2.796 121.517 118.700 0.037 0.000 2.686 676 N HA -0.257 4.484 4.740 0.001 0.000 0.261 676 N C -1.248 174.280 175.510 0.030 0.000 1.001 676 N CA 0.675 53.743 53.050 0.029 0.000 0.764 676 N CB -0.387 38.114 38.487 0.023 0.000 0.898 676 N HN 0.435 nan 8.380 nan 0.000 0.544 677 T N -0.532 114.044 114.554 0.036 0.000 2.787 677 T HA 0.119 4.469 4.350 0.001 0.000 0.297 677 T C -1.561 173.161 174.700 0.037 0.000 1.221 677 T CA -0.616 61.506 62.100 0.037 0.000 1.006 677 T CB 1.454 70.350 68.868 0.047 0.000 1.328 677 T HN 0.188 nan 8.240 nan 0.000 0.509 678 D N 1.707 122.128 120.400 0.035 0.000 2.346 678 D HA 0.436 5.077 4.640 0.001 0.000 0.267 678 D C -0.060 176.279 176.300 0.066 0.000 1.320 678 D CA 0.106 54.124 54.000 0.030 0.000 0.951 678 D CB 0.150 40.956 40.800 0.010 0.000 1.079 678 D HN 0.710 nan 8.370 nan 0.000 0.509 679 A N 3.061 125.923 122.820 0.070 0.000 2.282 679 A HA 0.644 4.965 4.320 0.001 0.000 0.319 679 A C -0.631 177.020 177.584 0.112 0.000 1.121 679 A CA -0.621 51.477 52.037 0.102 0.000 0.836 679 A CB 1.461 20.521 19.000 0.100 0.000 1.146 679 A HN 0.346 nan 8.150 nan 0.000 0.494 680 V N 1.904 121.908 119.914 0.151 0.000 2.525 680 V HA 0.348 4.468 4.120 0.001 0.000 0.299 680 V C -0.420 175.741 176.094 0.112 0.000 1.034 680 V CA -0.497 61.851 62.300 0.080 0.000 0.863 680 V CB 1.491 33.354 31.823 0.068 0.000 0.999 680 V HN 0.681 nan 8.190 nan 0.000 0.423 681 V N 4.036 123.957 119.914 0.012 0.000 2.567 681 V HA 0.481 4.602 4.120 0.001 0.000 0.289 681 V C -0.933 175.173 176.094 0.019 0.000 1.049 681 V CA -0.420 61.961 62.300 0.134 0.000 0.969 681 V CB 1.620 33.506 31.823 0.105 0.000 0.995 681 V HN 0.900 nan 8.190 nan 0.000 0.471 682 W N 4.472 125.904 121.300 0.220 0.000 2.554 682 W HA 0.713 5.374 4.660 0.001 0.000 0.324 682 W C -0.342 176.357 176.519 0.300 0.000 1.018 682 W CA -0.622 56.862 57.345 0.232 0.000 1.243 682 W CB 1.149 30.719 29.460 0.183 0.000 1.345 682 W HN 0.273 nan 8.180 nan 0.000 0.441 683 M N 3.134 123.006 119.600 0.452 0.000 2.268 683 M HA 0.487 4.967 4.480 0.001 0.000 0.344 683 M C -0.238 176.320 176.300 0.430 0.000 1.106 683 M CA -0.340 55.194 55.300 0.390 0.000 1.010 683 M CB 1.848 34.615 32.600 0.279 0.000 1.649 683 M HN 0.203 nan 8.290 nan 0.000 0.443 684 T N 1.517 116.319 114.554 0.412 0.000 2.797 684 T HA 0.536 4.887 4.350 0.001 0.000 0.279 684 T C -0.438 174.458 174.700 0.327 0.000 0.991 684 T CA -0.425 61.906 62.100 0.386 0.000 0.979 684 T CB 1.580 70.703 68.868 0.425 0.000 0.943 684 T HN 0.720 nan 8.240 nan 0.000 0.444 685 T N 1.633 116.393 114.554 0.343 0.000 2.933 685 T HA 0.779 5.130 4.350 0.001 0.000 0.305 685 T C -0.590 174.325 174.700 0.358 0.000 1.092 685 T CA -0.283 62.023 62.100 0.343 0.000 1.008 685 T CB 1.364 70.467 68.868 0.391 0.000 1.102 685 T HN 0.881 nan 8.240 nan 0.000 0.469 686 G N 1.417 110.384 108.800 0.279 0.000 2.600 686 G HA2 0.696 4.657 3.960 0.001 0.000 0.293 686 G HA3 0.696 4.657 3.960 0.001 0.000 0.293 686 G C -0.726 174.295 174.900 0.202 0.000 1.408 686 G CA -0.125 45.120 45.100 0.241 0.000 0.782 686 G HN 1.040 nan 8.290 nan 0.000 0.482 687 T N -2.897 111.772 114.554 0.191 0.000 2.916 687 T HA 0.744 5.094 4.350 0.001 0.000 0.292 687 T C -0.736 173.992 174.700 0.047 0.000 1.064 687 T CA -0.660 61.534 62.100 0.156 0.000 1.011 687 T CB 2.119 71.140 68.868 0.254 0.000 1.152 687 T HN 0.480 nan 8.240 nan 0.000 0.510 688 T N 1.577 116.117 114.554 -0.022 0.000 2.809 688 T HA 0.337 4.688 4.350 0.001 0.000 0.296 688 T C -0.954 173.632 174.700 -0.190 0.000 1.015 688 T CA -0.439 61.592 62.100 -0.116 0.000 0.954 688 T CB -0.020 68.788 68.868 -0.098 0.000 0.950 688 T HN 0.784 nan 8.240 nan 0.000 0.450 689 H N 3.544 122.328 119.070 -0.477 0.000 2.690 689 H HA 0.544 5.101 4.556 0.001 0.000 0.289 689 H C -0.902 174.122 175.328 -0.507 0.000 1.089 689 H CA -0.714 54.950 56.048 -0.640 0.000 1.299 689 H CB 0.483 29.825 29.762 -0.700 0.000 1.405 689 H HN 0.282 nan 8.280 nan 0.000 0.463 690 V N 5.390 125.241 119.914 -0.106 0.000 2.328 690 V HA 0.335 4.455 4.120 0.001 0.000 0.278 690 V C 0.566 176.673 176.094 0.021 0.000 1.021 690 V CA -0.581 61.653 62.300 -0.111 0.000 0.838 690 V CB 0.649 32.419 31.823 -0.087 0.000 0.999 690 V HN 0.923 nan 8.190 nan 0.000 0.447 691 A N 6.500 129.263 122.820 -0.096 0.000 2.366 691 A HA 0.774 5.095 4.320 0.001 0.000 0.250 691 A C 0.381 178.003 177.584 0.063 0.000 1.099 691 A CA -0.143 51.911 52.037 0.028 0.000 0.794 691 A CB 0.423 19.354 19.000 -0.115 0.000 1.056 691 A HN 1.017 nan 8.150 nan 0.000 0.499 692 R N -1.144 119.426 120.500 0.116 0.000 2.710 692 R HA 0.629 4.969 4.340 0.001 0.000 0.270 692 R C 0.378 176.735 176.300 0.095 0.000 1.021 692 R CA -0.179 55.968 56.100 0.078 0.000 0.889 692 R CB 1.067 31.419 30.300 0.087 0.000 1.243 692 R HN 0.782 nan 8.270 nan 0.000 0.464 693 A N 1.178 124.038 122.820 0.067 0.000 1.986 693 A HA -0.183 4.138 4.320 0.001 0.000 0.220 693 A C 1.374 179.040 177.584 0.136 0.000 1.171 693 A CA 1.894 53.988 52.037 0.096 0.000 0.640 693 A CB -0.629 18.403 19.000 0.053 0.000 0.811 693 A HN 0.838 nan 8.150 nan 0.000 0.451 694 E N 0.267 120.531 120.200 0.106 0.000 2.401 694 E HA -0.125 4.226 4.350 0.001 0.000 0.199 694 E C 1.197 177.865 176.600 0.113 0.000 1.023 694 E CA 1.187 57.643 56.400 0.093 0.000 0.859 694 E CB -0.158 29.584 29.700 0.070 0.000 0.780 694 E HN 0.805 nan 8.360 nan 0.000 0.523 695 E N -0.899 119.403 120.200 0.169 0.000 2.465 695 E HA 0.052 4.403 4.350 0.001 0.000 0.195 695 E C -0.350 176.416 176.600 0.277 0.000 1.028 695 E CA -0.267 56.249 56.400 0.193 0.000 0.899 695 E CB 0.411 30.264 29.700 0.255 0.000 1.032 695 E HN 0.185 nan 8.360 nan 0.000 0.468 696 W N 1.766 123.078 121.300 0.019 0.000 2.915 696 W HA 0.250 4.911 4.660 0.001 0.000 0.337 696 W C -2.339 174.189 176.519 0.016 0.000 1.102 696 W CA -2.183 55.170 57.345 0.012 0.000 1.224 696 W CB 1.755 31.222 29.460 0.013 0.000 1.416 696 W HN -0.140 nan 8.180 nan 0.000 0.503 697 P HA 0.078 nan 4.420 nan 0.000 0.237 697 P C -0.024 176.907 177.300 -0.616 0.000 1.178 697 P CA 0.863 63.263 63.100 -1.166 0.000 0.766 697 P CB 1.261 32.459 31.700 -0.837 0.000 0.876 698 I N -0.942 119.460 120.570 -0.280 0.000 2.619 698 I HA 0.358 4.529 4.170 0.001 0.000 0.292 698 I C -0.940 175.105 176.117 -0.121 0.000 1.100 698 I CA -1.631 59.519 61.300 -0.250 0.000 1.043 698 I CB 2.695 40.536 38.000 -0.265 0.000 1.239 698 I HN -0.308 nan 8.210 nan 0.000 0.420 699 M N 9.203 128.731 119.600 -0.119 0.000 2.108 699 M HA 0.490 4.971 4.480 0.001 0.000 0.354 699 M C -2.442 173.785 176.300 -0.122 0.000 1.229 699 M CA -1.572 53.690 55.300 -0.064 0.000 1.081 699 M CB 1.111 33.705 32.600 -0.009 0.000 1.606 699 M HN 0.274 nan 8.290 nan 0.000 0.467 700 P HA 0.037 nan 4.420 nan 0.000 0.265 700 P C -0.896 176.302 177.300 -0.170 0.000 1.193 700 P CA 0.096 63.135 63.100 -0.101 0.000 0.765 700 P CB 0.260 31.926 31.700 -0.056 0.000 0.823 701 T N 3.859 118.301 114.554 -0.187 0.000 2.871 701 T HA 0.035 4.386 4.350 0.001 0.000 0.296 701 T C 0.276 174.764 174.700 -0.354 0.000 0.998 701 T CA 0.202 62.105 62.100 -0.328 0.000 1.162 701 T CB -0.148 68.539 68.868 -0.301 0.000 0.947 701 T HN 0.326 nan 8.240 nan 0.000 0.536 702 E N 2.388 122.275 120.200 -0.521 0.000 2.179 702 E HA 0.329 4.680 4.350 0.001 0.000 0.275 702 E C -0.851 175.437 176.600 -0.520 0.000 0.945 702 E CA -0.432 55.678 56.400 -0.485 0.000 0.792 702 E CB 1.635 30.872 29.700 -0.770 0.000 1.125 702 E HN 0.613 nan 8.360 nan 0.000 0.397 703 W N 1.347 122.485 121.300 -0.269 0.000 2.781 703 W HA 0.474 5.135 4.660 0.001 0.000 0.345 703 W C -0.377 175.889 176.519 -0.422 0.000 1.085 703 W CA -0.804 56.344 57.345 -0.328 0.000 1.198 703 W CB 1.591 30.872 29.460 -0.299 0.000 1.423 703 W HN 0.200 nan 8.180 nan 0.000 0.532 704 V N -0.410 119.373 119.914 -0.219 0.000 2.735 704 V HA 0.614 4.735 4.120 0.001 0.000 0.310 704 V C -0.765 175.066 176.094 -0.439 0.000 1.061 704 V CA -0.894 61.259 62.300 -0.245 0.000 0.913 704 V CB 1.658 33.499 31.823 0.031 0.000 1.005 704 V HN 0.614 nan 8.190 nan 0.000 0.428 705 H N 2.378 121.470 119.070 0.037 0.000 2.622 705 H HA 0.821 5.378 4.556 0.001 0.000 0.363 705 H C -0.259 175.022 175.328 -0.079 0.000 1.151 705 H CA 0.001 56.015 56.048 -0.056 0.000 1.184 705 H CB 2.382 32.083 29.762 -0.101 0.000 1.643 705 H HN 1.024 nan 8.280 nan 0.000 0.531 706 T N -0.030 114.510 114.554 -0.025 0.000 2.906 706 T HA 0.647 4.997 4.350 0.001 0.000 0.295 706 T C -0.925 173.687 174.700 -0.147 0.000 1.075 706 T CA -0.831 61.214 62.100 -0.093 0.000 1.005 706 T CB 2.010 70.796 68.868 -0.137 0.000 1.136 706 T HN 0.257 nan 8.240 nan 0.000 0.498 707 L N 0.857 121.998 121.223 -0.136 0.000 2.466 707 L HA 0.715 5.056 4.340 0.001 0.000 0.258 707 L C -1.762 175.052 176.870 -0.093 0.000 0.973 707 L CA -0.827 53.932 54.840 -0.135 0.000 0.826 707 L CB 2.299 44.296 42.059 -0.103 0.000 1.372 707 L HN 0.819 nan 8.230 nan 0.000 0.409 708 L N 3.570 124.753 121.223 -0.067 0.000 2.372 708 L HA 0.560 4.901 4.340 0.001 0.000 0.273 708 L C -0.818 176.136 176.870 0.141 0.000 0.989 708 L CA -0.620 54.264 54.840 0.073 0.000 0.841 708 L CB 1.577 43.675 42.059 0.064 0.000 1.225 708 L HN 0.476 nan 8.230 nan 0.000 0.414 709 K N 4.215 124.670 120.400 0.090 0.000 2.270 709 K HA 0.509 4.829 4.320 0.001 0.000 0.255 709 K C -2.609 173.730 176.600 -0.435 0.000 0.936 709 K CA -1.890 54.352 56.287 -0.075 0.000 0.809 709 K CB 2.114 34.609 32.500 -0.008 0.000 1.131 709 K HN 0.183 nan 8.250 nan 0.000 0.427 710 P HA -0.079 nan 4.420 nan 0.000 0.267 710 P C -1.005 176.137 177.300 -0.264 0.000 1.205 710 P CA 0.006 62.488 63.100 -1.030 0.000 0.765 710 P CB 0.456 31.875 31.700 -0.469 0.000 0.828 711 W N 5.603 126.721 121.300 -0.304 0.000 2.453 711 W HA 0.162 4.823 4.660 0.001 0.000 0.310 711 W C -0.389 176.101 176.519 -0.047 0.000 1.000 711 W CA -0.334 56.942 57.345 -0.115 0.000 1.367 711 W CB 0.165 29.577 29.460 -0.081 0.000 1.269 711 W HN 0.531 nan 8.180 nan 0.000 0.418 712 N N 3.435 122.080 118.700 -0.092 0.000 2.753 712 N HA -0.329 4.412 4.740 0.001 0.000 0.251 712 N C 0.391 175.904 175.510 0.005 0.000 1.097 712 N CA 1.619 54.649 53.050 -0.033 0.000 0.786 712 N CB -2.000 36.507 38.487 0.033 0.000 1.137 712 N HN 0.552 nan 8.380 nan 0.000 0.566 713 F N -0.034 119.790 119.950 -0.210 0.000 2.293 713 F HA 0.183 4.711 4.527 0.001 0.000 0.297 713 F C 0.720 176.181 175.800 -0.565 0.000 1.089 713 F CA 0.795 58.553 58.000 -0.403 0.000 1.377 713 F CB 0.200 38.839 39.000 -0.603 0.000 1.051 713 F HN -0.041 nan 8.300 nan 0.000 0.511 714 F N 0.094 120.061 119.950 0.027 0.000 2.518 714 F HA 0.278 4.806 4.527 0.001 0.000 0.338 714 F C 1.185 176.936 175.800 -0.080 0.000 1.065 714 F CA -0.947 57.022 58.000 -0.051 0.000 1.012 714 F CB 0.406 39.375 39.000 -0.052 0.000 1.297 714 F HN -0.297 nan 8.300 nan 0.000 0.489 715 D N -0.405 120.076 120.400 0.135 0.000 2.379 715 D HA 0.084 4.724 4.640 0.001 0.000 0.208 715 D C 0.017 176.320 176.300 0.005 0.000 1.065 715 D CA 0.523 54.541 54.000 0.031 0.000 0.848 715 D CB 0.542 41.348 40.800 0.010 0.000 0.949 715 D HN 0.749 nan 8.370 nan 0.000 0.509 716 E N -1.397 118.812 120.200 0.016 0.000 2.442 716 E HA 0.232 4.583 4.350 0.001 0.000 0.278 716 E C -1.116 175.441 176.600 -0.072 0.000 1.082 716 E CA -0.808 55.566 56.400 -0.044 0.000 0.861 716 E CB 0.336 30.006 29.700 -0.050 0.000 1.462 716 E HN -0.333 nan 8.360 nan 0.000 0.458 717 T N 2.815 117.304 114.554 -0.108 0.000 2.778 717 T HA 0.032 4.383 4.350 0.001 0.000 0.282 717 T C -1.782 172.835 174.700 -0.139 0.000 0.983 717 T CA -0.376 61.650 62.100 -0.125 0.000 1.193 717 T CB 0.238 69.002 68.868 -0.172 0.000 0.938 717 T HN 0.324 nan 8.240 nan 0.000 0.523 718 P HA -0.044 nan 4.420 nan 0.000 0.220 718 P C 1.302 178.498 177.300 -0.172 0.000 1.148 718 P CA 0.815 63.685 63.100 -0.382 0.000 0.803 718 P CB -0.012 31.234 31.700 -0.757 0.000 0.782 719 T N -4.246 110.290 114.554 -0.030 0.000 3.186 719 T HA 0.238 4.589 4.350 0.001 0.000 0.257 719 T C 1.398 176.177 174.700 0.131 0.000 1.029 719 T CA -0.200 61.933 62.100 0.055 0.000 0.916 719 T CB -0.920 68.013 68.868 0.107 0.000 1.041 719 T HN -0.007 nan 8.240 nan 0.000 0.562 720 L N 1.084 122.349 121.223 0.071 0.000 2.191 720 L HA 0.243 4.584 4.340 0.001 0.000 0.212 720 L C 1.597 178.502 176.870 0.058 0.000 1.103 720 L CA 1.160 56.047 54.840 0.078 0.000 0.769 720 L CB -0.784 41.265 42.059 -0.017 0.000 0.908 720 L HN 0.779 nan 8.230 nan 0.000 0.438 721 G N -1.458 107.353 108.800 0.018 0.000 2.479 721 G HA2 0.052 4.013 3.960 0.001 0.000 0.686 721 G HA3 0.052 4.013 3.960 0.001 0.000 0.686 721 G C -0.630 174.265 174.900 -0.008 0.000 1.295 721 G CA -0.611 44.491 45.100 0.003 0.000 0.922 721 G HN 0.315 nan 8.290 nan 0.000 0.582 722 A N -0.429 122.384 122.820 -0.011 0.000 2.450 722 A HA 0.596 4.917 4.320 0.001 0.000 0.255 722 A C 0.563 178.143 177.584 -0.007 0.000 1.096 722 A CA 0.050 52.081 52.037 -0.011 0.000 0.778 722 A CB 0.798 19.790 19.000 -0.013 0.000 1.031 722 A HN 1.994 nan 8.150 nan 0.000 0.494 723 L N 2.445 123.663 121.223 -0.007 0.000 2.477 723 L HA 0.107 4.448 4.340 0.001 0.000 0.272 723 L C 1.411 178.277 176.870 -0.006 0.000 1.157 723 L CA 0.716 55.552 54.840 -0.007 0.000 0.889 723 L CB 0.195 42.250 42.059 -0.008 0.000 1.158 723 L HN 0.832 nan 8.230 nan 0.000 0.473 724 K N 3.306 123.703 120.400 -0.006 0.000 2.432 724 K HA 0.031 4.352 4.320 0.001 0.000 0.196 724 K C 0.080 176.677 176.600 -0.006 0.000 1.038 724 K CA 0.714 56.998 56.287 -0.005 0.000 0.986 724 K CB 0.300 32.798 32.500 -0.004 0.000 0.782 724 K HN 0.559 nan 8.250 nan 0.000 0.485 725 K N -0.481 119.916 120.400 -0.006 0.000 2.433 725 K HA 0.353 4.674 4.320 0.001 0.000 0.252 725 K C -0.636 175.960 176.600 -0.007 0.000 1.015 725 K CA 0.269 56.553 56.287 -0.007 0.000 0.860 725 K CB 1.874 34.370 32.500 -0.007 0.000 1.359 725 K HN 0.150 nan 8.250 nan 0.000 0.452 726 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 53.996 54.000 -0.007 0.000 0.868 726 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 726 D HN 0.000 nan 8.370 nan 0.000 0.683