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 1mhy_1_D DATA FIRST_RESID 17 DATA SEQUENCE NRAPVGVEPQ EVHKWLQSFN WDFKENRTKY PTKYHMANET KEQFKVIAKE DATA SEQUENCE YARMEAAKDE RQFGTLLDGL TRLGAGNKVH PRWGETMKVI SNFLEVGEYN DATA SEQUENCE AIAASAMLWD SATAAEQKNG YLAQVLDEIR HTHQCAFINH YYSKHYHDPA DATA SEQUENCE GHNDARRTRA IGPLWKGMKR VFADGFISGD AVECSVNLQL VGEACFTNPL DATA SEQUENCE IVAVTEWASA NGDEITPTVF LSVETDELRH MANGYQTVVS IANDPASAKF DATA SEQUENCE LNTDLNNAFW TQQKYFTPVL GYLFEYGSKF KVEPWVKTWN RWVSEDWGGI DATA SEQUENCE WIGRLGKYGV ESPRSLRDAK RDAYWAHHDL ALAAYAMWPL GFARLALPDE DATA SEQUENCE EDQAWFEANY PGWADHYGKI FNEWKKLGYE DPKSGFIPYQ WLLANGHDVY DATA SEQUENCE IDRVSQVPFI PSLAKGTGSL RVHEFNGKKH SLTDDWGERQ WLIEPERYEC DATA SEQUENCE HNVFEQYEGR ELSEVIAEGH GVRSDGKTLI AQPHTRGDNL WTLEDIKRAG DATA SEQUENCE CVFPDPLAKF 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 17 N HA 0.000 nan 4.740 nan 0.000 0.220 17 N C 0.000 175.513 175.510 0.006 0.000 1.280 17 N CA 0.000 53.053 53.050 0.005 0.000 0.885 17 N CB 0.000 38.491 38.487 0.007 0.000 1.341 18 R N 0.367 120.871 120.500 0.005 0.000 2.552 18 R HA 0.231 nan 4.340 nan 0.000 0.314 18 R C -0.699 175.605 176.300 0.007 0.000 1.041 18 R CA -0.187 55.916 56.100 0.006 0.000 1.076 18 R CB 1.000 31.302 30.300 0.005 0.000 1.290 18 R HN 0.460 8.733 8.270 0.005 0.000 0.563 19 A N 2.651 125.475 122.820 0.008 0.000 2.445 19 A HA 0.135 nan 4.320 nan 0.000 0.242 19 A C -1.784 175.806 177.584 0.009 0.000 1.075 19 A CA -1.244 50.798 52.037 0.008 0.000 0.777 19 A CB -0.089 18.916 19.000 0.009 0.000 1.013 19 A HN -0.312 7.781 8.150 0.008 0.062 0.493 20 P HA 0.115 nan 4.420 nan 0.000 0.282 20 P C -1.405 175.902 177.300 0.013 0.000 1.274 20 P CA 0.013 63.119 63.100 0.010 0.000 0.770 20 P CB -0.099 31.607 31.700 0.010 0.000 0.867 21 V N -0.833 119.090 119.914 0.014 0.000 3.078 21 V HA 0.504 nan 4.120 nan 0.000 0.311 21 V C -1.477 174.629 176.094 0.020 0.000 1.138 21 V CA -1.369 60.941 62.300 0.018 0.000 1.007 21 V CB 2.319 34.154 31.823 0.019 0.000 1.045 21 V HN 0.404 8.602 8.190 0.014 0.000 0.432 22 G N 1.252 110.067 108.800 0.025 0.000 3.166 22 G HA2 0.333 nan 3.960 nan 0.000 0.267 22 G HA3 0.333 nan 3.960 nan 0.000 0.267 22 G C -1.653 173.269 174.900 0.036 0.000 1.256 22 G CA 0.088 45.205 45.100 0.028 0.000 0.859 22 G HN 0.024 8.330 8.290 0.026 0.000 0.590 23 V N -0.023 119.917 119.914 0.042 0.000 2.524 23 V HA 0.201 nan 4.120 nan 0.000 0.297 23 V C -1.160 174.970 176.094 0.059 0.000 1.035 23 V CA -0.561 61.773 62.300 0.056 0.000 0.867 23 V CB 1.976 33.837 31.823 0.063 0.000 1.004 23 V HN 0.118 8.332 8.190 0.040 0.000 0.426 24 E N 7.772 128.007 120.200 0.060 0.000 2.366 24 E HA 0.291 nan 4.350 nan 0.000 0.266 24 E C -1.011 175.632 176.600 0.071 0.000 1.051 24 E CA -2.561 53.872 56.400 0.056 0.000 0.884 24 E CB 0.537 30.263 29.700 0.044 0.000 1.006 24 E HN 0.348 9.131 8.360 0.059 -0.388 0.417 25 P HA -0.286 nan 4.420 nan 0.000 0.216 25 P C 1.069 178.429 177.300 0.101 0.000 1.150 25 P CA 2.731 65.881 63.100 0.083 0.000 0.843 25 P CB -0.116 31.623 31.700 0.066 0.000 0.787 26 Q N -3.269 116.572 119.800 0.069 0.000 2.224 26 Q HA -0.248 nan 4.340 nan 0.000 0.203 26 Q C 2.253 178.313 176.000 0.101 0.000 0.970 26 Q CA 3.271 59.116 55.803 0.069 0.000 0.865 26 Q CB -1.717 27.030 28.738 0.015 0.000 0.922 26 Q HN 0.670 8.955 8.270 0.050 0.015 0.445 27 E N -0.167 120.098 120.200 0.109 0.000 2.077 27 E HA -0.273 nan 4.350 nan 0.000 0.193 27 E C 1.806 178.550 176.600 0.239 0.000 0.989 27 E CA 2.520 59.012 56.400 0.153 0.000 0.800 27 E CB -0.337 29.451 29.700 0.145 0.000 0.746 27 E HN -0.322 7.963 8.360 0.095 0.132 0.452 28 V N -1.490 118.552 119.914 0.212 0.000 2.407 28 V HA -0.190 nan 4.120 nan 0.000 0.245 28 V C 2.096 178.292 176.094 0.170 0.000 1.041 28 V CA 3.227 65.675 62.300 0.247 0.000 1.040 28 V CB -0.674 31.261 31.823 0.187 0.000 0.671 28 V HN -0.718 7.572 8.190 0.168 0.000 0.455 29 H N 0.735 119.822 119.070 0.030 0.000 2.387 29 H HA -0.348 nan 4.556 nan 0.000 0.299 29 H C 2.328 177.574 175.328 -0.138 0.000 1.099 29 H CA 3.885 59.895 56.048 -0.064 0.000 1.315 29 H CB -0.023 29.707 29.762 -0.052 0.000 1.380 29 H HN 0.079 8.422 8.280 0.215 0.065 0.513 30 K N -0.169 120.176 120.400 -0.091 0.000 2.228 30 K HA -0.326 nan 4.320 nan 0.000 0.205 30 K C 1.642 177.865 176.600 -0.629 0.000 1.045 30 K CA 2.724 58.804 56.287 -0.346 0.000 0.931 30 K CB -0.269 31.995 32.500 -0.394 0.000 0.727 30 K HN -0.220 8.042 8.250 0.037 0.010 0.458 31 W N -4.434 116.771 121.300 -0.158 0.000 3.220 31 W HA 0.108 nan 4.660 nan 0.000 0.328 31 W C 0.715 176.972 176.519 -0.437 0.000 1.205 31 W CA -0.335 56.922 57.345 -0.146 0.000 1.773 31 W CB 0.613 30.094 29.460 0.035 0.000 1.086 31 W HN -0.484 7.521 8.180 -0.049 0.147 0.622 32 L N 2.047 122.921 121.223 -0.581 0.000 2.083 32 L HA -0.389 nan 4.340 nan 0.000 0.209 32 L C 1.617 178.179 176.870 -0.513 0.000 1.083 32 L CA 3.576 57.844 54.840 -0.953 0.000 0.752 32 L CB -0.175 41.377 42.059 -0.845 0.000 0.899 32 L HN 0.023 7.748 8.230 -0.536 0.184 0.433 33 Q N -1.590 118.024 119.800 -0.310 0.000 2.234 33 Q HA -0.340 nan 4.340 nan 0.000 0.206 33 Q C 1.951 177.966 176.000 0.025 0.000 0.980 33 Q CA 2.947 58.674 55.803 -0.126 0.000 0.869 33 Q CB -0.623 28.046 28.738 -0.115 0.000 0.912 33 Q HN 0.558 8.608 8.270 -0.367 0.000 0.436 34 S N -0.212 115.547 115.700 0.097 0.000 2.603 34 S HA -0.111 nan 4.470 nan 0.000 0.220 34 S C 0.699 175.579 174.600 0.467 0.000 0.967 34 S CA 2.222 60.590 58.200 0.281 0.000 0.920 34 S CB -0.591 62.830 63.200 0.369 0.000 0.773 34 S HN -0.513 7.673 8.310 0.017 0.134 0.529 35 F N 1.077 121.128 119.950 0.169 0.000 2.456 35 F HA -0.019 nan 4.527 nan 0.000 0.298 35 F C 0.561 176.546 175.800 0.308 0.000 1.104 35 F CA 0.656 58.780 58.000 0.207 0.000 1.435 35 F CB -0.383 38.715 39.000 0.163 0.000 1.078 35 F HN -0.217 8.080 8.300 0.300 0.183 0.546 36 N N -1.131 117.829 118.700 0.433 0.000 2.483 36 N HA -0.073 nan 4.740 nan 0.000 0.269 36 N C -1.565 174.217 175.510 0.453 0.000 1.209 36 N CA 0.015 53.275 53.050 0.351 0.000 0.969 36 N CB 1.079 39.665 38.487 0.164 0.000 1.173 36 N HN -0.809 7.747 8.380 0.341 0.029 0.475 37 W N 0.203 121.638 121.300 0.224 0.000 3.029 37 W HA 0.288 nan 4.660 nan 0.000 0.339 37 W C -2.095 174.584 176.519 0.266 0.000 1.198 37 W CA -2.080 55.394 57.345 0.215 0.000 1.148 37 W CB 1.897 31.468 29.460 0.186 0.000 1.451 37 W HN -0.386 7.788 8.180 -0.009 0.000 0.564 38 D N 2.113 122.732 120.400 0.365 0.000 2.308 38 D HA 0.227 nan 4.640 nan 0.000 0.251 38 D C -1.208 175.321 176.300 0.383 0.000 1.127 38 D CA 0.644 54.773 54.000 0.214 0.000 0.876 38 D CB 0.506 41.407 40.800 0.168 0.000 1.176 38 D HN -0.052 8.577 8.370 0.431 0.000 0.446 39 F N -0.296 119.652 119.950 -0.003 0.000 2.665 39 F HA 0.294 nan 4.527 nan 0.000 0.308 39 F C 0.014 175.810 175.800 -0.006 0.000 1.112 39 F CA -1.803 56.218 58.000 0.034 0.000 0.972 39 F CB 1.633 40.676 39.000 0.072 0.000 1.295 39 F HN -0.461 7.712 8.300 -0.212 0.000 0.440 40 K N 1.112 121.603 120.400 0.152 0.000 2.052 40 K HA -0.411 nan 4.320 nan 0.000 0.215 40 K C 0.626 177.187 176.600 -0.066 0.000 1.053 40 K CA 2.917 59.224 56.287 0.034 0.000 0.934 40 K CB -0.237 32.313 32.500 0.082 0.000 0.717 40 K HN 0.428 8.827 8.250 0.249 0.000 0.450 41 E N -4.446 115.748 120.200 -0.010 0.000 2.502 41 E HA -0.042 nan 4.350 nan 0.000 0.194 41 E C -0.221 176.162 176.600 -0.363 0.000 1.062 41 E CA -0.169 56.187 56.400 -0.074 0.000 0.867 41 E CB -0.727 29.049 29.700 0.126 0.000 0.888 41 E HN -0.012 8.452 8.360 0.207 0.020 0.510 42 N N 2.027 120.216 118.700 -0.852 0.000 2.671 42 N HA -0.097 nan 4.740 nan 0.000 0.274 42 N C -1.084 174.161 175.510 -0.442 0.000 1.188 42 N CA 0.243 52.673 53.050 -1.032 0.000 1.065 42 N CB -0.513 37.066 38.487 -1.515 0.000 1.415 42 N HN -0.509 7.205 8.380 -0.796 0.188 0.511 43 R N -0.086 120.252 120.500 -0.269 0.000 2.710 43 R HA 0.353 nan 4.340 nan 0.000 0.270 43 R C -1.379 174.862 176.300 -0.098 0.000 1.021 43 R CA -0.961 55.056 56.100 -0.138 0.000 0.889 43 R CB 1.854 32.090 30.300 -0.107 0.000 1.243 43 R HN -0.236 7.855 8.270 -0.256 0.025 0.464 44 T N 0.821 115.353 114.554 -0.038 0.000 2.946 44 T HA -0.026 nan 4.350 nan 0.000 0.311 44 T C 0.126 174.777 174.700 -0.082 0.000 1.063 44 T CA 0.722 62.811 62.100 -0.018 0.000 1.139 44 T CB 0.301 69.206 68.868 0.062 0.000 0.994 44 T HN 0.272 8.510 8.240 -0.003 0.000 0.547 45 K N 5.484 125.774 120.400 -0.184 0.000 2.426 45 K HA -0.013 nan 4.320 nan 0.000 0.193 45 K C -0.114 176.177 176.600 -0.515 0.000 1.028 45 K CA 0.678 56.742 56.287 -0.371 0.000 1.047 45 K CB 0.689 32.868 32.500 -0.535 0.000 0.821 45 K HN 0.298 8.798 8.250 -0.141 -0.335 0.513 46 Y N 0.920 121.186 120.300 -0.057 0.000 2.352 46 Y HA 0.130 nan 4.550 nan 0.000 0.326 46 Y C -1.897 173.983 175.900 -0.033 0.000 1.166 46 Y CA -3.015 55.056 58.100 -0.049 0.000 1.182 46 Y CB -0.225 38.200 38.460 -0.059 0.000 1.216 46 Y HN -0.630 7.578 8.280 -0.019 0.061 0.474 47 P HA -0.015 nan 4.420 nan 0.000 0.271 47 P C -1.716 175.622 177.300 0.064 0.000 1.220 47 P CA 0.113 63.238 63.100 0.042 0.000 0.768 47 P CB 0.451 32.161 31.700 0.017 0.000 0.848 48 T N -0.128 114.453 114.554 0.046 0.000 2.840 48 T HA 0.178 nan 4.350 nan 0.000 0.317 48 T C -1.069 173.630 174.700 -0.001 0.000 1.401 48 T CA -0.648 61.499 62.100 0.077 0.000 1.028 48 T CB 2.966 71.929 68.868 0.158 0.000 1.317 48 T HN -0.354 7.900 8.240 0.023 0.000 0.495 49 K N 2.247 122.585 120.400 -0.103 0.000 2.367 49 K HA 0.157 nan 4.320 nan 0.000 0.194 49 K C -0.485 175.942 176.600 -0.288 0.000 1.027 49 K CA 0.341 56.410 56.287 -0.363 0.000 1.075 49 K CB 1.347 33.292 32.500 -0.925 0.000 0.845 49 K HN 0.306 8.856 8.250 0.007 -0.296 0.529 50 Y N -2.366 117.979 120.300 0.075 0.000 2.602 50 Y HA 0.362 nan 4.550 nan 0.000 0.330 50 Y C -0.991 174.993 175.900 0.140 0.000 1.114 50 Y CA -1.782 56.389 58.100 0.117 0.000 1.182 50 Y CB 2.439 40.952 38.460 0.088 0.000 1.305 50 Y HN -0.583 7.809 8.280 0.288 0.061 0.502 51 H N 1.371 120.574 119.070 0.221 0.000 2.823 51 H HA 0.236 nan 4.556 nan 0.000 0.332 51 H C -1.579 173.809 175.328 0.101 0.000 0.980 51 H CA -1.111 55.009 56.048 0.121 0.000 1.286 51 H CB 1.851 31.659 29.762 0.077 0.000 1.541 51 H HN 0.261 9.001 8.280 0.369 -0.239 0.521 52 M N 6.273 125.607 119.600 -0.443 0.000 2.188 52 M HA -0.093 nan 4.480 nan 0.000 0.354 52 M C -0.273 175.673 176.300 -0.591 0.000 1.342 52 M CA -0.283 54.802 55.300 -0.358 0.000 1.117 52 M CB 0.780 33.294 32.600 -0.145 0.000 1.670 52 M HN 0.326 8.462 8.290 -0.256 0.000 0.466 53 A N 3.307 125.936 122.820 -0.318 0.000 2.511 53 A HA -0.092 nan 4.320 nan 0.000 0.242 53 A C 0.200 177.719 177.584 -0.108 0.000 1.069 53 A CA 0.722 52.654 52.037 -0.175 0.000 0.763 53 A CB 0.335 19.293 19.000 -0.072 0.000 1.001 53 A HN 0.716 8.620 8.150 -0.213 0.118 0.498 54 N N 0.325 119.011 118.700 -0.025 0.000 2.521 54 N HA -0.213 nan 4.740 nan 0.000 0.188 54 N C 0.075 175.582 175.510 -0.005 0.000 1.146 54 N CA 1.744 54.793 53.050 -0.002 0.000 0.893 54 N CB -0.317 38.195 38.487 0.042 0.000 0.975 54 N HN 0.564 8.964 8.380 0.033 0.000 0.451 55 E N -2.422 117.771 120.200 -0.012 0.000 2.501 55 E HA 0.129 nan 4.350 nan 0.000 0.200 55 E C -0.548 176.031 176.600 -0.035 0.000 1.016 55 E CA -0.777 55.613 56.400 -0.017 0.000 0.921 55 E CB -0.221 29.475 29.700 -0.006 0.000 1.034 55 E HN -0.212 8.090 8.360 -0.013 0.051 0.468 56 T N 3.939 118.464 114.554 -0.049 0.000 2.928 56 T HA -0.074 nan 4.350 nan 0.000 0.305 56 T C -1.321 173.341 174.700 -0.064 0.000 1.035 56 T CA 2.162 64.224 62.100 -0.064 0.000 1.145 56 T CB 0.435 69.252 68.868 -0.085 0.000 0.963 56 T HN -0.566 7.577 8.240 -0.050 0.066 0.545 57 K N 3.451 123.815 120.400 -0.060 0.000 2.166 57 K HA 0.467 nan 4.320 nan 0.000 0.245 57 K C -0.948 175.617 176.600 -0.059 0.000 0.967 57 K CA -1.760 54.496 56.287 -0.052 0.000 0.863 57 K CB 2.233 34.705 32.500 -0.046 0.000 1.107 57 K HN 0.012 8.228 8.250 -0.057 0.000 0.436 58 E N 1.306 121.483 120.200 -0.038 0.000 2.222 58 E HA 0.277 nan 4.350 nan 0.000 0.267 58 E C -0.312 176.219 176.600 -0.115 0.000 0.963 58 E CA -1.848 54.518 56.400 -0.056 0.000 0.837 58 E CB 1.984 31.673 29.700 -0.017 0.000 1.183 58 E HN 0.214 8.921 8.360 0.006 -0.344 0.403 59 Q N -0.362 119.324 119.800 -0.189 0.000 2.212 59 Q HA -0.061 nan 4.340 nan 0.000 0.199 59 Q C 0.332 175.923 176.000 -0.681 0.000 0.950 59 Q CA 1.733 57.255 55.803 -0.468 0.000 0.863 59 Q CB 0.757 29.107 28.738 -0.648 0.000 0.944 59 Q HN 0.578 8.785 8.270 -0.104 0.000 0.465 60 F N -1.095 118.782 119.950 -0.121 0.000 2.411 60 F HA 0.133 nan 4.527 nan 0.000 0.352 60 F C -0.646 174.971 175.800 -0.305 0.000 1.123 60 F CA -1.454 56.452 58.000 -0.157 0.000 1.044 60 F CB 1.131 40.081 39.000 -0.082 0.000 1.135 60 F HN -0.460 7.849 8.300 0.015 0.000 0.461 61 K N 5.639 125.845 120.400 -0.323 0.000 2.480 61 K HA 0.035 nan 4.320 nan 0.000 0.241 61 K C -1.326 175.089 176.600 -0.308 0.000 1.261 61 K CA -0.303 55.491 56.287 -0.822 0.000 1.193 61 K CB -1.591 30.531 32.500 -0.629 0.000 1.598 61 K HN 0.448 8.576 8.250 -0.203 0.000 0.278 62 V N 1.602 121.459 119.914 -0.095 0.000 2.472 62 V HA 0.088 nan 4.120 nan 0.000 0.290 62 V C -1.552 174.624 176.094 0.136 0.000 1.037 62 V CA -1.034 61.304 62.300 0.064 0.000 0.908 62 V CB 1.953 33.841 31.823 0.108 0.000 0.985 62 V HN -0.334 7.750 8.190 -0.094 0.049 0.454 63 I N 0.214 120.863 120.570 0.130 0.000 2.982 63 I HA 0.584 nan 4.170 nan 0.000 0.312 63 I C 0.369 176.558 176.117 0.120 0.000 1.041 63 I CA -2.157 59.218 61.300 0.124 0.000 1.053 63 I CB 3.095 41.172 38.000 0.128 0.000 1.248 63 I HN -0.252 8.027 8.210 0.115 0.000 0.471 64 A N 1.702 124.577 122.820 0.093 0.000 1.917 64 A HA -0.256 nan 4.320 nan 0.000 0.219 64 A C 1.986 179.655 177.584 0.143 0.000 1.182 64 A CA 3.455 55.550 52.037 0.097 0.000 0.633 64 A CB -0.951 18.084 19.000 0.058 0.000 0.819 64 A HN 0.655 8.855 8.150 0.084 0.000 0.448 65 K N -2.563 117.904 120.400 0.112 0.000 2.057 65 K HA -0.172 nan 4.320 nan 0.000 0.206 65 K C 2.375 179.029 176.600 0.089 0.000 1.050 65 K CA 2.292 58.636 56.287 0.095 0.000 0.935 65 K CB -0.731 31.814 32.500 0.075 0.000 0.715 65 K HN 0.222 8.534 8.250 0.103 0.000 0.439 66 E N -0.255 120.000 120.200 0.092 0.000 2.150 66 E HA -0.195 nan 4.350 nan 0.000 0.193 66 E C 1.953 178.585 176.600 0.054 0.000 0.985 66 E CA 2.364 58.802 56.400 0.065 0.000 0.814 66 E CB -0.795 28.945 29.700 0.066 0.000 0.752 66 E HN 0.089 8.511 8.360 0.102 0.000 0.466 67 Y N 0.766 121.069 120.300 0.006 0.000 2.114 67 Y HA -0.464 nan 4.550 nan 0.000 0.284 67 Y C 1.191 177.090 175.900 -0.001 0.000 1.143 67 Y CA 3.869 61.965 58.100 -0.007 0.000 1.135 67 Y CB -0.082 38.370 38.460 -0.013 0.000 0.980 67 Y HN -0.143 8.275 8.280 0.229 0.000 0.499 68 A N -1.924 120.937 122.820 0.069 0.000 1.902 68 A HA -0.416 nan 4.320 nan 0.000 0.217 68 A C 1.834 179.376 177.584 -0.070 0.000 1.181 68 A CA 3.159 55.200 52.037 0.006 0.000 0.623 68 A CB -1.026 18.037 19.000 0.105 0.000 0.818 68 A HN -0.184 8.104 8.150 0.229 0.000 0.443 69 R N -1.331 119.146 120.500 -0.038 0.000 2.080 69 R HA -0.377 nan 4.340 nan 0.000 0.236 69 R C 2.418 178.668 176.300 -0.083 0.000 1.137 69 R CA 3.365 59.442 56.100 -0.039 0.000 0.943 69 R CB -0.143 30.149 30.300 -0.014 0.000 0.846 69 R HN -0.381 7.888 8.270 -0.001 0.000 0.431 70 M N -1.106 118.418 119.600 -0.127 0.000 2.065 70 M HA -0.432 nan 4.480 nan 0.000 0.259 70 M C 2.508 178.695 176.300 -0.190 0.000 1.069 70 M CA 3.932 59.140 55.300 -0.154 0.000 1.110 70 M CB -0.094 32.388 32.600 -0.197 0.000 1.328 70 M HN -0.022 8.196 8.290 -0.120 0.000 0.405 71 E N -2.129 117.890 120.200 -0.303 0.000 2.072 71 E HA -0.282 nan 4.350 nan 0.000 0.191 71 E C 2.332 178.859 176.600 -0.121 0.000 0.985 71 E CA 2.535 58.777 56.400 -0.263 0.000 0.801 71 E CB -0.507 28.942 29.700 -0.417 0.000 0.750 71 E HN -0.293 7.817 8.360 -0.417 0.000 0.452 72 A N -0.985 121.783 122.820 -0.086 0.000 1.908 72 A HA -0.275 nan 4.320 nan 0.000 0.218 72 A C 1.995 179.569 177.584 -0.017 0.000 1.181 72 A CA 3.047 55.073 52.037 -0.019 0.000 0.627 72 A CB -0.896 18.101 19.000 -0.004 0.000 0.818 72 A HN 0.266 8.347 8.150 -0.115 0.000 0.445 73 A N -2.367 120.429 122.820 -0.040 0.000 1.902 73 A HA -0.334 nan 4.320 nan 0.000 0.217 73 A C 2.174 179.732 177.584 -0.043 0.000 1.181 73 A CA 3.137 55.154 52.037 -0.034 0.000 0.623 73 A CB -0.774 18.201 19.000 -0.042 0.000 0.818 73 A HN -0.444 7.672 8.150 -0.057 0.000 0.443 74 K N -1.748 118.613 120.400 -0.065 0.000 2.057 74 K HA -0.382 nan 4.320 nan 0.000 0.207 74 K C 2.338 178.880 176.600 -0.097 0.000 1.049 74 K CA 3.318 59.557 56.287 -0.081 0.000 0.931 74 K CB -0.327 32.117 32.500 -0.092 0.000 0.714 74 K HN -0.812 7.391 8.250 -0.077 0.000 0.440 75 D N -0.294 120.064 120.400 -0.070 0.000 2.123 75 D HA -0.270 nan 4.640 nan 0.000 0.196 75 D C 2.536 178.836 176.300 -0.001 0.000 0.992 75 D CA 3.329 57.285 54.000 -0.073 0.000 0.833 75 D CB -0.660 40.221 40.800 0.135 0.000 0.954 75 D HN -0.074 8.268 8.370 -0.048 0.000 0.455 76 E N -0.960 119.268 120.200 0.047 0.000 2.085 76 E HA -0.356 nan 4.350 nan 0.000 0.194 76 E C 2.737 179.351 176.600 0.023 0.000 0.994 76 E CA 2.846 59.288 56.400 0.069 0.000 0.801 76 E CB -0.523 29.201 29.700 0.039 0.000 0.743 76 E HN -0.335 8.041 8.360 0.027 0.000 0.453 77 R N -1.598 118.884 120.500 -0.030 0.000 2.073 77 R HA -0.259 nan 4.340 nan 0.000 0.234 77 R C 2.274 178.520 176.300 -0.091 0.000 1.134 77 R CA 2.324 58.394 56.100 -0.050 0.000 0.952 77 R CB -0.735 29.529 30.300 -0.060 0.000 0.850 77 R HN -0.741 7.507 8.270 -0.037 0.000 0.433 78 Q N 0.003 119.694 119.800 -0.181 0.000 1.993 78 Q HA -0.265 nan 4.340 nan 0.000 0.202 78 Q C 2.521 178.335 176.000 -0.310 0.000 0.984 78 Q CA 3.354 58.972 55.803 -0.308 0.000 0.837 78 Q CB -0.073 28.363 28.738 -0.504 0.000 0.902 78 Q HN -0.445 7.714 8.270 -0.185 0.000 0.423 79 F N -2.123 117.757 119.950 -0.116 0.000 2.269 79 F HA -0.230 nan 4.527 nan 0.000 0.301 79 F C 2.381 178.154 175.800 -0.045 0.000 1.082 79 F CA 2.803 60.730 58.000 -0.122 0.000 1.360 79 F CB -0.686 38.221 39.000 -0.156 0.000 1.041 79 F HN 0.471 8.511 8.300 -0.434 0.000 0.512 80 G N -0.423 108.440 108.800 0.105 0.000 2.433 80 G HA2 -0.410 nan 3.960 nan 0.000 0.216 80 G HA3 -0.410 nan 3.960 nan 0.000 0.216 80 G C 1.104 176.029 174.900 0.042 0.000 1.186 80 G CA 2.205 47.348 45.100 0.071 0.000 0.779 80 G HN -0.051 8.264 8.290 0.069 0.016 0.543 81 T N 5.895 120.447 114.554 -0.004 0.000 2.684 81 T HA -0.350 nan 4.350 nan 0.000 0.267 81 T C 2.151 176.834 174.700 -0.027 0.000 1.036 81 T CA 5.255 67.338 62.100 -0.027 0.000 1.148 81 T CB -0.513 68.317 68.868 -0.064 0.000 0.863 81 T HN -0.257 7.969 8.240 -0.024 0.000 0.436 82 L N -0.160 121.043 121.223 -0.033 0.000 2.005 82 L HA -0.305 nan 4.340 nan 0.000 0.207 82 L C 1.800 178.746 176.870 0.126 0.000 1.072 82 L CA 3.714 58.519 54.840 -0.059 0.000 0.744 82 L CB -0.205 41.825 42.059 -0.049 0.000 0.895 82 L HN -0.152 8.056 8.230 -0.037 0.000 0.433 83 L N -4.067 117.290 121.223 0.223 0.000 2.240 83 L HA -0.293 nan 4.340 nan 0.000 0.211 83 L C 1.334 178.304 176.870 0.167 0.000 1.106 83 L CA 2.462 57.465 54.840 0.272 0.000 0.793 83 L CB -0.203 42.020 42.059 0.274 0.000 0.927 83 L HN -0.149 8.204 8.230 0.206 0.000 0.446 84 D N -1.193 119.273 120.400 0.111 0.000 2.648 84 D HA 0.051 nan 4.640 nan 0.000 0.261 84 D C 2.063 178.392 176.300 0.048 0.000 1.261 84 D CA 1.586 55.629 54.000 0.073 0.000 1.011 84 D CB 0.693 41.527 40.800 0.056 0.000 1.092 84 D HN -0.097 8.335 8.370 0.104 0.000 0.417 85 G N 0.518 109.336 108.800 0.029 0.000 2.514 85 G HA2 -0.300 nan 3.960 nan 0.000 0.217 85 G HA3 -0.300 nan 3.960 nan 0.000 0.217 85 G C 1.833 176.736 174.900 0.005 0.000 1.198 85 G CA 2.206 47.312 45.100 0.010 0.000 0.780 85 G HN -0.670 7.636 8.290 0.028 0.000 0.565 86 L N 0.006 121.227 121.223 -0.004 0.000 2.083 86 L HA -0.387 nan 4.340 nan 0.000 0.209 86 L C 2.273 179.149 176.870 0.011 0.000 1.083 86 L CA 3.065 57.898 54.840 -0.011 0.000 0.752 86 L CB -0.435 41.588 42.059 -0.061 0.000 0.899 86 L HN 0.250 8.475 8.230 -0.009 0.000 0.433 87 T N 0.666 115.242 114.554 0.037 0.000 2.821 87 T HA -0.271 nan 4.350 nan 0.000 0.267 87 T C 2.645 177.329 174.700 -0.026 0.000 1.046 87 T CA 4.260 66.339 62.100 -0.034 0.000 1.139 87 T CB -0.726 68.148 68.868 0.010 0.000 0.871 87 T HN -0.457 7.822 8.240 0.064 0.000 0.454 88 R N 2.503 123.006 120.500 0.005 0.000 2.120 88 R HA -0.204 nan 4.340 nan 0.000 0.234 88 R C 1.604 177.904 176.300 0.000 0.000 1.123 88 R CA 2.654 58.758 56.100 0.007 0.000 0.975 88 R CB -0.229 30.079 30.300 0.013 0.000 0.866 88 R HN -0.215 7.991 8.270 0.018 0.074 0.446 89 L N -2.933 118.289 121.223 -0.003 0.000 2.599 89 L HA 0.108 nan 4.340 nan 0.000 0.230 89 L C 0.146 177.015 176.870 -0.002 0.000 1.141 89 L CA -0.079 54.759 54.840 -0.003 0.000 0.877 89 L CB 0.193 42.249 42.059 -0.005 0.000 1.009 89 L HN -0.448 7.668 8.230 -0.003 0.113 0.447 90 G N -2.095 106.697 108.800 -0.012 0.000 2.283 90 G HA2 -0.406 nan 3.960 nan 0.000 0.280 90 G HA3 -0.406 nan 3.960 nan 0.000 0.280 90 G C 0.222 175.127 174.900 0.009 0.000 1.029 90 G CA 0.488 45.583 45.100 -0.010 0.000 0.840 90 G HN -0.462 7.617 8.290 -0.022 0.197 0.505 91 A N -0.367 122.457 122.820 0.007 0.000 2.070 91 A HA -0.160 nan 4.320 nan 0.000 0.220 91 A C 1.749 179.365 177.584 0.053 0.000 1.159 91 A CA 2.678 54.731 52.037 0.028 0.000 0.656 91 A CB -0.519 18.485 19.000 0.008 0.000 0.800 91 A HN -0.053 8.075 8.150 -0.006 0.019 0.453 92 G N -2.844 105.989 108.800 0.056 0.000 2.470 92 G HA2 -0.267 nan 3.960 nan 0.000 0.220 92 G HA3 -0.267 nan 3.960 nan 0.000 0.220 92 G C 0.111 175.098 174.900 0.145 0.000 1.121 92 G CA 1.130 46.269 45.100 0.065 0.000 0.766 92 G HN 0.462 8.711 8.290 0.012 0.048 0.553 93 N N -2.101 116.693 118.700 0.157 0.000 2.351 93 N HA 0.176 nan 4.740 nan 0.000 0.254 93 N C -0.201 175.427 175.510 0.198 0.000 1.241 93 N CA -0.619 52.569 53.050 0.229 0.000 0.883 93 N CB 0.304 38.886 38.487 0.159 0.000 1.202 93 N HN -0.695 7.713 8.380 0.104 0.035 0.512 94 K N -1.175 119.330 120.400 0.175 0.000 2.440 94 K HA 0.138 nan 4.320 nan 0.000 0.206 94 K C -1.383 175.336 176.600 0.199 0.000 1.025 94 K CA -0.681 55.693 56.287 0.145 0.000 1.135 94 K CB 0.484 33.037 32.500 0.090 0.000 0.856 94 K HN -0.433 7.746 8.250 0.161 0.167 0.502 95 V N -0.140 119.956 119.914 0.304 0.000 2.567 95 V HA 0.042 nan 4.120 nan 0.000 0.289 95 V C -0.105 176.259 176.094 0.450 0.000 1.049 95 V CA -1.114 61.425 62.300 0.399 0.000 0.969 95 V CB 0.613 32.744 31.823 0.514 0.000 0.995 95 V HN -0.806 7.511 8.190 0.349 0.082 0.471 96 H N 7.120 126.427 119.070 0.395 0.000 2.964 96 H HA 0.124 nan 4.556 nan 0.000 0.328 96 H C -0.214 175.378 175.328 0.441 0.000 1.030 96 H CA -0.041 56.232 56.048 0.375 0.000 1.445 96 H CB 2.211 32.183 29.762 0.350 0.000 1.449 96 H HN 0.264 8.864 8.280 0.532 0.000 0.581 97 P HA -0.291 nan 4.420 nan 0.000 0.216 97 P C 1.263 178.838 177.300 0.458 0.000 1.150 97 P CA 2.963 66.356 63.100 0.488 0.000 0.843 97 P CB 0.214 32.105 31.700 0.317 0.000 0.787 98 R N -2.301 118.535 120.500 0.560 0.000 2.083 98 R HA -0.321 nan 4.340 nan 0.000 0.237 98 R C 2.026 178.471 176.300 0.241 0.000 1.137 98 R CA 3.630 59.932 56.100 0.336 0.000 0.951 98 R CB -0.208 30.254 30.300 0.269 0.000 0.851 98 R HN -0.572 8.228 8.270 0.883 0.000 0.434 99 W N -0.880 120.536 121.300 0.194 0.000 2.418 99 W HA -0.184 nan 4.660 nan 0.000 0.292 99 W C 1.430 177.973 176.519 0.040 0.000 1.213 99 W CA 2.333 59.749 57.345 0.119 0.000 1.283 99 W CB 0.214 29.790 29.460 0.193 0.000 1.119 99 W HN -0.188 8.374 8.180 0.636 0.000 0.542 100 G N -2.193 106.671 108.800 0.106 0.000 2.432 100 G HA2 -0.430 nan 3.960 nan 0.000 0.219 100 G HA3 -0.430 nan 3.960 nan 0.000 0.219 100 G C 1.141 175.768 174.900 -0.456 0.000 1.135 100 G CA 2.041 46.985 45.100 -0.260 0.000 0.767 100 G HN -0.070 8.459 8.290 0.398 0.000 0.550 101 E N 0.337 120.413 120.200 -0.207 0.000 2.051 101 E HA -0.069 nan 4.350 nan 0.000 0.189 101 E C 3.167 179.465 176.600 -0.503 0.000 0.979 101 E CA 2.295 58.521 56.400 -0.290 0.000 0.803 101 E CB -0.499 29.126 29.700 -0.125 0.000 0.761 101 E HN -0.345 7.899 8.360 -0.016 0.106 0.451 102 T N 4.158 118.392 114.554 -0.532 0.000 2.759 102 T HA -0.263 nan 4.350 nan 0.000 0.269 102 T C 1.970 176.188 174.700 -0.805 0.000 1.042 102 T CA 4.519 66.204 62.100 -0.691 0.000 1.140 102 T CB -0.479 67.931 68.868 -0.763 0.000 0.864 102 T HN -0.035 7.904 8.240 -0.404 0.058 0.455 103 M N -0.551 118.507 119.600 -0.904 0.000 2.374 103 M HA -0.225 nan 4.480 nan 0.000 0.264 103 M C 1.759 177.734 176.300 -0.542 0.000 1.067 103 M CA 0.949 55.811 55.300 -0.730 0.000 1.103 103 M CB -1.490 30.647 32.600 -0.772 0.000 1.402 103 M HN 0.201 7.900 8.290 -0.963 0.013 0.444 104 K N -0.439 119.538 120.400 -0.705 0.000 2.097 104 K HA -0.280 nan 4.320 nan 0.000 0.206 104 K C 2.375 178.823 176.600 -0.253 0.000 1.049 104 K CA 3.219 59.147 56.287 -0.598 0.000 0.933 104 K CB -0.308 31.799 32.500 -0.655 0.000 0.717 104 K HN -0.330 7.297 8.250 -0.786 0.151 0.442 105 V N 0.325 119.937 119.914 -0.502 0.000 2.331 105 V HA -0.240 nan 4.120 nan 0.000 0.242 105 V C 1.739 177.569 176.094 -0.440 0.000 1.034 105 V CA 3.772 65.686 62.300 -0.644 0.000 1.027 105 V CB -0.240 31.019 31.823 -0.940 0.000 0.667 105 V HN -0.568 7.141 8.190 -0.617 0.110 0.457 106 I N -1.294 119.062 120.570 -0.357 0.000 2.163 106 I HA -0.646 nan 4.170 nan 0.000 0.243 106 I C 1.882 178.061 176.117 0.103 0.000 1.085 106 I CA 4.969 66.188 61.300 -0.135 0.000 1.347 106 I CB -0.219 37.669 38.000 -0.188 0.000 1.044 106 I HN 0.204 8.130 8.210 -0.474 0.000 0.408 107 S N -1.456 114.288 115.700 0.073 0.000 2.368 107 S HA -0.363 nan 4.470 nan 0.000 0.224 107 S C 2.029 176.792 174.600 0.271 0.000 1.029 107 S CA 3.264 61.598 58.200 0.225 0.000 0.988 107 S CB -0.373 62.919 63.200 0.153 0.000 0.838 107 S HN -0.278 7.990 8.310 -0.070 0.000 0.462 108 N N 1.600 120.437 118.700 0.228 0.000 2.270 108 N HA -0.212 nan 4.740 nan 0.000 0.181 108 N C 2.258 178.052 175.510 0.474 0.000 1.016 108 N CA 3.027 56.243 53.050 0.277 0.000 0.870 108 N CB 0.029 38.620 38.487 0.174 0.000 0.979 108 N HN -0.836 7.631 8.380 0.145 0.000 0.431 109 F N 0.303 120.398 119.950 0.241 0.000 2.146 109 F HA -0.166 nan 4.527 nan 0.000 0.298 109 F C 2.191 178.205 175.800 0.358 0.000 1.096 109 F CA 2.128 60.330 58.000 0.337 0.000 1.275 109 F CB -0.312 38.866 39.000 0.297 0.000 1.008 109 F HN 0.014 8.622 8.300 0.513 0.000 0.480 110 L N -2.397 119.141 121.223 0.525 0.000 2.131 110 L HA -0.471 nan 4.340 nan 0.000 0.210 110 L C 1.765 178.884 176.870 0.415 0.000 1.092 110 L CA 2.893 58.018 54.840 0.475 0.000 0.759 110 L CB -0.591 41.694 42.059 0.377 0.000 0.903 110 L HN -0.040 8.475 8.230 0.475 0.000 0.435 111 E N 0.230 120.659 120.200 0.382 0.000 2.058 111 E HA -0.430 nan 4.350 nan 0.000 0.194 111 E C 2.260 179.067 176.600 0.344 0.000 0.997 111 E CA 3.660 60.259 56.400 0.332 0.000 0.801 111 E CB -0.068 29.800 29.700 0.281 0.000 0.746 111 E HN -0.336 8.148 8.360 0.390 0.110 0.450 112 V N -1.230 118.906 119.914 0.370 0.000 2.490 112 V HA -0.263 nan 4.120 nan 0.000 0.250 112 V C 1.520 177.816 176.094 0.337 0.000 1.061 112 V CA 3.621 66.143 62.300 0.370 0.000 1.064 112 V CB -0.613 31.464 31.823 0.424 0.000 0.670 112 V HN -0.489 7.940 8.190 0.399 0.000 0.461 113 G N -1.292 107.724 108.800 0.360 0.000 2.403 113 G HA2 -0.235 nan 3.960 nan 0.000 0.216 113 G HA3 -0.235 nan 3.960 nan 0.000 0.216 113 G C 1.346 176.389 174.900 0.239 0.000 1.154 113 G CA 2.081 47.336 45.100 0.258 0.000 0.784 113 G HN -0.524 7.904 8.290 0.434 0.123 0.538 114 E N 2.103 122.446 120.200 0.239 0.000 2.072 114 E HA -0.274 nan 4.350 nan 0.000 0.191 114 E C 1.980 178.665 176.600 0.142 0.000 0.985 114 E CA 2.349 58.857 56.400 0.181 0.000 0.801 114 E CB -0.509 29.334 29.700 0.238 0.000 0.750 114 E HN -0.322 8.128 8.360 0.291 0.085 0.452 115 Y N 1.240 121.608 120.300 0.114 0.000 2.114 115 Y HA -0.422 nan 4.550 nan 0.000 0.284 115 Y C 2.402 178.347 175.900 0.075 0.000 1.143 115 Y CA 3.655 61.802 58.100 0.079 0.000 1.135 115 Y CB 0.162 38.684 38.460 0.103 0.000 0.980 115 Y HN 0.262 8.688 8.280 0.367 0.074 0.499 116 N N -0.631 118.142 118.700 0.122 0.000 2.364 116 N HA -0.355 nan 4.740 nan 0.000 0.183 116 N C 1.715 177.235 175.510 0.016 0.000 1.022 116 N CA 3.163 56.249 53.050 0.059 0.000 0.883 116 N CB -0.530 38.078 38.487 0.201 0.000 0.965 116 N HN 0.324 8.896 8.380 0.320 0.000 0.438 117 A N -0.438 122.390 122.820 0.014 0.000 2.067 117 A HA -0.148 nan 4.320 nan 0.000 0.219 117 A C 1.725 179.166 177.584 -0.238 0.000 1.158 117 A CA 2.471 54.382 52.037 -0.210 0.000 0.661 117 A CB -0.891 17.942 19.000 -0.278 0.000 0.801 117 A HN -0.278 7.811 8.150 0.094 0.117 0.452 118 I N -0.761 119.665 120.570 -0.241 0.000 2.133 118 I HA -0.568 nan 4.170 nan 0.000 0.238 118 I C 1.466 177.457 176.117 -0.211 0.000 1.074 118 I CA 3.930 65.083 61.300 -0.244 0.000 1.342 118 I CB -0.333 37.471 38.000 -0.327 0.000 1.053 118 I HN -0.265 7.644 8.210 -0.248 0.152 0.404 119 A N -1.532 121.139 122.820 -0.249 0.000 1.933 119 A HA -0.361 nan 4.320 nan 0.000 0.218 119 A C 1.878 179.345 177.584 -0.196 0.000 1.175 119 A CA 3.059 54.981 52.037 -0.193 0.000 0.628 119 A CB -1.054 17.844 19.000 -0.170 0.000 0.814 119 A HN -0.524 7.425 8.150 -0.335 0.000 0.444 120 A N -2.375 120.326 122.820 -0.199 0.000 1.902 120 A HA -0.275 nan 4.320 nan 0.000 0.217 120 A C 2.213 179.624 177.584 -0.289 0.000 1.181 120 A CA 3.086 54.978 52.037 -0.243 0.000 0.623 120 A CB -0.703 18.138 19.000 -0.265 0.000 0.818 120 A HN 0.188 8.230 8.150 -0.179 0.000 0.443 121 S N -0.817 114.729 115.700 -0.256 0.000 2.423 121 S HA -0.300 nan 4.470 nan 0.000 0.231 121 S C 1.945 176.499 174.600 -0.077 0.000 1.014 121 S CA 3.804 61.871 58.200 -0.223 0.000 0.965 121 S CB -0.377 62.714 63.200 -0.183 0.000 0.785 121 S HN -0.234 7.825 8.310 -0.245 0.105 0.495 122 A N 2.124 124.927 122.820 -0.029 0.000 1.898 122 A HA -0.216 nan 4.320 nan 0.000 0.216 122 A C 1.686 179.171 177.584 -0.166 0.000 1.181 122 A CA 3.028 55.106 52.037 0.069 0.000 0.620 122 A CB -0.846 18.123 19.000 -0.050 0.000 0.819 122 A HN -0.247 7.739 8.150 -0.096 0.106 0.442 123 M N -0.862 118.553 119.600 -0.309 0.000 2.159 123 M HA -0.387 nan 4.480 nan 0.000 0.263 123 M C 2.212 178.289 176.300 -0.370 0.000 1.063 123 M CA 3.703 58.699 55.300 -0.506 0.000 1.110 123 M CB 0.146 32.359 32.600 -0.645 0.000 1.374 123 M HN -0.387 7.659 8.290 -0.289 0.070 0.411 124 L N -2.433 118.549 121.223 -0.401 0.000 2.179 124 L HA -0.311 nan 4.340 nan 0.000 0.208 124 L C 1.708 178.410 176.870 -0.281 0.000 1.096 124 L CA 2.405 56.893 54.840 -0.586 0.000 0.779 124 L CB -0.459 40.838 42.059 -1.268 0.000 0.922 124 L HN -0.267 7.623 8.230 -0.400 0.101 0.443 125 W N 0.466 121.626 121.300 -0.233 0.000 2.358 125 W HA -0.423 nan 4.660 nan 0.000 0.303 125 W C 1.005 177.554 176.519 0.050 0.000 1.208 125 W CA 1.553 58.944 57.345 0.076 0.000 1.274 125 W CB -0.629 28.853 29.460 0.037 0.000 1.138 125 W HN 0.031 8.139 8.180 0.013 0.080 0.515 126 D N -1.895 118.470 120.400 -0.057 0.000 2.178 126 D HA -0.332 nan 4.640 nan 0.000 0.202 126 D C 2.587 178.914 176.300 0.046 0.000 0.974 126 D CA 3.347 57.294 54.000 -0.090 0.000 0.841 126 D CB -0.237 40.560 40.800 -0.006 0.000 0.953 126 D HN -0.214 8.001 8.370 -0.114 0.087 0.478 127 S N -0.029 115.700 115.700 0.049 0.000 2.406 127 S HA -0.218 nan 4.470 nan 0.000 0.228 127 S C 0.072 174.724 174.600 0.086 0.000 1.020 127 S CA 1.383 59.621 58.200 0.063 0.000 0.965 127 S CB 0.203 63.404 63.200 0.001 0.000 0.798 127 S HN -0.670 7.495 8.310 -0.008 0.140 0.488 128 A N -1.047 121.867 122.820 0.157 0.000 2.386 128 A HA 0.048 nan 4.320 nan 0.000 0.248 128 A C 0.167 177.805 177.584 0.090 0.000 1.082 128 A CA 0.593 52.721 52.037 0.152 0.000 0.789 128 A CB 1.232 20.393 19.000 0.268 0.000 1.025 128 A HN -0.521 7.755 8.150 0.209 0.000 0.490 129 T N -5.337 109.235 114.554 0.031 0.000 3.034 129 T HA 0.069 nan 4.350 nan 0.000 0.248 129 T C 0.237 174.950 174.700 0.021 0.000 1.040 129 T CA 0.153 62.264 62.100 0.019 0.000 1.107 129 T CB 0.306 69.184 68.868 0.017 0.000 0.932 129 T HN 0.382 8.620 8.240 -0.003 0.000 0.474 130 A N 1.910 124.735 122.820 0.009 0.000 2.401 130 A HA 0.175 nan 4.320 nan 0.000 0.259 130 A C 0.536 178.125 177.584 0.008 0.000 1.103 130 A CA -0.699 51.338 52.037 -0.000 0.000 0.789 130 A CB 1.295 20.277 19.000 -0.030 0.000 1.035 130 A HN -0.466 7.681 8.150 -0.004 0.000 0.491 131 A N 4.984 127.807 122.820 0.005 0.000 1.933 131 A HA -0.308 nan 4.320 nan 0.000 0.218 131 A C 2.378 179.923 177.584 -0.065 0.000 1.175 131 A CA 3.315 55.350 52.037 -0.002 0.000 0.628 131 A CB -0.350 18.645 19.000 -0.008 0.000 0.814 131 A HN 0.745 8.967 8.150 0.004 -0.070 0.444 132 E N -1.731 118.412 120.200 -0.095 0.000 2.077 132 E HA -0.460 nan 4.350 nan 0.000 0.193 132 E C 2.117 178.657 176.600 -0.100 0.000 0.989 132 E CA 3.338 59.682 56.400 -0.093 0.000 0.800 132 E CB -0.374 29.284 29.700 -0.071 0.000 0.746 132 E HN 0.223 8.906 8.360 -0.088 -0.375 0.452 133 Q N -0.235 119.494 119.800 -0.118 0.000 2.079 133 Q HA -0.280 nan 4.340 nan 0.000 0.200 133 Q C 2.381 178.236 176.000 -0.243 0.000 0.974 133 Q CA 3.189 58.855 55.803 -0.228 0.000 0.840 133 Q CB -0.220 28.413 28.738 -0.175 0.000 0.898 133 Q HN 0.080 8.299 8.270 -0.085 0.000 0.430 134 K N -1.236 119.148 120.400 -0.028 0.000 2.097 134 K HA -0.414 nan 4.320 nan 0.000 0.206 134 K C 2.426 178.948 176.600 -0.130 0.000 1.049 134 K CA 3.533 59.878 56.287 0.096 0.000 0.933 134 K CB -0.380 32.231 32.500 0.185 0.000 0.717 134 K HN 0.014 8.262 8.250 -0.004 0.000 0.442 135 N N -0.579 118.028 118.700 -0.155 0.000 2.188 135 N HA -0.209 nan 4.740 nan 0.000 0.184 135 N C 2.239 177.651 175.510 -0.162 0.000 1.018 135 N CA 3.010 55.951 53.050 -0.181 0.000 0.858 135 N CB -0.248 38.183 38.487 -0.094 0.000 0.989 135 N HN -0.095 8.106 8.380 -0.112 0.112 0.426 136 G N -0.682 108.018 108.800 -0.167 0.000 2.408 136 G HA2 -0.256 nan 3.960 nan 0.000 0.217 136 G HA3 -0.256 nan 3.960 nan 0.000 0.217 136 G C 1.505 176.320 174.900 -0.142 0.000 1.150 136 G CA 2.211 47.220 45.100 -0.152 0.000 0.776 136 G HN 0.111 8.202 8.290 -0.191 0.084 0.542 137 Y N 1.537 121.781 120.300 -0.092 0.000 2.200 137 Y HA -0.191 nan 4.550 nan 0.000 0.290 137 Y C 2.116 177.895 175.900 -0.202 0.000 1.137 137 Y CA 1.506 59.541 58.100 -0.110 0.000 1.163 137 Y CB -0.457 37.997 38.460 -0.011 0.000 0.988 137 Y HN -0.464 7.642 8.280 -0.291 0.000 0.518 138 L N 0.153 121.258 121.223 -0.195 0.000 2.012 138 L HA -0.474 nan 4.340 nan 0.000 0.210 138 L C 1.726 178.383 176.870 -0.355 0.000 1.073 138 L CA 2.943 57.509 54.840 -0.457 0.000 0.748 138 L CB -0.679 40.954 42.059 -0.710 0.000 0.891 138 L HN 0.210 8.244 8.230 -0.217 0.066 0.431 139 A N -2.646 120.001 122.820 -0.287 0.000 1.940 139 A HA -0.469 nan 4.320 nan 0.000 0.219 139 A C 1.939 179.400 177.584 -0.205 0.000 1.176 139 A CA 3.165 55.025 52.037 -0.294 0.000 0.631 139 A CB -0.989 17.950 19.000 -0.103 0.000 0.814 139 A HN -0.146 7.864 8.150 -0.233 0.000 0.446 140 Q N -1.350 118.340 119.800 -0.183 0.000 2.119 140 Q HA -0.265 nan 4.340 nan 0.000 0.201 140 Q C 2.146 177.973 176.000 -0.289 0.000 0.972 140 Q CA 3.138 58.740 55.803 -0.335 0.000 0.847 140 Q CB 0.139 28.576 28.738 -0.501 0.000 0.903 140 Q HN -0.571 7.514 8.270 -0.145 0.097 0.433 141 V N 1.584 121.370 119.914 -0.213 0.000 2.287 141 V HA -0.414 nan 4.120 nan 0.000 0.248 141 V C 2.459 178.447 176.094 -0.178 0.000 1.053 141 V CA 4.585 66.787 62.300 -0.164 0.000 1.027 141 V CB -0.997 30.779 31.823 -0.078 0.000 0.646 141 V HN -0.036 7.954 8.190 -0.188 0.087 0.447 142 L N -2.027 119.056 121.223 -0.234 0.000 2.056 142 L HA -0.346 nan 4.340 nan 0.000 0.207 142 L C 2.234 179.062 176.870 -0.070 0.000 1.078 142 L CA 3.090 57.812 54.840 -0.198 0.000 0.749 142 L CB -1.772 39.977 42.059 -0.517 0.000 0.901 142 L HN -0.256 7.790 8.230 -0.302 0.002 0.433 143 D N -0.098 120.266 120.400 -0.060 0.000 2.123 143 D HA -0.310 nan 4.640 nan 0.000 0.196 143 D C 2.735 178.755 176.300 -0.468 0.000 0.992 143 D CA 3.682 57.601 54.000 -0.135 0.000 0.833 143 D CB -0.588 40.241 40.800 0.047 0.000 0.954 143 D HN 0.066 8.376 8.370 -0.100 0.000 0.455 144 E N -1.262 118.756 120.200 -0.304 0.000 2.204 144 E HA -0.201 nan 4.350 nan 0.000 0.194 144 E C 2.520 179.025 176.600 -0.158 0.000 0.989 144 E CA 2.502 58.759 56.400 -0.237 0.000 0.824 144 E CB -0.500 29.090 29.700 -0.184 0.000 0.756 144 E HN 0.205 8.412 8.360 -0.240 0.010 0.477 145 I N 0.130 120.606 120.570 -0.156 0.000 2.286 145 I HA -0.391 nan 4.170 nan 0.000 0.245 145 I C 1.687 177.701 176.117 -0.171 0.000 1.104 145 I CA 3.409 64.606 61.300 -0.172 0.000 1.397 145 I CB -0.398 37.543 38.000 -0.098 0.000 1.072 145 I HN -0.972 7.030 8.210 -0.153 0.116 0.417 146 R N -0.063 120.403 120.500 -0.056 0.000 2.096 146 R HA -0.489 nan 4.340 nan 0.000 0.240 146 R C 2.221 178.645 176.300 0.207 0.000 1.139 146 R CA 4.028 60.181 56.100 0.089 0.000 0.952 146 R CB -0.201 30.155 30.300 0.092 0.000 0.854 146 R HN -0.104 8.045 8.270 -0.081 0.072 0.436 147 H N -2.344 116.777 119.070 0.086 0.000 2.389 147 H HA -0.179 nan 4.556 nan 0.000 0.299 147 H C 2.444 177.861 175.328 0.149 0.000 1.081 147 H CA 2.547 58.662 56.048 0.112 0.000 1.345 147 H CB -0.054 29.753 29.762 0.075 0.000 1.393 147 H HN 0.055 8.241 8.280 -0.156 0.000 0.520 148 T N 2.694 117.368 114.554 0.200 0.000 2.684 148 T HA -0.367 nan 4.350 nan 0.000 0.267 148 T C 2.095 176.959 174.700 0.274 0.000 1.036 148 T CA 5.506 67.721 62.100 0.192 0.000 1.148 148 T CB -0.672 68.251 68.868 0.091 0.000 0.863 148 T HN -0.068 8.233 8.240 0.102 0.000 0.436 149 H N 0.898 120.132 119.070 0.274 0.000 2.462 149 H HA -0.184 nan 4.556 nan 0.000 0.292 149 H C 2.506 178.048 175.328 0.358 0.000 1.049 149 H CA 2.289 58.506 56.048 0.282 0.000 1.334 149 H CB -0.042 29.867 29.762 0.245 0.000 1.404 149 H HN -0.326 7.975 8.280 0.047 0.007 0.544 150 Q N 0.307 120.375 119.800 0.447 0.000 2.083 150 Q HA -0.258 nan 4.340 nan 0.000 0.198 150 Q C 2.316 178.585 176.000 0.448 0.000 0.969 150 Q CA 3.572 59.623 55.803 0.412 0.000 0.838 150 Q CB 0.138 29.066 28.738 0.317 0.000 0.900 150 Q HN -0.239 8.154 8.270 0.398 0.116 0.436 151 C N -0.673 118.882 119.300 0.425 0.000 2.429 151 C HA -0.293 nan 4.460 nan 0.000 0.277 151 C C 1.857 177.061 174.990 0.357 0.000 1.262 151 C CA 4.102 63.369 59.018 0.415 0.000 1.733 151 C CB -1.642 26.328 27.740 0.382 0.000 2.010 151 C HN 0.259 8.727 8.230 0.395 0.000 0.483 152 A N -0.071 122.960 122.820 0.351 0.000 1.908 152 A HA -0.285 nan 4.320 nan 0.000 0.218 152 A C 1.549 179.315 177.584 0.304 0.000 1.181 152 A CA 3.122 55.336 52.037 0.295 0.000 0.627 152 A CB -0.978 18.193 19.000 0.285 0.000 0.818 152 A HN -0.123 8.248 8.150 0.369 0.000 0.445 153 F N -0.459 119.654 119.950 0.272 0.000 2.171 153 F HA -0.373 nan 4.527 nan 0.000 0.300 153 F C 1.595 177.604 175.800 0.349 0.000 1.090 153 F CA 3.940 62.122 58.000 0.303 0.000 1.293 153 F CB 0.357 39.563 39.000 0.344 0.000 1.013 153 F HN -0.283 8.149 8.300 0.548 0.197 0.486 154 I N -0.873 119.952 120.570 0.424 0.000 2.127 154 I HA -0.755 nan 4.170 nan 0.000 0.241 154 I C 1.438 177.763 176.117 0.348 0.000 1.075 154 I CA 4.732 66.243 61.300 0.352 0.000 1.334 154 I CB -0.465 37.684 38.000 0.248 0.000 1.040 154 I HN -0.041 8.437 8.210 0.446 0.000 0.405 155 N N -1.066 117.798 118.700 0.273 0.000 2.244 155 N HA -0.353 nan 4.740 nan 0.000 0.183 155 N C 2.228 177.833 175.510 0.159 0.000 1.016 155 N CA 3.627 56.819 53.050 0.235 0.000 0.866 155 N CB -0.222 38.405 38.487 0.234 0.000 0.980 155 N HN -0.478 8.064 8.380 0.270 0.000 0.430 156 H N 2.337 121.409 119.070 0.003 0.000 2.357 156 H HA -0.285 nan 4.556 nan 0.000 0.301 156 H C 1.825 177.061 175.328 -0.153 0.000 1.082 156 H CA 4.013 59.982 56.048 -0.131 0.000 1.342 156 H CB 0.346 29.927 29.762 -0.302 0.000 1.389 156 H HN -0.021 8.281 8.280 0.219 0.109 0.511 157 Y N 0.287 120.502 120.300 -0.141 0.000 2.145 157 Y HA -0.568 nan 4.550 nan 0.000 0.286 157 Y C 1.778 177.638 175.900 -0.066 0.000 1.145 157 Y CA 4.197 62.252 58.100 -0.075 0.000 1.148 157 Y CB 0.038 38.527 38.460 0.048 0.000 0.981 157 Y HN 0.103 8.366 8.280 0.146 0.105 0.507 158 Y N -2.343 117.918 120.300 -0.064 0.000 2.165 158 Y HA -0.559 nan 4.550 nan 0.000 0.286 158 Y C 2.512 178.233 175.900 -0.298 0.000 1.155 158 Y CA 4.434 62.344 58.100 -0.317 0.000 1.164 158 Y CB -0.138 37.709 38.460 -1.022 0.000 0.978 158 Y HN 0.292 8.749 8.280 0.294 0.000 0.513 159 S N -1.060 114.569 115.700 -0.118 0.000 2.383 159 S HA -0.272 nan 4.470 nan 0.000 0.229 159 S C 1.535 175.999 174.600 -0.226 0.000 1.030 159 S CA 3.311 61.445 58.200 -0.110 0.000 1.002 159 S CB -0.405 62.718 63.200 -0.128 0.000 0.829 159 S HN -0.122 8.050 8.310 -0.098 0.079 0.467 160 K N -1.221 118.921 120.400 -0.430 0.000 2.116 160 K HA -0.134 nan 4.320 nan 0.000 0.203 160 K C 1.395 177.587 176.600 -0.679 0.000 1.052 160 K CA 2.346 58.247 56.287 -0.643 0.000 0.952 160 K CB 0.696 32.570 32.500 -1.043 0.000 0.729 160 K HN -0.640 7.225 8.250 -0.456 0.111 0.446 161 H N -5.698 113.197 119.070 -0.291 0.000 3.046 161 H HA 0.155 nan 4.556 nan 0.000 0.262 161 H C -0.586 174.721 175.328 -0.035 0.000 1.044 161 H CA 0.223 56.142 56.048 -0.215 0.000 1.209 161 H CB 1.934 31.461 29.762 -0.392 0.000 1.507 161 H HN -0.605 7.447 8.280 -0.380 0.000 0.507 162 Y N 1.192 121.468 120.300 -0.041 0.000 2.376 162 Y HA -0.016 nan 4.550 nan 0.000 0.325 162 Y C 0.421 176.337 175.900 0.026 0.000 1.199 162 Y CA -0.651 57.462 58.100 0.022 0.000 1.206 162 Y CB 2.212 40.734 38.460 0.103 0.000 1.229 162 Y HN -0.217 8.141 8.280 0.130 0.000 0.480 163 H N 2.842 121.602 119.070 -0.517 0.000 2.489 163 H HA -0.268 nan 4.556 nan 0.000 0.293 163 H C -0.869 174.259 175.328 -0.333 0.000 1.066 163 H CA 1.239 57.049 56.048 -0.397 0.000 1.305 163 H CB 0.336 29.881 29.762 -0.363 0.000 1.386 163 H HN 0.267 8.455 8.280 -0.560 -0.244 0.551 164 D N -1.028 118.927 120.400 -0.741 0.000 2.408 164 D HA 0.385 nan 4.640 nan 0.000 0.261 164 D C -1.511 174.920 176.300 0.219 0.000 1.190 164 D CA -3.641 50.273 54.000 -0.143 0.000 0.910 164 D CB 0.577 41.322 40.800 -0.090 0.000 1.097 164 D HN -0.354 7.012 8.370 -1.607 0.039 0.522 165 P HA -0.004 nan 4.420 nan 0.000 0.229 165 P C -1.010 176.388 177.300 0.164 0.000 1.160 165 P CA 0.356 63.569 63.100 0.188 0.000 0.777 165 P CB 0.524 32.262 31.700 0.062 0.000 0.814 166 A N -2.515 120.371 122.820 0.111 0.000 2.511 166 A HA -0.196 nan 4.320 nan 0.000 0.242 166 A C 0.540 178.170 177.584 0.077 0.000 1.069 166 A CA 1.264 53.346 52.037 0.075 0.000 0.763 166 A CB -0.115 18.922 19.000 0.060 0.000 1.001 166 A HN -0.679 7.677 8.150 0.100 -0.146 0.498 167 G N 3.748 112.581 108.800 0.055 0.000 2.498 167 G HA2 -0.480 nan 3.960 nan 0.000 0.229 167 G HA3 -0.480 nan 3.960 nan 0.000 0.229 167 G C 0.950 175.864 174.900 0.024 0.000 1.156 167 G CA 1.702 46.845 45.100 0.072 0.000 0.680 167 G HN 0.145 8.573 8.290 0.032 -0.119 0.512 168 H N 3.025 122.113 119.070 0.031 0.000 2.462 168 H HA -0.088 nan 4.556 nan 0.000 0.292 168 H C 0.547 175.868 175.328 -0.011 0.000 1.049 168 H CA 2.422 58.466 56.048 -0.007 0.000 1.334 168 H CB 0.256 30.017 29.762 -0.001 0.000 1.404 168 H HN -0.355 7.897 8.280 0.116 0.098 0.544 169 N N -2.077 116.686 118.700 0.106 0.000 2.280 169 N HA -0.055 nan 4.740 nan 0.000 0.192 169 N C -0.545 174.951 175.510 -0.024 0.000 1.109 169 N CA 0.967 54.036 53.050 0.033 0.000 0.855 169 N CB 0.728 39.224 38.487 0.015 0.000 0.974 169 N HN -0.224 8.264 8.380 0.112 -0.041 0.482 170 D N -5.301 115.058 120.400 -0.068 0.000 2.755 170 D HA 0.014 nan 4.640 nan 0.000 0.293 170 D C -0.373 175.777 176.300 -0.250 0.000 1.642 170 D CA -0.332 53.591 54.000 -0.128 0.000 0.825 170 D CB -1.756 38.981 40.800 -0.104 0.000 1.303 170 D HN -0.518 7.813 8.370 -0.065 0.000 0.434 171 A N 1.127 123.751 122.820 -0.328 0.000 2.024 171 A HA -0.327 nan 4.320 nan 0.000 0.220 171 A C 1.588 178.822 177.584 -0.582 0.000 1.164 171 A CA 3.083 54.718 52.037 -0.670 0.000 0.643 171 A CB -0.464 18.125 19.000 -0.685 0.000 0.806 171 A HN -0.004 8.015 8.150 -0.219 0.000 0.451 172 R N -2.989 117.298 120.500 -0.354 0.000 2.193 172 R HA -0.273 nan 4.340 nan 0.000 0.229 172 R C 2.344 178.459 176.300 -0.308 0.000 1.110 172 R CA 3.068 58.981 56.100 -0.312 0.000 0.988 172 R CB -0.335 29.855 30.300 -0.183 0.000 0.871 172 R HN 0.382 8.457 8.270 -0.266 0.035 0.458 173 R N -2.660 117.669 120.500 -0.284 0.000 2.191 173 R HA 0.104 nan 4.340 nan 0.000 0.196 173 R C 2.280 178.434 176.300 -0.245 0.000 0.991 173 R CA 2.120 58.087 56.100 -0.221 0.000 1.075 173 R CB 0.460 30.670 30.300 -0.150 0.000 1.040 173 R HN -0.156 7.828 8.270 -0.277 0.119 0.526 174 T N -1.269 113.100 114.554 -0.308 0.000 3.007 174 T HA -0.018 nan 4.350 nan 0.000 0.270 174 T C 1.927 176.401 174.700 -0.376 0.000 1.107 174 T CA 2.907 64.842 62.100 -0.274 0.000 1.118 174 T CB -0.697 68.045 68.868 -0.210 0.000 0.889 174 T HN 0.200 8.242 8.240 -0.330 0.000 0.506 175 R N 1.000 121.084 120.500 -0.693 0.000 2.189 175 R HA -0.228 nan 4.340 nan 0.000 0.223 175 R C 1.576 177.631 176.300 -0.407 0.000 1.092 175 R CA 2.595 58.316 56.100 -0.632 0.000 0.989 175 R CB -0.967 28.676 30.300 -1.095 0.000 0.876 175 R HN 0.242 7.913 8.270 -0.788 0.126 0.457 176 A N -0.835 121.793 122.820 -0.321 0.000 2.121 176 A HA -0.140 nan 4.320 nan 0.000 0.218 176 A C 0.826 178.476 177.584 0.109 0.000 1.154 176 A CA 2.099 54.130 52.037 -0.010 0.000 0.679 176 A CB -0.810 18.192 19.000 0.004 0.000 0.795 176 A HN -0.548 7.348 8.150 -0.357 0.039 0.458 177 I N -3.594 117.017 120.570 0.069 0.000 2.353 177 I HA -0.260 nan 4.170 nan 0.000 0.248 177 I C 0.937 177.149 176.117 0.159 0.000 1.119 177 I CA 1.483 62.848 61.300 0.107 0.000 1.417 177 I CB 0.234 38.251 38.000 0.028 0.000 1.078 177 I HN -0.696 7.473 8.210 0.007 0.046 0.421 178 G N -2.891 106.010 108.800 0.169 0.000 2.462 178 G HA2 0.370 nan 3.960 nan 0.000 0.319 178 G HA3 0.370 nan 3.960 nan 0.000 0.319 178 G C -1.782 173.200 174.900 0.137 0.000 1.171 178 G CA -2.053 43.134 45.100 0.145 0.000 0.920 178 G HN -0.734 7.671 8.290 0.193 0.000 0.499 179 P HA -0.044 nan 4.420 nan 0.000 0.222 179 P C 1.166 178.515 177.300 0.082 0.000 1.153 179 P CA 1.701 64.793 63.100 -0.013 0.000 0.798 179 P CB 0.452 32.083 31.700 -0.114 0.000 0.796 180 L N -3.136 118.198 121.223 0.185 0.000 2.141 180 L HA -0.184 nan 4.340 nan 0.000 0.209 180 L C 1.920 179.011 176.870 0.369 0.000 1.094 180 L CA 2.289 57.317 54.840 0.313 0.000 0.763 180 L CB -0.598 41.688 42.059 0.378 0.000 0.908 180 L HN -0.175 8.155 8.230 0.167 0.000 0.437 181 W N -0.870 120.490 121.300 0.100 0.000 2.388 181 W HA -0.382 nan 4.660 nan 0.000 0.294 181 W C 0.705 177.037 176.519 -0.311 0.000 1.212 181 W CA 2.849 60.042 57.345 -0.253 0.000 1.271 181 W CB 0.269 29.686 29.460 -0.072 0.000 1.126 181 W HN -0.721 7.739 8.180 0.505 0.023 0.535 182 K N -2.749 117.482 120.400 -0.282 0.000 2.063 182 K HA -0.346 nan 4.320 nan 0.000 0.208 182 K C 2.448 178.750 176.600 -0.497 0.000 1.048 182 K CA 3.336 59.361 56.287 -0.437 0.000 0.928 182 K CB -1.235 31.133 32.500 -0.221 0.000 0.713 182 K HN -0.647 7.590 8.250 -0.022 0.000 0.442 183 G N -1.959 106.618 108.800 -0.373 0.000 2.408 183 G HA2 -0.208 nan 3.960 nan 0.000 0.217 183 G HA3 -0.208 nan 3.960 nan 0.000 0.217 183 G C 1.219 175.328 174.900 -1.318 0.000 1.150 183 G CA 1.468 46.244 45.100 -0.540 0.000 0.776 183 G HN 0.111 8.302 8.290 -0.162 0.003 0.542 184 M N 1.662 120.422 119.600 -1.400 0.000 2.159 184 M HA -0.257 nan 4.480 nan 0.000 0.263 184 M C 1.555 177.242 176.300 -1.022 0.000 1.063 184 M CA 1.976 56.445 55.300 -1.384 0.000 1.110 184 M CB -0.300 31.680 32.600 -1.032 0.000 1.374 184 M HN -0.677 6.982 8.290 -0.920 0.079 0.411 185 K N -1.538 118.213 120.400 -1.082 0.000 2.147 185 K HA -0.381 nan 4.320 nan 0.000 0.205 185 K C 2.259 178.515 176.600 -0.574 0.000 1.049 185 K CA 3.548 59.311 56.287 -0.875 0.000 0.936 185 K CB -0.563 31.358 32.500 -0.965 0.000 0.722 185 K HN -0.179 7.342 8.250 -1.201 0.008 0.446 186 R N -0.573 119.598 120.500 -0.548 0.000 2.066 186 R HA -0.155 nan 4.340 nan 0.000 0.232 186 R C 2.469 178.558 176.300 -0.352 0.000 1.131 186 R CA 3.026 58.913 56.100 -0.354 0.000 0.955 186 R CB -0.115 30.026 30.300 -0.265 0.000 0.851 186 R HN -0.627 7.142 8.270 -0.645 0.114 0.432 187 V N -4.889 114.722 119.914 -0.505 0.000 2.488 187 V HA -0.110 nan 4.120 nan 0.000 0.246 187 V C 1.635 177.552 176.094 -0.295 0.000 1.046 187 V CA 3.541 65.619 62.300 -0.370 0.000 1.053 187 V CB -0.446 31.025 31.823 -0.587 0.000 0.679 187 V HN -0.517 7.243 8.190 -0.716 0.000 0.458 188 F N -2.455 117.020 119.950 -0.792 0.000 2.661 188 F HA 0.353 nan 4.527 nan 0.000 0.306 188 F C -1.181 174.086 175.800 -0.887 0.000 1.094 188 F CA -2.365 54.968 58.000 -1.112 0.000 1.254 188 F CB -0.081 38.665 39.000 -0.424 0.000 1.040 188 F HN -0.099 7.934 8.300 -0.445 0.000 0.562 189 A N -0.341 122.200 122.820 -0.465 0.000 1.807 189 A HA 0.194 nan 4.320 nan 0.000 0.178 189 A C 1.586 179.081 177.584 -0.148 0.000 2.008 189 A CA 0.629 52.535 52.037 -0.219 0.000 1.178 189 A CB 0.555 19.437 19.000 -0.197 0.000 0.966 189 A HN -0.600 7.273 8.150 -0.463 0.000 0.653 190 D N 0.998 121.296 120.400 -0.170 0.000 2.123 190 D HA -0.284 nan 4.640 nan 0.000 0.196 190 D C 2.326 178.598 176.300 -0.047 0.000 0.992 190 D CA 3.639 57.580 54.000 -0.099 0.000 0.833 190 D CB -0.108 40.621 40.800 -0.119 0.000 0.954 190 D HN 0.282 8.508 8.370 -0.239 0.000 0.455 191 G N -1.788 106.967 108.800 -0.076 0.000 2.448 191 G HA2 -0.199 nan 3.960 nan 0.000 0.219 191 G HA3 -0.199 nan 3.960 nan 0.000 0.219 191 G C 0.654 175.677 174.900 0.206 0.000 1.127 191 G CA 1.416 46.537 45.100 0.035 0.000 0.766 191 G HN -0.035 8.150 8.290 -0.175 0.000 0.552 192 F N -1.933 118.007 119.950 -0.016 0.000 2.512 192 F HA -0.075 nan 4.527 nan 0.000 0.296 192 F C 0.437 176.182 175.800 -0.092 0.000 1.110 192 F CA -0.207 57.759 58.000 -0.057 0.000 1.446 192 F CB 0.863 39.807 39.000 -0.092 0.000 1.092 192 F HN -0.666 7.520 8.300 0.047 0.142 0.554 193 I N -9.230 111.402 120.570 0.103 0.000 4.439 193 I HA 0.155 nan 4.170 nan 0.000 0.331 193 I C -0.121 175.973 176.117 -0.039 0.000 1.345 193 I CA -0.487 60.804 61.300 -0.015 0.000 1.193 193 I CB 2.128 40.111 38.000 -0.028 0.000 1.221 193 I HN -0.788 7.370 8.210 0.100 0.112 0.429 194 S N 3.567 119.260 115.700 -0.013 0.000 2.488 194 S HA 0.247 nan 4.470 nan 0.000 0.310 194 S C -1.238 173.351 174.600 -0.018 0.000 1.093 194 S CA -0.292 57.892 58.200 -0.026 0.000 1.129 194 S CB -0.303 62.870 63.200 -0.045 0.000 0.989 194 S HN -0.070 8.247 8.310 0.011 0.000 0.479 195 G N 3.725 112.518 108.800 -0.012 0.000 2.356 195 G HA2 -0.211 nan 3.960 nan 0.000 0.288 195 G HA3 -0.211 nan 3.960 nan 0.000 0.288 195 G C -2.428 172.480 174.900 0.015 0.000 1.302 195 G CA -0.033 45.069 45.100 0.004 0.000 0.887 195 G HN -0.683 7.597 8.290 -0.017 0.000 0.521 196 D N 0.480 120.901 120.400 0.035 0.000 2.525 196 D HA -0.133 nan 4.640 nan 0.000 0.235 196 D C 1.052 177.374 176.300 0.037 0.000 1.137 196 D CA 0.423 54.459 54.000 0.061 0.000 0.868 196 D CB 0.583 41.449 40.800 0.111 0.000 1.180 196 D HN 0.005 8.397 8.370 0.037 0.000 0.465 197 A N 6.469 129.297 122.820 0.013 0.000 1.948 197 A HA -0.332 nan 4.320 nan 0.000 0.220 197 A C 2.021 179.563 177.584 -0.071 0.000 1.177 197 A CA 3.174 55.169 52.037 -0.069 0.000 0.636 197 A CB -0.137 18.809 19.000 -0.091 0.000 0.815 197 A HN 0.496 8.674 8.150 0.047 0.000 0.449 198 V N -1.848 118.043 119.914 -0.037 0.000 2.548 198 V HA -0.418 nan 4.120 nan 0.000 0.249 198 V C 1.787 177.851 176.094 -0.050 0.000 1.055 198 V CA 4.367 66.582 62.300 -0.141 0.000 1.065 198 V CB -0.860 30.661 31.823 -0.502 0.000 0.681 198 V HN 0.095 8.599 8.190 0.043 -0.288 0.462 199 E N 0.226 120.452 120.200 0.044 0.000 2.072 199 E HA -0.329 nan 4.350 nan 0.000 0.191 199 E C 1.875 178.523 176.600 0.080 0.000 0.985 199 E CA 3.357 59.813 56.400 0.093 0.000 0.801 199 E CB -0.043 29.727 29.700 0.117 0.000 0.750 199 E HN -0.400 7.885 8.360 0.072 0.118 0.452 200 C N -0.005 119.317 119.300 0.036 0.000 2.429 200 C HA -0.255 nan 4.460 nan 0.000 0.277 200 C C 2.340 177.322 174.990 -0.014 0.000 1.262 200 C CA 4.280 63.314 59.018 0.027 0.000 1.733 200 C CB -2.080 25.634 27.740 -0.043 0.000 2.010 200 C HN 0.302 8.541 8.230 0.015 0.000 0.483 201 S N -0.140 115.521 115.700 -0.064 0.000 2.370 201 S HA -0.277 nan 4.470 nan 0.000 0.226 201 S C 2.195 176.805 174.600 0.016 0.000 1.033 201 S CA 3.999 62.152 58.200 -0.078 0.000 1.011 201 S CB -0.333 62.813 63.200 -0.089 0.000 0.852 201 S HN 0.189 8.277 8.310 -0.075 0.177 0.457 202 V N 2.608 122.564 119.914 0.070 0.000 2.427 202 V HA -0.379 nan 4.120 nan 0.000 0.248 202 V C 1.858 178.077 176.094 0.209 0.000 1.051 202 V CA 4.347 66.744 62.300 0.161 0.000 1.048 202 V CB -0.772 31.159 31.823 0.179 0.000 0.666 202 V HN -0.002 8.134 8.190 0.046 0.081 0.456 203 N N -0.428 118.394 118.700 0.204 0.000 2.084 203 N HA -0.236 nan 4.740 nan 0.000 0.190 203 N C 2.378 178.078 175.510 0.318 0.000 1.030 203 N CA 3.393 56.625 53.050 0.304 0.000 0.849 203 N CB -0.058 38.640 38.487 0.352 0.000 1.012 203 N HN -0.279 8.127 8.380 0.166 0.073 0.423 204 L N 0.081 121.322 121.223 0.031 0.000 1.993 204 L HA -0.191 nan 4.340 nan 0.000 0.206 204 L C 1.589 178.336 176.870 -0.205 0.000 1.074 204 L CA 3.687 58.265 54.840 -0.437 0.000 0.746 204 L CB 0.027 41.599 42.059 -0.812 0.000 0.896 204 L HN 0.378 8.618 8.230 0.016 0.000 0.435 205 Q N -2.241 117.505 119.800 -0.090 0.000 2.134 205 Q HA -0.142 nan 4.340 nan 0.000 0.195 205 Q C 2.982 179.055 176.000 0.122 0.000 0.958 205 Q CA 3.258 59.069 55.803 0.012 0.000 0.840 205 Q CB 0.197 28.974 28.738 0.066 0.000 0.918 205 Q HN 0.001 8.122 8.270 -0.085 0.098 0.467 206 L N -0.667 120.693 121.223 0.228 0.000 2.056 206 L HA -0.227 nan 4.340 nan 0.000 0.207 206 L C 1.636 178.788 176.870 0.471 0.000 1.078 206 L CA 3.296 58.393 54.840 0.427 0.000 0.749 206 L CB 0.025 42.342 42.059 0.429 0.000 0.901 206 L HN -0.506 7.833 8.230 0.182 0.000 0.433 207 V N -3.375 116.722 119.914 0.305 0.000 2.602 207 V HA 0.058 nan 4.120 nan 0.000 0.235 207 V C 2.064 178.194 176.094 0.059 0.000 1.087 207 V CA 3.562 65.925 62.300 0.105 0.000 1.117 207 V CB -0.115 31.830 31.823 0.203 0.000 0.820 207 V HN 0.512 8.866 8.190 0.273 0.000 0.490 208 G N 0.143 109.106 108.800 0.271 0.000 2.631 208 G HA2 -0.419 nan 3.960 nan 0.000 0.219 208 G HA3 -0.419 nan 3.960 nan 0.000 0.219 208 G C 1.121 176.145 174.900 0.207 0.000 1.214 208 G CA 2.803 48.162 45.100 0.432 0.000 0.785 208 G HN 0.208 8.572 8.290 0.300 0.106 0.596 209 E N 1.810 122.027 120.200 0.028 0.000 2.060 209 E HA -0.159 nan 4.350 nan 0.000 0.189 209 E C 2.469 178.952 176.600 -0.195 0.000 0.974 209 E CA 2.655 59.015 56.400 -0.067 0.000 0.808 209 E CB 0.104 29.764 29.700 -0.067 0.000 0.768 209 E HN 0.192 8.462 8.360 0.015 0.099 0.453 210 A N -0.952 121.707 122.820 -0.269 0.000 1.930 210 A HA -0.173 nan 4.320 nan 0.000 0.217 210 A C 1.437 178.766 177.584 -0.425 0.000 1.175 210 A CA 2.768 54.492 52.037 -0.522 0.000 0.627 210 A CB -0.406 18.018 19.000 -0.959 0.000 0.815 210 A HN -0.272 7.776 8.150 -0.170 0.000 0.443 211 C N -3.460 115.529 119.300 -0.519 0.000 2.541 211 C HA 0.113 nan 4.460 nan 0.000 0.284 211 C C 0.736 175.226 174.990 -0.833 0.000 1.341 211 C CA 1.385 59.883 59.018 -0.868 0.000 1.732 211 C CB 0.235 26.990 27.740 -1.642 0.000 2.126 211 C HN -0.094 7.776 8.230 -0.431 0.102 0.505 212 F N -2.903 116.872 119.950 -0.293 0.000 2.390 212 F HA 0.094 nan 4.527 nan 0.000 0.281 212 F C 1.746 177.343 175.800 -0.339 0.000 1.016 212 F CA 2.094 59.922 58.000 -0.287 0.000 1.286 212 F CB 0.592 39.381 39.000 -0.352 0.000 1.134 212 F HN -0.745 7.391 8.300 -0.272 0.000 0.597 213 T N 2.498 117.053 114.554 0.002 0.000 2.684 213 T HA -0.486 nan 4.350 nan 0.000 0.267 213 T C 1.978 176.564 174.700 -0.189 0.000 1.036 213 T CA 5.120 67.193 62.100 -0.045 0.000 1.148 213 T CB -0.677 68.207 68.868 0.026 0.000 0.863 213 T HN 0.518 8.715 8.240 0.108 0.108 0.436 214 N N 0.922 119.474 118.700 -0.247 0.000 2.025 214 N HA -0.150 nan 4.740 nan 0.000 0.194 214 N C -0.522 174.779 175.510 -0.348 0.000 1.044 214 N CA 4.686 57.569 53.050 -0.278 0.000 0.851 214 N CB -0.973 37.343 38.487 -0.284 0.000 1.036 214 N HN -0.170 8.069 8.380 -0.236 0.000 0.422 215 P HA -0.117 nan 4.420 nan 0.000 0.219 215 P C 1.222 178.138 177.300 -0.640 0.000 1.150 215 P CA 1.996 64.616 63.100 -0.800 0.000 0.814 215 P CB -0.191 30.438 31.700 -1.784 0.000 0.787 216 L N -0.867 119.989 121.223 -0.611 0.000 2.046 216 L HA -0.314 nan 4.340 nan 0.000 0.208 216 L C 1.768 178.726 176.870 0.147 0.000 1.077 216 L CA 3.426 58.252 54.840 -0.024 0.000 0.747 216 L CB -0.198 41.898 42.059 0.063 0.000 0.896 216 L HN 0.051 7.864 8.230 -0.694 0.000 0.432 217 I N -1.814 118.739 120.570 -0.029 0.000 2.163 217 I HA -0.480 nan 4.170 nan 0.000 0.243 217 I C 2.331 178.543 176.117 0.159 0.000 1.085 217 I CA 3.077 64.356 61.300 -0.034 0.000 1.347 217 I CB -1.618 36.227 38.000 -0.257 0.000 1.044 217 I HN 0.005 8.131 8.210 -0.140 0.000 0.408 218 V N -0.493 119.468 119.914 0.079 0.000 2.295 218 V HA -0.429 nan 4.120 nan 0.000 0.246 218 V C 2.195 178.430 176.094 0.235 0.000 1.049 218 V CA 4.617 66.991 62.300 0.123 0.000 1.024 218 V CB -1.235 30.614 31.823 0.044 0.000 0.648 218 V HN -0.702 7.473 8.190 -0.024 0.000 0.447 219 A N -0.598 122.420 122.820 0.329 0.000 1.902 219 A HA -0.311 nan 4.320 nan 0.000 0.217 219 A C 1.812 179.704 177.584 0.514 0.000 1.181 219 A CA 3.551 55.865 52.037 0.462 0.000 0.623 219 A CB -0.875 18.543 19.000 0.697 0.000 0.818 219 A HN 0.141 8.456 8.150 0.275 0.000 0.443 220 V N -2.817 117.459 119.914 0.603 0.000 2.392 220 V HA -0.479 nan 4.120 nan 0.000 0.249 220 V C 1.843 178.241 176.094 0.506 0.000 1.059 220 V CA 4.827 67.553 62.300 0.712 0.000 1.051 220 V CB -1.205 31.097 31.823 0.798 0.000 0.658 220 V HN 0.435 8.970 8.190 0.575 0.000 0.455 221 T N -2.931 111.852 114.554 0.381 0.000 2.867 221 T HA -0.330 nan 4.350 nan 0.000 0.268 221 T C 1.861 176.622 174.700 0.103 0.000 1.057 221 T CA 4.296 66.529 62.100 0.221 0.000 1.136 221 T CB -0.566 68.410 68.868 0.179 0.000 0.874 221 T HN -0.366 8.012 8.240 0.402 0.102 0.466 222 E N 2.545 122.810 120.200 0.108 0.000 2.047 222 E HA -0.308 nan 4.350 nan 0.000 0.191 222 E C 2.110 178.598 176.600 -0.185 0.000 0.987 222 E CA 2.930 59.302 56.400 -0.047 0.000 0.799 222 E CB -0.370 29.294 29.700 -0.060 0.000 0.752 222 E HN -0.772 7.607 8.360 0.194 0.097 0.449 223 W N -1.009 120.116 121.300 -0.291 0.000 2.363 223 W HA -0.303 nan 4.660 nan 0.000 0.296 223 W C 2.144 178.099 176.519 -0.940 0.000 1.212 223 W CA 3.789 60.797 57.345 -0.561 0.000 1.260 223 W CB -0.368 28.755 29.460 -0.563 0.000 1.131 223 W HN -0.042 8.318 8.180 0.299 0.000 0.530 224 A N -1.810 120.689 122.820 -0.534 0.000 1.858 224 A HA -0.402 nan 4.320 nan 0.000 0.216 224 A C 2.033 179.407 177.584 -0.350 0.000 1.190 224 A CA 3.258 54.939 52.037 -0.593 0.000 0.617 224 A CB -0.836 18.245 19.000 0.134 0.000 0.827 224 A HN 0.381 8.349 8.150 -0.113 0.115 0.443 225 S N -0.849 114.737 115.700 -0.190 0.000 2.382 225 S HA -0.322 nan 4.470 nan 0.000 0.228 225 S C 2.439 176.918 174.600 -0.202 0.000 1.027 225 S CA 3.292 61.404 58.200 -0.147 0.000 0.991 225 S CB -0.264 62.872 63.200 -0.106 0.000 0.823 225 S HN -0.182 8.044 8.310 -0.140 0.000 0.469 226 A N 2.696 125.353 122.820 -0.272 0.000 1.986 226 A HA -0.209 nan 4.320 nan 0.000 0.220 226 A C 1.311 178.748 177.584 -0.246 0.000 1.171 226 A CA 2.597 54.453 52.037 -0.301 0.000 0.640 226 A CB -0.622 18.162 19.000 -0.360 0.000 0.811 226 A HN -0.047 7.929 8.150 -0.291 0.000 0.451 227 N N -3.696 114.887 118.700 -0.195 0.000 2.276 227 N HA 0.099 nan 4.740 nan 0.000 0.212 227 N C -0.412 175.171 175.510 0.123 0.000 1.127 227 N CA 0.047 53.126 53.050 0.047 0.000 0.834 227 N CB 0.599 39.068 38.487 -0.029 0.000 1.014 227 N HN -0.569 7.474 8.380 -0.350 0.127 0.491 228 G N -1.249 107.555 108.800 0.007 0.000 2.179 228 G HA2 -0.483 nan 3.960 nan 0.000 0.260 228 G HA3 -0.483 nan 3.960 nan 0.000 0.260 228 G C -1.309 173.652 174.900 0.101 0.000 0.977 228 G CA 0.375 45.512 45.100 0.062 0.000 0.641 228 G HN 0.057 8.096 8.290 -0.094 0.195 0.533 229 D N 1.409 121.873 120.400 0.106 0.000 2.380 229 D HA 0.090 nan 4.640 nan 0.000 0.230 229 D C -0.734 175.611 176.300 0.074 0.000 1.154 229 D CA -0.911 53.198 54.000 0.181 0.000 0.859 229 D CB 0.472 41.529 40.800 0.428 0.000 1.045 229 D HN -0.161 8.170 8.370 0.018 0.050 0.495 230 E N 2.735 122.951 120.200 0.026 0.000 2.481 230 E HA 0.087 nan 4.350 nan 0.000 0.198 230 E C 1.428 177.994 176.600 -0.057 0.000 1.027 230 E CA -0.250 56.138 56.400 -0.020 0.000 0.900 230 E CB 0.478 30.157 29.700 -0.034 0.000 0.993 230 E HN 0.200 8.576 8.360 0.026 0.000 0.482 231 I N 1.068 121.596 120.570 -0.070 0.000 2.133 231 I HA -0.466 nan 4.170 nan 0.000 0.238 231 I C 1.396 177.459 176.117 -0.089 0.000 1.074 231 I CA 4.568 65.775 61.300 -0.155 0.000 1.342 231 I CB -0.247 37.629 38.000 -0.207 0.000 1.053 231 I HN -0.098 8.177 8.210 -0.029 -0.083 0.404 232 T N 1.604 116.147 114.554 -0.019 0.000 2.684 232 T HA -0.106 nan 4.350 nan 0.000 0.267 232 T C -0.846 173.775 174.700 -0.131 0.000 1.036 232 T CA 6.375 68.382 62.100 -0.155 0.000 1.148 232 T CB -2.526 66.303 68.868 -0.066 0.000 0.863 232 T HN -0.114 8.531 8.240 0.081 -0.356 0.436 233 P HA -0.104 nan 4.420 nan 0.000 0.218 233 P C 1.633 178.933 177.300 0.001 0.000 1.149 233 P CA 3.385 66.499 63.100 0.022 0.000 0.817 233 P CB -0.430 31.276 31.700 0.009 0.000 0.785 234 T N 0.821 115.347 114.554 -0.047 0.000 2.746 234 T HA -0.218 nan 4.350 nan 0.000 0.267 234 T C 2.190 176.849 174.700 -0.068 0.000 1.039 234 T CA 4.359 66.415 62.100 -0.073 0.000 1.142 234 T CB -0.286 68.511 68.868 -0.118 0.000 0.866 234 T HN -0.389 7.715 8.240 -0.063 0.098 0.444 235 V N 1.419 121.306 119.914 -0.045 0.000 2.302 235 V HA -0.185 nan 4.120 nan 0.000 0.243 235 V C 1.768 177.986 176.094 0.207 0.000 1.036 235 V CA 4.042 66.355 62.300 0.021 0.000 1.020 235 V CB -0.587 31.272 31.823 0.060 0.000 0.657 235 V HN -0.551 7.598 8.190 -0.067 0.000 0.453 236 F N -1.036 118.910 119.950 -0.007 0.000 2.171 236 F HA -0.233 nan 4.527 nan 0.000 0.300 236 F C 2.090 177.860 175.800 -0.050 0.000 1.090 236 F CA 1.053 59.043 58.000 -0.017 0.000 1.293 236 F CB -1.154 37.877 39.000 0.051 0.000 1.013 236 F HN 0.183 8.585 8.300 0.169 0.000 0.486 237 L N -2.734 118.579 121.223 0.150 0.000 2.191 237 L HA -0.398 nan 4.340 nan 0.000 0.212 237 L C 2.159 179.023 176.870 -0.010 0.000 1.103 237 L CA 2.915 57.783 54.840 0.047 0.000 0.769 237 L CB -0.615 41.456 42.059 0.021 0.000 0.908 237 L HN -0.187 8.131 8.230 0.147 0.000 0.438 238 S N -0.613 115.079 115.700 -0.014 0.000 2.377 238 S HA -0.150 nan 4.470 nan 0.000 0.223 238 S C 2.585 177.142 174.600 -0.072 0.000 1.030 238 S CA 3.314 61.481 58.200 -0.055 0.000 0.970 238 S CB -0.008 63.141 63.200 -0.084 0.000 0.830 238 S HN -0.488 7.702 8.310 0.018 0.130 0.473 239 V N 3.686 123.537 119.914 -0.105 0.000 2.332 239 V HA -0.358 nan 4.120 nan 0.000 0.248 239 V C 1.878 177.800 176.094 -0.288 0.000 1.055 239 V CA 4.160 66.265 62.300 -0.325 0.000 1.038 239 V CB -0.758 30.743 31.823 -0.537 0.000 0.651 239 V HN -0.091 8.003 8.190 -0.031 0.077 0.450 240 E N -1.724 118.355 120.200 -0.201 0.000 2.130 240 E HA -0.334 nan 4.350 nan 0.000 0.196 240 E C 2.521 179.029 176.600 -0.154 0.000 0.998 240 E CA 3.240 59.537 56.400 -0.172 0.000 0.806 240 E CB -0.268 29.369 29.700 -0.105 0.000 0.738 240 E HN 0.210 8.483 8.360 -0.145 0.000 0.459 241 T N -4.944 109.536 114.554 -0.123 0.000 3.051 241 T HA -0.135 nan 4.350 nan 0.000 0.269 241 T C 1.726 176.331 174.700 -0.158 0.000 1.127 241 T CA 2.468 64.495 62.100 -0.121 0.000 1.107 241 T CB -0.638 68.172 68.868 -0.097 0.000 0.898 241 T HN -0.433 7.619 8.240 -0.108 0.124 0.517 242 D N 0.701 121.004 120.400 -0.161 0.000 2.366 242 D HA 0.140 nan 4.640 nan 0.000 0.205 242 D C 1.507 177.517 176.300 -0.484 0.000 1.022 242 D CA 1.871 55.739 54.000 -0.219 0.000 0.868 242 D CB -0.165 40.620 40.800 -0.024 0.000 0.953 242 D HN 0.006 8.127 8.370 -0.136 0.167 0.514 243 E N 2.032 121.981 120.200 -0.419 0.000 2.204 243 E HA -0.228 nan 4.350 nan 0.000 0.195 243 E C 1.448 177.857 176.600 -0.318 0.000 0.990 243 E CA 2.239 58.355 56.400 -0.474 0.000 0.821 243 E CB -0.359 29.169 29.700 -0.285 0.000 0.750 243 E HN -0.624 7.451 8.360 -0.288 0.113 0.477 244 L N -1.279 119.803 121.223 -0.235 0.000 2.042 244 L HA -0.351 nan 4.340 nan 0.000 0.210 244 L C 1.735 178.584 176.870 -0.035 0.000 1.076 244 L CA 3.201 57.981 54.840 -0.100 0.000 0.749 244 L CB -0.269 41.737 42.059 -0.088 0.000 0.893 244 L HN -0.036 8.005 8.230 -0.256 0.035 0.432 245 R N -3.045 117.323 120.500 -0.220 0.000 2.105 245 R HA -0.415 nan 4.340 nan 0.000 0.239 245 R C 2.452 178.901 176.300 0.250 0.000 1.135 245 R CA 3.546 59.595 56.100 -0.084 0.000 0.967 245 R CB -0.451 29.757 30.300 -0.152 0.000 0.861 245 R HN -0.379 7.671 8.270 -0.366 0.000 0.442 246 H N -0.425 118.643 119.070 -0.003 0.000 2.395 246 H HA -0.178 nan 4.556 nan 0.000 0.299 246 H C 2.584 177.955 175.328 0.071 0.000 1.070 246 H CA 1.955 58.016 56.048 0.021 0.000 1.356 246 H CB 0.076 29.819 29.762 -0.031 0.000 1.401 246 H HN -0.591 7.562 8.280 0.014 0.135 0.524 247 M N -0.746 118.969 119.600 0.192 0.000 2.175 247 M HA -0.394 nan 4.480 nan 0.000 0.264 247 M C 1.808 178.372 176.300 0.439 0.000 1.063 247 M CA 3.713 59.127 55.300 0.190 0.000 1.119 247 M CB 0.115 32.691 32.600 -0.041 0.000 1.377 247 M HN -0.270 8.014 8.290 0.127 0.081 0.415 248 A N -0.576 122.465 122.820 0.370 0.000 1.940 248 A HA -0.402 nan 4.320 nan 0.000 0.219 248 A C 1.771 179.531 177.584 0.294 0.000 1.176 248 A CA 3.477 55.724 52.037 0.349 0.000 0.631 248 A CB -1.019 18.224 19.000 0.405 0.000 0.814 248 A HN 0.547 8.884 8.150 0.312 0.000 0.446 249 N N -1.517 117.328 118.700 0.243 0.000 2.166 249 N HA -0.277 nan 4.740 nan 0.000 0.186 249 N C 2.588 178.240 175.510 0.236 0.000 1.019 249 N CA 2.723 55.872 53.050 0.166 0.000 0.856 249 N CB -0.364 38.242 38.487 0.199 0.000 0.993 249 N HN -0.096 8.351 8.380 0.258 0.087 0.426 250 G N -0.221 108.755 108.800 0.294 0.000 2.402 250 G HA2 -0.289 nan 3.960 nan 0.000 0.216 250 G HA3 -0.289 nan 3.960 nan 0.000 0.216 250 G C 0.865 175.921 174.900 0.259 0.000 1.162 250 G CA 1.868 47.146 45.100 0.297 0.000 0.777 250 G HN -0.313 8.057 8.290 0.313 0.107 0.539 251 Y N 3.038 123.456 120.300 0.196 0.000 2.128 251 Y HA -0.424 nan 4.550 nan 0.000 0.284 251 Y C 1.899 177.741 175.900 -0.097 0.000 1.154 251 Y CA 3.944 62.046 58.100 0.004 0.000 1.149 251 Y CB 0.270 38.714 38.460 -0.027 0.000 0.976 251 Y HN -0.251 8.352 8.280 0.538 0.000 0.505 252 Q N -3.025 116.818 119.800 0.072 0.000 2.170 252 Q HA -0.327 nan 4.340 nan 0.000 0.203 252 Q C 2.961 178.885 176.000 -0.127 0.000 0.976 252 Q CA 2.727 58.488 55.803 -0.070 0.000 0.858 252 Q CB -0.834 27.868 28.738 -0.059 0.000 0.907 252 Q HN 0.268 8.664 8.270 0.211 0.000 0.433 253 T N 3.815 118.351 114.554 -0.030 0.000 2.684 253 T HA -0.298 nan 4.350 nan 0.000 0.267 253 T C 2.081 176.686 174.700 -0.158 0.000 1.036 253 T CA 4.856 66.950 62.100 -0.009 0.000 1.148 253 T CB -0.406 68.497 68.868 0.057 0.000 0.863 253 T HN -0.157 8.012 8.240 0.047 0.099 0.436 254 V N 1.482 121.250 119.914 -0.243 0.000 2.295 254 V HA -0.340 nan 4.120 nan 0.000 0.246 254 V C 1.661 177.457 176.094 -0.496 0.000 1.049 254 V CA 4.451 66.541 62.300 -0.350 0.000 1.024 254 V CB -0.765 30.806 31.823 -0.420 0.000 0.648 254 V HN -0.449 7.616 8.190 -0.207 0.000 0.447 255 V N -1.280 118.210 119.914 -0.706 0.000 2.332 255 V HA -0.470 nan 4.120 nan 0.000 0.248 255 V C 2.407 178.294 176.094 -0.344 0.000 1.055 255 V CA 4.190 66.052 62.300 -0.730 0.000 1.038 255 V CB -0.926 30.525 31.823 -0.621 0.000 0.651 255 V HN -0.049 7.708 8.190 -0.722 0.000 0.450 256 S N -0.150 115.403 115.700 -0.246 0.000 2.419 256 S HA -0.258 nan 4.470 nan 0.000 0.233 256 S C 1.575 176.101 174.600 -0.123 0.000 1.016 256 S CA 3.438 61.545 58.200 -0.155 0.000 0.974 256 S CB 0.017 63.144 63.200 -0.121 0.000 0.786 256 S HN 0.393 8.439 8.310 -0.254 0.112 0.492 257 I N -5.988 114.511 120.570 -0.119 0.000 4.018 257 I HA 0.403 nan 4.170 nan 0.000 0.337 257 I C 0.778 176.903 176.117 0.013 0.000 1.327 257 I CA -0.874 60.407 61.300 -0.032 0.000 1.100 257 I CB -0.335 37.647 38.000 -0.030 0.000 1.025 257 I HN -0.621 7.359 8.210 -0.169 0.128 0.396 258 A N 2.473 125.270 122.820 -0.040 0.000 1.978 258 A HA -0.309 nan 4.320 nan 0.000 0.220 258 A C 1.046 178.672 177.584 0.069 0.000 1.170 258 A CA 2.909 54.965 52.037 0.030 0.000 0.636 258 A CB -0.717 18.321 19.000 0.063 0.000 0.810 258 A HN -0.245 7.669 8.150 -0.121 0.164 0.448 259 N N -4.297 114.437 118.700 0.056 0.000 2.268 259 N HA 0.053 nan 4.740 nan 0.000 0.204 259 N C -1.333 174.223 175.510 0.076 0.000 1.124 259 N CA -0.367 52.720 53.050 0.062 0.000 0.838 259 N CB 0.720 39.239 38.487 0.052 0.000 0.994 259 N HN 0.052 8.418 8.380 0.032 0.034 0.489 260 D N 1.568 122.028 120.400 0.100 0.000 2.274 260 D HA 0.380 nan 4.640 nan 0.000 0.239 260 D C -0.713 175.650 176.300 0.106 0.000 1.104 260 D CA -3.323 50.754 54.000 0.129 0.000 0.840 260 D CB 1.472 42.387 40.800 0.193 0.000 1.100 260 D HN -0.338 7.906 8.370 0.099 0.186 0.477 261 P HA -0.155 nan 4.420 nan 0.000 0.221 261 P C 0.451 177.750 177.300 -0.001 0.000 1.145 261 P CA 1.567 64.681 63.100 0.024 0.000 0.795 261 P CB 0.168 31.869 31.700 0.002 0.000 0.775 262 A N -2.133 120.714 122.820 0.045 0.000 1.972 262 A HA -0.273 nan 4.320 nan 0.000 0.219 262 A C 2.094 179.746 177.584 0.114 0.000 1.169 262 A CA 2.964 55.022 52.037 0.034 0.000 0.635 262 A CB -0.686 18.383 19.000 0.114 0.000 0.810 262 A HN -0.108 8.369 8.150 0.084 -0.277 0.446 263 S N -1.973 113.882 115.700 0.258 0.000 2.402 263 S HA -0.277 nan 4.470 nan 0.000 0.229 263 S C 2.044 176.748 174.600 0.172 0.000 1.021 263 S CA 3.347 61.764 58.200 0.362 0.000 0.974 263 S CB -0.499 62.874 63.200 0.288 0.000 0.800 263 S HN -0.007 8.322 8.310 0.232 0.120 0.484 264 A N 2.707 125.561 122.820 0.056 0.000 1.930 264 A HA -0.162 nan 4.320 nan 0.000 0.217 264 A C 1.153 178.695 177.584 -0.069 0.000 1.175 264 A CA 2.450 54.488 52.037 0.000 0.000 0.627 264 A CB -0.532 18.454 19.000 -0.024 0.000 0.815 264 A HN -0.507 7.570 8.150 0.051 0.103 0.443 265 K N -3.455 116.810 120.400 -0.225 0.000 2.167 265 K HA -0.097 nan 4.320 nan 0.000 0.203 265 K C 1.481 177.844 176.600 -0.394 0.000 1.052 265 K CA 2.648 58.646 56.287 -0.481 0.000 0.956 265 K CB 0.540 32.402 32.500 -1.063 0.000 0.735 265 K HN -0.687 7.320 8.250 -0.223 0.108 0.451 266 F N -5.517 114.477 119.950 0.073 0.000 2.747 266 F HA 0.210 nan 4.527 nan 0.000 0.305 266 F C 0.828 176.777 175.800 0.248 0.000 1.065 266 F CA 0.218 58.286 58.000 0.113 0.000 1.230 266 F CB 1.102 40.082 39.000 -0.032 0.000 1.027 266 F HN -0.186 8.023 8.300 0.002 0.093 0.607 267 L N 1.501 123.017 121.223 0.489 0.000 2.013 267 L HA -0.472 nan 4.340 nan 0.000 0.212 267 L C 1.084 178.105 176.870 0.252 0.000 1.073 267 L CA 4.003 59.063 54.840 0.368 0.000 0.753 267 L CB -0.329 41.873 42.059 0.237 0.000 0.890 267 L HN -0.148 8.230 8.230 0.429 0.110 0.432 268 N N -2.800 116.022 118.700 0.202 0.000 2.289 268 N HA -0.269 nan 4.740 nan 0.000 0.184 268 N C 2.316 177.943 175.510 0.196 0.000 1.016 268 N CA 3.131 56.282 53.050 0.169 0.000 0.872 268 N CB -0.438 38.122 38.487 0.122 0.000 0.973 268 N HN 0.421 8.916 8.380 0.191 0.000 0.433 269 T N 3.788 118.478 114.554 0.227 0.000 2.812 269 T HA -0.161 nan 4.350 nan 0.000 0.264 269 T C 1.722 176.569 174.700 0.245 0.000 1.042 269 T CA 4.747 66.987 62.100 0.235 0.000 1.140 269 T CB -0.321 68.697 68.868 0.251 0.000 0.870 269 T HN -0.542 7.829 8.240 0.247 0.017 0.445 270 D N 2.361 122.922 120.400 0.268 0.000 2.117 270 D HA -0.168 nan 4.640 nan 0.000 0.198 270 D C 2.041 178.488 176.300 0.246 0.000 0.982 270 D CA 3.484 57.633 54.000 0.250 0.000 0.828 270 D CB -0.300 40.660 40.800 0.266 0.000 0.967 270 D HN -0.337 8.216 8.370 0.305 0.000 0.464 271 L N -0.112 121.257 121.223 0.245 0.000 2.017 271 L HA -0.314 nan 4.340 nan 0.000 0.208 271 L C 1.217 178.287 176.870 0.332 0.000 1.073 271 L CA 3.237 58.245 54.840 0.280 0.000 0.745 271 L CB -0.157 42.051 42.059 0.248 0.000 0.894 271 L HN 0.335 8.705 8.230 0.234 0.000 0.432 272 N N -1.283 117.583 118.700 0.276 0.000 2.120 272 N HA -0.412 nan 4.740 nan 0.000 0.188 272 N C 2.081 177.778 175.510 0.312 0.000 1.024 272 N CA 3.595 56.808 53.050 0.271 0.000 0.852 272 N CB -0.173 38.403 38.487 0.148 0.000 1.003 272 N HN 0.004 8.420 8.380 0.238 0.106 0.424 273 N N 0.610 119.482 118.700 0.286 0.000 2.166 273 N HA -0.355 nan 4.740 nan 0.000 0.186 273 N C 1.823 177.524 175.510 0.319 0.000 1.019 273 N CA 3.194 56.426 53.050 0.304 0.000 0.856 273 N CB 0.124 38.772 38.487 0.267 0.000 0.993 273 N HN -0.034 8.505 8.380 0.265 0.000 0.426 274 A N 0.387 123.390 122.820 0.306 0.000 1.873 274 A HA -0.223 nan 4.320 nan 0.000 0.215 274 A C 1.525 179.279 177.584 0.284 0.000 1.186 274 A CA 3.037 55.245 52.037 0.285 0.000 0.616 274 A CB -0.717 18.456 19.000 0.288 0.000 0.823 274 A HN -0.115 8.217 8.150 0.302 0.000 0.442 275 F N 0.081 120.177 119.950 0.242 0.000 2.095 275 F HA -0.394 nan 4.527 nan 0.000 0.298 275 F C 0.678 176.597 175.800 0.199 0.000 1.104 275 F CA 3.398 61.517 58.000 0.198 0.000 1.232 275 F CB 0.257 39.401 39.000 0.241 0.000 0.987 275 F HN 0.147 8.751 8.300 0.506 0.000 0.475 276 W N -1.364 119.876 121.300 -0.099 0.000 2.335 276 W HA -0.502 nan 4.660 nan 0.000 0.311 276 W C 1.686 178.123 176.519 -0.136 0.000 1.213 276 W CA 3.697 60.924 57.345 -0.196 0.000 1.274 276 W CB 0.298 29.721 29.460 -0.062 0.000 1.148 276 W HN 0.199 8.662 8.180 0.473 0.000 0.498 277 T N 1.946 116.521 114.554 0.035 0.000 2.635 277 T HA -0.518 nan 4.350 nan 0.000 0.267 277 T C 2.534 177.133 174.700 -0.167 0.000 1.040 277 T CA 5.281 67.370 62.100 -0.019 0.000 1.156 277 T CB -0.582 68.351 68.868 0.109 0.000 0.863 277 T HN -0.253 8.050 8.240 0.216 0.066 0.430 278 Q N 0.141 119.886 119.800 -0.092 0.000 2.050 278 Q HA -0.298 nan 4.340 nan 0.000 0.202 278 Q C 2.310 178.190 176.000 -0.200 0.000 0.980 278 Q CA 2.909 58.702 55.803 -0.017 0.000 0.840 278 Q CB -0.484 28.434 28.738 0.300 0.000 0.898 278 Q HN 0.017 8.275 8.270 -0.020 0.000 0.424 279 Q N -0.269 119.342 119.800 -0.314 0.000 2.170 279 Q HA -0.301 nan 4.340 nan 0.000 0.203 279 Q C 2.276 178.052 176.000 -0.373 0.000 0.976 279 Q CA 2.737 58.380 55.803 -0.266 0.000 0.858 279 Q CB -0.972 27.501 28.738 -0.442 0.000 0.907 279 Q HN 0.095 8.080 8.270 -0.475 0.000 0.433 280 K N 0.182 120.223 120.400 -0.599 0.000 2.152 280 K HA -0.284 nan 4.320 nan 0.000 0.206 280 K C 1.236 177.665 176.600 -0.286 0.000 1.048 280 K CA 2.462 58.440 56.287 -0.515 0.000 0.933 280 K CB -0.351 31.834 32.500 -0.525 0.000 0.721 280 K HN -0.263 7.550 8.250 -0.697 0.018 0.447 281 Y N -1.896 118.113 120.300 -0.485 0.000 2.301 281 Y HA -0.158 nan 4.550 nan 0.000 0.295 281 Y C 1.200 176.775 175.900 -0.542 0.000 1.126 281 Y CA 3.181 60.951 58.100 -0.551 0.000 1.154 281 Y CB 1.546 39.523 38.460 -0.804 0.000 1.075 281 Y HN -0.752 7.303 8.280 -0.346 0.017 0.534 282 F N -1.978 117.777 119.950 -0.326 0.000 2.234 282 F HA -0.267 nan 4.527 nan 0.000 0.299 282 F C 2.488 178.234 175.800 -0.090 0.000 1.087 282 F CA 3.645 61.398 58.000 -0.412 0.000 1.340 282 F CB -0.807 37.625 39.000 -0.946 0.000 1.031 282 F HN -0.070 7.861 8.300 -0.615 0.000 0.500 283 T N 1.003 115.696 114.554 0.231 0.000 2.652 283 T HA -0.117 nan 4.350 nan 0.000 0.267 283 T C -0.532 174.343 174.700 0.291 0.000 1.039 283 T CA 6.488 68.885 62.100 0.495 0.000 1.153 283 T CB -2.274 66.775 68.868 0.303 0.000 0.863 283 T HN 0.211 8.490 8.240 0.065 0.000 0.428 284 P HA 0.070 nan 4.420 nan 0.000 0.220 284 P C 1.229 178.440 177.300 -0.149 0.000 1.154 284 P CA 2.467 65.566 63.100 -0.002 0.000 0.830 284 P CB -0.252 31.421 31.700 -0.044 0.000 0.803 285 V N -0.754 118.951 119.914 -0.347 0.000 2.358 285 V HA -0.324 nan 4.120 nan 0.000 0.246 285 V C 2.285 178.160 176.094 -0.365 0.000 1.047 285 V CA 4.667 66.742 62.300 -0.375 0.000 1.035 285 V CB -0.781 30.579 31.823 -0.772 0.000 0.658 285 V HN -0.082 7.841 8.190 -0.446 0.000 0.452 286 L N -2.208 118.719 121.223 -0.493 0.000 2.027 286 L HA -0.329 nan 4.340 nan 0.000 0.206 286 L C 2.147 178.248 176.870 -1.281 0.000 1.074 286 L CA 3.320 57.640 54.840 -0.867 0.000 0.745 286 L CB -0.820 40.768 42.059 -0.785 0.000 0.898 286 L HN -0.098 7.923 8.230 -0.348 0.000 0.433 287 G N -1.762 106.027 108.800 -1.685 0.000 2.442 287 G HA2 -0.397 nan 3.960 nan 0.000 0.219 287 G HA3 -0.397 nan 3.960 nan 0.000 0.219 287 G C 0.833 175.505 174.900 -0.381 0.000 1.141 287 G CA 2.124 46.304 45.100 -1.533 0.000 0.763 287 G HN -0.348 6.991 8.290 -1.585 0.000 0.554 288 Y N 3.206 123.344 120.300 -0.270 0.000 2.145 288 Y HA -0.325 nan 4.550 nan 0.000 0.286 288 Y C 1.561 177.445 175.900 -0.028 0.000 1.145 288 Y CA 2.466 60.571 58.100 0.009 0.000 1.148 288 Y CB -0.005 38.369 38.460 -0.144 0.000 0.981 288 Y HN -0.602 7.561 8.280 -0.187 0.005 0.507 289 L N -1.799 118.967 121.223 -0.761 0.000 2.017 289 L HA -0.489 nan 4.340 nan 0.000 0.208 289 L C 2.607 179.160 176.870 -0.529 0.000 1.073 289 L CA 3.238 57.585 54.840 -0.822 0.000 0.745 289 L CB -0.295 41.312 42.059 -0.752 0.000 0.894 289 L HN -0.168 7.720 8.230 -0.570 0.000 0.432 290 F N -1.420 118.208 119.950 -0.537 0.000 2.060 290 F HA -0.408 nan 4.527 nan 0.000 0.295 290 F C 2.151 177.651 175.800 -0.500 0.000 1.120 290 F CA 2.219 59.763 58.000 -0.759 0.000 1.205 290 F CB -0.690 37.579 39.000 -1.218 0.000 0.986 290 F HN -0.017 7.810 8.300 -0.790 0.000 0.470 291 E N -2.635 117.552 120.200 -0.021 0.000 2.107 291 E HA -0.324 nan 4.350 nan 0.000 0.191 291 E C 2.530 179.122 176.600 -0.013 0.000 0.982 291 E CA 2.900 59.337 56.400 0.061 0.000 0.809 291 E CB 0.286 30.211 29.700 0.376 0.000 0.756 291 E HN -0.147 8.209 8.360 -0.008 0.000 0.459 292 Y N -4.243 116.150 120.300 0.154 0.000 2.510 292 Y HA -0.030 nan 4.550 nan 0.000 0.273 292 Y C 0.689 176.579 175.900 -0.017 0.000 1.119 292 Y CA 1.068 59.274 58.100 0.177 0.000 1.286 292 Y CB 0.455 39.086 38.460 0.284 0.000 1.061 292 Y HN -0.148 8.315 8.280 0.306 0.000 0.542 293 G N -4.330 104.454 108.800 -0.027 0.000 3.284 293 G HA2 0.039 nan 3.960 nan 0.000 0.236 293 G HA3 0.039 nan 3.960 nan 0.000 0.236 293 G C -1.828 173.157 174.900 0.142 0.000 1.158 293 G CA -0.518 44.543 45.100 -0.065 0.000 0.774 293 G HN -0.560 7.597 8.290 -0.078 0.086 0.545 294 S N -3.340 112.460 115.700 0.167 0.000 2.599 294 S HA 0.408 nan 4.470 nan 0.000 0.287 294 S C -0.856 173.680 174.600 -0.106 0.000 1.105 294 S CA -1.789 56.545 58.200 0.223 0.000 0.899 294 S CB 3.382 66.829 63.200 0.413 0.000 1.100 294 S HN -0.979 7.330 8.310 0.086 0.053 0.482 295 K N 2.316 122.512 120.400 -0.340 0.000 2.108 295 K HA 0.196 nan 4.320 nan 0.000 0.204 295 K C 0.329 176.460 176.600 -0.781 0.000 1.036 295 K CA 0.149 55.986 56.287 -0.749 0.000 0.965 295 K CB 1.122 32.761 32.500 -1.435 0.000 0.804 295 K HN 0.090 8.480 8.250 -0.227 -0.277 0.454 296 F N 0.239 120.013 119.950 -0.294 0.000 2.438 296 F HA 0.016 nan 4.527 nan 0.000 0.356 296 F C -0.319 175.225 175.800 -0.428 0.000 1.099 296 F CA 0.169 57.969 58.000 -0.333 0.000 1.185 296 F CB 0.157 38.989 39.000 -0.280 0.000 1.115 296 F HN -0.530 7.811 8.300 -0.426 -0.296 0.526 297 K N 3.406 123.531 120.400 -0.459 0.000 2.138 297 K HA 0.154 nan 4.320 nan 0.000 0.263 297 K C -1.046 175.057 176.600 -0.829 0.000 0.965 297 K CA -0.903 54.946 56.287 -0.731 0.000 0.868 297 K CB 1.193 33.047 32.500 -1.076 0.000 1.083 297 K HN 0.094 8.084 8.250 -0.434 0.000 0.443 298 V N 0.963 119.996 119.914 -1.468 0.000 2.575 298 V HA -0.013 nan 4.120 nan 0.000 0.242 298 V C 0.014 175.856 176.094 -0.419 0.000 1.045 298 V CA 1.543 63.242 62.300 -1.003 0.000 1.065 298 V CB 0.506 31.440 31.823 -1.481 0.000 0.717 298 V HN 0.218 6.757 8.190 -2.751 0.000 0.467 299 E N -3.027 117.079 120.200 -0.157 0.000 2.388 299 E HA 0.223 nan 4.350 nan 0.000 0.281 299 E C -3.003 173.896 176.600 0.497 0.000 1.046 299 E CA -2.399 54.114 56.400 0.188 0.000 0.825 299 E CB 0.805 30.558 29.700 0.088 0.000 1.243 299 E HN -0.420 7.803 8.360 -0.229 0.000 0.438 300 P HA 0.013 nan 4.420 nan 0.000 0.271 300 P C -0.588 176.968 177.300 0.427 0.000 1.216 300 P CA -0.892 62.492 63.100 0.474 0.000 0.776 300 P CB 0.529 32.211 31.700 -0.030 0.000 0.881 301 W N 5.320 126.800 121.300 0.299 0.000 2.342 301 W HA -0.398 nan 4.660 nan 0.000 0.297 301 W C 0.905 177.450 176.519 0.043 0.000 1.213 301 W CA 2.967 60.354 57.345 0.071 0.000 1.251 301 W CB 0.531 29.879 29.460 -0.187 0.000 1.136 301 W HN 0.849 9.935 8.180 0.825 -0.411 0.526 302 V N -0.030 119.922 119.914 0.064 0.000 2.392 302 V HA -0.540 nan 4.120 nan 0.000 0.249 302 V C 1.331 177.365 176.094 -0.101 0.000 1.059 302 V CA 4.418 66.662 62.300 -0.094 0.000 1.051 302 V CB -0.695 31.067 31.823 -0.102 0.000 0.658 302 V HN -0.327 8.037 8.190 0.319 0.018 0.455 303 K N -1.806 118.546 120.400 -0.080 0.000 2.062 303 K HA -0.276 nan 4.320 nan 0.000 0.205 303 K C 1.962 178.481 176.600 -0.135 0.000 1.051 303 K CA 3.464 59.712 56.287 -0.065 0.000 0.941 303 K CB -0.164 32.312 32.500 -0.039 0.000 0.719 303 K HN -0.487 7.727 8.250 -0.050 0.006 0.440 304 T N 2.345 116.757 114.554 -0.237 0.000 2.684 304 T HA -0.284 nan 4.350 nan 0.000 0.267 304 T C 1.343 175.546 174.700 -0.828 0.000 1.036 304 T CA 5.054 66.841 62.100 -0.523 0.000 1.148 304 T CB -0.736 67.793 68.868 -0.564 0.000 0.863 304 T HN -0.534 7.621 8.240 -0.143 0.000 0.436 305 W N 1.704 122.324 121.300 -1.133 0.000 2.318 305 W HA -0.529 nan 4.660 nan 0.000 0.313 305 W C 1.503 177.803 176.519 -0.365 0.000 1.221 305 W CA 4.256 61.036 57.345 -0.941 0.000 1.266 305 W CB 0.114 28.948 29.460 -1.043 0.000 1.150 305 W HN 0.543 8.084 8.180 -0.885 0.107 0.496 306 N N -1.846 116.938 118.700 0.141 0.000 2.166 306 N HA -0.426 nan 4.740 nan 0.000 0.186 306 N C 2.081 177.608 175.510 0.028 0.000 1.019 306 N CA 3.957 57.120 53.050 0.188 0.000 0.856 306 N CB -0.294 38.304 38.487 0.185 0.000 0.993 306 N HN -0.585 7.843 8.380 0.080 0.000 0.426 307 R N 0.751 121.238 120.500 -0.021 0.000 2.066 307 R HA -0.311 nan 4.340 nan 0.000 0.232 307 R C 2.175 178.554 176.300 0.132 0.000 1.131 307 R CA 3.881 60.013 56.100 0.054 0.000 0.955 307 R CB 0.015 30.357 30.300 0.070 0.000 0.851 307 R HN -0.405 7.737 8.270 -0.084 0.078 0.432 308 W N -2.540 118.664 121.300 -0.159 0.000 2.380 308 W HA -0.184 nan 4.660 nan 0.000 0.317 308 W C 2.675 179.023 176.519 -0.285 0.000 1.196 308 W CA 2.786 60.000 57.345 -0.217 0.000 1.307 308 W CB -0.585 28.698 29.460 -0.295 0.000 1.157 308 W HN 0.308 8.445 8.180 -0.071 0.000 0.483 309 V N -1.878 117.865 119.914 -0.286 0.000 2.273 309 V HA -0.391 nan 4.120 nan 0.000 0.242 309 V C 1.967 178.002 176.094 -0.098 0.000 1.035 309 V CA 4.981 67.023 62.300 -0.431 0.000 1.013 309 V CB -0.737 30.319 31.823 -1.278 0.000 0.652 309 V HN 0.324 8.249 8.190 -0.441 0.000 0.452 310 S N -1.393 114.242 115.700 -0.109 0.000 2.345 310 S HA -0.242 nan 4.470 nan 0.000 0.219 310 S C 1.781 176.430 174.600 0.083 0.000 1.031 310 S CA 3.369 61.613 58.200 0.073 0.000 0.984 310 S CB -0.070 63.232 63.200 0.170 0.000 0.874 310 S HN -0.466 7.712 8.310 -0.219 0.000 0.451 311 E N 0.812 121.056 120.200 0.075 0.000 2.005 311 E HA -0.283 nan 4.350 nan 0.000 0.191 311 E C 2.384 179.035 176.600 0.085 0.000 0.987 311 E CA 3.020 59.465 56.400 0.075 0.000 0.814 311 E CB 0.259 30.003 29.700 0.075 0.000 0.772 311 E HN -0.382 8.015 8.360 0.062 0.000 0.453 312 D N -0.545 119.921 120.400 0.110 0.000 2.078 312 D HA -0.210 nan 4.640 nan 0.000 0.193 312 D C 2.035 178.441 176.300 0.177 0.000 0.990 312 D CA 3.169 57.245 54.000 0.127 0.000 0.827 312 D CB -0.209 40.663 40.800 0.121 0.000 0.975 312 D HN 0.041 8.480 8.370 0.114 0.000 0.451 313 W N 0.424 121.720 121.300 -0.006 0.000 2.463 313 W HA -0.156 nan 4.660 nan 0.000 0.316 313 W C 1.814 178.380 176.519 0.078 0.000 1.170 313 W CA 4.093 61.455 57.345 0.029 0.000 1.355 313 W CB 0.431 29.822 29.460 -0.115 0.000 1.159 313 W HN 0.146 8.492 8.180 0.276 0.000 0.487 314 G N -3.008 105.886 108.800 0.156 0.000 2.442 314 G HA2 -0.416 nan 3.960 nan 0.000 0.219 314 G HA3 -0.416 nan 3.960 nan 0.000 0.219 314 G C 0.685 175.511 174.900 -0.124 0.000 1.141 314 G CA 1.759 46.818 45.100 -0.068 0.000 0.763 314 G HN 0.275 8.697 8.290 0.388 0.101 0.554 315 G N 0.332 109.111 108.800 -0.034 0.000 2.615 315 G HA2 0.044 nan 3.960 nan 0.000 0.213 315 G HA3 0.044 nan 3.960 nan 0.000 0.213 315 G C 1.239 176.113 174.900 -0.044 0.000 1.215 315 G CA 0.543 45.623 45.100 -0.032 0.000 0.843 315 G HN -0.640 7.555 8.290 0.025 0.110 0.571 316 I N 1.120 121.692 120.570 0.003 0.000 2.193 316 I HA -0.198 nan 4.170 nan 0.000 0.240 316 I C 1.466 177.588 176.117 0.008 0.000 1.084 316 I CA 0.979 62.288 61.300 0.016 0.000 1.365 316 I CB -1.095 36.945 38.000 0.067 0.000 1.064 316 I HN -0.631 7.599 8.210 0.033 0.000 0.410 317 W N 1.070 122.275 121.300 -0.159 0.000 2.354 317 W HA -0.366 nan 4.660 nan 0.000 0.315 317 W C 2.501 178.846 176.519 -0.289 0.000 1.206 317 W CA 3.545 60.772 57.345 -0.198 0.000 1.290 317 W CB 0.720 30.053 29.460 -0.212 0.000 1.152 317 W HN -0.116 8.167 8.180 0.172 0.000 0.489 318 I N -4.071 116.268 120.570 -0.384 0.000 2.394 318 I HA -0.324 nan 4.170 nan 0.000 0.251 318 I C 3.015 178.956 176.117 -0.294 0.000 1.136 318 I CA 1.959 62.985 61.300 -0.457 0.000 1.425 318 I CB -1.289 36.326 38.000 -0.641 0.000 1.079 318 I HN 0.419 8.394 8.210 -0.392 0.000 0.425 319 G N -0.168 108.500 108.800 -0.221 0.000 2.440 319 G HA2 -0.333 nan 3.960 nan 0.000 0.218 319 G HA3 -0.333 nan 3.960 nan 0.000 0.218 319 G C 1.578 176.387 174.900 -0.151 0.000 1.154 319 G CA 1.867 46.876 45.100 -0.153 0.000 0.767 319 G HN -0.330 7.826 8.290 -0.207 0.009 0.552 320 R N 1.037 121.430 120.500 -0.178 0.000 2.152 320 R HA -0.262 nan 4.340 nan 0.000 0.232 320 R C 2.296 178.542 176.300 -0.090 0.000 1.117 320 R CA 2.407 58.424 56.100 -0.138 0.000 0.981 320 R CB -0.234 29.962 30.300 -0.174 0.000 0.870 320 R HN -0.535 7.609 8.270 -0.210 0.000 0.451 321 L N -2.247 118.885 121.223 -0.150 0.000 2.554 321 L HA -0.016 nan 4.340 nan 0.000 0.226 321 L C 1.683 178.522 176.870 -0.052 0.000 1.137 321 L CA 0.428 55.232 54.840 -0.060 0.000 0.863 321 L CB -0.532 41.435 42.059 -0.153 0.000 0.985 321 L HN -0.379 7.558 8.230 -0.238 0.150 0.451 322 G N -0.331 108.402 108.800 -0.111 0.000 2.469 322 G HA2 -0.376 nan 3.960 nan 0.000 0.220 322 G HA3 -0.376 nan 3.960 nan 0.000 0.220 322 G C 0.478 175.286 174.900 -0.154 0.000 1.136 322 G CA 2.251 47.284 45.100 -0.110 0.000 0.759 322 G HN 0.048 8.092 8.290 -0.128 0.170 0.562 323 K N 0.608 120.848 120.400 -0.267 0.000 2.281 323 K HA -0.295 nan 4.320 nan 0.000 0.203 323 K C 0.729 177.013 176.600 -0.528 0.000 1.046 323 K CA 2.295 58.324 56.287 -0.431 0.000 0.938 323 K CB -0.578 31.569 32.500 -0.589 0.000 0.737 323 K HN -0.321 7.771 8.250 -0.246 0.010 0.458 324 Y N -2.323 117.914 120.300 -0.106 0.000 2.571 324 Y HA 0.094 nan 4.550 nan 0.000 0.275 324 Y C 0.233 176.088 175.900 -0.074 0.000 1.179 324 Y CA -0.701 57.337 58.100 -0.104 0.000 1.242 324 Y CB -0.448 37.916 38.460 -0.161 0.000 1.126 324 Y HN -0.268 7.733 8.280 -0.184 0.168 0.524 325 G N -1.623 107.185 108.800 0.014 0.000 2.162 325 G HA2 -0.486 nan 3.960 nan 0.000 0.260 325 G HA3 -0.486 nan 3.960 nan 0.000 0.260 325 G C -0.827 174.086 174.900 0.023 0.000 0.976 325 G CA 0.346 45.455 45.100 0.016 0.000 0.655 325 G HN -0.055 8.022 8.290 -0.055 0.181 0.533 326 V N 1.197 121.121 119.914 0.015 0.000 2.530 326 V HA -0.123 nan 4.120 nan 0.000 0.282 326 V C -0.434 175.645 176.094 -0.025 0.000 1.048 326 V CA 0.698 63.000 62.300 0.004 0.000 0.997 326 V CB -0.123 31.688 31.823 -0.021 0.000 0.987 326 V HN -0.696 7.460 8.190 0.019 0.045 0.477 327 E N 8.048 128.243 120.200 -0.008 0.000 2.221 327 E HA 0.274 nan 4.350 nan 0.000 0.268 327 E C -1.157 175.417 176.600 -0.044 0.000 0.933 327 E CA -1.565 54.821 56.400 -0.023 0.000 0.809 327 E CB 2.336 32.040 29.700 0.007 0.000 1.190 327 E HN 0.423 9.206 8.360 0.020 -0.412 0.406 328 S N 1.621 117.279 115.700 -0.071 0.000 2.552 328 S HA 0.050 nan 4.470 nan 0.000 0.289 328 S C -1.124 173.444 174.600 -0.054 0.000 1.304 328 S CA -1.436 56.701 58.200 -0.105 0.000 1.063 328 S CB 0.510 63.661 63.200 -0.082 0.000 0.848 328 S HN 0.061 8.334 8.310 -0.061 0.000 0.499 329 P HA 0.100 nan 4.420 nan 0.000 0.267 329 P C 0.091 177.370 177.300 -0.035 0.000 1.205 329 P CA -0.375 62.702 63.100 -0.039 0.000 0.765 329 P CB 0.722 32.388 31.700 -0.058 0.000 0.828 330 R N 6.296 126.796 120.500 -0.000 0.000 2.119 330 R HA -0.358 nan 4.340 nan 0.000 0.246 330 R C 1.296 177.583 176.300 -0.021 0.000 1.146 330 R CA 3.250 59.374 56.100 0.041 0.000 0.962 330 R CB -0.154 30.212 30.300 0.110 0.000 0.863 330 R HN 0.586 8.870 8.270 0.023 0.000 0.442 331 S N -1.433 114.084 115.700 -0.306 0.000 2.603 331 S HA -0.075 nan 4.470 nan 0.000 0.220 331 S C 1.283 176.047 174.600 0.274 0.000 0.967 331 S CA 1.713 59.701 58.200 -0.353 0.000 0.920 331 S CB 0.012 62.541 63.200 -1.119 0.000 0.773 331 S HN -0.154 8.308 8.310 -0.319 -0.344 0.529 332 L N 3.533 124.874 121.223 0.197 0.000 2.042 332 L HA -0.331 nan 4.340 nan 0.000 0.210 332 L C 0.576 177.680 176.870 0.390 0.000 1.076 332 L CA 3.147 58.146 54.840 0.266 0.000 0.749 332 L CB -0.351 41.727 42.059 0.032 0.000 0.893 332 L HN 0.120 8.192 8.230 0.048 0.187 0.432 333 R N -1.268 119.410 120.500 0.296 0.000 2.080 333 R HA -0.476 nan 4.340 nan 0.000 0.236 333 R C 1.620 178.128 176.300 0.348 0.000 1.137 333 R CA 3.906 60.177 56.100 0.286 0.000 0.943 333 R CB -0.632 29.809 30.300 0.235 0.000 0.846 333 R HN -0.237 8.165 8.270 0.233 0.008 0.431 334 D N -1.856 118.800 120.400 0.427 0.000 2.117 334 D HA -0.251 nan 4.640 nan 0.000 0.197 334 D C 2.014 178.644 176.300 0.550 0.000 0.987 334 D CA 3.009 57.309 54.000 0.500 0.000 0.829 334 D CB -0.610 40.569 40.800 0.632 0.000 0.961 334 D HN -0.071 8.552 8.370 0.423 0.000 0.460 335 A N -0.460 122.759 122.820 0.665 0.000 1.902 335 A HA -0.272 nan 4.320 nan 0.000 0.217 335 A C 1.720 179.444 177.584 0.235 0.000 1.181 335 A CA 2.945 55.294 52.037 0.520 0.000 0.623 335 A CB -0.582 18.875 19.000 0.763 0.000 0.818 335 A HN -0.213 8.379 8.150 0.737 0.000 0.443 336 K N -1.415 119.188 120.400 0.338 0.000 2.063 336 K HA -0.339 nan 4.320 nan 0.000 0.208 336 K C 2.794 179.393 176.600 -0.002 0.000 1.048 336 K CA 3.025 59.378 56.287 0.110 0.000 0.928 336 K CB -0.096 32.605 32.500 0.335 0.000 0.713 336 K HN -0.056 8.497 8.250 0.506 0.000 0.442 337 R N -2.894 117.690 120.500 0.140 0.000 2.152 337 R HA -0.258 nan 4.340 nan 0.000 0.232 337 R C 1.172 177.562 176.300 0.150 0.000 1.117 337 R CA 2.773 58.963 56.100 0.150 0.000 0.981 337 R CB -0.122 30.298 30.300 0.201 0.000 0.870 337 R HN -0.514 7.883 8.270 0.221 0.007 0.451 338 D N -3.042 117.432 120.400 0.123 0.000 2.346 338 D HA 0.041 nan 4.640 nan 0.000 0.206 338 D C -0.585 175.729 176.300 0.024 0.000 1.001 338 D CA 1.139 55.223 54.000 0.140 0.000 0.871 338 D CB 1.134 42.036 40.800 0.170 0.000 0.943 338 D HN -0.602 7.687 8.370 0.120 0.154 0.518 339 A N -1.889 120.770 122.820 -0.269 0.000 2.426 339 A HA -0.021 nan 4.320 nan 0.000 0.247 339 A C -0.663 176.827 177.584 -0.157 0.000 1.389 339 A CA 0.422 52.122 52.037 -0.563 0.000 1.129 339 A CB -1.414 16.520 19.000 -1.777 0.000 0.928 339 A HN -0.551 7.241 8.150 -0.329 0.160 0.557 340 Y N -3.449 116.823 120.300 -0.045 0.000 2.820 340 Y HA 0.132 nan 4.550 nan 0.000 0.261 340 Y C -0.758 175.091 175.900 -0.086 0.000 1.123 340 Y CA 2.204 60.268 58.100 -0.061 0.000 1.217 340 Y CB 2.579 40.912 38.460 -0.212 0.000 1.432 340 Y HN -0.520 7.781 8.280 0.203 0.101 0.461 341 W N -2.329 119.250 121.300 0.464 0.000 3.058 341 W HA 0.074 nan 4.660 nan 0.000 0.306 341 W C 1.181 177.801 176.519 0.169 0.000 1.188 341 W CA 0.009 57.562 57.345 0.347 0.000 1.651 341 W CB 1.144 30.861 29.460 0.428 0.000 1.051 341 W HN -0.531 7.945 8.180 0.495 0.000 0.592 342 A N 0.420 123.469 122.820 0.381 0.000 1.940 342 A HA -0.482 nan 4.320 nan 0.000 0.219 342 A C 0.967 178.661 177.584 0.183 0.000 1.176 342 A CA 3.780 55.985 52.037 0.280 0.000 0.631 342 A CB -1.120 18.011 19.000 0.219 0.000 0.814 342 A HN -0.334 8.037 8.150 0.369 0.000 0.446 343 H N -3.963 115.112 119.070 0.008 0.000 2.462 343 H HA -0.218 nan 4.556 nan 0.000 0.292 343 H C 2.370 177.627 175.328 -0.117 0.000 1.049 343 H CA 2.443 58.435 56.048 -0.092 0.000 1.334 343 H CB -0.753 28.914 29.762 -0.160 0.000 1.404 343 H HN 0.252 8.826 8.280 0.490 0.000 0.544 344 H N 1.257 120.087 119.070 -0.400 0.000 2.363 344 H HA -0.275 nan 4.556 nan 0.000 0.301 344 H C 2.184 177.336 175.328 -0.293 0.000 1.074 344 H CA 3.354 59.105 56.048 -0.495 0.000 1.354 344 H CB 0.081 29.308 29.762 -0.890 0.000 1.397 344 H HN -0.510 7.200 8.280 -0.747 0.122 0.516 345 D N 0.100 120.574 120.400 0.123 0.000 2.123 345 D HA -0.294 nan 4.640 nan 0.000 0.196 345 D C 2.322 178.680 176.300 0.097 0.000 0.992 345 D CA 3.228 57.375 54.000 0.245 0.000 0.833 345 D CB -0.232 40.739 40.800 0.285 0.000 0.954 345 D HN -0.078 8.395 8.370 0.172 0.000 0.455 346 L N -0.794 120.436 121.223 0.011 0.000 2.046 346 L HA -0.261 nan 4.340 nan 0.000 0.208 346 L C 1.610 178.319 176.870 -0.270 0.000 1.077 346 L CA 2.829 57.602 54.840 -0.111 0.000 0.747 346 L CB -0.708 41.256 42.059 -0.160 0.000 0.896 346 L HN -0.103 8.071 8.230 0.029 0.074 0.432 347 A N -1.613 121.023 122.820 -0.307 0.000 1.978 347 A HA -0.336 nan 4.320 nan 0.000 0.220 347 A C 1.926 179.581 177.584 0.119 0.000 1.170 347 A CA 3.190 55.018 52.037 -0.348 0.000 0.636 347 A CB -0.993 17.670 19.000 -0.561 0.000 0.810 347 A HN -0.015 7.926 8.150 -0.221 0.076 0.448 348 L N -2.178 119.136 121.223 0.152 0.000 2.017 348 L HA -0.413 nan 4.340 nan 0.000 0.208 348 L C 2.091 179.172 176.870 0.352 0.000 1.073 348 L CA 2.783 57.795 54.840 0.286 0.000 0.745 348 L CB -0.614 41.517 42.059 0.120 0.000 0.894 348 L HN -0.542 7.713 8.230 0.067 0.015 0.432 349 A N -1.123 121.790 122.820 0.154 0.000 1.873 349 A HA -0.317 nan 4.320 nan 0.000 0.215 349 A C 1.796 179.404 177.584 0.040 0.000 1.186 349 A CA 2.899 55.002 52.037 0.110 0.000 0.616 349 A CB -1.134 17.895 19.000 0.049 0.000 0.823 349 A HN -0.597 7.601 8.150 0.081 0.000 0.442 350 A N -1.160 121.589 122.820 -0.118 0.000 1.877 350 A HA -0.211 nan 4.320 nan 0.000 0.216 350 A C 2.028 179.588 177.584 -0.039 0.000 1.186 350 A CA 2.565 54.459 52.037 -0.238 0.000 0.620 350 A CB -0.519 18.022 19.000 -0.765 0.000 0.822 350 A HN -0.227 7.801 8.150 -0.202 0.000 0.443 351 Y N -3.170 117.222 120.300 0.152 0.000 2.242 351 Y HA -0.267 nan 4.550 nan 0.000 0.291 351 Y C 2.520 178.648 175.900 0.380 0.000 1.137 351 Y CA 3.419 61.743 58.100 0.374 0.000 1.181 351 Y CB 0.114 38.872 38.460 0.497 0.000 0.989 351 Y HN -0.133 8.340 8.280 0.322 0.000 0.527 352 A N -0.433 122.584 122.820 0.329 0.000 2.015 352 A HA -0.209 nan 4.320 nan 0.000 0.219 352 A C 0.707 178.274 177.584 -0.029 0.000 1.163 352 A CA 2.820 54.856 52.037 -0.002 0.000 0.646 352 A CB -0.345 18.685 19.000 0.050 0.000 0.806 352 A HN -0.094 8.299 8.150 0.406 0.000 0.448 353 M N -3.640 115.946 119.600 -0.023 0.000 2.771 353 M HA 0.261 nan 4.480 nan 0.000 0.341 353 M C 0.305 176.474 176.300 -0.219 0.000 1.226 353 M CA -1.513 53.677 55.300 -0.183 0.000 0.955 353 M CB -1.041 31.466 32.600 -0.156 0.000 1.318 353 M HN -0.337 7.960 8.290 0.053 0.024 0.514 354 W N 0.610 121.829 121.300 -0.134 0.000 2.325 354 W HA -0.198 nan 4.660 nan 0.000 0.299 354 W C -1.841 174.551 176.519 -0.213 0.000 1.215 354 W CA 4.114 61.351 57.345 -0.179 0.000 1.244 354 W CB -3.414 25.938 29.460 -0.180 0.000 1.140 354 W HN -0.371 7.768 8.180 0.058 0.076 0.523 355 P HA -0.199 nan 4.420 nan 0.000 0.225 355 P C -0.040 177.034 177.300 -0.377 0.000 1.148 355 P CA 1.816 64.325 63.100 -0.985 0.000 0.779 355 P CB -0.656 30.297 31.700 -1.245 0.000 0.780 356 L N -4.360 116.703 121.223 -0.267 0.000 2.591 356 L HA -0.013 nan 4.340 nan 0.000 0.228 356 L C 0.430 177.297 176.870 -0.006 0.000 1.133 356 L CA 0.111 54.885 54.840 -0.110 0.000 0.880 356 L CB -0.182 41.831 42.059 -0.077 0.000 1.033 356 L HN -0.505 7.490 8.230 -0.317 0.044 0.450 357 G N -2.592 106.201 108.800 -0.013 0.000 2.531 357 G HA2 0.176 nan 3.960 nan 0.000 0.281 357 G HA3 0.176 nan 3.960 nan 0.000 0.281 357 G C -1.841 173.123 174.900 0.107 0.000 1.382 357 G CA -0.836 44.274 45.100 0.018 0.000 1.045 357 G HN -0.561 7.527 8.290 -0.057 0.168 0.533 358 F N -7.655 112.252 119.950 -0.073 0.000 2.811 358 F HA 0.369 nan 4.527 nan 0.000 0.342 358 F C -2.557 173.162 175.800 -0.135 0.000 1.203 358 F CA -1.988 55.956 58.000 -0.093 0.000 1.173 358 F CB 0.321 39.255 39.000 -0.110 0.000 1.094 358 F HN -0.022 7.965 8.300 -0.522 0.000 0.510 359 A N -0.537 122.093 122.820 -0.317 0.000 2.515 359 A HA 0.389 nan 4.320 nan 0.000 0.296 359 A C -1.498 175.976 177.584 -0.184 0.000 1.094 359 A CA -1.184 50.662 52.037 -0.317 0.000 0.718 359 A CB 2.923 21.610 19.000 -0.521 0.000 1.307 359 A HN -0.565 7.415 8.150 -0.284 0.000 0.408 360 R N 0.312 120.725 120.500 -0.144 0.000 2.254 360 R HA 0.576 nan 4.340 nan 0.000 0.318 360 R C -0.468 175.770 176.300 -0.104 0.000 1.031 360 R CA -0.296 55.732 56.100 -0.121 0.000 0.905 360 R CB 0.975 31.232 30.300 -0.072 0.000 1.050 360 R HN 0.120 8.599 8.270 -0.145 -0.296 0.456 361 L N 2.652 123.811 121.223 -0.107 0.000 2.334 361 L HA 0.244 nan 4.340 nan 0.000 0.270 361 L C -1.186 175.753 176.870 0.115 0.000 1.018 361 L CA -1.489 53.334 54.840 -0.028 0.000 0.811 361 L CB 1.969 43.981 42.059 -0.078 0.000 1.271 361 L HN 0.306 8.432 8.230 -0.172 0.000 0.443 362 A N -0.021 122.939 122.820 0.233 0.000 2.335 362 A HA 0.262 nan 4.320 nan 0.000 0.304 362 A C -1.006 176.777 177.584 0.331 0.000 1.118 362 A CA -1.277 50.918 52.037 0.263 0.000 0.757 362 A CB 1.719 20.837 19.000 0.196 0.000 1.188 362 A HN 0.095 8.383 8.150 0.229 0.000 0.460 363 L N 3.418 124.760 121.223 0.198 0.000 2.506 363 L HA -0.032 nan 4.340 nan 0.000 0.281 363 L C -1.711 175.135 176.870 -0.040 0.000 1.228 363 L CA -1.511 53.239 54.840 -0.151 0.000 0.850 363 L CB 0.059 41.995 42.059 -0.205 0.000 1.110 363 L HN 0.474 8.840 8.230 0.228 0.000 0.496 364 P HA -0.023 nan 4.420 nan 0.000 0.267 364 P C -1.907 175.445 177.300 0.087 0.000 1.205 364 P CA -0.354 62.802 63.100 0.093 0.000 0.765 364 P CB 0.449 32.300 31.700 0.251 0.000 0.828 365 D N 5.602 126.040 120.400 0.064 0.000 2.447 365 D HA 0.020 nan 4.640 nan 0.000 0.265 365 D C 1.071 177.417 176.300 0.076 0.000 1.250 365 D CA -0.876 53.160 54.000 0.059 0.000 1.046 365 D CB 0.478 41.297 40.800 0.030 0.000 1.095 365 D HN -0.027 8.709 8.370 0.038 -0.343 0.555 366 E N -1.585 118.656 120.200 0.068 0.000 2.118 366 E HA -0.364 nan 4.350 nan 0.000 0.195 366 E C 2.506 179.146 176.600 0.067 0.000 0.992 366 E CA 4.000 60.448 56.400 0.079 0.000 0.804 366 E CB -0.213 29.526 29.700 0.064 0.000 0.741 366 E HN 0.411 8.805 8.360 0.056 0.000 0.458 367 E N -0.626 119.591 120.200 0.028 0.000 2.072 367 E HA -0.300 nan 4.350 nan 0.000 0.191 367 E C 2.167 178.759 176.600 -0.013 0.000 0.985 367 E CA 2.805 59.207 56.400 0.003 0.000 0.801 367 E CB -0.158 29.517 29.700 -0.041 0.000 0.750 367 E HN -0.544 7.920 8.360 0.017 -0.093 0.452 368 D N -0.055 120.315 120.400 -0.051 0.000 2.097 368 D HA -0.271 nan 4.640 nan 0.000 0.195 368 D C 2.618 178.907 176.300 -0.018 0.000 0.989 368 D CA 3.401 57.320 54.000 -0.135 0.000 0.827 368 D CB -0.446 40.297 40.800 -0.095 0.000 0.966 368 D HN -0.099 8.498 8.370 -0.033 -0.247 0.456 369 Q N -0.335 119.537 119.800 0.120 0.000 2.096 369 Q HA -0.362 nan 4.340 nan 0.000 0.204 369 Q C 2.406 178.485 176.000 0.133 0.000 0.982 369 Q CA 3.097 59.004 55.803 0.173 0.000 0.850 369 Q CB -0.179 28.765 28.738 0.344 0.000 0.901 369 Q HN 0.194 8.542 8.270 0.129 0.000 0.422 370 A N -0.588 122.304 122.820 0.120 0.000 1.902 370 A HA -0.241 nan 4.320 nan 0.000 0.217 370 A C 1.685 179.312 177.584 0.072 0.000 1.181 370 A CA 2.898 54.997 52.037 0.104 0.000 0.623 370 A CB -0.905 18.147 19.000 0.087 0.000 0.818 370 A HN -0.400 7.815 8.150 0.109 0.000 0.443 371 W N -0.459 120.746 121.300 -0.159 0.000 2.358 371 W HA -0.403 nan 4.660 nan 0.000 0.303 371 W C 1.706 178.081 176.519 -0.241 0.000 1.208 371 W CA 4.141 61.347 57.345 -0.232 0.000 1.274 371 W CB 0.143 29.385 29.460 -0.365 0.000 1.138 371 W HN -0.357 7.836 8.180 0.147 0.076 0.515 372 F N -2.379 117.517 119.950 -0.089 0.000 2.113 372 F HA -0.522 nan 4.527 nan 0.000 0.297 372 F C 2.045 177.705 175.800 -0.235 0.000 1.103 372 F CA 3.834 61.583 58.000 -0.418 0.000 1.248 372 F CB -0.380 37.714 39.000 -1.511 0.000 0.999 372 F HN 0.237 8.500 8.300 -0.060 0.000 0.475 373 E N -0.453 119.817 120.200 0.116 0.000 2.110 373 E HA -0.332 nan 4.350 nan 0.000 0.193 373 E C 1.833 178.494 176.600 0.100 0.000 0.988 373 E CA 2.503 59.055 56.400 0.253 0.000 0.804 373 E CB -0.359 29.524 29.700 0.305 0.000 0.745 373 E HN -0.073 8.334 8.360 0.079 0.000 0.458 374 A N -1.494 121.298 122.820 -0.047 0.000 1.969 374 A HA -0.098 nan 4.320 nan 0.000 0.218 374 A C 1.558 178.998 177.584 -0.239 0.000 1.169 374 A CA 2.296 54.257 52.037 -0.125 0.000 0.635 374 A CB -0.057 18.840 19.000 -0.172 0.000 0.810 374 A HN -0.011 8.018 8.150 -0.070 0.078 0.445 375 N N -4.058 114.390 118.700 -0.420 0.000 2.356 375 N HA 0.003 nan 4.740 nan 0.000 0.178 375 N C -0.382 174.712 175.510 -0.692 0.000 1.075 375 N CA 1.203 53.860 53.050 -0.656 0.000 0.889 375 N CB 1.906 39.718 38.487 -1.125 0.000 0.999 375 N HN -0.491 7.514 8.380 -0.422 0.121 0.464 376 Y N -1.240 119.015 120.300 -0.075 0.000 2.535 376 Y HA 0.356 nan 4.550 nan 0.000 0.351 376 Y C -2.560 173.557 175.900 0.361 0.000 1.050 376 Y CA -2.996 55.140 58.100 0.060 0.000 1.168 376 Y CB 0.384 38.804 38.460 -0.068 0.000 1.116 376 Y HN -0.053 8.264 8.280 0.061 0.000 0.654 377 P HA -0.332 nan 4.420 nan 0.000 0.257 377 P C -0.078 177.541 177.300 0.532 0.000 1.162 377 P CA 0.896 64.219 63.100 0.372 0.000 0.762 377 P CB -0.693 31.161 31.700 0.256 0.000 0.753 378 G N 2.285 111.355 108.800 0.452 0.000 2.201 378 G HA2 -0.299 nan 3.960 nan 0.000 0.212 378 G HA3 -0.299 nan 3.960 nan 0.000 0.212 378 G C 0.543 175.684 174.900 0.402 0.000 0.994 378 G CA -0.102 45.219 45.100 0.368 0.000 0.644 378 G HN -0.355 8.535 8.290 0.384 -0.369 0.508 379 W N 2.778 124.346 121.300 0.447 0.000 2.355 379 W HA -0.458 nan 4.660 nan 0.000 0.309 379 W C 0.532 177.191 176.519 0.233 0.000 1.206 379 W CA 4.219 61.817 57.345 0.422 0.000 1.284 379 W CB 0.244 29.906 29.460 0.336 0.000 1.145 379 W HN 0.167 8.808 8.180 0.835 0.039 0.502 380 A N -2.362 120.764 122.820 0.509 0.000 1.933 380 A HA -0.449 nan 4.320 nan 0.000 0.218 380 A C 1.492 179.061 177.584 -0.025 0.000 1.175 380 A CA 3.230 55.430 52.037 0.272 0.000 0.628 380 A CB -0.991 18.220 19.000 0.351 0.000 0.814 380 A HN 0.414 9.360 8.150 0.648 -0.407 0.444 381 D N -5.420 114.978 120.400 -0.003 0.000 2.317 381 D HA -0.184 nan 4.640 nan 0.000 0.211 381 D C 1.304 177.494 176.300 -0.184 0.000 0.966 381 D CA 2.468 56.422 54.000 -0.076 0.000 0.876 381 D CB 0.436 41.220 40.800 -0.026 0.000 0.927 381 D HN 0.309 8.710 8.370 0.088 0.022 0.519 382 H N -0.226 118.572 119.070 -0.454 0.000 2.329 382 H HA 0.060 nan 4.556 nan 0.000 0.285 382 H C 1.730 176.495 175.328 -0.938 0.000 1.062 382 H CA 2.604 58.221 56.048 -0.718 0.000 1.511 382 H CB 1.542 30.729 29.762 -0.957 0.000 1.471 382 H HN -0.687 7.294 8.280 -0.246 0.151 0.613 383 Y N -1.304 118.387 120.300 -1.016 0.000 2.184 383 Y HA -0.234 nan 4.550 nan 0.000 0.290 383 Y C 2.395 177.413 175.900 -1.469 0.000 1.129 383 Y CA 3.341 60.584 58.100 -1.428 0.000 1.144 383 Y CB -0.075 37.482 38.460 -1.505 0.000 0.995 383 Y HN -0.397 7.316 8.280 -0.946 0.000 0.513 384 G N -2.020 105.982 108.800 -1.329 0.000 2.442 384 G HA2 -0.452 nan 3.960 nan 0.000 0.219 384 G HA3 -0.452 nan 3.960 nan 0.000 0.219 384 G C 1.013 175.667 174.900 -0.411 0.000 1.141 384 G CA 2.025 46.690 45.100 -0.725 0.000 0.763 384 G HN 0.212 7.623 8.290 -1.465 0.000 0.554 385 K N 2.142 122.261 120.400 -0.469 0.000 2.057 385 K HA -0.281 nan 4.320 nan 0.000 0.207 385 K C 2.308 178.604 176.600 -0.507 0.000 1.049 385 K CA 2.899 58.964 56.287 -0.371 0.000 0.931 385 K CB -0.133 32.169 32.500 -0.329 0.000 0.714 385 K HN -0.707 7.207 8.250 -0.536 0.014 0.440 386 I N -0.262 119.824 120.570 -0.807 0.000 2.202 386 I HA -0.501 nan 4.170 nan 0.000 0.242 386 I C 1.981 177.319 176.117 -1.299 0.000 1.091 386 I CA 4.132 64.738 61.300 -1.156 0.000 1.368 386 I CB 0.046 37.177 38.000 -1.448 0.000 1.058 386 I HN -0.752 6.848 8.210 -0.893 0.074 0.410 387 F N -1.075 118.319 119.950 -0.928 0.000 2.126 387 F HA -0.487 nan 4.527 nan 0.000 0.299 387 F C 2.312 177.879 175.800 -0.388 0.000 1.096 387 F CA 3.365 60.964 58.000 -0.668 0.000 1.255 387 F CB -1.323 37.412 39.000 -0.442 0.000 0.997 387 F HN 0.264 7.852 8.300 -1.187 0.000 0.479 388 N N -0.804 117.815 118.700 -0.135 0.000 2.188 388 N HA -0.377 nan 4.740 nan 0.000 0.184 388 N C 1.899 177.348 175.510 -0.102 0.000 1.018 388 N CA 3.272 56.279 53.050 -0.071 0.000 0.858 388 N CB -0.162 38.296 38.487 -0.048 0.000 0.989 388 N HN 0.136 8.398 8.380 -0.197 0.000 0.426 389 E N 1.536 121.602 120.200 -0.222 0.000 2.072 389 E HA -0.254 nan 4.350 nan 0.000 0.191 389 E C 1.963 178.500 176.600 -0.105 0.000 0.985 389 E CA 2.993 59.280 56.400 -0.188 0.000 0.801 389 E CB -0.388 29.150 29.700 -0.270 0.000 0.750 389 E HN -0.168 7.911 8.360 -0.339 0.078 0.452 390 W N -1.466 119.665 121.300 -0.281 0.000 2.363 390 W HA -0.253 nan 4.660 nan 0.000 0.296 390 W C 2.460 178.983 176.519 0.007 0.000 1.212 390 W CA 1.467 58.741 57.345 -0.118 0.000 1.260 390 W CB -0.576 28.879 29.460 -0.008 0.000 1.131 390 W HN 0.227 8.200 8.180 -0.345 0.000 0.530 391 K N -0.680 119.843 120.400 0.204 0.000 2.057 391 K HA -0.393 nan 4.320 nan 0.000 0.207 391 K C 2.676 179.338 176.600 0.104 0.000 1.049 391 K CA 3.320 59.717 56.287 0.184 0.000 0.931 391 K CB -0.280 32.285 32.500 0.108 0.000 0.714 391 K HN -0.117 8.126 8.250 0.126 0.082 0.440 392 K N 0.553 120.968 120.400 0.026 0.000 2.057 392 K HA -0.217 nan 4.320 nan 0.000 0.207 392 K C 1.748 178.305 176.600 -0.071 0.000 1.049 392 K CA 2.721 59.000 56.287 -0.015 0.000 0.931 392 K CB -0.073 32.409 32.500 -0.029 0.000 0.714 392 K HN -0.380 7.879 8.250 0.015 0.000 0.440 393 L N -3.835 117.267 121.223 -0.201 0.000 2.622 393 L HA -0.108 nan 4.340 nan 0.000 0.233 393 L C 0.182 176.831 176.870 -0.369 0.000 1.156 393 L CA 0.623 55.188 54.840 -0.458 0.000 0.866 393 L CB 0.265 41.685 42.059 -1.064 0.000 0.980 393 L HN -0.274 7.773 8.230 -0.180 0.074 0.448 394 G N -3.474 105.299 108.800 -0.045 0.000 2.145 394 G HA2 -0.331 nan 3.960 nan 0.000 0.176 394 G HA3 -0.331 nan 3.960 nan 0.000 0.176 394 G C 0.553 175.750 174.900 0.495 0.000 1.013 394 G CA -0.444 44.769 45.100 0.188 0.000 0.689 394 G HN -0.495 7.595 8.290 0.002 0.202 0.506 395 Y N 1.303 121.871 120.300 0.447 0.000 2.102 395 Y HA -0.488 nan 4.550 nan 0.000 0.280 395 Y C -0.872 175.277 175.900 0.414 0.000 1.178 395 Y CA 4.425 62.838 58.100 0.522 0.000 1.146 395 Y CB 0.111 38.810 38.460 0.398 0.000 0.968 395 Y HN -0.242 8.354 8.280 0.526 0.000 0.504 396 E N -5.866 114.604 120.200 0.449 0.000 2.442 396 E HA -0.094 nan 4.350 nan 0.000 0.195 396 E C -0.695 176.223 176.600 0.530 0.000 1.030 396 E CA -0.030 56.619 56.400 0.415 0.000 0.869 396 E CB 0.238 30.148 29.700 0.350 0.000 0.857 396 E HN -0.090 8.569 8.360 0.499 0.000 0.505 397 D N 1.139 121.779 120.400 0.401 0.000 2.317 397 D HA 0.321 nan 4.640 nan 0.000 0.234 397 D C -1.317 174.808 176.300 -0.292 0.000 1.112 397 D CA -3.519 50.544 54.000 0.105 0.000 0.840 397 D CB 0.896 41.732 40.800 0.059 0.000 1.078 397 D HN -0.593 7.867 8.370 0.436 0.172 0.486 398 P HA -0.206 nan 4.420 nan 0.000 0.219 398 P C 0.600 177.416 177.300 -0.807 0.000 1.146 398 P CA 1.765 63.927 63.100 -1.563 0.000 0.808 398 P CB 0.204 31.322 31.700 -0.969 0.000 0.779 399 K N -3.588 116.570 120.400 -0.403 0.000 2.459 399 K HA 0.004 nan 4.320 nan 0.000 0.193 399 K C 1.505 178.035 176.600 -0.116 0.000 1.030 399 K CA 0.163 56.321 56.287 -0.217 0.000 1.026 399 K CB -0.763 31.657 32.500 -0.133 0.000 0.809 399 K HN -0.287 8.066 8.250 -0.333 -0.303 0.504 400 S N -1.353 114.300 115.700 -0.078 0.000 2.423 400 S HA -0.129 nan 4.470 nan 0.000 0.231 400 S C 1.231 175.918 174.600 0.145 0.000 1.014 400 S CA 1.187 59.431 58.200 0.074 0.000 0.965 400 S CB 0.348 63.667 63.200 0.197 0.000 0.785 400 S HN -0.268 7.801 8.310 -0.145 0.154 0.495 401 G N 2.464 111.340 108.800 0.128 0.000 2.179 401 G HA2 -0.297 nan 3.960 nan 0.000 0.257 401 G HA3 -0.297 nan 3.960 nan 0.000 0.257 401 G C -1.071 174.019 174.900 0.317 0.000 1.010 401 G CA 0.475 45.684 45.100 0.182 0.000 0.736 401 G HN -0.332 7.937 8.290 0.004 0.023 0.513 402 F N 1.153 121.265 119.950 0.270 0.000 2.411 402 F HA 0.271 nan 4.527 nan 0.000 0.352 402 F C -2.083 173.868 175.800 0.252 0.000 1.123 402 F CA -1.096 57.047 58.000 0.238 0.000 1.044 402 F CB 1.617 40.748 39.000 0.218 0.000 1.135 402 F HN -0.634 7.988 8.300 0.581 0.026 0.461 403 I N 6.418 126.625 120.570 -0.606 0.000 2.418 403 I HA 0.328 nan 4.170 nan 0.000 0.287 403 I C -1.575 173.952 176.117 -0.984 0.000 1.008 403 I CA -4.671 56.254 61.300 -0.625 0.000 1.104 403 I CB 1.279 39.055 38.000 -0.374 0.000 1.264 403 I HN 0.185 8.116 8.210 -0.465 0.000 0.438 404 P HA -0.161 nan 4.420 nan 0.000 0.219 404 P C 0.709 177.794 177.300 -0.358 0.000 1.146 404 P CA 2.020 64.526 63.100 -0.991 0.000 0.808 404 P CB 0.065 30.808 31.700 -1.596 0.000 0.779 405 Y N -1.208 118.878 120.300 -0.355 0.000 2.165 405 Y HA -0.481 nan 4.550 nan 0.000 0.286 405 Y C 1.509 177.353 175.900 -0.093 0.000 1.155 405 Y CA 3.196 61.202 58.100 -0.157 0.000 1.164 405 Y CB -0.546 37.814 38.460 -0.167 0.000 0.978 405 Y HN -0.610 7.526 8.280 -0.210 0.018 0.513 406 Q N -1.609 118.033 119.800 -0.263 0.000 2.084 406 Q HA -0.461 nan 4.340 nan 0.000 0.202 406 Q C 1.893 177.846 176.000 -0.079 0.000 0.978 406 Q CA 3.077 58.731 55.803 -0.248 0.000 0.844 406 Q CB -0.370 28.282 28.738 -0.143 0.000 0.898 406 Q HN -0.454 7.683 8.270 -0.215 0.004 0.426 407 W N 0.799 122.014 121.300 -0.142 0.000 2.338 407 W HA -0.403 nan 4.660 nan 0.000 0.304 407 W C 1.855 178.411 176.519 0.062 0.000 1.212 407 W CA 3.995 61.385 57.345 0.075 0.000 1.264 407 W CB -0.035 29.599 29.460 0.289 0.000 1.142 407 W HN -0.690 7.451 8.180 0.060 0.075 0.512 408 L N -2.175 119.219 121.223 0.284 0.000 2.017 408 L HA -0.549 nan 4.340 nan 0.000 0.208 408 L C 2.139 178.926 176.870 -0.137 0.000 1.073 408 L CA 3.456 58.393 54.840 0.162 0.000 0.745 408 L CB -0.391 41.808 42.059 0.233 0.000 0.894 408 L HN 0.193 8.489 8.230 0.268 0.094 0.432 409 L N -1.647 119.396 121.223 -0.300 0.000 2.017 409 L HA -0.459 nan 4.340 nan 0.000 0.208 409 L C 2.526 179.231 176.870 -0.275 0.000 1.073 409 L CA 3.069 57.707 54.840 -0.337 0.000 0.745 409 L CB -0.885 40.908 42.059 -0.444 0.000 0.894 409 L HN -0.312 7.686 8.230 -0.387 0.000 0.432 410 A N -1.046 121.623 122.820 -0.252 0.000 1.940 410 A HA -0.301 nan 4.320 nan 0.000 0.219 410 A C 1.300 178.701 177.584 -0.305 0.000 1.176 410 A CA 2.793 54.691 52.037 -0.232 0.000 0.631 410 A CB -0.767 18.130 19.000 -0.172 0.000 0.814 410 A HN 0.335 8.347 8.150 -0.230 0.000 0.446 411 N N -2.960 115.482 118.700 -0.430 0.000 2.314 411 N HA -0.011 nan 4.740 nan 0.000 0.200 411 N C -0.025 175.118 175.510 -0.612 0.000 1.135 411 N CA -0.183 52.541 53.050 -0.542 0.000 0.835 411 N CB 0.439 38.463 38.487 -0.773 0.000 0.989 411 N HN -0.462 7.636 8.380 -0.436 0.021 0.478 412 G N -0.859 107.683 108.800 -0.430 0.000 2.198 412 G HA2 -0.423 nan 3.960 nan 0.000 0.260 412 G HA3 -0.423 nan 3.960 nan 0.000 0.260 412 G C -0.416 174.257 174.900 -0.379 0.000 1.025 412 G CA 0.843 45.717 45.100 -0.377 0.000 0.769 412 G HN 0.112 8.001 8.290 -0.347 0.193 0.507 413 H N 1.086 120.052 119.070 -0.173 0.000 2.432 413 H HA 0.113 nan 4.556 nan 0.000 0.226 413 H C -1.064 174.198 175.328 -0.109 0.000 1.634 413 H CA -2.474 53.509 56.048 -0.108 0.000 1.253 413 H CB -0.570 29.152 29.762 -0.067 0.000 1.584 413 H HN 0.307 8.332 8.280 -0.226 0.120 0.545 414 D N 0.908 121.268 120.400 -0.066 0.000 2.443 414 D HA -0.140 nan 4.640 nan 0.000 0.239 414 D C -1.116 174.983 176.300 -0.335 0.000 1.136 414 D CA 1.429 55.271 54.000 -0.263 0.000 0.879 414 D CB 0.666 41.229 40.800 -0.395 0.000 1.195 414 D HN -0.503 7.787 8.370 -0.048 0.051 0.443 415 V N 1.428 121.141 119.914 -0.335 0.000 2.435 415 V HA 0.346 nan 4.120 nan 0.000 0.290 415 V C -0.810 175.068 176.094 -0.361 0.000 1.030 415 V CA -0.508 61.715 62.300 -0.128 0.000 0.881 415 V CB 1.116 33.084 31.823 0.243 0.000 0.983 415 V HN 0.121 8.141 8.190 -0.283 0.000 0.445 416 Y N 4.764 125.200 120.300 0.227 0.000 2.549 416 Y HA 0.449 nan 4.550 nan 0.000 0.339 416 Y C -1.222 174.860 175.900 0.303 0.000 1.053 416 Y CA -2.154 56.094 58.100 0.246 0.000 1.105 416 Y CB 4.128 42.708 38.460 0.199 0.000 1.258 416 Y HN 0.890 9.311 8.280 0.235 0.000 0.478 417 I N 0.377 121.201 120.570 0.424 0.000 2.362 417 I HA 0.205 nan 4.170 nan 0.000 0.289 417 I C -1.171 175.043 176.117 0.161 0.000 0.994 417 I CA -2.498 58.953 61.300 0.252 0.000 1.158 417 I CB 1.116 39.211 38.000 0.158 0.000 1.315 417 I HN 0.491 8.960 8.210 0.430 0.000 0.451 418 D N 7.365 127.832 120.400 0.112 0.000 2.434 418 D HA -0.142 nan 4.640 nan 0.000 0.252 418 D C 0.775 177.068 176.300 -0.011 0.000 1.185 418 D CA 0.703 54.718 54.000 0.025 0.000 0.886 418 D CB 1.044 41.852 40.800 0.013 0.000 1.148 418 D HN -0.125 8.326 8.370 0.136 0.000 0.483 419 R N 7.663 128.123 120.500 -0.067 0.000 2.159 419 R HA -0.272 nan 4.340 nan 0.000 0.237 419 R C 0.617 176.903 176.300 -0.022 0.000 1.131 419 R CA 2.331 58.399 56.100 -0.054 0.000 0.982 419 R CB -0.046 30.154 30.300 -0.167 0.000 0.868 419 R HN 0.289 8.492 8.270 -0.112 0.000 0.453 420 V N -3.893 115.964 119.914 -0.096 0.000 2.326 420 V HA -0.066 nan 4.120 nan 0.000 0.238 420 V C 1.133 177.191 176.094 -0.059 0.000 1.038 420 V CA 2.469 64.659 62.300 -0.184 0.000 1.032 420 V CB 0.037 31.644 31.823 -0.361 0.000 0.675 420 V HN -0.631 7.690 8.190 -0.114 -0.199 0.467 421 S N -2.666 113.010 115.700 -0.039 0.000 2.527 421 S HA -0.106 nan 4.470 nan 0.000 0.222 421 S C 0.898 175.472 174.600 -0.043 0.000 0.985 421 S CA 1.253 59.433 58.200 -0.033 0.000 0.921 421 S CB 1.622 64.813 63.200 -0.015 0.000 0.772 421 S HN -0.391 8.180 8.310 -0.034 -0.281 0.529 422 Q N -3.382 116.404 119.800 -0.023 0.000 2.416 422 Q HA -0.324 nan 4.340 nan 0.000 0.235 422 Q C -0.597 175.415 176.000 0.021 0.000 0.773 422 Q CA 0.866 56.654 55.803 -0.024 0.000 1.286 422 Q CB -2.491 26.191 28.738 -0.093 0.000 1.556 422 Q HN -0.088 8.134 8.270 -0.013 0.040 0.650 423 V N 1.968 121.912 119.914 0.050 0.000 2.498 423 V HA 0.170 nan 4.120 nan 0.000 0.279 423 V C -1.907 174.258 176.094 0.118 0.000 1.048 423 V CA -1.759 60.587 62.300 0.076 0.000 0.967 423 V CB -0.164 31.689 31.823 0.049 0.000 0.988 423 V HN -0.721 7.424 8.190 0.035 0.065 0.473 424 P HA 0.347 nan 4.420 nan 0.000 0.271 424 P C -1.956 175.533 177.300 0.315 0.000 1.218 424 P CA -0.069 63.149 63.100 0.197 0.000 0.780 424 P CB 0.443 32.218 31.700 0.125 0.000 0.901 425 F N 3.406 123.462 119.950 0.177 0.000 2.574 425 F HA 0.323 nan 4.527 nan 0.000 0.313 425 F C -2.389 173.560 175.800 0.249 0.000 1.130 425 F CA -0.938 57.178 58.000 0.193 0.000 0.936 425 F CB 4.354 43.468 39.000 0.190 0.000 1.219 425 F HN 0.622 9.163 8.300 0.403 0.000 0.445 426 I N 6.455 126.782 120.570 -0.405 0.000 2.555 426 I HA 0.363 nan 4.170 nan 0.000 0.275 426 I C -0.992 174.776 176.117 -0.580 0.000 1.082 426 I CA -3.850 57.280 61.300 -0.284 0.000 1.167 426 I CB 0.572 38.529 38.000 -0.071 0.000 1.312 426 I HN 0.366 8.305 8.210 -0.451 0.000 0.493 427 P HA -0.156 nan 4.420 nan 0.000 0.216 427 P C 0.946 178.157 177.300 -0.149 0.000 1.150 427 P CA 2.625 65.419 63.100 -0.510 0.000 0.843 427 P CB -0.142 31.482 31.700 -0.126 0.000 0.787 428 S N -1.259 114.423 115.700 -0.029 0.000 2.481 428 S HA -0.153 nan 4.470 nan 0.000 0.231 428 S C 1.115 175.734 174.600 0.032 0.000 0.996 428 S CA 2.317 60.559 58.200 0.069 0.000 0.942 428 S CB -0.416 62.925 63.200 0.235 0.000 0.768 428 S HN 0.262 8.561 8.310 0.002 0.012 0.520 429 L N -0.734 120.456 121.223 -0.054 0.000 2.766 429 L HA 0.199 nan 4.340 nan 0.000 0.242 429 L C -1.107 175.761 176.870 -0.003 0.000 1.136 429 L CA -0.929 53.871 54.840 -0.066 0.000 0.933 429 L CB 0.779 42.724 42.059 -0.191 0.000 1.241 429 L HN -0.608 7.419 8.230 -0.092 0.148 0.522 430 A N -0.679 122.108 122.820 -0.055 0.000 2.440 430 A HA -0.026 nan 4.320 nan 0.000 0.251 430 A C -0.883 176.699 177.584 -0.003 0.000 1.089 430 A CA 0.626 52.683 52.037 0.033 0.000 0.779 430 A CB -0.054 18.984 19.000 0.063 0.000 1.022 430 A HN -0.362 7.716 8.150 -0.120 0.000 0.492 431 K N 3.414 123.837 120.400 0.039 0.000 2.355 431 K HA 0.116 nan 4.320 nan 0.000 0.198 431 K C 0.650 177.364 176.600 0.190 0.000 1.039 431 K CA -0.523 55.707 56.287 -0.094 0.000 1.075 431 K CB 0.814 33.006 32.500 -0.513 0.000 0.870 431 K HN 0.154 8.987 8.250 0.188 -0.471 0.540 432 G N -0.257 108.744 108.800 0.335 0.000 2.570 432 G HA2 0.016 nan 3.960 nan 0.000 0.276 432 G HA3 0.016 nan 3.960 nan 0.000 0.276 432 G C 0.272 175.358 174.900 0.310 0.000 1.346 432 G CA -0.280 45.049 45.100 0.381 0.000 1.034 432 G HN -0.453 8.256 8.290 0.326 -0.223 0.512 433 T N -4.754 109.968 114.554 0.280 0.000 3.086 433 T HA 0.207 nan 4.350 nan 0.000 0.250 433 T C 1.468 176.270 174.700 0.170 0.000 1.074 433 T CA -0.545 61.692 62.100 0.227 0.000 0.988 433 T CB 0.235 69.240 68.868 0.229 0.000 0.988 433 T HN 0.285 9.134 8.240 0.285 -0.438 0.530 434 G N 1.686 110.551 108.800 0.109 0.000 2.712 434 G HA2 -0.061 nan 3.960 nan 0.000 0.258 434 G HA3 -0.061 nan 3.960 nan 0.000 0.258 434 G C -1.127 173.708 174.900 -0.109 0.000 1.241 434 G CA -0.108 44.874 45.100 -0.196 0.000 0.923 434 G HN -0.246 8.160 8.290 0.192 0.000 0.548 435 S N -2.020 113.534 115.700 -0.244 0.000 2.543 435 S HA 0.003 nan 4.470 nan 0.000 0.273 435 S C -1.671 172.885 174.600 -0.074 0.000 1.152 435 S CA -0.348 57.854 58.200 0.002 0.000 0.910 435 S CB 2.382 65.589 63.200 0.012 0.000 1.105 435 S HN 0.132 8.075 8.310 -0.408 0.122 0.465 436 L N 3.539 124.804 121.223 0.069 0.000 2.380 436 L HA 0.412 nan 4.340 nan 0.000 0.273 436 L C -1.295 175.446 176.870 -0.214 0.000 1.138 436 L CA 0.215 55.006 54.840 -0.081 0.000 0.832 436 L CB 0.909 42.903 42.059 -0.108 0.000 1.124 436 L HN 0.258 8.606 8.230 0.198 0.000 0.454 437 R N 5.463 125.763 120.500 -0.334 0.000 2.532 437 R HA 0.315 nan 4.340 nan 0.000 0.297 437 R C -2.031 173.877 176.300 -0.654 0.000 0.984 437 R CA -0.993 54.835 56.100 -0.454 0.000 0.884 437 R CB 3.097 33.145 30.300 -0.421 0.000 1.182 437 R HN 0.277 8.344 8.270 -0.337 0.000 0.442 438 V N 4.205 123.703 119.914 -0.692 0.000 2.409 438 V HA 0.540 nan 4.120 nan 0.000 0.291 438 V C -1.067 174.746 176.094 -0.469 0.000 1.020 438 V CA -0.973 60.936 62.300 -0.651 0.000 0.848 438 V CB 0.999 32.311 31.823 -0.852 0.000 0.990 438 V HN 0.259 8.103 8.190 -0.576 0.000 0.430 439 H N 6.456 125.437 119.070 -0.148 0.000 2.679 439 H HA 0.425 nan 4.556 nan 0.000 0.367 439 H C -1.804 173.582 175.328 0.097 0.000 1.162 439 H CA -1.921 54.127 56.048 -0.001 0.000 1.181 439 H CB 4.089 33.890 29.762 0.065 0.000 1.693 439 H HN 0.634 8.725 8.280 -0.315 0.000 0.538 440 E N 1.810 122.193 120.200 0.305 0.000 2.179 440 E HA 0.421 nan 4.350 nan 0.000 0.275 440 E C -1.500 175.362 176.600 0.438 0.000 0.945 440 E CA -1.263 55.305 56.400 0.279 0.000 0.792 440 E CB 1.995 31.797 29.700 0.170 0.000 1.125 440 E HN 0.270 8.806 8.360 0.294 0.000 0.397 441 F N 7.529 127.662 119.950 0.305 0.000 2.607 441 F HA 0.278 nan 4.527 nan 0.000 0.322 441 F C -1.233 174.706 175.800 0.231 0.000 1.176 441 F CA -0.057 58.115 58.000 0.287 0.000 0.977 441 F CB 2.784 42.033 39.000 0.415 0.000 1.242 441 F HN 0.898 9.492 8.300 0.489 0.000 0.465 442 N N 8.562 126.947 118.700 -0.526 0.000 2.725 442 N HA -0.328 nan 4.740 nan 0.000 0.251 442 N C 0.197 175.630 175.510 -0.128 0.000 1.031 442 N CA 0.164 52.948 53.050 -0.443 0.000 0.720 442 N CB -0.829 37.245 38.487 -0.690 0.000 0.930 442 N HN 0.868 8.943 8.380 -0.507 0.000 0.543 443 G N -6.203 102.572 108.800 -0.042 0.000 2.148 443 G HA2 -0.489 nan 3.960 nan 0.000 0.254 443 G HA3 -0.489 nan 3.960 nan 0.000 0.254 443 G C -1.439 173.481 174.900 0.033 0.000 0.981 443 G CA 0.171 45.274 45.100 0.004 0.000 0.670 443 G HN 0.439 8.700 8.290 -0.039 0.006 0.528 444 K N 0.638 121.083 120.400 0.074 0.000 2.427 444 K HA 0.322 nan 4.320 nan 0.000 0.252 444 K C -1.692 174.865 176.600 -0.072 0.000 0.931 444 K CA -1.583 54.706 56.287 0.004 0.000 0.793 444 K CB 2.958 35.485 32.500 0.045 0.000 1.211 444 K HN -0.425 7.745 8.250 0.131 0.158 0.426 445 K N 4.356 124.641 120.400 -0.191 0.000 2.143 445 K HA 0.543 nan 4.320 nan 0.000 0.272 445 K C -0.972 175.332 176.600 -0.494 0.000 1.001 445 K CA -0.350 55.823 56.287 -0.189 0.000 0.915 445 K CB 1.497 33.959 32.500 -0.064 0.000 1.047 445 K HN 0.448 8.601 8.250 -0.160 0.000 0.458 446 H N 2.340 121.322 119.070 -0.147 0.000 2.679 446 H HA 0.495 nan 4.556 nan 0.000 0.360 446 H C -1.417 173.674 175.328 -0.396 0.000 1.105 446 H CA -1.356 54.501 56.048 -0.319 0.000 1.196 446 H CB 3.985 33.335 29.762 -0.687 0.000 1.636 446 H HN 0.848 9.071 8.280 -0.095 0.000 0.531 447 S N 2.401 117.966 115.700 -0.225 0.000 2.449 447 S HA 0.683 nan 4.470 nan 0.000 0.310 447 S C -1.618 172.825 174.600 -0.261 0.000 1.096 447 S CA -0.927 57.109 58.200 -0.274 0.000 1.095 447 S CB 0.659 63.775 63.200 -0.140 0.000 1.007 447 S HN 0.669 8.891 8.310 -0.146 0.000 0.474 448 L N 3.850 124.882 121.223 -0.318 0.000 2.319 448 L HA 0.647 nan 4.340 nan 0.000 0.267 448 L C 0.119 176.861 176.870 -0.213 0.000 1.011 448 L CA -1.387 53.307 54.840 -0.244 0.000 0.818 448 L CB 3.048 44.965 42.059 -0.237 0.000 1.316 448 L HN 0.741 8.734 8.230 -0.394 0.000 0.432 449 T N -5.465 108.979 114.554 -0.184 0.000 3.087 449 T HA 0.278 nan 4.350 nan 0.000 0.283 449 T C -1.526 173.028 174.700 -0.244 0.000 0.956 449 T CA -0.315 61.602 62.100 -0.304 0.000 0.894 449 T CB 1.319 69.902 68.868 -0.475 0.000 1.160 449 T HN 0.469 8.631 8.240 -0.130 0.000 0.532 450 D N -1.623 118.714 120.400 -0.105 0.000 2.622 450 D HA 0.066 nan 4.640 nan 0.000 0.255 450 D C -0.323 175.892 176.300 -0.141 0.000 1.246 450 D CA -0.345 53.623 54.000 -0.053 0.000 0.795 450 D CB 3.022 43.930 40.800 0.180 0.000 1.369 450 D HN -0.878 7.438 8.370 -0.089 0.000 0.425 451 D N 1.528 121.748 120.400 -0.300 0.000 2.144 451 D HA -0.228 nan 4.640 nan 0.000 0.199 451 D C 1.919 177.899 176.300 -0.533 0.000 0.984 451 D CA 3.759 57.472 54.000 -0.477 0.000 0.834 451 D CB -0.315 40.037 40.800 -0.746 0.000 0.955 451 D HN 0.470 8.671 8.370 -0.282 0.000 0.465 452 W N -0.978 120.063 121.300 -0.431 0.000 2.379 452 W HA -0.170 nan 4.660 nan 0.000 0.307 452 W C 2.191 178.573 176.519 -0.229 0.000 1.200 452 W CA 2.569 59.619 57.345 -0.491 0.000 1.297 452 W CB -0.320 28.438 29.460 -1.170 0.000 1.140 452 W HN -0.533 7.307 8.180 -0.720 -0.093 0.507 453 G N -2.607 106.235 108.800 0.069 0.000 2.421 453 G HA2 -0.327 nan 3.960 nan 0.000 0.217 453 G HA3 -0.327 nan 3.960 nan 0.000 0.217 453 G C 0.468 175.384 174.900 0.027 0.000 1.143 453 G CA 1.418 46.569 45.100 0.085 0.000 0.784 453 G HN 0.365 9.100 8.290 0.062 -0.407 0.541 454 E N 2.175 122.377 120.200 0.002 0.000 2.077 454 E HA -0.366 nan 4.350 nan 0.000 0.193 454 E C 1.650 178.304 176.600 0.090 0.000 0.989 454 E CA 3.017 59.453 56.400 0.059 0.000 0.800 454 E CB -0.115 29.595 29.700 0.016 0.000 0.746 454 E HN -0.270 8.065 8.360 -0.042 0.000 0.452 455 R N -0.789 119.714 120.500 0.005 0.000 2.083 455 R HA -0.405 nan 4.340 nan 0.000 0.237 455 R C 2.322 178.643 176.300 0.035 0.000 1.137 455 R CA 3.448 59.548 56.100 0.001 0.000 0.951 455 R CB -0.244 30.043 30.300 -0.021 0.000 0.851 455 R HN -0.505 7.734 8.270 -0.052 0.000 0.434 456 Q N -1.293 118.546 119.800 0.064 0.000 2.061 456 Q HA -0.401 nan 4.340 nan 0.000 0.204 456 Q C 2.451 178.497 176.000 0.076 0.000 0.984 456 Q CA 2.968 58.822 55.803 0.084 0.000 0.846 456 Q CB -0.269 28.489 28.738 0.034 0.000 0.902 456 Q HN -0.440 7.869 8.270 0.065 0.000 0.421 457 W N -0.497 120.727 121.300 -0.126 0.000 2.388 457 W HA -0.261 nan 4.660 nan 0.000 0.294 457 W C 0.841 177.301 176.519 -0.099 0.000 1.212 457 W CA 3.328 60.615 57.345 -0.097 0.000 1.271 457 W CB -0.012 29.349 29.460 -0.165 0.000 1.126 457 W HN -0.292 7.976 8.180 0.147 0.000 0.535 458 L N -2.859 118.261 121.223 -0.172 0.000 2.093 458 L HA -0.344 nan 4.340 nan 0.000 0.208 458 L C 1.734 178.368 176.870 -0.395 0.000 1.085 458 L CA 2.474 57.078 54.840 -0.394 0.000 0.755 458 L CB 0.221 42.199 42.059 -0.136 0.000 0.904 458 L HN -0.306 7.890 8.230 0.072 0.077 0.435 459 I N -3.751 116.690 120.570 -0.214 0.000 2.584 459 I HA -0.211 nan 4.170 nan 0.000 0.255 459 I C 0.822 176.841 176.117 -0.163 0.000 1.145 459 I CA 2.177 63.385 61.300 -0.154 0.000 1.462 459 I CB 0.877 38.844 38.000 -0.055 0.000 1.102 459 I HN -0.242 7.889 8.210 -0.131 0.000 0.433 460 E N -2.517 117.594 120.200 -0.150 0.000 4.052 460 E HA 0.444 nan 4.350 nan 0.000 0.219 460 E C -1.752 174.755 176.600 -0.155 0.000 1.166 460 E CA -2.602 53.740 56.400 -0.097 0.000 1.338 460 E CB -0.020 29.715 29.700 0.058 0.000 1.212 460 E HN -0.299 7.974 8.360 -0.145 0.000 0.432 461 P HA -0.201 nan 4.420 nan 0.000 0.219 461 P C 0.432 177.638 177.300 -0.157 0.000 1.146 461 P CA 2.477 65.247 63.100 -0.550 0.000 0.808 461 P CB -0.269 30.930 31.700 -0.833 0.000 0.779 462 E N -1.475 118.646 120.200 -0.130 0.000 2.427 462 E HA -0.174 nan 4.350 nan 0.000 0.196 462 E C 0.695 177.226 176.600 -0.115 0.000 1.028 462 E CA 1.348 57.704 56.400 -0.073 0.000 0.864 462 E CB -1.592 28.071 29.700 -0.061 0.000 0.813 462 E HN 0.484 8.710 8.360 -0.167 0.033 0.514 463 R N -2.008 118.365 120.500 -0.212 0.000 2.276 463 R HA -0.057 nan 4.340 nan 0.000 0.196 463 R C 0.295 176.205 176.300 -0.650 0.000 0.961 463 R CA 0.813 56.635 56.100 -0.463 0.000 1.024 463 R CB 0.890 30.762 30.300 -0.713 0.000 0.940 463 R HN -0.475 7.533 8.270 -0.172 0.158 0.480 464 Y N -0.834 119.497 120.300 0.052 0.000 2.705 464 Y HA 0.141 nan 4.550 nan 0.000 0.355 464 Y C -2.018 173.972 175.900 0.151 0.000 1.039 464 Y CA -1.025 57.147 58.100 0.119 0.000 1.233 464 Y CB 0.004 38.609 38.460 0.242 0.000 1.103 464 Y HN -0.664 7.450 8.280 0.013 0.173 0.624 465 E N 0.292 120.582 120.200 0.150 0.000 2.789 465 E HA 0.111 nan 4.350 nan 0.000 0.208 465 E C -0.914 175.651 176.600 -0.059 0.000 0.988 465 E CA -1.156 55.295 56.400 0.086 0.000 1.092 465 E CB 0.429 30.146 29.700 0.028 0.000 1.066 465 E HN 0.085 8.486 8.360 0.068 0.000 0.465 466 C N 2.245 121.555 119.300 0.017 0.000 2.651 466 C HA -0.013 nan 4.460 nan 0.000 0.410 466 C C 0.237 175.200 174.990 -0.045 0.000 1.372 466 C CA -0.271 58.739 59.018 -0.013 0.000 1.707 466 C CB -0.515 27.239 27.740 0.024 0.000 2.501 466 C HN 0.191 8.428 8.230 0.111 0.060 0.598 467 H N 7.426 126.490 119.070 -0.011 0.000 2.848 467 H HA -0.075 nan 4.556 nan 0.000 0.341 467 H C -0.470 174.796 175.328 -0.103 0.000 1.060 467 H CA 0.353 56.374 56.048 -0.045 0.000 1.444 467 H CB 0.613 30.334 29.762 -0.068 0.000 1.446 467 H HN 0.297 8.645 8.280 0.114 0.000 0.583 468 N N 0.599 119.297 118.700 -0.003 0.000 2.485 468 N HA 0.035 nan 4.740 nan 0.000 0.280 468 N C 1.404 176.720 175.510 -0.324 0.000 1.205 468 N CA -0.971 52.001 53.050 -0.130 0.000 0.959 468 N CB 1.347 39.799 38.487 -0.058 0.000 1.206 468 N HN -0.074 8.669 8.380 0.030 -0.345 0.545 469 V N -5.918 113.661 119.914 -0.557 0.000 2.490 469 V HA -0.148 nan 4.120 nan 0.000 0.250 469 V C 1.280 176.852 176.094 -0.870 0.000 1.061 469 V CA 2.722 64.457 62.300 -0.942 0.000 1.064 469 V CB -0.627 30.647 31.823 -0.914 0.000 0.670 469 V HN 0.328 8.212 8.190 -0.511 0.000 0.461 470 F N 0.459 120.245 119.950 -0.274 0.000 2.206 470 F HA -0.281 nan 4.527 nan 0.000 0.298 470 F C 2.206 177.948 175.800 -0.097 0.000 1.090 470 F CA 2.637 60.562 58.000 -0.124 0.000 1.323 470 F CB -0.948 38.059 39.000 0.012 0.000 1.028 470 F HN -0.487 7.561 8.300 -0.641 -0.132 0.492 471 E N -1.149 119.084 120.200 0.055 0.000 2.077 471 E HA -0.341 nan 4.350 nan 0.000 0.193 471 E C 2.203 178.783 176.600 -0.033 0.000 0.989 471 E CA 2.695 59.121 56.400 0.042 0.000 0.800 471 E CB -0.457 29.281 29.700 0.063 0.000 0.746 471 E HN -0.044 8.692 8.360 0.029 -0.358 0.452 472 Q N -1.299 118.380 119.800 -0.202 0.000 2.083 472 Q HA -0.138 nan 4.340 nan 0.000 0.198 472 Q C 2.095 178.036 176.000 -0.098 0.000 0.969 472 Q CA 2.296 57.954 55.803 -0.242 0.000 0.838 472 Q CB 0.531 28.979 28.738 -0.483 0.000 0.900 472 Q HN -0.417 7.672 8.270 -0.302 0.000 0.436 473 Y N -3.977 116.211 120.300 -0.187 0.000 2.466 473 Y HA 0.106 nan 4.550 nan 0.000 0.272 473 Y C -0.234 175.685 175.900 0.031 0.000 1.169 473 Y CA -2.656 55.325 58.100 -0.198 0.000 1.285 473 Y CB -0.541 37.503 38.460 -0.693 0.000 1.078 473 Y HN -0.145 7.741 8.280 -0.479 0.107 0.523 474 E N 0.908 121.229 120.200 0.200 0.000 2.820 474 E HA -0.555 nan 4.350 nan 0.000 0.251 474 E C 0.932 177.658 176.600 0.211 0.000 0.944 474 E CA 2.041 58.582 56.400 0.235 0.000 0.955 474 E CB -0.185 29.609 29.700 0.157 0.000 0.904 474 E HN -0.502 7.873 8.360 0.114 0.053 0.513 475 G N 6.971 115.909 108.800 0.229 0.000 2.184 475 G HA2 -0.533 nan 3.960 nan 0.000 0.264 475 G HA3 -0.533 nan 3.960 nan 0.000 0.264 475 G C -0.985 174.006 174.900 0.152 0.000 0.975 475 G CA 0.214 45.406 45.100 0.154 0.000 0.642 475 G HN 0.865 9.211 8.290 0.287 0.117 0.536 476 R N -0.383 120.257 120.500 0.233 0.000 2.540 476 R HA 0.225 nan 4.340 nan 0.000 0.287 476 R C -1.408 174.998 176.300 0.176 0.000 0.980 476 R CA -1.493 54.717 56.100 0.182 0.000 0.966 476 R CB 1.543 31.947 30.300 0.174 0.000 1.106 476 R HN -0.097 8.322 8.270 0.341 0.056 0.480 477 E N 2.092 122.330 120.200 0.063 0.000 2.313 477 E HA 0.056 nan 4.350 nan 0.000 0.276 477 E C 0.630 177.219 176.600 -0.018 0.000 1.031 477 E CA -0.214 56.178 56.400 -0.013 0.000 0.857 477 E CB 0.846 30.532 29.700 -0.023 0.000 1.040 477 E HN 0.207 8.596 8.360 0.048 0.000 0.408 478 L N 7.264 128.421 121.223 -0.109 0.000 2.021 478 L HA -0.378 nan 4.340 nan 0.000 0.215 478 L C 1.299 178.113 176.870 -0.092 0.000 1.074 478 L CA 3.497 58.277 54.840 -0.100 0.000 0.760 478 L CB -0.042 41.870 42.059 -0.245 0.000 0.889 478 L HN 0.471 8.584 8.230 -0.196 0.000 0.433 479 S N -2.312 113.337 115.700 -0.084 0.000 2.399 479 S HA -0.339 nan 4.470 nan 0.000 0.231 479 S C 2.074 176.630 174.600 -0.072 0.000 1.022 479 S CA 3.274 61.432 58.200 -0.069 0.000 0.983 479 S CB -0.422 62.757 63.200 -0.036 0.000 0.803 479 S HN -0.236 8.477 8.310 -0.079 -0.451 0.480 480 E N 0.929 121.090 120.200 -0.065 0.000 2.107 480 E HA -0.257 nan 4.350 nan 0.000 0.191 480 E C 1.919 178.451 176.600 -0.114 0.000 0.982 480 E CA 2.856 59.214 56.400 -0.070 0.000 0.809 480 E CB -0.388 29.286 29.700 -0.044 0.000 0.756 480 E HN -0.639 7.788 8.360 -0.054 -0.099 0.459 481 V N 0.452 120.274 119.914 -0.153 0.000 2.358 481 V HA -0.252 nan 4.120 nan 0.000 0.246 481 V C 2.239 178.181 176.094 -0.253 0.000 1.047 481 V CA 4.150 66.276 62.300 -0.291 0.000 1.035 481 V CB -0.704 30.806 31.823 -0.522 0.000 0.658 481 V HN -0.349 7.684 8.190 -0.113 0.090 0.452 482 I N -1.212 119.245 120.570 -0.189 0.000 2.252 482 I HA -0.555 nan 4.170 nan 0.000 0.245 482 I C 1.480 177.519 176.117 -0.130 0.000 1.102 482 I CA 4.394 65.606 61.300 -0.146 0.000 1.385 482 I CB -0.595 37.334 38.000 -0.119 0.000 1.064 482 I HN -0.132 7.979 8.210 -0.165 0.000 0.414 483 A N -1.171 121.574 122.820 -0.124 0.000 1.877 483 A HA -0.337 nan 4.320 nan 0.000 0.216 483 A C 2.283 179.731 177.584 -0.226 0.000 1.186 483 A CA 3.297 55.257 52.037 -0.129 0.000 0.620 483 A CB -1.154 17.791 19.000 -0.093 0.000 0.822 483 A HN -0.139 7.943 8.150 -0.114 0.000 0.443 484 E N 0.482 120.553 120.200 -0.215 0.000 2.118 484 E HA -0.256 nan 4.350 nan 0.000 0.195 484 E C 1.950 178.327 176.600 -0.373 0.000 0.992 484 E CA 2.092 58.335 56.400 -0.261 0.000 0.804 484 E CB 0.042 29.645 29.700 -0.161 0.000 0.741 484 E HN -0.234 8.023 8.360 -0.171 0.000 0.458 485 G N -3.563 105.086 108.800 -0.252 0.000 3.026 485 G HA2 -0.101 nan 3.960 nan 0.000 0.208 485 G HA3 -0.101 nan 3.960 nan 0.000 0.208 485 G C -0.908 173.942 174.900 -0.084 0.000 1.169 485 G CA -0.381 44.632 45.100 -0.146 0.000 0.788 485 G HN -0.586 7.493 8.290 -0.208 0.086 0.533 486 H N -3.504 115.538 119.070 -0.047 0.000 2.839 486 H HA -0.374 nan 4.556 nan 0.000 0.298 486 H C 1.183 176.489 175.328 -0.038 0.000 1.224 486 H CA 0.689 56.713 56.048 -0.041 0.000 1.144 486 H CB -2.444 27.290 29.762 -0.047 0.000 1.372 486 H HN -0.362 7.415 8.280 -0.488 0.211 0.408 487 G N -1.060 107.749 108.800 0.015 0.000 3.414 487 G HA2 0.056 nan 3.960 nan 0.000 0.258 487 G HA3 0.056 nan 3.960 nan 0.000 0.258 487 G C -2.150 172.770 174.900 0.033 0.000 1.348 487 G CA -0.125 44.987 45.100 0.020 0.000 1.319 487 G HN 0.448 8.712 8.290 -0.043 0.000 0.555 488 V N -5.643 114.298 119.914 0.045 0.000 3.001 488 V HA 0.748 nan 4.120 nan 0.000 0.314 488 V C -1.300 174.824 176.094 0.050 0.000 1.099 488 V CA -3.240 59.089 62.300 0.048 0.000 0.989 488 V CB 2.686 34.533 31.823 0.040 0.000 1.040 488 V HN -0.752 7.368 8.190 0.062 0.107 0.434 489 R N 0.970 121.499 120.500 0.049 0.000 2.783 489 R HA 0.183 nan 4.340 nan 0.000 0.276 489 R C 2.329 178.650 176.300 0.034 0.000 1.223 489 R CA -0.319 55.806 56.100 0.042 0.000 1.173 489 R CB 0.659 30.987 30.300 0.046 0.000 1.157 489 R HN 0.635 8.938 8.270 0.055 0.000 0.600 490 S N 1.274 116.989 115.700 0.025 0.000 2.442 490 S HA -0.207 nan 4.470 nan 0.000 0.236 490 S C 0.024 174.636 174.600 0.020 0.000 1.007 490 S CA 2.799 61.010 58.200 0.018 0.000 0.965 490 S CB -0.820 62.385 63.200 0.009 0.000 0.773 490 S HN 0.291 8.616 8.310 0.025 0.000 0.504 491 D N -1.061 119.354 120.400 0.024 0.000 2.371 491 D HA -0.072 nan 4.640 nan 0.000 0.221 491 D C 0.925 177.240 176.300 0.025 0.000 0.986 491 D CA -0.462 53.552 54.000 0.023 0.000 0.899 491 D CB -1.065 39.750 40.800 0.025 0.000 0.902 491 D HN -0.307 8.059 8.370 0.028 0.020 0.530 492 G N -1.103 107.715 108.800 0.030 0.000 2.162 492 G HA2 -0.339 nan 3.960 nan 0.000 0.260 492 G HA3 -0.339 nan 3.960 nan 0.000 0.260 492 G C -0.177 174.740 174.900 0.028 0.000 0.976 492 G CA 1.088 46.206 45.100 0.030 0.000 0.655 492 G HN 0.185 8.312 8.290 0.032 0.183 0.533 493 K N -5.439 114.982 120.400 0.035 0.000 2.611 493 K HA 0.157 nan 4.320 nan 0.000 0.209 493 K C -0.953 175.682 176.600 0.060 0.000 1.658 493 K CA 0.365 56.675 56.287 0.039 0.000 1.080 493 K CB 1.849 34.369 32.500 0.033 0.000 1.430 493 K HN -0.014 8.536 8.250 0.037 -0.278 0.596 494 T N 4.828 119.422 114.554 0.065 0.000 2.817 494 T HA 0.336 nan 4.350 nan 0.000 0.293 494 T C -0.961 173.796 174.700 0.094 0.000 0.964 494 T CA 1.361 63.516 62.100 0.091 0.000 1.085 494 T CB 0.513 69.431 68.868 0.083 0.000 0.921 494 T HN -0.223 8.426 8.240 0.055 -0.376 0.502 495 L N 5.514 126.814 121.223 0.128 0.000 2.461 495 L HA 0.017 nan 4.340 nan 0.000 0.272 495 L C 0.708 177.637 176.870 0.098 0.000 1.197 495 L CA 0.641 55.550 54.840 0.116 0.000 0.836 495 L CB 0.249 42.411 42.059 0.172 0.000 1.105 495 L HN 0.122 8.455 8.230 0.172 0.000 0.477 496 I N 3.162 123.781 120.570 0.081 0.000 2.193 496 I HA -0.338 nan 4.170 nan 0.000 0.240 496 I C 0.061 176.218 176.117 0.066 0.000 1.084 496 I CA 3.567 64.910 61.300 0.072 0.000 1.365 496 I CB 0.004 38.053 38.000 0.081 0.000 1.064 496 I HN -0.012 8.241 8.210 0.072 0.000 0.410 497 A N -3.181 119.694 122.820 0.092 0.000 2.407 497 A HA -0.060 nan 4.320 nan 0.000 0.248 497 A C -0.831 176.824 177.584 0.118 0.000 1.082 497 A CA 0.120 52.222 52.037 0.109 0.000 0.785 497 A CB 0.330 19.435 19.000 0.175 0.000 1.020 497 A HN -0.020 8.188 8.150 0.097 0.000 0.489 498 Q N -1.103 118.623 119.800 -0.122 0.000 2.418 498 Q HA 0.427 nan 4.340 nan 0.000 0.282 498 Q C -2.505 172.930 176.000 -0.942 0.000 1.044 498 Q CA -2.652 52.805 55.803 -0.576 0.000 0.813 498 Q CB 2.473 30.930 28.738 -0.468 0.000 1.428 498 Q HN -0.418 7.785 8.270 -0.112 0.000 0.402 499 P HA 0.120 nan 4.420 nan 0.000 0.261 499 P C -2.387 174.725 177.300 -0.314 0.000 1.352 499 P CA 0.619 62.993 63.100 -1.209 0.000 0.891 499 P CB 0.451 30.845 31.700 -2.177 0.000 1.383 500 H N -7.126 111.833 119.070 -0.186 0.000 3.017 500 H HA 0.236 nan 4.556 nan 0.000 0.346 500 H C -1.326 174.013 175.328 0.019 0.000 1.286 500 H CA -1.408 54.641 56.048 0.003 0.000 1.120 500 H CB 1.817 31.609 29.762 0.049 0.000 1.860 500 H HN -0.768 6.981 8.280 -0.744 0.085 0.542 501 T N -4.645 110.059 114.554 0.249 0.000 3.258 501 T HA 0.121 nan 4.350 nan 0.000 0.263 501 T C 0.557 175.414 174.700 0.261 0.000 0.983 501 T CA -1.194 61.030 62.100 0.207 0.000 0.907 501 T CB -1.238 67.745 68.868 0.193 0.000 1.096 501 T HN 0.299 8.704 8.240 0.275 0.000 0.556 502 R N 2.034 122.814 120.500 0.466 0.000 2.549 502 R HA 0.158 nan 4.340 nan 0.000 0.267 502 R C 0.895 177.322 176.300 0.212 0.000 1.045 502 R CA -0.561 55.672 56.100 0.222 0.000 1.115 502 R CB 1.311 31.616 30.300 0.008 0.000 1.121 502 R HN -0.294 8.476 8.270 0.996 0.098 0.543 503 G N -1.743 107.108 108.800 0.086 0.000 2.985 503 G HA2 -0.080 nan 3.960 nan 0.000 0.209 503 G HA3 -0.080 nan 3.960 nan 0.000 0.209 503 G C -0.977 173.972 174.900 0.081 0.000 1.165 503 G CA -0.116 45.025 45.100 0.067 0.000 0.776 503 G HN 0.334 8.645 8.290 0.035 0.000 0.541 504 D N -3.791 116.660 120.400 0.084 0.000 2.531 504 D HA 0.035 nan 4.640 nan 0.000 0.244 504 D C -1.196 175.158 176.300 0.091 0.000 1.090 504 D CA -1.724 52.312 54.000 0.060 0.000 0.989 504 D CB 1.097 41.899 40.800 0.003 0.000 1.433 504 D HN -0.799 7.558 8.370 0.073 0.057 0.492 505 N N -3.687 115.057 118.700 0.074 0.000 2.756 505 N HA -0.382 nan 4.740 nan 0.000 0.248 505 N C -1.418 174.264 175.510 0.287 0.000 1.062 505 N CA 0.775 53.878 53.050 0.089 0.000 0.696 505 N CB -0.828 37.655 38.487 -0.006 0.000 0.946 505 N HN 0.276 8.685 8.380 0.049 0.000 0.548 506 L N -1.250 120.118 121.223 0.242 0.000 2.349 506 L HA 0.109 nan 4.340 nan 0.000 0.275 506 L C 0.073 177.112 176.870 0.282 0.000 1.115 506 L CA -0.311 54.696 54.840 0.278 0.000 0.820 506 L CB 0.441 42.603 42.059 0.172 0.000 1.135 506 L HN -0.350 7.975 8.230 0.159 0.000 0.445 507 W N 3.921 125.257 121.300 0.060 0.000 2.202 507 W HA 0.048 nan 4.660 nan 0.000 0.332 507 W C -0.381 176.191 176.519 0.088 0.000 1.263 507 W CA -0.261 57.144 57.345 0.100 0.000 1.223 507 W CB 0.700 30.277 29.460 0.195 0.000 1.128 507 W HN 0.670 9.666 8.180 0.653 -0.424 0.573 508 T N -3.005 111.720 114.554 0.285 0.000 2.883 508 T HA 0.667 nan 4.350 nan 0.000 0.284 508 T C 0.989 175.792 174.700 0.171 0.000 1.041 508 T CA -2.402 59.804 62.100 0.177 0.000 1.007 508 T CB 3.220 72.144 68.868 0.094 0.000 1.220 508 T HN 0.302 8.977 8.240 0.235 -0.294 0.552 509 L N -0.155 121.128 121.223 0.101 0.000 2.042 509 L HA -0.383 nan 4.340 nan 0.000 0.210 509 L C 2.032 178.939 176.870 0.062 0.000 1.076 509 L CA 4.277 59.157 54.840 0.065 0.000 0.749 509 L CB -0.514 41.561 42.059 0.028 0.000 0.893 509 L HN 0.426 8.706 8.230 0.083 0.000 0.432 510 E N -1.913 118.317 120.200 0.050 0.000 2.118 510 E HA -0.383 nan 4.350 nan 0.000 0.195 510 E C 2.630 179.255 176.600 0.042 0.000 0.992 510 E CA 3.057 59.476 56.400 0.032 0.000 0.804 510 E CB -1.125 28.584 29.700 0.016 0.000 0.741 510 E HN 0.068 8.456 8.360 0.047 0.000 0.458 511 D N -0.792 119.648 120.400 0.066 0.000 2.144 511 D HA -0.197 nan 4.640 nan 0.000 0.200 511 D C 2.430 178.846 176.300 0.193 0.000 0.978 511 D CA 2.942 56.975 54.000 0.055 0.000 0.833 511 D CB -0.317 40.468 40.800 -0.025 0.000 0.961 511 D HN -0.709 7.612 8.370 0.083 0.099 0.470 512 I N -0.350 120.363 120.570 0.239 0.000 2.233 512 I HA -0.352 nan 4.170 nan 0.000 0.243 512 I C 2.161 178.319 176.117 0.069 0.000 1.093 512 I CA 1.564 62.971 61.300 0.177 0.000 1.380 512 I CB -0.717 37.317 38.000 0.056 0.000 1.067 512 I HN -0.463 7.770 8.210 0.212 0.104 0.413 513 K N 0.199 120.623 120.400 0.040 0.000 2.113 513 K HA -0.384 nan 4.320 nan 0.000 0.208 513 K C 2.543 179.152 176.600 0.015 0.000 1.047 513 K CA 3.396 59.689 56.287 0.010 0.000 0.928 513 K CB -0.277 32.227 32.500 0.006 0.000 0.716 513 K HN 0.232 8.512 8.250 0.050 0.000 0.446 514 R N -1.023 119.496 120.500 0.032 0.000 2.117 514 R HA -0.255 nan 4.340 nan 0.000 0.243 514 R C 1.526 177.849 176.300 0.038 0.000 1.143 514 R CA 2.667 58.784 56.100 0.029 0.000 0.968 514 R CB -0.158 30.157 30.300 0.025 0.000 0.863 514 R HN -0.425 7.852 8.270 0.043 0.018 0.444 515 A N -4.252 118.601 122.820 0.055 0.000 2.121 515 A HA -0.048 nan 4.320 nan 0.000 0.218 515 A C 0.476 178.061 177.584 0.001 0.000 1.154 515 A CA 0.086 52.151 52.037 0.047 0.000 0.679 515 A CB 0.136 19.168 19.000 0.053 0.000 0.795 515 A HN -0.481 7.585 8.150 0.071 0.127 0.458 516 G N -1.682 107.108 108.800 -0.016 0.000 2.249 516 G HA2 -0.333 nan 3.960 nan 0.000 0.273 516 G HA3 -0.333 nan 3.960 nan 0.000 0.273 516 G C -0.597 174.261 174.900 -0.070 0.000 1.036 516 G CA 0.401 45.480 45.100 -0.035 0.000 0.824 516 G HN -0.336 7.781 8.290 -0.007 0.169 0.504 517 C N 1.417 120.652 119.300 -0.109 0.000 2.555 517 C HA 0.163 nan 4.460 nan 0.000 0.385 517 C C -1.094 173.755 174.990 -0.236 0.000 1.296 517 C CA 0.661 59.573 59.018 -0.177 0.000 1.757 517 C CB -0.971 26.638 27.740 -0.218 0.000 2.445 517 C HN 0.076 8.215 8.230 -0.093 0.034 0.571 518 V N 8.314 128.109 119.914 -0.197 0.000 2.555 518 V HA 0.483 nan 4.120 nan 0.000 0.302 518 V C -0.812 175.212 176.094 -0.116 0.000 1.038 518 V CA -1.313 60.906 62.300 -0.135 0.000 0.887 518 V CB 2.314 34.115 31.823 -0.036 0.000 0.991 518 V HN 0.193 8.289 8.190 -0.157 0.000 0.434 519 F N 6.257 126.298 119.950 0.151 0.000 2.456 519 F HA 0.364 nan 4.527 nan 0.000 0.358 519 F C -1.127 174.779 175.800 0.178 0.000 1.095 519 F CA -1.767 56.383 58.000 0.250 0.000 1.216 519 F CB 0.143 39.334 39.000 0.319 0.000 1.125 519 F HN 0.109 8.535 8.300 0.210 0.000 0.549 520 P HA 0.170 nan 4.420 nan 0.000 0.289 520 P C -1.722 175.646 177.300 0.113 0.000 1.300 520 P CA -1.272 61.903 63.100 0.125 0.000 0.828 520 P CB 1.279 32.974 31.700 -0.008 0.000 1.235 521 D N -1.462 118.966 120.400 0.046 0.000 2.454 521 D HA 0.230 nan 4.640 nan 0.000 0.225 521 D C 0.730 177.013 176.300 -0.028 0.000 1.081 521 D CA -3.688 50.339 54.000 0.045 0.000 0.864 521 D CB 0.401 41.240 40.800 0.066 0.000 1.040 521 D HN 0.044 8.434 8.370 0.033 0.000 0.517 522 P HA -0.073 nan 4.420 nan 0.000 0.225 522 P C 0.459 177.893 177.300 0.225 0.000 1.148 522 P CA 1.261 64.305 63.100 -0.093 0.000 0.779 522 P CB 0.358 31.837 31.700 -0.369 0.000 0.780 523 L N -2.744 118.622 121.223 0.239 0.000 2.592 523 L HA 0.130 nan 4.340 nan 0.000 0.227 523 L C 1.131 178.166 176.870 0.274 0.000 1.127 523 L CA 0.060 55.132 54.840 0.386 0.000 0.884 523 L CB -0.978 41.207 42.059 0.211 0.000 1.065 523 L HN -0.226 8.291 8.230 0.146 -0.199 0.457 524 A N -0.309 122.584 122.820 0.122 0.000 2.121 524 A HA -0.194 nan 4.320 nan 0.000 0.218 524 A C 0.822 178.403 177.584 -0.006 0.000 1.154 524 A CA 2.407 54.477 52.037 0.054 0.000 0.679 524 A CB -0.633 18.379 19.000 0.021 0.000 0.795 524 A HN -0.364 7.749 8.150 0.096 0.094 0.458 525 K N -2.728 117.615 120.400 -0.095 0.000 2.444 525 K HA -0.126 nan 4.320 nan 0.000 0.193 525 K C -0.102 176.242 176.600 -0.427 0.000 1.024 525 K CA 0.634 56.735 56.287 -0.309 0.000 1.077 525 K CB -0.087 32.111 32.500 -0.505 0.000 0.833 525 K HN -0.396 7.777 8.250 -0.044 0.050 0.517 526 F N 0.000 119.954 119.950 0.007 0.000 2.286 526 F HA 0.000 nan 4.527 nan 0.000 0.279 526 F CA 0.000 58.000 58.000 0.001 0.000 1.383 526 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 526 F HN 0.000 8.243 8.300 0.172 0.160 0.574