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 2j3m_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKQSKMLIPT LXXXXXXXEV LSHQILLRAG YIRQVAAGIY SYLPLANRVL DATA SEQUENCE EKLKTIMREE FEKIDAVEML MPALLPAELW KESGRYETYG PNLYRLKDRN DATA SEQUENCE DRDYILGPTH EETFTELIRD EINSYKRLPL NLYQIQTKYR DEKRSRSGLL DATA SEQUENCE RGREFIMKDG YSFHADEASL DQSYRDYEKA YSRIFERCGL EFRAIIGDGG DATA SEQUENCE AMGGKDSKEF MAISEIGEDT ICYSTESDYA ANLEMATSLY TPKKSHETQL DATA SEQUENCE DLEKIATPEV GTIAEVANFF EVEPQRIIKS VLFIADEEPV MVLVRGDHDV DATA SEQUENCE NDVKLKNFLG ADFLDEATEE DARRVLGAGF GSIGPVNVSE DVKIYADLAV DATA SEQUENCE QDLANAIVGA NEDGYHLTNV NPDRDFQPIS YEDLRFVQEG DPSPDGNGVL DATA SEQUENCE AFTKGIEIGH IFKLGTRYSD AMGATVLDEN GREKSVIMGC YGIGVSRLLS DATA SEQUENCE AIVEQNADER GINWPTGIAP FDLHVVQMNV KDEYQTKLSQ EVEAMMTEAG DATA SEQUENCE YEVLVDDRNE RAGVKFADAD LIGCPIRITV GKKAVDGVVE VKIKRTGEML DATA SEQUENCE EVRKEELEST LSILM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.212 176.300 -0.147 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.052 0.000 0.988 1 M CB 0.000 32.638 32.600 0.063 0.000 1.302 2 K N 2.969 123.319 120.400 -0.084 0.000 2.316 2 K HA 0.150 4.457 4.320 -0.022 0.000 0.289 2 K C 0.594 177.136 176.600 -0.097 0.000 1.070 2 K CA -0.206 56.029 56.287 -0.087 0.000 0.928 2 K CB 1.103 33.574 32.500 -0.048 0.000 1.039 2 K HN 0.615 nan 8.250 nan 0.000 0.480 3 Q N 2.031 121.756 119.800 -0.125 0.000 2.181 3 Q HA -0.214 4.113 4.340 -0.022 0.000 0.205 3 Q C 1.640 177.607 176.000 -0.054 0.000 0.980 3 Q CA 2.121 57.858 55.803 -0.111 0.000 0.862 3 Q CB 0.098 28.781 28.738 -0.091 0.000 0.905 3 Q HN 0.781 nan 8.270 nan 0.000 0.429 4 S N -0.306 115.368 115.700 -0.042 0.000 2.442 4 S HA -0.102 4.356 4.470 -0.022 0.000 0.236 4 S C 1.445 176.034 174.600 -0.020 0.000 1.007 4 S CA 0.823 59.007 58.200 -0.026 0.000 0.965 4 S CB -0.046 63.139 63.200 -0.025 0.000 0.773 4 S HN 0.236 nan 8.310 nan 0.000 0.504 5 K N 0.464 120.851 120.400 -0.022 0.000 2.393 5 K HA 0.362 4.669 4.320 -0.022 0.000 0.193 5 K C 0.343 176.940 176.600 -0.005 0.000 1.026 5 K CA 0.196 56.476 56.287 -0.011 0.000 1.064 5 K CB -0.087 32.407 32.500 -0.010 0.000 0.833 5 K HN 0.532 nan 8.250 nan 0.000 0.521 6 M N 0.871 120.465 119.600 -0.009 0.000 2.472 6 M HA 0.252 4.719 4.480 -0.022 0.000 0.331 6 M C -0.411 175.889 176.300 -0.001 0.000 1.170 6 M CA -1.172 54.129 55.300 0.001 0.000 1.009 6 M CB 1.723 34.325 32.600 0.003 0.000 1.672 6 M HN -0.210 nan 8.290 nan 0.000 0.453 7 L N 4.581 125.806 121.223 0.004 0.000 2.282 7 L HA 0.468 4.795 4.340 -0.022 0.000 0.287 7 L C -1.248 175.621 176.870 -0.001 0.000 1.075 7 L CA 0.510 55.354 54.840 0.006 0.000 0.839 7 L CB -0.256 41.810 42.059 0.013 0.000 1.219 7 L HN 0.575 nan 8.230 nan 0.000 0.434 8 I N 7.788 128.358 120.570 0.000 0.000 2.698 8 I HA 0.293 4.450 4.170 -0.022 0.000 0.276 8 I C -2.178 173.952 176.117 0.022 0.000 1.166 8 I CA -1.173 60.126 61.300 -0.002 0.000 1.101 8 I CB 1.412 39.406 38.000 -0.009 0.000 1.305 8 I HN 0.493 nan 8.210 nan 0.000 0.526 9 P HA 0.131 nan 4.420 nan 0.000 0.241 9 P C 0.166 177.496 177.300 0.050 0.000 1.780 9 P CA -0.119 63.003 63.100 0.036 0.000 1.111 9 P CB -0.154 31.567 31.700 0.035 0.000 1.852 10 T N 1.196 115.783 114.554 0.055 0.000 2.918 10 T HA 0.476 4.813 4.350 -0.022 0.000 0.302 10 T C 0.399 175.129 174.700 0.049 0.000 1.045 10 T CA -0.472 61.668 62.100 0.067 0.000 1.114 10 T CB 0.898 69.812 68.868 0.076 0.000 0.965 10 T HN 0.105 nan 8.240 nan 0.000 0.540 20 V N 4.045 123.983 119.914 0.041 0.000 2.923 20 V HA -0.231 3.876 4.120 -0.022 0.000 0.286 20 V C 2.012 178.123 176.094 0.028 0.000 1.376 20 V CA 1.330 63.645 62.300 0.024 0.000 1.423 20 V CB 0.227 32.057 31.823 0.012 0.000 0.865 20 V HN 0.447 nan 8.190 nan 0.000 0.514 21 L N 5.601 126.822 121.223 -0.003 0.000 2.042 21 L HA -0.153 4.174 4.340 -0.022 0.000 0.210 21 L C 2.481 179.326 176.870 -0.041 0.000 1.076 21 L CA 2.624 57.449 54.840 -0.025 0.000 0.749 21 L CB -0.657 41.377 42.059 -0.041 0.000 0.893 21 L HN 0.921 nan 8.230 nan 0.000 0.432 22 S N -1.891 113.785 115.700 -0.041 0.000 2.382 22 S HA -0.294 4.163 4.470 -0.022 0.000 0.228 22 S C 2.182 176.766 174.600 -0.027 0.000 1.027 22 S CA 1.265 59.426 58.200 -0.065 0.000 0.991 22 S CB -1.197 61.968 63.200 -0.058 0.000 0.823 22 S HN 0.766 nan 8.310 nan 0.000 0.469 23 H N 1.154 120.173 119.070 -0.086 0.000 2.326 23 H HA 0.010 4.553 4.556 -0.021 0.000 0.301 23 H C 2.370 177.667 175.328 -0.052 0.000 1.081 23 H CA 1.662 57.656 56.048 -0.090 0.000 1.334 23 H CB -0.206 29.501 29.762 -0.092 0.000 1.385 23 H HN 0.525 nan 8.280 nan 0.000 0.504 24 Q N -0.112 119.648 119.800 -0.067 0.000 2.096 24 Q HA -0.159 4.168 4.340 -0.022 0.000 0.204 24 Q C 2.332 178.273 176.000 -0.099 0.000 0.982 24 Q CA 1.583 57.334 55.803 -0.088 0.000 0.850 24 Q CB 0.041 28.764 28.738 -0.026 0.000 0.901 24 Q HN 0.367 nan 8.270 nan 0.000 0.422 25 I N 0.095 120.607 120.570 -0.096 0.000 2.480 25 I HA -0.162 3.995 4.170 -0.022 0.000 0.251 25 I C 1.862 177.920 176.117 -0.097 0.000 1.124 25 I CA 0.859 62.100 61.300 -0.099 0.000 1.444 25 I CB -0.023 37.894 38.000 -0.138 0.000 1.098 25 I HN 0.126 nan 8.210 nan 0.000 0.428 26 L N -0.689 120.458 121.223 -0.126 0.000 2.131 26 L HA -0.219 4.108 4.340 -0.022 0.000 0.210 26 L C 2.372 179.259 176.870 0.029 0.000 1.092 26 L CA 1.194 55.998 54.840 -0.059 0.000 0.759 26 L CB -0.498 41.535 42.059 -0.043 0.000 0.903 26 L HN 0.251 nan 8.230 nan 0.000 0.435 27 L N -0.752 120.406 121.223 -0.109 0.000 2.007 27 L HA -0.181 4.146 4.340 -0.022 0.000 0.205 27 L C 2.775 179.650 176.870 0.008 0.000 1.073 27 L CA 1.183 55.971 54.840 -0.087 0.000 0.744 27 L CB -0.467 41.465 42.059 -0.212 0.000 0.898 27 L HN 0.195 nan 8.230 nan 0.000 0.435 28 R N 0.563 121.061 120.500 -0.004 0.000 2.120 28 R HA -0.139 4.188 4.340 -0.022 0.000 0.234 28 R C 1.993 178.344 176.300 0.084 0.000 1.123 28 R CA 1.403 57.521 56.100 0.029 0.000 0.975 28 R CB -0.175 30.131 30.300 0.009 0.000 0.866 28 R HN 0.336 nan 8.270 nan 0.000 0.446 29 A N -0.410 122.494 122.820 0.140 0.000 2.208 29 A HA 0.241 4.548 4.320 -0.022 0.000 0.209 29 A C 1.229 179.003 177.584 0.316 0.000 1.161 29 A CA 0.590 52.788 52.037 0.268 0.000 0.782 29 A CB -0.134 19.081 19.000 0.358 0.000 0.816 29 A HN 0.578 nan 8.150 nan 0.000 0.477 30 G N -2.434 106.506 108.800 0.233 0.000 2.203 30 G HA2 -0.299 3.648 3.960 -0.022 0.000 0.231 30 G HA3 -0.299 3.648 3.960 -0.022 0.000 0.231 30 G C 0.272 175.243 174.900 0.119 0.000 1.058 30 G CA 0.521 45.702 45.100 0.135 0.000 0.781 30 G HN 0.475 nan 8.290 nan 0.000 0.496 31 Y N -0.443 119.913 120.300 0.094 0.000 2.464 31 Y HA 0.463 5.000 4.550 -0.022 0.000 0.288 31 Y C 1.752 177.733 175.900 0.135 0.000 1.133 31 Y CA 1.074 59.255 58.100 0.136 0.000 1.223 31 Y CB 0.517 39.084 38.460 0.177 0.000 1.187 31 Y HN 0.579 nan 8.280 nan 0.000 0.539 32 I N -2.362 118.361 120.570 0.254 0.000 2.934 32 I HA 0.710 4.867 4.170 -0.022 0.000 0.306 32 I C -0.957 175.230 176.117 0.116 0.000 1.110 32 I CA -1.129 60.274 61.300 0.173 0.000 1.019 32 I CB 2.163 40.253 38.000 0.150 0.000 1.227 32 I HN -0.357 nan 8.210 nan 0.000 0.434 33 R N 2.223 122.799 120.500 0.128 0.000 2.836 33 R HA 0.463 4.790 4.340 -0.022 0.000 0.269 33 R C -1.503 174.939 176.300 0.236 0.000 1.010 33 R CA -0.805 55.379 56.100 0.139 0.000 0.930 33 R CB 2.004 32.355 30.300 0.085 0.000 1.218 33 R HN 0.874 nan 8.270 nan 0.000 0.473 34 Q N 1.107 121.043 119.800 0.227 0.000 2.325 34 Q HA 0.322 4.649 4.340 -0.022 0.000 0.262 34 Q C -0.278 175.739 176.000 0.029 0.000 0.968 34 Q CA -0.341 55.575 55.803 0.189 0.000 0.877 34 Q CB 1.662 30.561 28.738 0.268 0.000 1.253 34 Q HN 0.381 nan 8.270 nan 0.000 0.448 35 V N 2.614 122.489 119.914 -0.064 0.000 2.599 35 V HA 0.280 4.387 4.120 -0.022 0.000 0.245 35 V C 0.521 176.578 176.094 -0.062 0.000 1.046 35 V CA 1.352 63.620 62.300 -0.053 0.000 1.065 35 V CB 0.128 31.915 31.823 -0.060 0.000 0.703 35 V HN 0.813 nan 8.190 nan 0.000 0.464 36 A N -0.969 121.779 122.820 -0.119 0.000 2.588 36 A HA 0.818 5.125 4.320 -0.022 0.000 0.290 36 A C -0.428 177.066 177.584 -0.150 0.000 1.136 36 A CA -0.134 51.850 52.037 -0.088 0.000 0.681 36 A CB 0.665 19.631 19.000 -0.057 0.000 1.282 36 A HN 0.603 nan 8.150 nan 0.000 0.421 37 A N -0.461 122.311 122.820 -0.080 0.000 2.561 37 A HA 0.468 4.775 4.320 -0.022 0.000 0.251 37 A C 1.645 179.142 177.584 -0.145 0.000 1.062 37 A CA 1.381 53.372 52.037 -0.077 0.000 0.761 37 A CB -1.135 17.861 19.000 -0.008 0.000 0.986 37 A HN 2.840 nan 8.150 nan 0.000 0.510 38 G N 1.460 110.105 108.800 -0.258 0.000 2.179 38 G HA2 -0.226 3.721 3.960 -0.022 0.000 0.260 38 G HA3 -0.226 3.721 3.960 -0.022 0.000 0.260 38 G C 0.036 174.646 174.900 -0.484 0.000 0.977 38 G CA 0.489 45.472 45.100 -0.195 0.000 0.641 38 G HN 1.018 nan 8.290 nan 0.000 0.533 39 I N 0.235 120.298 120.570 -0.844 0.000 2.468 39 I HA 0.517 4.674 4.170 -0.022 0.000 0.285 39 I C -0.690 175.001 176.117 -0.710 0.000 1.039 39 I CA -1.074 59.911 61.300 -0.525 0.000 1.074 39 I CB 1.383 39.258 38.000 -0.207 0.000 1.228 39 I HN 0.051 nan 8.210 nan 0.000 0.436 40 Y N 3.118 123.360 120.300 -0.098 0.000 2.462 40 Y HA 0.465 5.002 4.550 -0.022 0.000 0.346 40 Y C 0.454 176.136 175.900 -0.363 0.000 0.976 40 Y CA -0.996 56.996 58.100 -0.179 0.000 1.044 40 Y CB 2.196 40.551 38.460 -0.174 0.000 1.230 40 Y HN 0.508 nan 8.280 nan 0.000 0.455 41 S N 0.757 116.388 115.700 -0.115 0.000 2.562 41 S HA 0.492 4.949 4.470 -0.022 0.000 0.275 41 S C -1.301 173.172 174.600 -0.211 0.000 1.281 41 S CA -0.786 57.318 58.200 -0.160 0.000 1.045 41 S CB 0.270 63.461 63.200 -0.016 0.000 0.962 41 S HN 0.512 nan 8.310 nan 0.000 0.503 42 Y N 2.134 122.514 120.300 0.134 0.000 2.385 42 Y HA 0.400 4.936 4.550 -0.022 0.000 0.341 42 Y C 0.500 176.446 175.900 0.078 0.000 0.965 42 Y CA -1.000 57.173 58.100 0.121 0.000 1.180 42 Y CB 0.312 38.835 38.460 0.104 0.000 1.139 42 Y HN 0.484 nan 8.280 nan 0.000 0.502 43 L N 5.064 126.398 121.223 0.185 0.000 2.468 43 L HA 0.091 4.418 4.340 -0.022 0.000 0.253 43 L C -1.194 175.708 176.870 0.054 0.000 1.237 43 L CA -1.629 53.268 54.840 0.094 0.000 0.823 43 L CB 0.092 42.186 42.059 0.057 0.000 1.124 43 L HN 0.358 nan 8.230 nan 0.000 0.504 44 P HA -0.226 nan 4.420 nan 0.000 0.218 44 P C 1.528 178.774 177.300 -0.089 0.000 1.154 44 P CA 1.221 64.309 63.100 -0.021 0.000 0.872 44 P CB 0.144 31.839 31.700 -0.007 0.000 0.790 45 L N -1.130 119.981 121.223 -0.186 0.000 2.072 45 L HA -0.043 4.284 4.340 -0.022 0.000 0.205 45 L C 2.387 179.114 176.870 -0.238 0.000 1.079 45 L CA 1.840 56.441 54.840 -0.398 0.000 0.752 45 L CB -1.954 39.528 42.059 -0.963 0.000 0.906 45 L HN -0.103 nan 8.230 nan 0.000 0.436 46 A N -0.519 122.309 122.820 0.013 0.000 1.873 46 A HA -0.270 4.037 4.320 -0.022 0.000 0.215 46 A C 2.193 179.815 177.584 0.062 0.000 1.186 46 A CA 1.863 54.070 52.037 0.283 0.000 0.616 46 A CB -0.900 18.365 19.000 0.441 0.000 0.823 46 A HN 0.510 nan 8.150 nan 0.000 0.442 47 N N -0.396 118.325 118.700 0.034 0.000 2.091 47 N HA -0.217 4.510 4.740 -0.022 0.000 0.193 47 N C 1.883 177.319 175.510 -0.125 0.000 1.021 47 N CA 2.047 55.066 53.050 -0.050 0.000 0.862 47 N CB -0.220 38.264 38.487 -0.005 0.000 1.018 47 N HN 0.531 nan 8.380 nan 0.000 0.429 48 R N -0.497 119.901 120.500 -0.170 0.000 2.075 48 R HA -0.041 4.286 4.340 -0.022 0.000 0.232 48 R C 2.120 178.259 176.300 -0.269 0.000 1.126 48 R CA 1.327 57.272 56.100 -0.258 0.000 0.963 48 R CB -0.451 29.604 30.300 -0.409 0.000 0.858 48 R HN 0.125 nan 8.270 nan 0.000 0.435 49 V N 1.802 121.553 119.914 -0.273 0.000 2.295 49 V HA -0.239 3.868 4.120 -0.022 0.000 0.246 49 V C 2.397 178.351 176.094 -0.233 0.000 1.049 49 V CA 1.684 63.781 62.300 -0.339 0.000 1.024 49 V CB -0.526 31.025 31.823 -0.455 0.000 0.648 49 V HN 0.275 nan 8.190 nan 0.000 0.447 50 L N -0.228 120.886 121.223 -0.182 0.000 2.043 50 L HA -0.216 4.111 4.340 -0.022 0.000 0.212 50 L C 2.772 179.554 176.870 -0.146 0.000 1.075 50 L CA 1.574 56.310 54.840 -0.174 0.000 0.752 50 L CB -0.661 41.249 42.059 -0.249 0.000 0.891 50 L HN 0.362 nan 8.230 nan 0.000 0.432 51 E N 0.103 120.213 120.200 -0.149 0.000 2.150 51 E HA -0.182 4.156 4.350 -0.022 0.000 0.193 51 E C 2.154 178.679 176.600 -0.126 0.000 0.985 51 E CA 0.977 57.304 56.400 -0.123 0.000 0.814 51 E CB -0.018 29.610 29.700 -0.122 0.000 0.752 51 E HN 0.444 nan 8.360 nan 0.000 0.466 52 K N 0.476 120.780 120.400 -0.160 0.000 2.057 52 K HA -0.024 4.283 4.320 -0.022 0.000 0.206 52 K C 2.304 178.822 176.600 -0.137 0.000 1.050 52 K CA 0.674 56.867 56.287 -0.157 0.000 0.935 52 K CB -0.096 32.285 32.500 -0.199 0.000 0.715 52 K HN 0.031 nan 8.250 nan 0.000 0.439 53 L N 1.043 122.186 121.223 -0.134 0.000 1.976 53 L HA -0.252 4.075 4.340 -0.022 0.000 0.209 53 L C 2.258 179.063 176.870 -0.108 0.000 1.071 53 L CA 1.551 56.322 54.840 -0.115 0.000 0.746 53 L CB -0.538 41.467 42.059 -0.090 0.000 0.890 53 L HN 0.161 nan 8.230 nan 0.000 0.432 54 K N -0.421 119.933 120.400 -0.076 0.000 2.052 54 K HA -0.222 4.085 4.320 -0.022 0.000 0.215 54 K C 2.037 178.614 176.600 -0.038 0.000 1.053 54 K CA 2.234 58.503 56.287 -0.029 0.000 0.934 54 K CB -0.539 31.951 32.500 -0.017 0.000 0.717 54 K HN 0.334 nan 8.250 nan 0.000 0.450 55 T N 1.620 116.133 114.554 -0.067 0.000 2.746 55 T HA -0.113 4.224 4.350 -0.022 0.000 0.267 55 T C 1.956 176.586 174.700 -0.117 0.000 1.039 55 T CA 1.221 63.276 62.100 -0.074 0.000 1.142 55 T CB -0.208 68.610 68.868 -0.083 0.000 0.866 55 T HN 0.153 nan 8.240 nan 0.000 0.444 56 I N 0.724 121.202 120.570 -0.154 0.000 2.163 56 I HA -0.217 3.940 4.170 -0.022 0.000 0.243 56 I C 2.548 178.463 176.117 -0.336 0.000 1.085 56 I CA 1.422 62.594 61.300 -0.213 0.000 1.347 56 I CB -0.350 37.528 38.000 -0.203 0.000 1.044 56 I HN 0.269 nan 8.210 nan 0.000 0.408 57 M N -0.201 119.180 119.600 -0.365 0.000 2.065 57 M HA -0.227 4.240 4.480 -0.022 0.000 0.259 57 M C 2.501 178.494 176.300 -0.512 0.000 1.069 57 M CA 1.892 56.823 55.300 -0.614 0.000 1.110 57 M CB -0.588 31.832 32.600 -0.300 0.000 1.328 57 M HN 0.106 nan 8.290 nan 0.000 0.405 58 R N 0.336 120.778 120.500 -0.098 0.000 2.091 58 R HA -0.160 4.167 4.340 -0.022 0.000 0.238 58 R C 2.046 178.333 176.300 -0.021 0.000 1.136 58 R CA 1.644 57.799 56.100 0.091 0.000 0.959 58 R CB -0.448 29.928 30.300 0.126 0.000 0.856 58 R HN 0.519 nan 8.270 nan 0.000 0.437 59 E N 0.163 120.294 120.200 -0.116 0.000 2.085 59 E HA -0.189 4.148 4.350 -0.022 0.000 0.194 59 E C 1.927 178.421 176.600 -0.177 0.000 0.994 59 E CA 0.946 57.272 56.400 -0.124 0.000 0.801 59 E CB 0.071 29.691 29.700 -0.132 0.000 0.743 59 E HN 0.274 nan 8.360 nan 0.000 0.453 60 E N 0.026 120.022 120.200 -0.340 0.000 2.112 60 E HA -0.096 4.242 4.350 -0.022 0.000 0.190 60 E C 1.844 178.247 176.600 -0.329 0.000 0.979 60 E CA 0.742 56.895 56.400 -0.411 0.000 0.814 60 E CB -0.139 29.175 29.700 -0.642 0.000 0.762 60 E HN 0.247 nan 8.360 nan 0.000 0.460 61 F N 1.277 121.102 119.950 -0.209 0.000 2.259 61 F HA -0.035 4.480 4.527 -0.019 0.000 0.298 61 F C 2.408 178.131 175.800 -0.128 0.000 1.088 61 F CA 0.749 58.594 58.000 -0.257 0.000 1.358 61 F CB -0.801 37.928 39.000 -0.452 0.000 1.040 61 F HN 0.042 nan 8.300 nan 0.000 0.505 62 E N 1.270 121.531 120.200 0.101 0.000 2.097 62 E HA -0.237 4.100 4.350 -0.022 0.000 0.196 62 E C 1.897 178.506 176.600 0.014 0.000 1.000 62 E CA 1.764 58.204 56.400 0.066 0.000 0.804 62 E CB -0.288 29.433 29.700 0.035 0.000 0.740 62 E HN 0.284 nan 8.360 nan 0.000 0.454 63 K N -0.138 120.248 120.400 -0.024 0.000 2.209 63 K HA -0.065 4.242 4.320 -0.022 0.000 0.204 63 K C 1.906 178.474 176.600 -0.052 0.000 1.048 63 K CA 1.437 57.699 56.287 -0.043 0.000 0.940 63 K CB -0.326 32.134 32.500 -0.067 0.000 0.729 63 K HN 0.487 nan 8.250 nan 0.000 0.451 64 I N -2.508 118.018 120.570 -0.073 0.000 3.928 64 I HA 0.134 4.291 4.170 -0.022 0.000 0.335 64 I C -0.977 175.075 176.117 -0.108 0.000 1.325 64 I CA -0.181 61.043 61.300 -0.126 0.000 1.107 64 I CB 0.294 38.145 38.000 -0.249 0.000 1.014 64 I HN -0.066 nan 8.210 nan 0.000 0.400 65 D N 1.831 122.207 120.400 -0.040 0.000 2.837 65 D HA -0.187 4.440 4.640 -0.022 0.000 0.230 65 D C 0.488 176.795 176.300 0.011 0.000 1.152 65 D CA 1.113 55.113 54.000 0.001 0.000 0.736 65 D CB -1.217 39.587 40.800 0.007 0.000 1.084 65 D HN 0.660 nan 8.370 nan 0.000 0.429 66 A N 0.209 123.025 122.820 -0.007 0.000 2.354 66 A HA 0.499 4.806 4.320 -0.022 0.000 0.281 66 A C 0.439 178.209 177.584 0.311 0.000 1.174 66 A CA -0.299 51.782 52.037 0.074 0.000 0.828 66 A CB 0.928 19.813 19.000 -0.192 0.000 1.099 66 A HN 0.081 nan 8.150 nan 0.000 0.516 67 V N 3.835 123.909 119.914 0.266 0.000 2.347 67 V HA 0.206 4.313 4.120 -0.022 0.000 0.280 67 V C 0.504 176.562 176.094 -0.060 0.000 1.021 67 V CA -0.594 61.792 62.300 0.143 0.000 0.847 67 V CB 1.186 33.066 31.823 0.094 0.000 0.990 67 V HN 1.036 nan 8.190 nan 0.000 0.444 68 E N 4.487 124.497 120.200 -0.317 0.000 2.392 68 E HA 0.388 4.725 4.350 -0.022 0.000 0.264 68 E C -0.441 176.009 176.600 -0.251 0.000 1.024 68 E CA 0.139 56.140 56.400 -0.665 0.000 0.903 68 E CB 0.732 30.093 29.700 -0.564 0.000 0.963 68 E HN 0.617 nan 8.360 nan 0.000 0.432 69 M N 3.248 122.735 119.600 -0.187 0.000 3.213 69 M HA 0.429 4.896 4.480 -0.022 0.000 0.278 69 M C -2.100 174.186 176.300 -0.023 0.000 1.332 69 M CA -1.045 54.232 55.300 -0.038 0.000 0.810 69 M CB 1.508 34.170 32.600 0.104 0.000 1.676 69 M HN 0.475 nan 8.290 nan 0.000 0.463 70 L N 2.002 123.200 121.223 -0.043 0.000 2.528 70 L HA 0.525 4.852 4.340 -0.022 0.000 0.267 70 L C -1.534 175.249 176.870 -0.145 0.000 0.961 70 L CA -0.277 54.528 54.840 -0.059 0.000 0.866 70 L CB 1.911 43.939 42.059 -0.051 0.000 1.248 70 L HN 0.612 nan 8.230 nan 0.000 0.404 71 M N 5.585 125.060 119.600 -0.209 0.000 2.359 71 M HA 0.547 5.014 4.480 -0.022 0.000 0.322 71 M C -2.246 173.918 176.300 -0.227 0.000 1.166 71 M CA -2.241 52.858 55.300 -0.335 0.000 1.067 71 M CB 0.724 32.963 32.600 -0.602 0.000 1.523 71 M HN 0.361 nan 8.290 nan 0.000 0.467 72 P HA 0.189 nan 4.420 nan 0.000 0.272 72 P C -0.424 176.882 177.300 0.010 0.000 1.223 72 P CA -0.059 63.003 63.100 -0.064 0.000 0.784 72 P CB 0.539 32.219 31.700 -0.034 0.000 0.923 73 A N 2.031 124.894 122.820 0.072 0.000 2.063 73 A HA 0.085 4.392 4.320 -0.022 0.000 0.211 73 A C 0.889 178.522 177.584 0.081 0.000 1.177 73 A CA 0.392 52.545 52.037 0.194 0.000 0.759 73 A CB -0.439 18.740 19.000 0.299 0.000 0.857 73 A HN 0.477 nan 8.150 nan 0.000 0.468 74 L N 1.461 122.683 121.223 -0.001 0.000 2.315 74 L HA 0.495 4.822 4.340 -0.022 0.000 0.283 74 L C -0.836 176.085 176.870 0.084 0.000 1.089 74 L CA 0.135 54.957 54.840 -0.031 0.000 0.833 74 L CB 0.348 42.328 42.059 -0.132 0.000 1.170 74 L HN 0.238 nan 8.230 nan 0.000 0.442 75 L N 7.778 129.087 121.223 0.143 0.000 2.385 75 L HA 0.543 4.870 4.340 -0.022 0.000 0.273 75 L C -2.220 174.739 176.870 0.149 0.000 0.990 75 L CA -1.952 52.969 54.840 0.135 0.000 0.821 75 L CB 2.330 44.397 42.059 0.014 0.000 1.279 75 L HN 0.473 nan 8.230 nan 0.000 0.412 76 P HA -0.013 nan 4.420 nan 0.000 0.264 76 P C 0.311 177.487 177.300 -0.207 0.000 1.193 76 P CA -0.069 62.850 63.100 -0.302 0.000 0.763 76 P CB 1.275 32.859 31.700 -0.194 0.000 0.810 77 A N 3.769 126.396 122.820 -0.321 0.000 2.131 77 A HA -0.201 4.106 4.320 -0.022 0.000 0.220 77 A C 1.921 179.352 177.584 -0.255 0.000 1.158 77 A CA 1.490 53.349 52.037 -0.297 0.000 0.665 77 A CB -0.926 17.748 19.000 -0.543 0.000 0.795 77 A HN 0.504 nan 8.150 nan 0.000 0.460 78 E N -0.526 119.553 120.200 -0.201 0.000 2.160 78 E HA -0.163 4.175 4.350 -0.022 0.000 0.195 78 E C 1.714 178.313 176.600 -0.001 0.000 0.991 78 E CA 0.767 57.095 56.400 -0.119 0.000 0.810 78 E CB -0.256 29.379 29.700 -0.107 0.000 0.742 78 E HN 0.439 nan 8.360 nan 0.000 0.466 79 L N -0.696 120.575 121.223 0.080 0.000 1.989 79 L HA -0.163 4.164 4.340 -0.022 0.000 0.211 79 L C 1.671 178.692 176.870 0.251 0.000 1.071 79 L CA 1.700 56.653 54.840 0.188 0.000 0.749 79 L CB -0.838 41.403 42.059 0.302 0.000 0.890 79 L HN 0.315 nan 8.230 nan 0.000 0.431 80 W N -0.108 121.205 121.300 0.021 0.000 2.467 80 W HA -0.067 4.570 4.660 -0.038 0.000 0.275 80 W C 2.507 179.105 176.519 0.131 0.000 1.239 80 W CA 0.695 58.112 57.345 0.120 0.000 1.266 80 W CB -0.381 29.214 29.460 0.226 0.000 1.112 80 W HN 0.119 nan 8.180 nan 0.000 0.576 81 K N 0.084 120.583 120.400 0.166 0.000 2.103 81 K HA -0.127 4.180 4.320 -0.022 0.000 0.204 81 K C 1.724 178.358 176.600 0.056 0.000 1.052 81 K CA 1.418 57.748 56.287 0.071 0.000 0.945 81 K CB -0.215 32.233 32.500 -0.088 0.000 0.722 81 K HN 0.159 nan 8.250 nan 0.000 0.443 82 E N 0.644 120.868 120.200 0.040 0.000 2.038 82 E HA -0.187 4.151 4.350 -0.022 0.000 0.195 82 E C 2.155 178.764 176.600 0.016 0.000 1.000 82 E CA 1.778 58.193 56.400 0.025 0.000 0.803 82 E CB -0.083 29.633 29.700 0.027 0.000 0.750 82 E HN 0.309 nan 8.360 nan 0.000 0.448 83 S N -0.874 114.829 115.700 0.004 0.000 2.423 83 S HA -0.019 4.438 4.470 -0.022 0.000 0.231 83 S C 1.769 176.334 174.600 -0.058 0.000 1.014 83 S CA 1.009 59.188 58.200 -0.035 0.000 0.965 83 S CB 0.171 63.345 63.200 -0.043 0.000 0.785 83 S HN 0.466 nan 8.310 nan 0.000 0.495 84 G N 1.167 109.974 108.800 0.012 0.000 2.195 84 G HA2 -0.230 3.717 3.960 -0.022 0.000 0.224 84 G HA3 -0.230 3.717 3.960 -0.022 0.000 0.224 84 G C 0.983 175.951 174.900 0.113 0.000 0.990 84 G CA 0.211 45.345 45.100 0.057 0.000 0.639 84 G HN 0.457 nan 8.290 nan 0.000 0.514 85 R N -0.947 119.593 120.500 0.067 0.000 2.193 85 R HA 0.101 4.428 4.340 -0.022 0.000 0.213 85 R C 1.974 178.575 176.300 0.502 0.000 1.055 85 R CA 0.899 57.075 56.100 0.128 0.000 0.995 85 R CB -0.272 29.829 30.300 -0.331 0.000 0.893 85 R HN 0.484 nan 8.270 nan 0.000 0.459 86 Y N 2.255 122.816 120.300 0.435 0.000 2.102 86 Y HA -0.298 4.256 4.550 0.007 0.000 0.280 86 Y C 1.983 178.093 175.900 0.350 0.000 1.178 86 Y CA 1.796 60.165 58.100 0.449 0.000 1.146 86 Y CB 0.148 38.791 38.460 0.304 0.000 0.968 86 Y HN -0.030 nan 8.280 nan 0.000 0.504 87 E N -1.649 118.758 120.200 0.345 0.000 2.340 87 E HA -0.027 4.310 4.350 -0.022 0.000 0.194 87 E C 2.106 178.951 176.600 0.409 0.000 0.996 87 E CA 1.286 57.858 56.400 0.285 0.000 0.869 87 E CB -0.283 29.604 29.700 0.311 0.000 0.835 87 E HN 0.631 nan 8.360 nan 0.000 0.493 88 T N -2.584 112.150 114.554 0.301 0.000 3.022 88 T HA 0.012 4.349 4.350 -0.022 0.000 0.250 88 T C 1.793 176.568 174.700 0.125 0.000 1.060 88 T CA -0.152 61.993 62.100 0.075 0.000 1.013 88 T CB -0.303 68.463 68.868 -0.170 0.000 0.982 88 T HN 0.002 nan 8.240 nan 0.000 0.508 89 Y N 3.001 123.409 120.300 0.179 0.000 2.242 89 Y HA 0.316 4.854 4.550 -0.020 0.000 0.291 89 Y C 1.390 177.391 175.900 0.167 0.000 1.137 89 Y CA 1.195 59.428 58.100 0.221 0.000 1.181 89 Y CB -0.529 38.202 38.460 0.450 0.000 0.989 89 Y HN 0.649 nan 8.280 nan 0.000 0.527 90 G N -1.373 107.565 108.800 0.231 0.000 2.483 90 G HA2 -0.173 3.774 3.960 -0.022 0.000 0.521 90 G HA3 -0.173 3.774 3.960 -0.022 0.000 0.521 90 G C -2.149 172.822 174.900 0.119 0.000 1.278 90 G CA -0.490 44.695 45.100 0.141 0.000 0.965 90 G HN 0.021 nan 8.290 nan 0.000 0.504 91 P HA 0.071 nan 4.420 nan 0.000 0.237 91 P C 1.295 178.572 177.300 -0.038 0.000 1.178 91 P CA 0.942 64.043 63.100 0.002 0.000 0.766 91 P CB -0.123 31.571 31.700 -0.009 0.000 0.876 92 N N -0.573 118.141 118.700 0.024 0.000 2.381 92 N HA -0.084 4.643 4.740 -0.022 0.000 0.182 92 N C 0.334 175.894 175.510 0.084 0.000 1.025 92 N CA -0.063 53.019 53.050 0.053 0.000 0.888 92 N CB -0.228 38.360 38.487 0.168 0.000 0.965 92 N HN 0.106 nan 8.380 nan 0.000 0.438 93 L N 1.948 123.279 121.223 0.180 0.000 2.433 93 L HA 0.060 4.387 4.340 -0.022 0.000 0.275 93 L C -0.938 175.878 176.870 -0.090 0.000 1.128 93 L CA 0.040 54.910 54.840 0.049 0.000 0.875 93 L CB -0.360 41.737 42.059 0.063 0.000 1.171 93 L HN 0.007 nan 8.230 nan 0.000 0.463 94 Y N 5.655 125.949 120.300 -0.010 0.000 2.393 94 Y HA 0.368 4.904 4.550 -0.024 0.000 0.338 94 Y C 0.558 176.421 175.900 -0.062 0.000 1.029 94 Y CA -0.152 57.934 58.100 -0.024 0.000 1.239 94 Y CB 0.503 38.945 38.460 -0.030 0.000 1.170 94 Y HN 0.496 nan 8.280 nan 0.000 0.515 95 R N 4.969 125.547 120.500 0.131 0.000 2.589 95 R HA 0.806 5.133 4.340 -0.022 0.000 0.293 95 R C -1.098 175.276 176.300 0.123 0.000 0.963 95 R CA -0.981 55.186 56.100 0.111 0.000 0.905 95 R CB 1.743 32.089 30.300 0.076 0.000 1.144 95 R HN 0.717 nan 8.270 nan 0.000 0.459 96 L N -2.104 119.201 121.223 0.137 0.000 2.630 96 L HA 0.690 5.017 4.340 -0.022 0.000 0.258 96 L C -1.379 175.596 176.870 0.174 0.000 1.072 96 L CA -1.294 53.614 54.840 0.113 0.000 0.885 96 L CB 2.075 44.157 42.059 0.040 0.000 1.502 96 L HN 0.355 nan 8.230 nan 0.000 0.406 97 K N 0.496 120.974 120.400 0.130 0.000 2.316 97 K HA 0.414 4.721 4.320 -0.022 0.000 0.251 97 K C -1.305 175.357 176.600 0.104 0.000 0.934 97 K CA -0.722 55.666 56.287 0.169 0.000 0.802 97 K CB 1.758 34.321 32.500 0.105 0.000 1.171 97 K HN 0.815 nan 8.250 nan 0.000 0.426 98 D N 0.911 121.407 120.400 0.161 0.000 2.478 98 D HA 0.036 4.663 4.640 -0.022 0.000 0.274 98 D C 0.844 177.166 176.300 0.036 0.000 1.234 98 D CA -0.235 53.775 54.000 0.015 0.000 1.069 98 D CB 0.520 41.281 40.800 -0.065 0.000 1.113 98 D HN 0.578 nan 8.370 nan 0.000 0.571 99 R N -0.761 119.741 120.500 0.004 0.000 2.189 99 R HA 0.021 4.348 4.340 -0.022 0.000 0.218 99 R C 0.261 176.574 176.300 0.022 0.000 1.074 99 R CA 0.596 56.699 56.100 0.006 0.000 0.991 99 R CB -0.582 29.711 30.300 -0.011 0.000 0.883 99 R HN 0.255 nan 8.270 nan 0.000 0.457 100 N N 1.170 119.894 118.700 0.041 0.000 2.268 100 N HA -0.020 4.707 4.740 -0.022 0.000 0.204 100 N C -0.586 174.954 175.510 0.050 0.000 1.124 100 N CA 0.500 53.574 53.050 0.041 0.000 0.838 100 N CB 0.445 38.959 38.487 0.045 0.000 0.994 100 N HN 0.243 nan 8.380 nan 0.000 0.489 101 D N -0.074 120.364 120.400 0.062 0.000 3.090 101 D HA -0.150 4.477 4.640 -0.022 0.000 0.215 101 D C -0.494 175.842 176.300 0.060 0.000 1.140 101 D CA 0.638 54.672 54.000 0.057 0.000 0.937 101 D CB -0.263 40.558 40.800 0.034 0.000 1.108 101 D HN 0.064 nan 8.370 nan 0.000 0.420 102 R N 0.884 121.443 120.500 0.100 0.000 2.531 102 R HA 0.385 4.712 4.340 -0.022 0.000 0.273 102 R C -0.108 176.195 176.300 0.005 0.000 1.070 102 R CA -0.152 55.961 56.100 0.022 0.000 1.112 102 R CB 0.426 30.738 30.300 0.020 0.000 1.049 102 R HN 0.199 nan 8.270 nan 0.000 0.508 103 D N 1.806 122.065 120.400 -0.235 0.000 2.193 103 D HA 0.302 4.929 4.640 -0.022 0.000 0.244 103 D C -0.413 175.609 176.300 -0.463 0.000 1.064 103 D CA 0.021 53.924 54.000 -0.162 0.000 0.845 103 D CB 0.983 41.711 40.800 -0.120 0.000 1.148 103 D HN 0.243 nan 8.370 nan 0.000 0.464 104 Y N 0.371 120.676 120.300 0.008 0.000 2.633 104 Y HA 0.525 5.074 4.550 -0.002 0.000 0.339 104 Y C 0.493 176.396 175.900 0.005 0.000 1.045 104 Y CA -1.148 56.941 58.100 -0.018 0.000 1.098 104 Y CB 1.512 39.943 38.460 -0.047 0.000 1.296 104 Y HN 0.249 nan 8.280 nan 0.000 0.494 105 I N -1.069 119.560 120.570 0.099 0.000 3.108 105 I HA 0.662 4.819 4.170 -0.022 0.000 0.312 105 I C -1.637 174.432 176.117 -0.080 0.000 1.095 105 I CA -1.200 60.082 61.300 -0.029 0.000 1.000 105 I CB 2.229 40.080 38.000 -0.248 0.000 1.229 105 I HN 0.352 nan 8.210 nan 0.000 0.454 106 L N 2.666 123.826 121.223 -0.106 0.000 2.275 106 L HA 0.498 4.825 4.340 -0.022 0.000 0.288 106 L C 0.721 177.541 176.870 -0.084 0.000 1.046 106 L CA -0.727 54.023 54.840 -0.149 0.000 0.805 106 L CB 1.454 43.308 42.059 -0.342 0.000 1.193 106 L HN 0.907 nan 8.230 nan 0.000 0.426 107 G N 3.680 112.464 108.800 -0.028 0.000 2.298 107 G HA2 0.147 4.094 3.960 -0.022 0.000 0.263 107 G HA3 0.147 4.094 3.960 -0.022 0.000 0.263 107 G C -1.729 173.118 174.900 -0.088 0.000 1.229 107 G CA -0.686 44.298 45.100 -0.192 0.000 0.976 107 G HN 0.500 nan 8.290 nan 0.000 0.459 108 P HA 0.088 nan 4.420 nan 0.000 0.235 108 P C 0.605 177.963 177.300 0.096 0.000 1.177 108 P CA 0.704 63.806 63.100 0.003 0.000 0.785 108 P CB 0.855 32.513 31.700 -0.070 0.000 0.885 109 T N -1.848 112.687 114.554 -0.031 0.000 2.717 109 T HA 0.208 4.545 4.350 -0.022 0.000 0.315 109 T C -1.381 173.253 174.700 -0.110 0.000 1.746 109 T CA -0.489 61.685 62.100 0.124 0.000 1.001 109 T CB 0.107 69.160 68.868 0.310 0.000 1.673 109 T HN -0.046 nan 8.240 nan 0.000 0.498 110 H N 1.469 120.771 119.070 0.387 0.000 2.492 110 H HA 0.290 4.832 4.556 -0.024 0.000 0.264 110 H C 0.721 175.958 175.328 -0.152 0.000 1.150 110 H CA -0.006 56.174 56.048 0.220 0.000 0.962 110 H CB 0.852 30.820 29.762 0.345 0.000 1.766 110 H HN 0.569 nan 8.280 nan 0.000 0.589 111 E N 1.121 121.254 120.200 -0.112 0.000 2.051 111 E HA -0.173 4.164 4.350 -0.022 0.000 0.192 111 E C 1.764 178.178 176.600 -0.310 0.000 0.991 111 E CA 1.260 57.415 56.400 -0.409 0.000 0.799 111 E CB 0.275 29.348 29.700 -1.044 0.000 0.748 111 E HN 0.381 nan 8.360 nan 0.000 0.449 112 E N -0.147 119.906 120.200 -0.245 0.000 2.049 112 E HA -0.185 4.152 4.350 -0.022 0.000 0.198 112 E C 2.153 178.794 176.600 0.068 0.000 1.007 112 E CA 2.054 58.431 56.400 -0.039 0.000 0.809 112 E CB -0.443 29.257 29.700 -0.000 0.000 0.749 112 E HN 0.260 nan 8.360 nan 0.000 0.450 113 T N -0.020 114.615 114.554 0.134 0.000 2.708 113 T HA -0.122 4.215 4.350 -0.022 0.000 0.266 113 T C 1.654 176.293 174.700 -0.102 0.000 1.037 113 T CA 1.225 63.358 62.100 0.054 0.000 1.146 113 T CB -0.475 68.484 68.868 0.151 0.000 0.865 113 T HN 0.058 nan 8.240 nan 0.000 0.435 114 F N 1.709 121.584 119.950 -0.124 0.000 2.206 114 F HA -0.037 4.477 4.527 -0.021 0.000 0.298 114 F C 2.861 178.621 175.800 -0.067 0.000 1.090 114 F CA 0.923 58.860 58.000 -0.106 0.000 1.323 114 F CB -0.945 37.950 39.000 -0.175 0.000 1.028 114 F HN 0.085 nan 8.300 nan 0.000 0.492 115 T N -0.868 113.804 114.554 0.197 0.000 2.746 115 T HA -0.226 4.111 4.350 -0.022 0.000 0.267 115 T C 1.766 176.479 174.700 0.022 0.000 1.039 115 T CA 1.655 63.858 62.100 0.171 0.000 1.142 115 T CB -0.269 68.714 68.868 0.192 0.000 0.866 115 T HN 0.123 nan 8.240 nan 0.000 0.444 116 E N 0.902 121.105 120.200 0.005 0.000 2.051 116 E HA -0.081 4.256 4.350 -0.022 0.000 0.192 116 E C 2.005 178.557 176.600 -0.080 0.000 0.991 116 E CA 0.613 56.998 56.400 -0.025 0.000 0.799 116 E CB -0.539 29.155 29.700 -0.010 0.000 0.748 116 E HN 0.312 nan 8.360 nan 0.000 0.449 117 L N 0.370 121.516 121.223 -0.129 0.000 1.997 117 L HA -0.207 4.120 4.340 -0.022 0.000 0.216 117 L C 2.013 178.763 176.870 -0.199 0.000 1.074 117 L CA 1.793 56.528 54.840 -0.175 0.000 0.763 117 L CB -0.587 41.325 42.059 -0.245 0.000 0.890 117 L HN 0.243 nan 8.230 nan 0.000 0.434 118 I N -0.238 120.155 120.570 -0.294 0.000 2.252 118 I HA -0.251 3.906 4.170 -0.022 0.000 0.245 118 I C 2.699 178.705 176.117 -0.185 0.000 1.102 118 I CA 1.581 62.658 61.300 -0.371 0.000 1.385 118 I CB -1.302 36.198 38.000 -0.833 0.000 1.064 118 I HN 0.487 nan 8.210 nan 0.000 0.414 119 R N 1.261 121.694 120.500 -0.111 0.000 2.112 119 R HA -0.231 4.096 4.340 -0.022 0.000 0.242 119 R C 1.706 177.973 176.300 -0.055 0.000 1.137 119 R CA 2.365 58.434 56.100 -0.052 0.000 0.944 119 R CB -0.177 30.110 30.300 -0.021 0.000 0.857 119 R HN 0.297 nan 8.270 nan 0.000 0.435 120 D N -0.297 120.063 120.400 -0.067 0.000 2.224 120 D HA -0.090 4.537 4.640 -0.022 0.000 0.205 120 D C 1.496 177.760 176.300 -0.061 0.000 0.965 120 D CA 0.913 54.879 54.000 -0.057 0.000 0.852 120 D CB 0.084 40.849 40.800 -0.059 0.000 0.947 120 D HN 0.343 nan 8.370 nan 0.000 0.494 121 E N -0.394 119.757 120.200 -0.082 0.000 2.372 121 E HA 0.120 4.457 4.350 -0.022 0.000 0.201 121 E C 0.515 177.072 176.600 -0.071 0.000 0.938 121 E CA 0.103 56.457 56.400 -0.078 0.000 0.944 121 E CB 1.435 31.078 29.700 -0.095 0.000 0.937 121 E HN 0.182 nan 8.360 nan 0.000 0.495 122 I N 2.476 122.998 120.570 -0.080 0.000 2.382 122 I HA 0.243 4.400 4.170 -0.022 0.000 0.286 122 I C 0.332 176.431 176.117 -0.030 0.000 1.002 122 I CA -0.199 61.065 61.300 -0.062 0.000 1.135 122 I CB 1.220 39.170 38.000 -0.084 0.000 1.288 122 I HN -0.124 nan 8.210 nan 0.000 0.448 123 N N 2.919 121.610 118.700 -0.014 0.000 2.143 123 N HA 0.044 4.771 4.740 -0.022 0.000 0.222 123 N C 0.113 175.645 175.510 0.036 0.000 1.264 123 N CA 0.065 53.120 53.050 0.010 0.000 0.897 123 N CB 1.574 40.063 38.487 0.003 0.000 1.092 123 N HN 0.492 nan 8.380 nan 0.000 0.516 124 S N 0.068 115.783 115.700 0.026 0.000 2.547 124 S HA 0.217 4.674 4.470 -0.022 0.000 0.281 124 S C 0.721 175.338 174.600 0.030 0.000 1.118 124 S CA -0.750 57.475 58.200 0.042 0.000 0.947 124 S CB 0.697 63.867 63.200 -0.049 0.000 1.053 124 S HN 0.268 nan 8.310 nan 0.000 0.482 125 Y N 3.708 124.026 120.300 0.031 0.000 2.298 125 Y HA -0.010 4.526 4.550 -0.023 0.000 0.287 125 Y C 1.565 177.490 175.900 0.042 0.000 1.164 125 Y CA 1.577 59.703 58.100 0.043 0.000 1.229 125 Y CB -0.383 38.103 38.460 0.043 0.000 0.977 125 Y HN 0.612 nan 8.280 nan 0.000 0.538 126 K N 0.533 120.398 120.400 -0.892 0.000 2.211 126 K HA -0.033 4.274 4.320 -0.022 0.000 0.203 126 K C 1.830 178.269 176.600 -0.268 0.000 1.050 126 K CA 1.255 57.124 56.287 -0.695 0.000 0.945 126 K CB -0.113 32.029 32.500 -0.597 0.000 0.732 126 K HN 0.338 nan 8.250 nan 0.000 0.451 127 R N 0.286 120.681 120.500 -0.175 0.000 2.320 127 R HA 0.165 4.492 4.340 -0.022 0.000 0.211 127 R C -0.086 176.201 176.300 -0.020 0.000 0.931 127 R CA 0.113 56.166 56.100 -0.077 0.000 1.071 127 R CB 0.090 30.351 30.300 -0.064 0.000 1.025 127 R HN 0.068 nan 8.270 nan 0.000 0.495 128 L N 1.199 122.423 121.223 0.001 0.000 2.322 128 L HA 0.516 4.843 4.340 -0.022 0.000 0.269 128 L C -2.070 174.854 176.870 0.090 0.000 1.012 128 L CA -2.342 52.540 54.840 0.069 0.000 0.815 128 L CB 1.590 43.721 42.059 0.119 0.000 1.295 128 L HN -0.104 nan 8.230 nan 0.000 0.438 129 P HA 0.441 nan 4.420 nan 0.000 0.281 129 P C -1.413 175.939 177.300 0.087 0.000 1.264 129 P CA -0.492 62.677 63.100 0.115 0.000 0.824 129 P CB 1.575 33.421 31.700 0.243 0.000 1.092 130 L N 1.090 122.368 121.223 0.091 0.000 2.381 130 L HA 0.479 4.806 4.340 -0.022 0.000 0.268 130 L C 0.225 177.216 176.870 0.201 0.000 0.997 130 L CA -0.530 54.404 54.840 0.157 0.000 0.818 130 L CB 2.082 44.264 42.059 0.205 0.000 1.310 130 L HN 0.436 nan 8.230 nan 0.000 0.416 131 N N 3.156 121.970 118.700 0.191 0.000 2.524 131 N HA 0.589 5.316 4.740 -0.022 0.000 0.261 131 N C -1.572 174.095 175.510 0.261 0.000 0.998 131 N CA -0.475 52.701 53.050 0.209 0.000 0.915 131 N CB 1.065 39.616 38.487 0.105 0.000 1.187 131 N HN 0.448 nan 8.380 nan 0.000 0.507 132 L N 3.871 125.295 121.223 0.334 0.000 2.346 132 L HA 0.598 4.926 4.340 -0.022 0.000 0.274 132 L C -0.865 176.169 176.870 0.274 0.000 1.007 132 L CA -0.988 54.053 54.840 0.335 0.000 0.818 132 L CB 1.220 43.587 42.059 0.513 0.000 1.284 132 L HN 0.582 nan 8.230 nan 0.000 0.424 133 Y N 0.675 121.044 120.300 0.114 0.000 2.655 133 Y HA 0.728 5.265 4.550 -0.022 0.000 0.336 133 Y C -1.341 174.670 175.900 0.185 0.000 1.154 133 Y CA -1.104 57.018 58.100 0.036 0.000 1.055 133 Y CB 1.519 39.917 38.460 -0.103 0.000 1.295 133 Y HN 0.625 nan 8.280 nan 0.000 0.465 134 Q N 1.308 121.254 119.800 0.243 0.000 2.456 134 Q HA 0.724 5.051 4.340 -0.022 0.000 0.284 134 Q C -1.928 174.232 176.000 0.267 0.000 1.061 134 Q CA -1.092 54.804 55.803 0.155 0.000 0.799 134 Q CB 3.191 32.084 28.738 0.258 0.000 1.445 134 Q HN 0.779 nan 8.270 nan 0.000 0.411 135 I N 1.830 122.510 120.570 0.183 0.000 2.390 135 I HA 0.371 4.528 4.170 -0.022 0.000 0.283 135 I C -0.676 175.503 176.117 0.103 0.000 1.016 135 I CA -0.332 61.073 61.300 0.176 0.000 1.151 135 I CB 1.444 39.546 38.000 0.170 0.000 1.293 135 I HN 0.552 nan 8.210 nan 0.000 0.458 136 Q N 4.289 124.148 119.800 0.099 0.000 2.377 136 Q HA 0.395 4.722 4.340 -0.022 0.000 0.279 136 Q C -1.244 174.760 176.000 0.006 0.000 1.049 136 Q CA -0.614 55.222 55.803 0.056 0.000 0.825 136 Q CB 2.758 31.531 28.738 0.057 0.000 1.401 136 Q HN 0.538 nan 8.270 nan 0.000 0.404 137 T N 3.645 118.174 114.554 -0.042 0.000 2.901 137 T HA 0.281 4.618 4.350 -0.022 0.000 0.301 137 T C -0.345 174.146 174.700 -0.348 0.000 1.012 137 T CA -0.177 61.795 62.100 -0.213 0.000 1.135 137 T CB 0.432 69.205 68.868 -0.158 0.000 0.936 137 T HN 0.223 nan 8.240 nan 0.000 0.539 138 K N 2.196 122.147 120.400 -0.749 0.000 2.281 138 K HA 0.446 4.753 4.320 -0.022 0.000 0.242 138 K C -1.283 174.683 176.600 -1.056 0.000 0.971 138 K CA -0.719 55.092 56.287 -0.795 0.000 0.834 138 K CB 1.889 33.750 32.500 -1.064 0.000 1.181 138 K HN 0.576 nan 8.250 nan 0.000 0.435 139 Y N 0.733 120.946 120.300 -0.145 0.000 2.326 139 Y HA 0.402 4.939 4.550 -0.022 0.000 0.329 139 Y C -0.035 176.073 175.900 0.346 0.000 0.973 139 Y CA -0.692 57.489 58.100 0.135 0.000 1.162 139 Y CB 1.795 40.307 38.460 0.087 0.000 1.147 139 Y HN 0.212 nan 8.280 nan 0.000 0.456 140 R N 1.526 122.378 120.500 0.587 0.000 2.502 140 R HA 0.162 4.489 4.340 -0.022 0.000 0.298 140 R C -1.290 175.171 176.300 0.269 0.000 1.018 140 R CA -0.866 55.498 56.100 0.440 0.000 0.899 140 R CB 1.605 32.215 30.300 0.518 0.000 1.181 140 R HN 0.535 nan 8.270 nan 0.000 0.444 141 D N 3.451 123.745 120.400 -0.177 0.000 2.736 141 D HA -0.034 4.593 4.640 -0.022 0.000 0.228 141 D C -0.101 176.167 176.300 -0.053 0.000 1.077 141 D CA 0.426 54.229 54.000 -0.327 0.000 1.096 141 D CB 0.263 40.607 40.800 -0.760 0.000 1.138 141 D HN 0.296 nan 8.370 nan 0.000 0.461 142 E N 1.031 121.273 120.200 0.069 0.000 2.437 142 E HA -0.023 4.314 4.350 -0.022 0.000 0.263 142 E C 0.573 177.194 176.600 0.035 0.000 1.030 142 E CA 0.163 56.599 56.400 0.060 0.000 0.934 142 E CB 0.779 30.528 29.700 0.083 0.000 0.943 142 E HN 0.280 nan 8.360 nan 0.000 0.444 143 K N 2.222 122.634 120.400 0.020 0.000 2.484 143 K HA -0.028 4.279 4.320 -0.022 0.000 0.280 143 K C 0.619 177.232 176.600 0.023 0.000 1.013 143 K CA 0.169 56.466 56.287 0.016 0.000 1.029 143 K CB 0.421 32.926 32.500 0.008 0.000 0.902 143 K HN 0.317 nan 8.250 nan 0.000 0.481 144 R N 1.483 121.997 120.500 0.024 0.000 2.505 144 R HA -0.117 4.210 4.340 -0.022 0.000 0.274 144 R C -0.297 176.014 176.300 0.018 0.000 0.955 144 R CA 0.823 56.938 56.100 0.025 0.000 1.109 144 R CB 0.322 30.635 30.300 0.021 0.000 0.890 144 R HN 0.550 nan 8.270 nan 0.000 0.415 145 S N 1.396 117.108 115.700 0.020 0.000 2.549 145 S HA 0.385 4.842 4.470 -0.022 0.000 0.280 145 S C -0.160 174.435 174.600 -0.010 0.000 1.109 145 S CA -1.031 57.172 58.200 0.006 0.000 0.905 145 S CB 1.352 64.557 63.200 0.009 0.000 1.081 145 S HN 0.630 nan 8.310 nan 0.000 0.477 146 R N 1.561 122.049 120.500 -0.020 0.000 2.307 146 R HA 0.110 4.437 4.340 -0.022 0.000 0.199 146 R C 1.751 178.002 176.300 -0.082 0.000 1.000 146 R CA 1.067 57.150 56.100 -0.030 0.000 1.023 146 R CB -0.740 29.556 30.300 -0.008 0.000 0.908 146 R HN 0.577 nan 8.270 nan 0.000 0.473 147 S N -1.286 114.357 115.700 -0.094 0.000 2.556 147 S HA 0.320 4.777 4.470 -0.022 0.000 0.216 147 S C 1.245 175.728 174.600 -0.196 0.000 0.970 147 S CA -0.047 58.091 58.200 -0.103 0.000 0.912 147 S CB -0.058 63.106 63.200 -0.059 0.000 0.790 147 S HN 0.472 nan 8.310 nan 0.000 0.504 148 G N 2.315 110.884 108.800 -0.385 0.000 2.574 148 G HA2 -0.322 3.625 3.960 -0.022 0.000 0.286 148 G HA3 -0.322 3.625 3.960 -0.022 0.000 0.286 148 G C 0.385 175.046 174.900 -0.399 0.000 1.212 148 G CA 0.134 44.782 45.100 -0.754 0.000 0.979 148 G HN 0.500 nan 8.290 nan 0.000 0.557 149 L N 0.805 121.767 121.223 -0.436 0.000 2.270 149 L HA -0.008 4.319 4.340 -0.022 0.000 0.217 149 L C 2.842 179.716 176.870 0.007 0.000 1.107 149 L CA 1.957 56.742 54.840 -0.092 0.000 0.772 149 L CB -0.585 41.489 42.059 0.025 0.000 0.902 149 L HN 0.487 nan 8.230 nan 0.000 0.439 150 L N -1.453 119.745 121.223 -0.042 0.000 2.362 150 L HA -0.101 4.227 4.340 -0.022 0.000 0.219 150 L C 1.213 178.044 176.870 -0.065 0.000 1.134 150 L CA 0.548 55.360 54.840 -0.047 0.000 0.807 150 L CB -0.183 41.845 42.059 -0.051 0.000 0.927 150 L HN 0.170 nan 8.230 nan 0.000 0.447 151 R N 0.229 120.712 120.500 -0.028 0.000 2.850 151 R HA 0.339 4.666 4.340 -0.022 0.000 0.266 151 R C -0.435 175.923 176.300 0.096 0.000 1.782 151 R CA -0.246 55.835 56.100 -0.032 0.000 1.310 151 R CB 0.741 31.025 30.300 -0.028 0.000 1.337 151 R HN 0.020 nan 8.270 nan 0.000 0.546 152 G N 1.457 110.339 108.800 0.137 0.000 2.425 152 G HA2 0.222 4.169 3.960 -0.022 0.000 0.302 152 G HA3 0.222 4.169 3.960 -0.022 0.000 0.302 152 G C 0.242 175.346 174.900 0.339 0.000 1.159 152 G CA -0.645 44.649 45.100 0.324 0.000 0.865 152 G HN 0.555 nan 8.290 nan 0.000 0.515 153 R N -0.374 120.304 120.500 0.296 0.000 2.100 153 R HA 0.057 4.385 4.340 -0.022 0.000 0.220 153 R C 0.722 177.257 176.300 0.390 0.000 1.091 153 R CA 0.511 56.838 56.100 0.377 0.000 0.986 153 R CB 0.278 30.776 30.300 0.330 0.000 0.888 153 R HN 0.643 nan 8.270 nan 0.000 0.444 154 E N 0.770 121.099 120.200 0.216 0.000 2.134 154 E HA 0.237 4.574 4.350 -0.022 0.000 0.278 154 E C -1.233 175.467 176.600 0.167 0.000 0.959 154 E CA -0.598 55.769 56.400 -0.055 0.000 0.783 154 E CB 0.694 30.356 29.700 -0.064 0.000 1.095 154 E HN -0.033 nan 8.360 nan 0.000 0.399 155 F N 2.182 122.094 119.950 -0.063 0.000 2.626 155 F HA 0.565 5.079 4.527 -0.021 0.000 0.311 155 F C -1.253 174.582 175.800 0.059 0.000 1.088 155 F CA -1.432 56.622 58.000 0.090 0.000 0.949 155 F CB 0.604 39.679 39.000 0.124 0.000 1.322 155 F HN 0.158 nan 8.300 nan 0.000 0.461 156 I N 3.649 124.383 120.570 0.274 0.000 2.352 156 I HA 0.329 4.486 4.170 -0.022 0.000 0.290 156 I C -0.146 176.131 176.117 0.267 0.000 1.036 156 I CA -0.138 61.243 61.300 0.135 0.000 1.336 156 I CB 1.129 39.158 38.000 0.048 0.000 1.407 156 I HN 0.592 nan 8.210 nan 0.000 0.497 157 M N 6.799 126.507 119.600 0.179 0.000 2.383 157 M HA 0.329 4.796 4.480 -0.022 0.000 0.325 157 M C -0.597 175.816 176.300 0.189 0.000 1.092 157 M CA -0.864 54.591 55.300 0.258 0.000 0.961 157 M CB 1.757 34.568 32.600 0.351 0.000 1.672 157 M HN 0.473 nan 8.290 nan 0.000 0.438 158 K N 4.756 125.263 120.400 0.177 0.000 2.312 158 K HA 0.160 4.467 4.320 -0.022 0.000 0.287 158 K C -1.571 175.107 176.600 0.130 0.000 1.062 158 K CA 0.022 56.419 56.287 0.184 0.000 0.934 158 K CB 0.430 33.041 32.500 0.185 0.000 1.027 158 K HN 0.724 nan 8.250 nan 0.000 0.478 159 D N 3.061 123.547 120.400 0.143 0.000 2.593 159 D HA 0.364 4.991 4.640 -0.022 0.000 0.251 159 D C -0.126 176.070 176.300 -0.174 0.000 1.140 159 D CA -0.610 53.373 54.000 -0.029 0.000 0.855 159 D CB 1.602 42.477 40.800 0.125 0.000 1.267 159 D HN 0.533 nan 8.370 nan 0.000 0.532 160 G N 0.778 109.301 108.800 -0.462 0.000 2.417 160 G HA2 0.580 4.527 3.960 -0.022 0.000 0.334 160 G HA3 0.580 4.527 3.960 -0.022 0.000 0.334 160 G C -1.562 172.810 174.900 -0.879 0.000 1.150 160 G CA -0.732 44.130 45.100 -0.397 0.000 0.923 160 G HN 0.390 nan 8.290 nan 0.000 0.485 161 Y N 0.179 120.361 120.300 -0.195 0.000 2.361 161 Y HA 0.479 5.019 4.550 -0.016 0.000 0.328 161 Y C 0.253 175.957 175.900 -0.327 0.000 1.044 161 Y CA -0.948 56.921 58.100 -0.386 0.000 1.085 161 Y CB 2.442 40.572 38.460 -0.549 0.000 1.194 161 Y HN 0.696 nan 8.280 nan 0.000 0.438 162 S N 2.371 117.929 115.700 -0.236 0.000 2.503 162 S HA 0.859 5.316 4.470 -0.022 0.000 0.301 162 S C -1.263 172.837 174.600 -0.834 0.000 1.087 162 S CA -0.676 57.398 58.200 -0.210 0.000 1.042 162 S CB 1.019 64.443 63.200 0.373 0.000 1.043 162 S HN 0.338 nan 8.310 nan 0.000 0.489 163 F N 1.808 121.511 119.950 -0.411 0.000 2.507 163 F HA 0.554 5.067 4.527 -0.023 0.000 0.325 163 F C 0.600 176.051 175.800 -0.581 0.000 1.116 163 F CA -0.577 57.215 58.000 -0.347 0.000 0.930 163 F CB 1.688 40.642 39.000 -0.076 0.000 1.146 163 F HN 0.597 nan 8.300 nan 0.000 0.447 164 H N 0.908 120.120 119.070 0.237 0.000 2.851 164 H HA 0.514 5.057 4.556 -0.021 0.000 0.372 164 H C 0.026 175.442 175.328 0.147 0.000 1.158 164 H CA -0.785 55.360 56.048 0.162 0.000 1.159 164 H CB 2.166 31.994 29.762 0.110 0.000 1.757 164 H HN 0.679 nan 8.280 nan 0.000 0.546 165 A N 1.744 124.722 122.820 0.262 0.000 2.132 165 A HA 0.061 4.368 4.320 -0.022 0.000 0.213 165 A C 0.154 177.824 177.584 0.144 0.000 1.154 165 A CA 0.977 53.132 52.037 0.197 0.000 0.753 165 A CB -0.272 18.865 19.000 0.228 0.000 0.826 165 A HN 0.791 nan 8.150 nan 0.000 0.469 166 D N -3.659 116.828 120.400 0.146 0.000 2.570 166 D HA 0.402 5.029 4.640 -0.022 0.000 0.244 166 D C 0.209 176.530 176.300 0.035 0.000 1.178 166 D CA -0.706 53.338 54.000 0.074 0.000 0.881 166 D CB 0.628 41.460 40.800 0.053 0.000 1.453 166 D HN -0.208 nan 8.370 nan 0.000 0.447 167 E N 0.263 120.460 120.200 -0.005 0.000 2.072 167 E HA -0.157 4.180 4.350 -0.022 0.000 0.191 167 E C 2.110 178.662 176.600 -0.081 0.000 0.985 167 E CA 1.337 57.705 56.400 -0.053 0.000 0.801 167 E CB -0.438 29.231 29.700 -0.052 0.000 0.750 167 E HN 0.602 nan 8.360 nan 0.000 0.452 168 A N 1.032 123.826 122.820 -0.045 0.000 1.940 168 A HA -0.210 4.097 4.320 -0.022 0.000 0.219 168 A C 2.412 179.961 177.584 -0.057 0.000 1.176 168 A CA 2.037 54.051 52.037 -0.039 0.000 0.631 168 A CB -0.644 18.351 19.000 -0.009 0.000 0.814 168 A HN 0.263 nan 8.150 nan 0.000 0.446 169 S N -0.625 115.045 115.700 -0.050 0.000 2.353 169 S HA -0.178 4.279 4.470 -0.022 0.000 0.222 169 S C 1.973 176.341 174.600 -0.387 0.000 1.035 169 S CA 1.670 59.837 58.200 -0.054 0.000 1.025 169 S CB -0.511 62.764 63.200 0.125 0.000 0.902 169 S HN 0.607 nan 8.310 nan 0.000 0.440 170 L N 2.238 123.068 121.223 -0.654 0.000 1.989 170 L HA -0.112 4.215 4.340 -0.022 0.000 0.211 170 L C 1.784 178.483 176.870 -0.286 0.000 1.071 170 L CA 2.511 56.830 54.840 -0.868 0.000 0.749 170 L CB -1.206 40.607 42.059 -0.410 0.000 0.890 170 L HN 0.206 nan 8.230 nan 0.000 0.431 171 D N -0.826 119.473 120.400 -0.167 0.000 2.158 171 D HA -0.240 4.387 4.640 -0.022 0.000 0.197 171 D C 2.097 178.421 176.300 0.041 0.000 0.995 171 D CA 1.479 55.441 54.000 -0.064 0.000 0.846 171 D CB -0.125 40.633 40.800 -0.070 0.000 0.941 171 D HN 0.481 nan 8.370 nan 0.000 0.456 172 Q N 0.655 120.454 119.800 -0.002 0.000 1.990 172 Q HA -0.073 4.254 4.340 -0.022 0.000 0.200 172 Q C 2.111 178.145 176.000 0.056 0.000 0.980 172 Q CA 1.862 57.683 55.803 0.031 0.000 0.832 172 Q CB -0.525 28.222 28.738 0.015 0.000 0.897 172 Q HN 0.056 nan 8.270 nan 0.000 0.427 173 S N -0.375 115.360 115.700 0.059 0.000 2.374 173 S HA -0.222 4.235 4.470 -0.022 0.000 0.227 173 S C 1.650 176.343 174.600 0.155 0.000 1.037 173 S CA 1.476 59.740 58.200 0.106 0.000 1.024 173 S CB -0.756 62.626 63.200 0.303 0.000 0.861 173 S HN 0.579 nan 8.310 nan 0.000 0.456 174 Y N 2.265 122.644 120.300 0.131 0.000 2.128 174 Y HA -0.182 4.355 4.550 -0.023 0.000 0.284 174 Y C 2.415 178.394 175.900 0.131 0.000 1.154 174 Y CA 1.610 59.850 58.100 0.233 0.000 1.149 174 Y CB -0.127 38.447 38.460 0.190 0.000 0.976 174 Y HN 0.083 nan 8.280 nan 0.000 0.505 175 R N -0.062 120.618 120.500 0.300 0.000 2.092 175 R HA -0.138 4.189 4.340 -0.022 0.000 0.231 175 R C 1.786 178.123 176.300 0.062 0.000 1.119 175 R CA 1.349 57.557 56.100 0.181 0.000 0.970 175 R CB -0.350 30.046 30.300 0.161 0.000 0.864 175 R HN 0.369 nan 8.270 nan 0.000 0.440 176 D N 0.124 120.530 120.400 0.011 0.000 2.092 176 D HA -0.189 4.438 4.640 -0.022 0.000 0.193 176 D C 1.740 177.960 176.300 -0.132 0.000 0.994 176 D CA 1.424 55.374 54.000 -0.083 0.000 0.828 176 D CB -0.363 40.343 40.800 -0.157 0.000 0.963 176 D HN 0.142 nan 8.370 nan 0.000 0.450 177 Y N 1.315 121.459 120.300 -0.260 0.000 2.151 177 Y HA -0.173 4.364 4.550 -0.021 0.000 0.284 177 Y C 2.447 178.128 175.900 -0.365 0.000 1.166 177 Y CA 1.434 59.295 58.100 -0.398 0.000 1.163 177 Y CB -0.345 37.581 38.460 -0.890 0.000 0.974 177 Y HN 0.103 nan 8.280 nan 0.000 0.511 178 E N 0.238 120.377 120.200 -0.102 0.000 2.077 178 E HA -0.259 4.078 4.350 -0.022 0.000 0.193 178 E C 2.280 178.982 176.600 0.171 0.000 0.989 178 E CA 1.284 57.737 56.400 0.088 0.000 0.800 178 E CB -0.083 29.690 29.700 0.121 0.000 0.746 178 E HN 0.372 nan 8.360 nan 0.000 0.452 179 K N -0.080 120.376 120.400 0.093 0.000 2.026 179 K HA -0.133 4.174 4.320 -0.022 0.000 0.208 179 K C 2.095 178.712 176.600 0.029 0.000 1.048 179 K CA 1.080 57.413 56.287 0.077 0.000 0.929 179 K CB -0.161 32.360 32.500 0.036 0.000 0.713 179 K HN 0.141 nan 8.250 nan 0.000 0.439 180 A N 0.398 123.222 122.820 0.006 0.000 1.902 180 A HA -0.180 4.127 4.320 -0.022 0.000 0.217 180 A C 1.944 179.431 177.584 -0.162 0.000 1.181 180 A CA 1.299 53.292 52.037 -0.072 0.000 0.623 180 A CB -0.761 18.246 19.000 0.011 0.000 0.818 180 A HN 0.336 nan 8.150 nan 0.000 0.443 181 Y N 0.688 120.756 120.300 -0.388 0.000 2.114 181 Y HA -0.169 4.368 4.550 -0.022 0.000 0.284 181 Y C 3.100 178.451 175.900 -0.915 0.000 1.143 181 Y CA 1.023 58.590 58.100 -0.888 0.000 1.135 181 Y CB -0.996 36.775 38.460 -1.150 0.000 0.980 181 Y HN 0.286 nan 8.280 nan 0.000 0.499 182 S N -0.238 115.437 115.700 -0.041 0.000 2.365 182 S HA -0.267 4.190 4.470 -0.022 0.000 0.225 182 S C 2.128 176.766 174.600 0.063 0.000 1.039 182 S CA 1.697 60.062 58.200 0.275 0.000 1.033 182 S CB -0.316 63.138 63.200 0.424 0.000 0.887 182 S HN 0.391 nan 8.310 nan 0.000 0.447 183 R N 0.270 120.725 120.500 -0.074 0.000 2.081 183 R HA 0.046 4.373 4.340 -0.022 0.000 0.235 183 R C 2.266 178.415 176.300 -0.251 0.000 1.131 183 R CA 1.300 57.330 56.100 -0.116 0.000 0.960 183 R CB -0.394 29.822 30.300 -0.141 0.000 0.856 183 R HN 0.397 nan 8.270 nan 0.000 0.436 184 I N -0.141 120.126 120.570 -0.505 0.000 2.179 184 I HA -0.275 3.882 4.170 -0.022 0.000 0.242 184 I C 1.575 177.406 176.117 -0.476 0.000 1.088 184 I CA 1.301 62.228 61.300 -0.621 0.000 1.357 184 I CB -0.197 37.207 38.000 -0.994 0.000 1.051 184 I HN 0.071 nan 8.210 nan 0.000 0.409 185 F N 1.326 121.013 119.950 -0.437 0.000 2.407 185 F HA -0.137 4.376 4.527 -0.022 0.000 0.299 185 F C 2.537 178.214 175.800 -0.205 0.000 1.097 185 F CA 0.905 58.579 58.000 -0.544 0.000 1.422 185 F CB -0.945 37.252 39.000 -1.337 0.000 1.067 185 F HN 0.272 nan 8.300 nan 0.000 0.539 186 E N 0.949 121.228 120.200 0.133 0.000 2.152 186 E HA -0.157 4.181 4.350 -0.022 0.000 0.192 186 E C 1.839 178.500 176.600 0.102 0.000 0.983 186 E CA 0.803 57.340 56.400 0.228 0.000 0.818 186 E CB -0.504 29.363 29.700 0.277 0.000 0.758 186 E HN 0.402 nan 8.360 nan 0.000 0.467 187 R N 0.175 120.684 120.500 0.014 0.000 2.236 187 R HA 0.088 4.416 4.340 -0.022 0.000 0.208 187 R C 1.908 178.216 176.300 0.014 0.000 1.036 187 R CA 0.964 57.059 56.100 -0.008 0.000 1.001 187 R CB -0.219 30.038 30.300 -0.072 0.000 0.896 187 R HN 0.205 nan 8.270 nan 0.000 0.464 188 C N 0.567 119.886 119.300 0.032 0.000 2.576 188 C HA 0.193 4.640 4.460 -0.022 0.000 0.267 188 C C 1.449 176.508 174.990 0.115 0.000 1.364 188 C CA 0.318 59.381 59.018 0.075 0.000 1.723 188 C CB -1.025 26.771 27.740 0.093 0.000 1.778 188 C HN 0.787 nan 8.230 nan 0.000 0.572 189 G N 1.191 110.064 108.800 0.122 0.000 2.273 189 G HA2 -0.261 3.686 3.960 -0.022 0.000 0.280 189 G HA3 -0.261 3.686 3.960 -0.022 0.000 0.280 189 G C -0.147 174.842 174.900 0.148 0.000 1.047 189 G CA -0.037 45.140 45.100 0.128 0.000 0.869 189 G HN 0.579 nan 8.290 nan 0.000 0.502 190 L N -0.167 121.185 121.223 0.216 0.000 2.312 190 L HA 0.409 4.736 4.340 -0.022 0.000 0.281 190 L C 0.937 178.003 176.870 0.326 0.000 1.070 190 L CA -0.672 54.313 54.840 0.242 0.000 0.805 190 L CB 1.459 43.644 42.059 0.209 0.000 1.174 190 L HN 0.303 nan 8.230 nan 0.000 0.434 191 E N 4.262 124.565 120.200 0.171 0.000 2.166 191 E HA 0.260 4.597 4.350 -0.022 0.000 0.279 191 E C -1.449 175.241 176.600 0.150 0.000 1.095 191 E CA -0.236 56.218 56.400 0.090 0.000 0.888 191 E CB 0.370 30.076 29.700 0.011 0.000 1.041 191 E HN 0.366 nan 8.360 nan 0.000 0.414 192 F N 1.908 121.850 119.950 -0.013 0.000 2.654 192 F HA 0.595 5.109 4.527 -0.021 0.000 0.308 192 F C -1.353 174.445 175.800 -0.005 0.000 1.108 192 F CA -1.208 56.776 58.000 -0.026 0.000 0.957 192 F CB 1.164 40.149 39.000 -0.024 0.000 1.309 192 F HN 0.131 nan 8.300 nan 0.000 0.446 193 R N 1.734 122.231 120.500 -0.006 0.000 2.740 193 R HA 0.828 5.155 4.340 -0.022 0.000 0.282 193 R C -1.063 175.244 176.300 0.012 0.000 0.969 193 R CA -1.287 54.743 56.100 -0.116 0.000 0.918 193 R CB 2.225 32.437 30.300 -0.148 0.000 1.175 193 R HN 0.971 nan 8.270 nan 0.000 0.464 194 A N 3.594 126.340 122.820 -0.122 0.000 2.309 194 A HA 0.661 4.968 4.320 -0.022 0.000 0.298 194 A C 0.032 177.442 177.584 -0.290 0.000 1.165 194 A CA -0.563 51.196 52.037 -0.463 0.000 0.821 194 A CB 0.214 18.816 19.000 -0.663 0.000 1.102 194 A HN 0.785 nan 8.150 nan 0.000 0.500 195 I N -0.859 119.535 120.570 -0.293 0.000 2.994 195 I HA 0.592 4.749 4.170 -0.022 0.000 0.306 195 I C -0.789 175.219 176.117 -0.182 0.000 1.195 195 I CA -1.268 59.903 61.300 -0.214 0.000 1.001 195 I CB 1.829 39.718 38.000 -0.184 0.000 1.244 195 I HN 0.468 nan 8.210 nan 0.000 0.437 196 I N 3.486 123.962 120.570 -0.156 0.000 2.668 196 I HA 0.319 4.476 4.170 -0.022 0.000 0.285 196 I C 1.043 177.105 176.117 -0.092 0.000 1.168 196 I CA 0.837 62.087 61.300 -0.083 0.000 1.424 196 I CB 0.168 38.134 38.000 -0.057 0.000 1.377 196 I HN 0.798 nan 8.210 nan 0.000 0.560 197 G N 3.843 112.606 108.800 -0.063 0.000 2.820 197 G HA2 0.305 4.252 3.960 -0.022 0.000 0.291 197 G HA3 0.305 4.252 3.960 -0.022 0.000 0.291 197 G C -1.169 173.706 174.900 -0.041 0.000 1.323 197 G CA -0.504 44.527 45.100 -0.116 0.000 1.055 197 G HN 0.566 nan 8.290 nan 0.000 0.520 198 D N -0.907 119.448 120.400 -0.076 0.000 2.371 198 D HA 0.358 4.985 4.640 -0.022 0.000 0.256 198 D C 1.331 177.586 176.300 -0.074 0.000 1.193 198 D CA 0.301 54.265 54.000 -0.060 0.000 0.881 198 D CB 1.051 41.804 40.800 -0.078 0.000 1.143 198 D HN 0.348 nan 8.370 nan 0.000 0.473 199 G N 2.574 111.400 108.800 0.042 0.000 3.042 199 G HA2 0.432 4.379 3.960 -0.022 0.000 0.212 199 G HA3 0.432 4.379 3.960 -0.022 0.000 0.212 199 G C 0.919 175.972 174.900 0.255 0.000 1.166 199 G CA 0.294 45.531 45.100 0.229 0.000 0.767 199 G HN 0.996 nan 8.290 nan 0.000 0.546 200 G N -0.390 108.459 108.800 0.080 0.000 2.593 200 G HA2 0.269 4.216 3.960 -0.022 0.000 0.237 200 G HA3 0.269 4.216 3.960 -0.022 0.000 0.237 200 G C 0.452 175.377 174.900 0.040 0.000 1.312 200 G CA -0.131 45.009 45.100 0.066 0.000 0.896 200 G HN 1.303 nan 8.290 nan 0.000 0.574 201 A N -1.626 121.201 122.820 0.011 0.000 2.257 201 A HA 0.763 5.070 4.320 -0.022 0.000 0.290 201 A C 1.361 178.928 177.584 -0.028 0.000 1.201 201 A CA 0.900 52.918 52.037 -0.032 0.000 0.863 201 A CB 0.204 19.161 19.000 -0.072 0.000 1.256 201 A HN 2.074 nan 8.150 nan 0.000 0.506 202 M N -1.314 118.251 119.600 -0.059 0.000 2.537 202 M HA -0.214 4.253 4.480 -0.022 0.000 0.205 202 M C 1.007 177.292 176.300 -0.026 0.000 0.450 202 M CA 1.233 56.500 55.300 -0.055 0.000 0.553 202 M CB -2.595 29.971 32.600 -0.056 0.000 2.046 202 M HN 2.365 nan 8.290 nan 0.000 0.797 203 G N -1.359 107.435 108.800 -0.010 0.000 2.199 203 G HA2 0.089 4.036 3.960 -0.022 0.000 0.254 203 G HA3 0.089 4.036 3.960 -0.022 0.000 0.254 203 G C 0.947 175.860 174.900 0.022 0.000 0.982 203 G CA 0.885 45.991 45.100 0.010 0.000 0.632 203 G HN 2.203 nan 8.290 nan 0.000 0.529 204 G N -1.024 107.794 108.800 0.030 0.000 2.733 204 G HA2 0.210 4.157 3.960 -0.022 0.000 0.686 204 G HA3 0.210 4.157 3.960 -0.022 0.000 0.686 204 G C -0.427 174.512 174.900 0.065 0.000 1.373 204 G CA 0.279 45.423 45.100 0.073 0.000 0.838 204 G HN 0.942 nan 8.290 nan 0.000 0.588 205 K N 0.392 120.870 120.400 0.130 0.000 2.238 205 K HA 0.448 4.755 4.320 -0.022 0.000 0.239 205 K C -0.663 176.007 176.600 0.116 0.000 0.987 205 K CA -1.066 55.233 56.287 0.022 0.000 0.857 205 K CB 1.306 33.689 32.500 -0.195 0.000 1.154 205 K HN 0.527 nan 8.250 nan 0.000 0.439 206 D N 1.250 121.630 120.400 -0.033 0.000 2.487 206 D HA 0.024 4.651 4.640 -0.022 0.000 0.243 206 D C -0.434 176.067 176.300 0.335 0.000 1.154 206 D CA 0.864 54.865 54.000 0.002 0.000 0.876 206 D CB 0.604 41.161 40.800 -0.405 0.000 1.161 206 D HN 0.243 nan 8.370 nan 0.000 0.478 207 S N 2.045 118.018 115.700 0.455 0.000 2.720 207 S HA 0.356 4.813 4.470 -0.022 0.000 0.278 207 S C -1.064 173.760 174.600 0.375 0.000 1.172 207 S CA -0.896 57.656 58.200 0.587 0.000 1.019 207 S CB 0.580 64.029 63.200 0.415 0.000 1.049 207 S HN 0.371 nan 8.310 nan 0.000 0.483 208 K N 3.759 124.398 120.400 0.398 0.000 2.579 208 K HA 0.399 4.706 4.320 -0.022 0.000 0.250 208 K C -0.855 175.782 176.600 0.061 0.000 0.952 208 K CA -0.428 55.936 56.287 0.129 0.000 0.857 208 K CB 1.096 33.659 32.500 0.105 0.000 1.123 208 K HN 0.616 nan 8.250 nan 0.000 0.433 209 E N 2.808 122.889 120.200 -0.199 0.000 2.277 209 E HA 0.258 4.595 4.350 -0.022 0.000 0.274 209 E C -1.022 175.487 176.600 -0.152 0.000 1.022 209 E CA -0.561 55.721 56.400 -0.196 0.000 0.853 209 E CB 1.075 30.570 29.700 -0.343 0.000 1.086 209 E HN 0.330 nan 8.360 nan 0.000 0.397 210 F N 2.222 122.214 119.950 0.070 0.000 2.444 210 F HA 0.385 4.898 4.527 -0.022 0.000 0.342 210 F C 0.161 175.917 175.800 -0.072 0.000 1.121 210 F CA -0.840 57.213 58.000 0.088 0.000 0.997 210 F CB 1.043 40.161 39.000 0.198 0.000 1.130 210 F HN 0.107 nan 8.300 nan 0.000 0.454 211 M N 3.195 122.845 119.600 0.084 0.000 2.190 211 M HA 0.429 4.896 4.480 -0.022 0.000 0.312 211 M C -0.451 175.861 176.300 0.021 0.000 0.990 211 M CA -0.763 54.535 55.300 -0.003 0.000 0.927 211 M CB 1.719 34.301 32.600 -0.031 0.000 1.571 211 M HN 0.641 nan 8.290 nan 0.000 0.427 212 A N 4.377 127.166 122.820 -0.052 0.000 2.404 212 A HA 0.525 4.832 4.320 -0.022 0.000 0.273 212 A C 0.012 177.587 177.584 -0.015 0.000 1.144 212 A CA -0.416 51.611 52.037 -0.018 0.000 0.806 212 A CB -0.303 18.653 19.000 -0.073 0.000 1.080 212 A HN 0.758 nan 8.150 nan 0.000 0.509 213 I N 2.506 123.074 120.570 -0.004 0.000 2.598 213 I HA 0.245 4.402 4.170 -0.022 0.000 0.284 213 I C 0.850 176.954 176.117 -0.022 0.000 1.140 213 I CA 1.326 62.611 61.300 -0.026 0.000 1.420 213 I CB 0.875 38.845 38.000 -0.050 0.000 1.387 213 I HN 0.537 nan 8.210 nan 0.000 0.553 214 S N 4.349 120.036 115.700 -0.022 0.000 2.584 214 S HA 0.280 4.737 4.470 -0.022 0.000 0.280 214 S C 0.413 175.005 174.600 -0.014 0.000 1.162 214 S CA -0.700 57.487 58.200 -0.021 0.000 0.951 214 S CB 0.878 64.061 63.200 -0.028 0.000 1.108 214 S HN 0.706 nan 8.310 nan 0.000 0.464 215 E N 2.215 122.410 120.200 -0.009 0.000 2.401 215 E HA -0.124 4.213 4.350 -0.022 0.000 0.199 215 E C 1.209 177.805 176.600 -0.007 0.000 1.023 215 E CA 1.497 57.896 56.400 -0.001 0.000 0.859 215 E CB -0.268 29.432 29.700 0.000 0.000 0.780 215 E HN 0.717 nan 8.360 nan 0.000 0.523 216 I N -3.698 116.863 120.570 -0.015 0.000 4.018 216 I HA 0.259 4.416 4.170 -0.022 0.000 0.337 216 I C 1.017 177.119 176.117 -0.025 0.000 1.327 216 I CA -0.461 60.828 61.300 -0.018 0.000 1.100 216 I CB 0.230 38.219 38.000 -0.018 0.000 1.025 216 I HN -0.225 nan 8.210 nan 0.000 0.396 217 G N 1.312 110.096 108.800 -0.027 0.000 2.349 217 G HA2 -0.019 3.928 3.960 -0.022 0.000 0.232 217 G HA3 -0.019 3.928 3.960 -0.022 0.000 0.232 217 G C 0.415 175.292 174.900 -0.039 0.000 1.240 217 G CA -0.016 45.063 45.100 -0.035 0.000 0.870 217 G HN 0.561 nan 8.290 nan 0.000 0.528 218 E N 0.739 120.911 120.200 -0.046 0.000 2.442 218 E HA 0.035 4.372 4.350 -0.022 0.000 0.195 218 E C -0.055 176.509 176.600 -0.060 0.000 1.030 218 E CA 0.220 56.591 56.400 -0.049 0.000 0.869 218 E CB 0.317 29.990 29.700 -0.046 0.000 0.857 218 E HN 0.634 nan 8.360 nan 0.000 0.505 219 D N -0.251 120.110 120.400 -0.064 0.000 2.181 219 D HA 0.195 4.822 4.640 -0.022 0.000 0.248 219 D C -0.870 175.376 176.300 -0.090 0.000 1.020 219 D CA -0.154 53.799 54.000 -0.080 0.000 0.891 219 D CB 1.808 42.561 40.800 -0.079 0.000 1.187 219 D HN -0.250 nan 8.370 nan 0.000 0.443 220 T N 1.580 116.054 114.554 -0.134 0.000 2.758 220 T HA 0.438 4.775 4.350 -0.022 0.000 0.285 220 T C 0.200 174.810 174.700 -0.150 0.000 0.981 220 T CA -0.508 61.483 62.100 -0.182 0.000 0.965 220 T CB 0.311 68.948 68.868 -0.387 0.000 0.927 220 T HN 0.185 nan 8.240 nan 0.000 0.448 221 I N 2.797 123.340 120.570 -0.045 0.000 2.325 221 I HA 0.250 4.407 4.170 -0.022 0.000 0.291 221 I C 0.044 176.257 176.117 0.160 0.000 1.019 221 I CA -0.595 60.721 61.300 0.027 0.000 1.302 221 I CB 0.644 38.675 38.000 0.052 0.000 1.401 221 I HN 0.571 nan 8.210 nan 0.000 0.485 222 C N 7.300 126.669 119.300 0.114 0.000 2.225 222 C HA 0.446 4.893 4.460 -0.022 0.000 0.328 222 C C -0.018 175.110 174.990 0.230 0.000 1.187 222 C CA -0.715 58.465 59.018 0.271 0.000 1.665 222 C CB -1.484 26.417 27.740 0.268 0.000 2.253 222 C HN 0.644 nan 8.230 nan 0.000 0.497 223 Y N 0.986 121.384 120.300 0.163 0.000 2.549 223 Y HA 0.749 5.286 4.550 -0.022 0.000 0.339 223 Y C 0.147 176.172 175.900 0.208 0.000 1.053 223 Y CA -0.961 57.208 58.100 0.115 0.000 1.105 223 Y CB 0.724 39.206 38.460 0.036 0.000 1.258 223 Y HN 0.410 nan 8.280 nan 0.000 0.478 224 S N 0.269 116.168 115.700 0.331 0.000 2.562 224 S HA 0.169 4.626 4.470 -0.022 0.000 0.275 224 S C 1.020 175.722 174.600 0.169 0.000 1.281 224 S CA -0.031 58.279 58.200 0.183 0.000 1.045 224 S CB 0.549 63.876 63.200 0.211 0.000 0.962 224 S HN 0.954 nan 8.310 nan 0.000 0.503 225 T N 1.575 116.155 114.554 0.043 0.000 3.035 225 T HA 0.128 4.465 4.350 -0.022 0.000 0.268 225 T C 0.761 175.511 174.700 0.083 0.000 1.109 225 T CA 0.702 62.844 62.100 0.070 0.000 1.119 225 T CB -0.089 68.778 68.868 -0.002 0.000 0.900 225 T HN 0.684 nan 8.240 nan 0.000 0.503 226 E N 0.668 120.913 120.200 0.074 0.000 2.572 226 E HA 0.228 4.565 4.350 -0.022 0.000 0.220 226 E C 0.685 177.326 176.600 0.067 0.000 0.945 226 E CA 0.215 56.648 56.400 0.056 0.000 1.070 226 E CB 1.150 30.867 29.700 0.029 0.000 1.090 226 E HN 0.685 nan 8.360 nan 0.000 0.506 227 S N 0.458 116.218 115.700 0.101 0.000 2.903 227 S HA 0.228 4.685 4.470 -0.022 0.000 0.314 227 S C 0.254 174.936 174.600 0.137 0.000 1.177 227 S CA -0.455 57.809 58.200 0.106 0.000 0.859 227 S CB 1.135 64.396 63.200 0.101 0.000 1.265 227 S HN -0.067 nan 8.310 nan 0.000 0.584 228 D N -0.683 119.790 120.400 0.122 0.000 2.350 228 D HA 0.006 4.633 4.640 -0.022 0.000 0.213 228 D C 0.417 176.785 176.300 0.113 0.000 1.031 228 D CA -0.156 53.899 54.000 0.090 0.000 0.861 228 D CB -0.666 40.165 40.800 0.053 0.000 0.926 228 D HN 0.534 nan 8.370 nan 0.000 0.520 229 Y N 2.283 122.620 120.300 0.061 0.000 2.895 229 Y HA 0.205 4.742 4.550 -0.022 0.000 0.334 229 Y C -0.304 175.657 175.900 0.101 0.000 1.261 229 Y CA 0.241 58.380 58.100 0.066 0.000 1.560 229 Y CB 0.282 38.776 38.460 0.058 0.000 1.253 229 Y HN 0.181 nan 8.280 nan 0.000 0.582 230 A N 4.955 127.273 122.820 -0.836 0.000 2.530 230 A HA 0.795 5.102 4.320 -0.022 0.000 0.297 230 A C -1.682 175.536 177.584 -0.609 0.000 1.059 230 A CA -0.134 51.584 52.037 -0.533 0.000 0.782 230 A CB 0.378 19.268 19.000 -0.183 0.000 1.301 230 A HN 1.479 nan 8.150 nan 0.000 0.394 231 A N 2.413 124.952 122.820 -0.470 0.000 2.486 231 A HA 0.747 5.054 4.320 -0.022 0.000 0.300 231 A C -0.168 177.337 177.584 -0.132 0.000 1.048 231 A CA -0.706 51.172 52.037 -0.265 0.000 0.696 231 A CB 0.978 19.868 19.000 -0.183 0.000 1.278 231 A HN 1.003 nan 8.150 nan 0.000 0.405 232 N N 0.963 119.594 118.700 -0.114 0.000 2.294 232 N HA -0.090 4.637 4.740 -0.022 0.000 0.248 232 N C 1.129 176.600 175.510 -0.064 0.000 1.242 232 N CA -0.033 52.960 53.050 -0.095 0.000 0.848 232 N CB 0.415 38.842 38.487 -0.100 0.000 1.084 232 N HN 0.779 nan 8.380 nan 0.000 0.457 233 L N 4.497 125.659 121.223 -0.102 0.000 2.089 233 L HA -0.206 4.121 4.340 -0.022 0.000 0.213 233 L C 1.872 178.798 176.870 0.093 0.000 1.079 233 L CA 1.888 56.674 54.840 -0.089 0.000 0.758 233 L CB -0.737 41.144 42.059 -0.297 0.000 0.891 233 L HN 0.683 nan 8.230 nan 0.000 0.433 234 E N -1.405 118.845 120.200 0.083 0.000 2.171 234 E HA -0.238 4.099 4.350 -0.022 0.000 0.197 234 E C 1.735 178.323 176.600 -0.020 0.000 0.997 234 E CA 1.442 57.880 56.400 0.063 0.000 0.810 234 E CB -0.164 29.545 29.700 0.014 0.000 0.738 234 E HN 0.480 nan 8.360 nan 0.000 0.467 235 M N -0.671 118.927 119.600 -0.003 0.000 2.379 235 M HA 0.233 4.700 4.480 -0.022 0.000 0.265 235 M C 0.634 176.967 176.300 0.055 0.000 1.095 235 M CA -0.045 55.257 55.300 0.003 0.000 1.075 235 M CB -0.093 32.507 32.600 -0.001 0.000 1.443 235 M HN -0.126 nan 8.290 nan 0.000 0.519 236 A N 2.306 125.177 122.820 0.084 0.000 2.587 236 A HA 0.289 4.596 4.320 -0.022 0.000 0.235 236 A C 0.751 178.428 177.584 0.156 0.000 1.044 236 A CA 0.775 52.925 52.037 0.189 0.000 0.754 236 A CB -0.405 18.714 19.000 0.197 0.000 0.968 236 A HN 0.530 nan 8.150 nan 0.000 0.509 237 T N -0.409 114.258 114.554 0.189 0.000 2.901 237 T HA 0.814 5.151 4.350 -0.022 0.000 0.293 237 T C -0.212 174.500 174.700 0.021 0.000 1.084 237 T CA -0.038 62.104 62.100 0.070 0.000 1.008 237 T CB 1.604 70.495 68.868 0.038 0.000 1.170 237 T HN 1.552 nan 8.240 nan 0.000 0.509 238 S N 0.684 116.381 115.700 -0.005 0.000 2.671 238 S HA 0.675 5.132 4.470 -0.022 0.000 0.299 238 S C -0.709 173.884 174.600 -0.012 0.000 1.116 238 S CA -1.081 57.101 58.200 -0.030 0.000 0.912 238 S CB 1.065 64.267 63.200 0.004 0.000 1.130 238 S HN 0.815 nan 8.310 nan 0.000 0.501 239 L N 2.791 123.997 121.223 -0.029 0.000 2.615 239 L HA 0.269 4.597 4.340 -0.022 0.000 0.271 239 L C -0.720 176.193 176.870 0.072 0.000 1.183 239 L CA 0.224 55.063 54.840 -0.001 0.000 0.933 239 L CB -0.907 41.132 42.059 -0.034 0.000 1.199 239 L HN 0.764 nan 8.230 nan 0.000 0.487 240 Y N 4.400 124.678 120.300 -0.037 0.000 2.320 240 Y HA 0.531 5.068 4.550 -0.021 0.000 0.334 240 Y C -0.274 175.612 175.900 -0.023 0.000 1.055 240 Y CA -0.782 57.303 58.100 -0.025 0.000 1.143 240 Y CB 0.939 39.385 38.460 -0.023 0.000 1.193 240 Y HN 0.696 nan 8.280 nan 0.000 0.477 241 T N 7.950 122.153 114.554 -0.586 0.000 2.847 241 T HA 0.292 4.629 4.350 -0.022 0.000 0.291 241 T C -2.836 171.367 174.700 -0.828 0.000 0.998 241 T CA -1.809 59.931 62.100 -0.599 0.000 0.967 241 T CB 1.248 69.958 68.868 -0.264 0.000 0.954 241 T HN 0.441 nan 8.240 nan 0.000 0.441 242 P HA 0.027 nan 4.420 nan 0.000 0.235 242 P C -0.398 176.770 177.300 -0.220 0.000 1.080 242 P CA 0.162 62.999 63.100 -0.437 0.000 1.096 242 P CB -0.261 31.291 31.700 -0.247 0.000 1.085 243 K N 3.104 123.413 120.400 -0.151 0.000 2.559 243 K HA 0.136 4.443 4.320 -0.022 0.000 0.236 243 K C 0.060 176.651 176.600 -0.014 0.000 1.185 243 K CA -0.390 55.861 56.287 -0.061 0.000 1.157 243 K CB 0.249 32.730 32.500 -0.033 0.000 1.782 243 K HN 0.243 nan 8.250 nan 0.000 0.419 244 K N 1.442 121.830 120.400 -0.021 0.000 2.315 244 K HA -0.016 4.291 4.320 -0.022 0.000 0.281 244 K C 0.230 176.850 176.600 0.034 0.000 1.086 244 K CA -0.022 56.263 56.287 -0.004 0.000 1.042 244 K CB 0.375 32.864 32.500 -0.018 0.000 0.949 244 K HN 0.163 nan 8.250 nan 0.000 0.450 245 S N 3.600 119.319 115.700 0.030 0.000 2.737 245 S HA -0.103 4.354 4.470 -0.022 0.000 0.315 245 S C 1.182 175.799 174.600 0.028 0.000 1.236 245 S CA -0.604 57.615 58.200 0.031 0.000 1.093 245 S CB 0.047 63.240 63.200 -0.011 0.000 0.832 245 S HN 0.685 nan 8.310 nan 0.000 0.507 246 H N 2.983 122.045 119.070 -0.015 0.000 2.566 246 H HA 0.290 4.833 4.556 -0.022 0.000 0.280 246 H C 0.408 175.731 175.328 -0.009 0.000 1.042 246 H CA -0.129 55.911 56.048 -0.014 0.000 1.168 246 H CB -0.274 29.479 29.762 -0.015 0.000 1.340 246 H HN 0.733 nan 8.280 nan 0.000 0.597 247 E N 1.778 121.795 120.200 -0.304 0.000 2.398 247 E HA 0.049 4.386 4.350 -0.022 0.000 0.263 247 E C -0.422 176.115 176.600 -0.105 0.000 1.046 247 E CA -0.250 56.007 56.400 -0.239 0.000 0.908 247 E CB 0.797 30.392 29.700 -0.175 0.000 0.963 247 E HN 0.206 nan 8.360 nan 0.000 0.431 248 T N 4.437 118.944 114.554 -0.077 0.000 2.834 248 T HA 0.005 4.342 4.350 -0.022 0.000 0.298 248 T C -0.140 174.543 174.700 -0.028 0.000 0.966 248 T CA -0.093 61.985 62.100 -0.036 0.000 1.141 248 T CB 0.604 69.458 68.868 -0.024 0.000 0.905 248 T HN 0.422 nan 8.240 nan 0.000 0.535 249 Q N 3.547 123.336 119.800 -0.019 0.000 2.301 249 Q HA 0.171 4.498 4.340 -0.022 0.000 0.262 249 Q C 0.001 175.996 176.000 -0.008 0.000 1.168 249 Q CA -0.006 55.789 55.803 -0.014 0.000 0.908 249 Q CB 0.136 28.866 28.738 -0.014 0.000 1.348 249 Q HN 0.543 nan 8.270 nan 0.000 0.441 250 L N 1.522 122.742 121.223 -0.005 0.000 2.475 250 L HA 0.191 4.518 4.340 -0.022 0.000 0.253 250 L C 0.305 177.179 176.870 0.007 0.000 1.198 250 L CA -0.680 54.161 54.840 0.002 0.000 0.814 250 L CB 0.440 42.501 42.059 0.004 0.000 1.134 250 L HN 0.430 nan 8.230 nan 0.000 0.478 251 D N 1.393 121.800 120.400 0.012 0.000 2.350 251 D HA 0.228 4.855 4.640 -0.022 0.000 0.249 251 D C -0.055 176.257 176.300 0.020 0.000 1.119 251 D CA -0.166 53.843 54.000 0.015 0.000 0.886 251 D CB 1.222 42.033 40.800 0.018 0.000 1.195 251 D HN 0.256 nan 8.370 nan 0.000 0.437 252 L N 2.664 123.901 121.223 0.022 0.000 2.499 252 L HA 0.048 4.375 4.340 -0.022 0.000 0.273 252 L C 0.184 177.074 176.870 0.032 0.000 1.195 252 L CA 0.398 55.255 54.840 0.027 0.000 0.882 252 L CB 0.100 42.179 42.059 0.032 0.000 1.133 252 L HN 0.384 nan 8.230 nan 0.000 0.483 253 E N 4.614 124.838 120.200 0.041 0.000 2.314 253 E HA 0.277 4.614 4.350 -0.022 0.000 0.272 253 E C -1.509 175.140 176.600 0.081 0.000 0.884 253 E CA -1.113 55.323 56.400 0.061 0.000 0.753 253 E CB 1.984 31.730 29.700 0.077 0.000 1.213 253 E HN 0.390 nan 8.360 nan 0.000 0.432 254 K N 3.290 123.745 120.400 0.093 0.000 2.267 254 K HA 0.335 4.642 4.320 -0.022 0.000 0.282 254 K C -0.858 175.876 176.600 0.223 0.000 1.078 254 K CA -0.312 56.055 56.287 0.133 0.000 0.903 254 K CB 0.428 32.969 32.500 0.069 0.000 1.111 254 K HN 0.480 nan 8.250 nan 0.000 0.475 255 I N 3.819 124.557 120.570 0.279 0.000 2.378 255 I HA 0.282 4.439 4.170 -0.022 0.000 0.291 255 I C 0.208 176.460 176.117 0.226 0.000 0.992 255 I CA -1.149 60.333 61.300 0.303 0.000 1.154 255 I CB 1.786 40.044 38.000 0.430 0.000 1.315 255 I HN 0.658 nan 8.210 nan 0.000 0.448 256 A N 4.208 127.082 122.820 0.091 0.000 2.524 256 A HA 0.377 4.684 4.320 -0.022 0.000 0.250 256 A C 0.609 177.971 177.584 -0.371 0.000 1.078 256 A CA 0.072 51.923 52.037 -0.309 0.000 0.761 256 A CB -0.295 18.544 19.000 -0.269 0.000 1.012 256 A HN 0.816 nan 8.150 nan 0.000 0.500 257 T N 1.481 115.714 114.554 -0.535 0.000 3.585 257 T HA 0.459 4.796 4.350 -0.022 0.000 0.252 257 T C -2.718 171.723 174.700 -0.433 0.000 1.382 257 T CA -1.517 60.101 62.100 -0.803 0.000 1.584 257 T CB 0.428 68.829 68.868 -0.779 0.000 0.892 257 T HN 0.468 nan 8.240 nan 0.000 0.671 258 P HA 0.122 nan 4.420 nan 0.000 0.265 258 P C 0.494 177.738 177.300 -0.093 0.000 1.193 258 P CA 0.673 63.677 63.100 -0.161 0.000 0.765 258 P CB 0.516 32.157 31.700 -0.097 0.000 0.823 259 E N -0.968 119.196 120.200 -0.060 0.000 3.547 259 E HA -0.155 4.182 4.350 -0.022 0.000 0.300 259 E C -0.288 176.298 176.600 -0.024 0.000 0.857 259 E CA 0.709 57.095 56.400 -0.024 0.000 1.039 259 E CB -2.052 27.644 29.700 -0.007 0.000 1.524 259 E HN 0.309 nan 8.360 nan 0.000 0.457 260 V N 0.819 120.690 119.914 -0.072 0.000 2.304 260 V HA 0.376 4.483 4.120 -0.022 0.000 0.262 260 V C 1.372 177.480 176.094 0.023 0.000 1.061 260 V CA 0.751 62.998 62.300 -0.088 0.000 0.872 260 V CB 1.080 32.715 31.823 -0.314 0.000 1.077 260 V HN 0.324 nan 8.190 nan 0.000 0.480 261 G N 3.904 112.739 108.800 0.059 0.000 2.651 261 G HA2 0.075 4.022 3.960 -0.022 0.000 0.226 261 G HA3 0.075 4.022 3.960 -0.022 0.000 0.226 261 G C 0.869 175.846 174.900 0.129 0.000 1.542 261 G CA 0.701 45.874 45.100 0.122 0.000 0.868 261 G HN 0.667 nan 8.290 nan 0.000 0.588 262 T N 0.175 114.779 114.554 0.084 0.000 2.779 262 T HA -0.018 4.319 4.350 -0.022 0.000 0.348 262 T C 1.616 176.363 174.700 0.079 0.000 1.090 262 T CA -0.097 62.049 62.100 0.077 0.000 1.111 262 T CB 0.414 69.312 68.868 0.051 0.000 1.026 262 T HN -0.002 nan 8.240 nan 0.000 0.547 263 I N 1.845 122.462 120.570 0.080 0.000 2.208 263 I HA -0.142 4.015 4.170 -0.022 0.000 0.245 263 I C 2.943 179.097 176.117 0.062 0.000 1.097 263 I CA 1.831 63.176 61.300 0.075 0.000 1.363 263 I CB -2.249 35.792 38.000 0.068 0.000 1.051 263 I HN 0.925 nan 8.210 nan 0.000 0.413 264 A N 0.290 123.141 122.820 0.051 0.000 1.898 264 A HA -0.192 4.115 4.320 -0.022 0.000 0.216 264 A C 2.268 179.880 177.584 0.046 0.000 1.181 264 A CA 1.454 53.517 52.037 0.044 0.000 0.620 264 A CB -0.561 18.459 19.000 0.033 0.000 0.819 264 A HN 0.463 nan 8.150 nan 0.000 0.442 265 E N -0.486 119.740 120.200 0.043 0.000 2.106 265 E HA -0.085 4.252 4.350 -0.022 0.000 0.192 265 E C 1.926 178.561 176.600 0.058 0.000 0.984 265 E CA 1.081 57.506 56.400 0.042 0.000 0.806 265 E CB -0.153 29.564 29.700 0.027 0.000 0.750 265 E HN 0.391 nan 8.360 nan 0.000 0.458 266 V N 1.249 121.191 119.914 0.046 0.000 2.358 266 V HA -0.253 3.854 4.120 -0.022 0.000 0.246 266 V C 2.291 178.522 176.094 0.229 0.000 1.047 266 V CA 1.708 64.066 62.300 0.095 0.000 1.035 266 V CB -0.673 31.163 31.823 0.022 0.000 0.658 266 V HN 0.315 nan 8.190 nan 0.000 0.452 267 A N 0.738 123.641 122.820 0.139 0.000 1.873 267 A HA -0.280 4.027 4.320 -0.022 0.000 0.218 267 A C 2.080 179.726 177.584 0.105 0.000 1.193 267 A CA 2.321 54.431 52.037 0.121 0.000 0.629 267 A CB -0.804 18.238 19.000 0.071 0.000 0.826 267 A HN 0.583 nan 8.150 nan 0.000 0.447 268 N N -1.096 117.644 118.700 0.068 0.000 2.104 268 N HA -0.155 4.572 4.740 -0.022 0.000 0.190 268 N C 1.453 176.949 175.510 -0.022 0.000 1.024 268 N CA 1.570 54.632 53.050 0.020 0.000 0.853 268 N CB -0.651 37.842 38.487 0.010 0.000 1.008 268 N HN 0.556 nan 8.380 nan 0.000 0.424 269 F N 0.048 119.903 119.950 -0.158 0.000 2.134 269 F HA -0.083 4.431 4.527 -0.021 0.000 0.299 269 F C 1.343 176.842 175.800 -0.501 0.000 1.097 269 F CA 1.315 59.082 58.000 -0.389 0.000 1.264 269 F CB -0.045 38.597 39.000 -0.596 0.000 1.001 269 F HN -0.088 nan 8.300 nan 0.000 0.479 270 F N 0.291 120.332 119.950 0.152 0.000 2.695 270 F HA 0.182 4.696 4.527 -0.022 0.000 0.303 270 F C 0.496 176.305 175.800 0.015 0.000 1.091 270 F CA -0.096 57.960 58.000 0.094 0.000 1.300 270 F CB -0.645 38.431 39.000 0.126 0.000 1.071 270 F HN -0.136 nan 8.300 nan 0.000 0.578 271 E N 0.757 121.017 120.200 0.099 0.000 2.183 271 E HA -0.157 4.180 4.350 -0.022 0.000 0.196 271 E C -0.631 176.019 176.600 0.083 0.000 1.364 271 E CA 0.295 56.727 56.400 0.053 0.000 0.700 271 E CB -1.518 28.180 29.700 -0.002 0.000 1.106 271 E HN 0.282 nan 8.360 nan 0.000 0.347 272 V N -2.731 117.249 119.914 0.110 0.000 3.126 272 V HA 0.574 4.681 4.120 -0.022 0.000 0.314 272 V C 0.352 176.482 176.094 0.060 0.000 1.138 272 V CA -1.255 61.096 62.300 0.085 0.000 1.034 272 V CB 2.203 34.085 31.823 0.099 0.000 1.075 272 V HN 0.040 nan 8.190 nan 0.000 0.442 273 E N 1.604 121.827 120.200 0.038 0.000 2.343 273 E HA 0.308 4.646 4.350 -0.022 0.000 0.269 273 E C -2.056 174.557 176.600 0.022 0.000 1.047 273 E CA -2.277 54.138 56.400 0.024 0.000 0.874 273 E CB 1.112 30.819 29.700 0.012 0.000 1.033 273 E HN 0.473 nan 8.360 nan 0.000 0.409 274 P HA -0.169 nan 4.420 nan 0.000 0.218 274 P C 0.881 178.170 177.300 -0.019 0.000 1.146 274 P CA 1.275 64.380 63.100 0.008 0.000 0.813 274 P CB 0.330 32.031 31.700 0.003 0.000 0.778 275 Q N -1.109 118.670 119.800 -0.035 0.000 2.291 275 Q HA -0.129 4.198 4.340 -0.022 0.000 0.206 275 Q C 2.130 178.120 176.000 -0.017 0.000 0.976 275 Q CA 1.151 56.923 55.803 -0.052 0.000 0.875 275 Q CB -0.698 28.016 28.738 -0.041 0.000 0.927 275 Q HN 0.251 nan 8.270 nan 0.000 0.450 276 R N -0.226 120.273 120.500 -0.001 0.000 2.276 276 R HA 0.142 4.469 4.340 -0.022 0.000 0.196 276 R C -0.152 176.152 176.300 0.007 0.000 0.961 276 R CA 0.087 56.191 56.100 0.006 0.000 1.024 276 R CB 0.304 30.608 30.300 0.006 0.000 0.940 276 R HN 0.154 nan 8.270 nan 0.000 0.480 277 I N 0.850 121.427 120.570 0.011 0.000 2.664 277 I HA 0.257 4.414 4.170 -0.022 0.000 0.308 277 I C -0.128 176.006 176.117 0.029 0.000 0.984 277 I CA -0.955 60.356 61.300 0.019 0.000 1.213 277 I CB 1.824 39.846 38.000 0.036 0.000 1.379 277 I HN -0.053 nan 8.210 nan 0.000 0.501 278 I N 4.025 124.612 120.570 0.029 0.000 2.378 278 I HA 0.254 4.411 4.170 -0.022 0.000 0.291 278 I C -0.067 176.065 176.117 0.026 0.000 0.992 278 I CA -0.567 60.746 61.300 0.021 0.000 1.154 278 I CB 1.466 39.450 38.000 -0.028 0.000 1.315 278 I HN 0.474 nan 8.210 nan 0.000 0.448 279 K N 5.163 125.593 120.400 0.050 0.000 2.262 279 K HA 0.396 4.703 4.320 -0.022 0.000 0.282 279 K C -0.835 175.798 176.600 0.056 0.000 1.066 279 K CA -0.249 56.081 56.287 0.072 0.000 0.901 279 K CB 0.784 33.346 32.500 0.104 0.000 1.089 279 K HN 0.563 nan 8.250 nan 0.000 0.476 280 S N 3.151 118.870 115.700 0.032 0.000 2.422 280 S HA 0.302 4.759 4.470 -0.022 0.000 0.308 280 S C -0.730 173.915 174.600 0.074 0.000 1.097 280 S CA -0.833 57.368 58.200 0.002 0.000 1.099 280 S CB 1.288 64.430 63.200 -0.097 0.000 0.976 280 S HN 0.384 nan 8.310 nan 0.000 0.471 281 V N 4.447 124.447 119.914 0.143 0.000 2.409 281 V HA 0.427 4.534 4.120 -0.022 0.000 0.291 281 V C -0.399 175.788 176.094 0.154 0.000 1.020 281 V CA -0.865 61.566 62.300 0.217 0.000 0.848 281 V CB 1.376 33.333 31.823 0.224 0.000 0.990 281 V HN 0.710 nan 8.190 nan 0.000 0.430 282 L N 5.575 126.833 121.223 0.059 0.000 2.292 282 L HA 0.680 5.008 4.340 -0.022 0.000 0.284 282 L C -0.955 175.887 176.870 -0.047 0.000 1.065 282 L CA 0.414 55.251 54.840 -0.006 0.000 0.806 282 L CB 0.590 42.497 42.059 -0.253 0.000 1.175 282 L HN 0.463 nan 8.230 nan 0.000 0.431 283 F N 4.734 124.771 119.950 0.144 0.000 2.561 283 F HA 0.542 5.056 4.527 -0.022 0.000 0.321 283 F C -0.150 175.716 175.800 0.109 0.000 1.065 283 F CA -0.850 57.233 58.000 0.138 0.000 0.934 283 F CB 1.635 40.707 39.000 0.119 0.000 1.215 283 F HN 0.131 nan 8.300 nan 0.000 0.471 284 I N 2.559 123.306 120.570 0.294 0.000 2.307 284 I HA 0.441 4.598 4.170 -0.022 0.000 0.289 284 I C -0.181 176.070 176.117 0.224 0.000 1.021 284 I CA -0.721 60.702 61.300 0.206 0.000 1.224 284 I CB 0.480 38.563 38.000 0.139 0.000 1.376 284 I HN 0.581 nan 8.210 nan 0.000 0.470 285 A N 5.311 128.243 122.820 0.187 0.000 2.285 285 A HA 0.552 4.859 4.320 -0.022 0.000 0.310 285 A C -0.054 177.615 177.584 0.140 0.000 1.266 285 A CA -0.458 51.671 52.037 0.154 0.000 0.832 285 A CB 0.292 19.358 19.000 0.110 0.000 1.163 285 A HN 0.766 nan 8.150 nan 0.000 0.499 286 D N 2.477 122.988 120.400 0.185 0.000 2.697 286 D HA -0.173 4.454 4.640 -0.022 0.000 0.238 286 D C 0.228 176.605 176.300 0.128 0.000 1.152 286 D CA 1.778 55.895 54.000 0.195 0.000 0.666 286 D CB -1.193 39.695 40.800 0.146 0.000 1.037 286 D HN 0.930 nan 8.370 nan 0.000 0.423 287 E N -1.923 118.344 120.200 0.111 0.000 2.791 287 E HA -0.276 4.061 4.350 -0.022 0.000 0.271 287 E C -0.059 176.581 176.600 0.067 0.000 1.044 287 E CA 1.041 57.483 56.400 0.069 0.000 0.814 287 E CB -0.850 28.876 29.700 0.043 0.000 1.400 287 E HN 0.583 nan 8.360 nan 0.000 0.423 288 E N -0.171 120.081 120.200 0.086 0.000 2.256 288 E HA 0.280 4.617 4.350 -0.022 0.000 0.268 288 E C -2.761 173.898 176.600 0.100 0.000 0.877 288 E CA -2.489 53.958 56.400 0.079 0.000 0.757 288 E CB 1.730 31.475 29.700 0.075 0.000 1.183 288 E HN -0.195 nan 8.360 nan 0.000 0.418 289 P HA -0.057 nan 4.420 nan 0.000 0.257 289 P C -1.127 176.243 177.300 0.117 0.000 1.189 289 P CA 0.304 63.455 63.100 0.085 0.000 0.780 289 P CB 0.314 32.035 31.700 0.035 0.000 0.772 290 V N 5.804 125.831 119.914 0.188 0.000 2.409 290 V HA 0.401 4.508 4.120 -0.022 0.000 0.291 290 V C 0.120 176.376 176.094 0.269 0.000 1.020 290 V CA -0.551 61.888 62.300 0.232 0.000 0.848 290 V CB 1.706 33.691 31.823 0.271 0.000 0.990 290 V HN 0.527 nan 8.190 nan 0.000 0.430 291 M N 5.819 125.522 119.600 0.172 0.000 2.238 291 M HA 0.683 5.150 4.480 -0.022 0.000 0.350 291 M C -1.482 174.928 176.300 0.185 0.000 1.138 291 M CA -0.342 55.047 55.300 0.149 0.000 1.040 291 M CB 1.507 34.113 32.600 0.010 0.000 1.639 291 M HN 0.464 nan 8.290 nan 0.000 0.451 292 V N 6.283 126.346 119.914 0.250 0.000 2.555 292 V HA 0.493 4.600 4.120 -0.022 0.000 0.302 292 V C -0.454 175.718 176.094 0.130 0.000 1.038 292 V CA -0.792 61.626 62.300 0.196 0.000 0.887 292 V CB 1.811 33.758 31.823 0.208 0.000 0.991 292 V HN 0.808 nan 8.190 nan 0.000 0.434 293 L N 5.592 126.857 121.223 0.070 0.000 2.296 293 L HA 0.817 5.144 4.340 -0.022 0.000 0.286 293 L C -0.263 176.666 176.870 0.098 0.000 1.023 293 L CA -0.719 54.148 54.840 0.045 0.000 0.812 293 L CB 1.677 43.725 42.059 -0.019 0.000 1.223 293 L HN 0.619 nan 8.230 nan 0.000 0.421 294 V N 0.342 120.325 119.914 0.115 0.000 3.074 294 V HA 0.584 4.692 4.120 -0.022 0.000 0.314 294 V C -0.144 176.033 176.094 0.138 0.000 1.117 294 V CA -1.172 61.221 62.300 0.156 0.000 1.014 294 V CB 1.973 33.908 31.823 0.187 0.000 1.057 294 V HN 0.767 nan 8.190 nan 0.000 0.438 295 R N 0.544 121.135 120.500 0.151 0.000 2.643 295 R HA 0.274 4.601 4.340 -0.022 0.000 0.270 295 R C 1.569 177.859 176.300 -0.017 0.000 1.061 295 R CA 0.735 56.852 56.100 0.028 0.000 1.107 295 R CB 1.150 31.397 30.300 -0.089 0.000 0.999 295 R HN 1.158 nan 8.270 nan 0.000 0.460 296 G N 2.242 111.033 108.800 -0.015 0.000 2.485 296 G HA2 -0.284 3.664 3.960 -0.022 0.000 0.221 296 G HA3 -0.284 3.664 3.960 -0.022 0.000 0.221 296 G C 0.770 175.672 174.900 0.003 0.000 1.115 296 G CA 1.044 46.152 45.100 0.014 0.000 0.751 296 G HN 0.827 nan 8.290 nan 0.000 0.567 297 D N -0.857 119.489 120.400 -0.090 0.000 2.340 297 D HA 0.039 4.666 4.640 -0.022 0.000 0.220 297 D C 0.500 176.817 176.300 0.028 0.000 1.039 297 D CA -0.049 53.907 54.000 -0.073 0.000 0.866 297 D CB -0.315 40.399 40.800 -0.143 0.000 0.913 297 D HN 0.488 nan 8.370 nan 0.000 0.523 298 H N -0.433 118.695 119.070 0.097 0.000 2.693 298 H HA 0.451 4.994 4.556 -0.021 0.000 0.348 298 H C -0.530 174.885 175.328 0.145 0.000 1.222 298 H CA -0.995 55.126 56.048 0.121 0.000 1.270 298 H CB 1.478 31.305 29.762 0.109 0.000 1.798 298 H HN -0.119 nan 8.280 nan 0.000 0.592 299 D N 0.853 121.459 120.400 0.344 0.000 2.646 299 D HA 0.155 4.782 4.640 -0.022 0.000 0.245 299 D C -0.504 175.974 176.300 0.297 0.000 1.099 299 D CA -0.555 53.643 54.000 0.330 0.000 0.849 299 D CB 2.949 43.993 40.800 0.406 0.000 1.448 299 D HN 0.121 nan 8.370 nan 0.000 0.489 300 V N 2.670 122.732 119.914 0.246 0.000 2.540 300 V HA -0.062 4.045 4.120 -0.022 0.000 0.297 300 V C 0.861 176.917 176.094 -0.063 0.000 1.024 300 V CA 0.001 62.378 62.300 0.128 0.000 1.105 300 V CB 0.160 32.157 31.823 0.290 0.000 0.938 300 V HN 0.437 nan 8.190 nan 0.000 0.482 301 N N 4.747 123.157 118.700 -0.483 0.000 2.469 301 N HA 0.045 4.772 4.740 -0.022 0.000 0.239 301 N C 1.098 176.318 175.510 -0.484 0.000 1.053 301 N CA -0.390 52.024 53.050 -1.059 0.000 0.937 301 N CB 0.896 38.662 38.487 -1.202 0.000 1.163 301 N HN 0.797 nan 8.380 nan 0.000 0.509 302 D N 2.875 123.128 120.400 -0.245 0.000 2.149 302 D HA -0.161 4.466 4.640 -0.022 0.000 0.198 302 D C 1.311 177.511 176.300 -0.167 0.000 0.990 302 D CA 1.006 54.915 54.000 -0.153 0.000 0.839 302 D CB 0.012 40.859 40.800 0.079 0.000 0.948 302 D HN 0.266 nan 8.370 nan 0.000 0.460 303 V N 1.093 120.918 119.914 -0.148 0.000 2.307 303 V HA -0.224 3.883 4.120 -0.022 0.000 0.245 303 V C 2.695 178.703 176.094 -0.143 0.000 1.045 303 V CA 1.795 64.025 62.300 -0.117 0.000 1.024 303 V CB -0.585 31.193 31.823 -0.075 0.000 0.651 303 V HN 0.134 nan 8.190 nan 0.000 0.449 304 K N -0.277 120.004 120.400 -0.200 0.000 2.063 304 K HA -0.224 4.083 4.320 -0.022 0.000 0.208 304 K C 2.117 178.627 176.600 -0.150 0.000 1.048 304 K CA 1.694 57.877 56.287 -0.173 0.000 0.928 304 K CB -0.442 31.920 32.500 -0.230 0.000 0.713 304 K HN 0.282 nan 8.250 nan 0.000 0.442 305 L N 1.883 122.972 121.223 -0.223 0.000 2.046 305 L HA -0.173 4.154 4.340 -0.022 0.000 0.208 305 L C 2.196 178.976 176.870 -0.150 0.000 1.077 305 L CA 1.832 56.535 54.840 -0.228 0.000 0.747 305 L CB -0.402 41.399 42.059 -0.430 0.000 0.896 305 L HN 0.032 nan 8.230 nan 0.000 0.432 306 K N -0.810 119.493 120.400 -0.162 0.000 2.057 306 K HA -0.197 4.110 4.320 -0.022 0.000 0.207 306 K C 1.858 178.398 176.600 -0.100 0.000 1.049 306 K CA 1.612 57.826 56.287 -0.122 0.000 0.931 306 K CB -0.068 32.369 32.500 -0.106 0.000 0.714 306 K HN 0.400 nan 8.250 nan 0.000 0.440 307 N N 0.432 119.087 118.700 -0.076 0.000 2.106 307 N HA -0.148 4.579 4.740 -0.022 0.000 0.188 307 N C 1.550 177.025 175.510 -0.058 0.000 1.029 307 N CA 1.082 54.098 53.050 -0.057 0.000 0.848 307 N CB -0.529 37.939 38.487 -0.032 0.000 1.007 307 N HN 0.188 nan 8.380 nan 0.000 0.423 308 F N 1.675 121.517 119.950 -0.180 0.000 2.126 308 F HA -0.043 4.472 4.527 -0.020 0.000 0.299 308 F C 1.986 177.644 175.800 -0.236 0.000 1.096 308 F CA 1.149 59.021 58.000 -0.213 0.000 1.255 308 F CB -0.350 38.482 39.000 -0.279 0.000 0.997 308 F HN -0.045 nan 8.300 nan 0.000 0.479 309 L N 0.092 121.150 121.223 -0.275 0.000 2.141 309 L HA 0.001 4.328 4.340 -0.022 0.000 0.209 309 L C 1.975 178.676 176.870 -0.282 0.000 1.094 309 L CA 1.103 55.738 54.840 -0.341 0.000 0.763 309 L CB -1.188 40.780 42.059 -0.151 0.000 0.908 309 L HN 0.501 nan 8.230 nan 0.000 0.437 310 G N -0.144 108.530 108.800 -0.211 0.000 2.143 310 G HA2 -0.277 3.670 3.960 -0.022 0.000 0.248 310 G HA3 -0.277 3.670 3.960 -0.022 0.000 0.248 310 G C 0.341 175.164 174.900 -0.129 0.000 0.991 310 G CA 0.143 45.146 45.100 -0.161 0.000 0.689 310 G HN 0.562 nan 8.290 nan 0.000 0.522 311 A N -0.392 122.358 122.820 -0.118 0.000 2.425 311 A HA 0.585 4.892 4.320 -0.022 0.000 0.249 311 A C 1.155 178.646 177.584 -0.155 0.000 1.084 311 A CA 0.628 52.610 52.037 -0.093 0.000 0.781 311 A CB 0.431 19.401 19.000 -0.049 0.000 1.019 311 A HN 0.171 nan 8.150 nan 0.000 0.490 312 D N 0.241 120.508 120.400 -0.221 0.000 2.240 312 D HA 0.109 4.736 4.640 -0.022 0.000 0.206 312 D C -0.639 175.196 176.300 -0.775 0.000 0.963 312 D CA 1.476 55.154 54.000 -0.537 0.000 0.863 312 D CB 0.096 40.478 40.800 -0.697 0.000 0.973 312 D HN 0.482 nan 8.370 nan 0.000 0.501 313 F N 0.692 120.650 119.950 0.013 0.000 2.539 313 F HA 0.385 4.897 4.527 -0.026 0.000 0.328 313 F C -0.488 175.337 175.800 0.042 0.000 1.148 313 F CA -1.007 57.009 58.000 0.026 0.000 0.940 313 F CB 1.712 40.731 39.000 0.033 0.000 1.194 313 F HN -0.327 nan 8.300 nan 0.000 0.438 314 L N 4.695 126.031 121.223 0.189 0.000 2.372 314 L HA 0.626 4.953 4.340 -0.022 0.000 0.274 314 L C -1.259 175.753 176.870 0.237 0.000 0.988 314 L CA -0.152 54.795 54.840 0.178 0.000 0.833 314 L CB 1.148 43.244 42.059 0.061 0.000 1.236 314 L HN 0.509 nan 8.230 nan 0.000 0.410 315 D N 3.712 124.286 120.400 0.290 0.000 2.671 315 D HA 0.263 4.890 4.640 -0.022 0.000 0.232 315 D C -0.894 175.577 176.300 0.285 0.000 1.114 315 D CA -0.540 53.607 54.000 0.245 0.000 0.858 315 D CB 2.174 43.063 40.800 0.149 0.000 1.544 315 D HN 0.511 nan 8.370 nan 0.000 0.471 316 E N 0.597 120.855 120.200 0.097 0.000 2.415 316 E HA 0.305 4.642 4.350 -0.022 0.000 0.263 316 E C -0.030 176.538 176.600 -0.053 0.000 0.995 316 E CA -0.259 55.987 56.400 -0.258 0.000 0.915 316 E CB 0.920 30.395 29.700 -0.375 0.000 0.951 316 E HN 0.419 nan 8.360 nan 0.000 0.449 317 A N 3.236 126.081 122.820 0.041 0.000 2.507 317 A HA 0.111 4.418 4.320 -0.022 0.000 0.235 317 A C 0.631 178.355 177.584 0.234 0.000 1.070 317 A CA -0.063 52.073 52.037 0.165 0.000 0.768 317 A CB 0.156 19.256 19.000 0.168 0.000 1.011 317 A HN 0.687 nan 8.150 nan 0.000 0.502 318 T N -0.977 113.683 114.554 0.177 0.000 2.810 318 T HA 0.319 4.656 4.350 -0.022 0.000 0.277 318 T C 0.852 175.733 174.700 0.300 0.000 0.973 318 T CA -0.121 62.073 62.100 0.156 0.000 0.949 318 T CB 0.599 69.509 68.868 0.070 0.000 1.075 318 T HN 0.581 nan 8.240 nan 0.000 0.537 319 E N 0.242 120.578 120.200 0.226 0.000 2.085 319 E HA -0.176 4.161 4.350 -0.022 0.000 0.194 319 E C 1.937 178.599 176.600 0.104 0.000 0.994 319 E CA 1.522 58.055 56.400 0.221 0.000 0.801 319 E CB -0.313 29.470 29.700 0.137 0.000 0.743 319 E HN 0.908 nan 8.360 nan 0.000 0.453 320 E N 0.634 120.878 120.200 0.072 0.000 2.038 320 E HA -0.201 4.136 4.350 -0.022 0.000 0.195 320 E C 1.576 178.192 176.600 0.025 0.000 1.000 320 E CA 1.421 57.843 56.400 0.037 0.000 0.803 320 E CB 0.119 29.837 29.700 0.029 0.000 0.750 320 E HN 0.114 nan 8.360 nan 0.000 0.448 321 D N 0.331 120.756 120.400 0.042 0.000 2.116 321 D HA -0.213 4.414 4.640 -0.022 0.000 0.193 321 D C 1.861 178.143 176.300 -0.029 0.000 0.998 321 D CA 1.530 55.543 54.000 0.022 0.000 0.836 321 D CB -0.503 40.328 40.800 0.052 0.000 0.951 321 D HN 0.325 nan 8.370 nan 0.000 0.449 322 A N 1.626 124.408 122.820 -0.063 0.000 1.883 322 A HA -0.226 4.081 4.320 -0.022 0.000 0.217 322 A C 2.183 179.687 177.584 -0.134 0.000 1.186 322 A CA 1.465 53.375 52.037 -0.212 0.000 0.624 322 A CB -0.359 18.382 19.000 -0.431 0.000 0.822 322 A HN 0.076 nan 8.150 nan 0.000 0.444 323 R N -0.580 119.881 120.500 -0.066 0.000 2.097 323 R HA -0.195 4.132 4.340 -0.022 0.000 0.236 323 R C 2.460 178.733 176.300 -0.045 0.000 1.135 323 R CA 1.881 57.955 56.100 -0.044 0.000 0.934 323 R CB -0.827 29.464 30.300 -0.015 0.000 0.846 323 R HN 0.717 nan 8.270 nan 0.000 0.431 324 R N 0.758 121.239 120.500 -0.033 0.000 2.070 324 R HA -0.106 4.221 4.340 -0.022 0.000 0.232 324 R C 2.261 178.539 176.300 -0.038 0.000 1.138 324 R CA 1.887 57.971 56.100 -0.027 0.000 0.936 324 R CB -0.312 29.979 30.300 -0.014 0.000 0.839 324 R HN 0.050 nan 8.270 nan 0.000 0.429 325 V N 0.842 120.728 119.914 -0.047 0.000 2.427 325 V HA -0.179 3.928 4.120 -0.022 0.000 0.248 325 V C 2.073 178.124 176.094 -0.071 0.000 1.051 325 V CA 1.610 63.879 62.300 -0.052 0.000 1.048 325 V CB -0.203 31.590 31.823 -0.050 0.000 0.666 325 V HN 0.366 nan 8.190 nan 0.000 0.456 326 L N -0.874 120.291 121.223 -0.097 0.000 2.672 326 L HA 0.448 4.775 4.340 -0.022 0.000 0.236 326 L C 1.673 178.485 176.870 -0.096 0.000 1.092 326 L CA 0.778 55.551 54.840 -0.111 0.000 0.887 326 L CB 0.315 42.276 42.059 -0.164 0.000 1.168 326 L HN 0.461 nan 8.230 nan 0.000 0.502 327 G N 0.660 109.412 108.800 -0.081 0.000 2.143 327 G HA2 -0.152 3.795 3.960 -0.022 0.000 0.249 327 G HA3 -0.152 3.795 3.960 -0.022 0.000 0.249 327 G C 0.124 174.985 174.900 -0.064 0.000 0.981 327 G CA 0.197 45.259 45.100 -0.064 0.000 0.665 327 G HN 0.589 nan 8.290 nan 0.000 0.528 328 A N -1.205 121.563 122.820 -0.086 0.000 2.594 328 A HA 0.946 5.253 4.320 -0.022 0.000 0.295 328 A C 0.507 178.034 177.584 -0.095 0.000 1.071 328 A CA 0.530 52.521 52.037 -0.076 0.000 0.685 328 A CB 0.847 19.795 19.000 -0.087 0.000 1.285 328 A HN 1.814 nan 8.150 nan 0.000 0.405 329 G N -0.642 108.132 108.800 -0.043 0.000 2.634 329 G HA2 0.413 4.360 3.960 -0.022 0.000 0.255 329 G HA3 0.413 4.360 3.960 -0.022 0.000 0.255 329 G C 0.301 175.193 174.900 -0.014 0.000 1.205 329 G CA -0.290 44.809 45.100 -0.002 0.000 0.884 329 G HN 0.587 nan 8.290 nan 0.000 0.549 330 F N 0.590 120.522 119.950 -0.030 0.000 2.307 330 F HA -0.050 4.464 4.527 -0.022 0.000 0.301 330 F C 2.634 178.422 175.800 -0.020 0.000 1.076 330 F CA 1.688 59.666 58.000 -0.035 0.000 1.383 330 F CB 0.223 39.199 39.000 -0.040 0.000 1.055 330 F HN 0.489 nan 8.300 nan 0.000 0.526 331 G N -2.317 106.572 108.800 0.148 0.000 2.777 331 G HA2 -0.028 3.919 3.960 -0.022 0.000 0.211 331 G HA3 -0.028 3.919 3.960 -0.022 0.000 0.211 331 G C 1.098 176.052 174.900 0.090 0.000 1.149 331 G CA 0.629 45.812 45.100 0.138 0.000 0.785 331 G HN 0.296 nan 8.290 nan 0.000 0.536 332 S N -0.110 115.565 115.700 -0.042 0.000 2.937 332 S HA 0.280 4.737 4.470 -0.022 0.000 0.252 332 S C 0.350 174.803 174.600 -0.244 0.000 1.022 332 S CA -0.586 57.488 58.200 -0.209 0.000 1.079 332 S CB 0.133 63.283 63.200 -0.084 0.000 1.035 332 S HN 0.501 nan 8.310 nan 0.000 0.594 333 I N -0.701 119.745 120.570 -0.206 0.000 2.499 333 I HA 0.919 5.076 4.170 -0.022 0.000 0.296 333 I C 0.278 176.268 176.117 -0.211 0.000 0.992 333 I CA -0.513 60.655 61.300 -0.221 0.000 1.297 333 I CB 1.158 38.986 38.000 -0.288 0.000 1.410 333 I HN 0.111 nan 8.210 nan 0.000 0.507 334 G N 3.760 112.439 108.800 -0.201 0.000 2.721 334 G HA2 0.574 4.521 3.960 -0.022 0.000 0.296 334 G HA3 0.574 4.521 3.960 -0.022 0.000 0.296 334 G C -2.739 172.033 174.900 -0.213 0.000 1.383 334 G CA -0.832 44.143 45.100 -0.209 0.000 0.788 334 G HN 0.432 nan 8.290 nan 0.000 0.500 335 P HA 0.140 nan 4.420 nan 0.000 0.245 335 P C 0.413 177.642 177.300 -0.118 0.000 1.206 335 P CA 0.101 63.035 63.100 -0.276 0.000 0.781 335 P CB 0.479 31.808 31.700 -0.618 0.000 0.994 336 V N 2.211 122.073 119.914 -0.086 0.000 2.530 336 V HA 0.106 4.213 4.120 -0.022 0.000 0.282 336 V C 1.190 177.277 176.094 -0.012 0.000 1.048 336 V CA -0.643 61.665 62.300 0.014 0.000 0.997 336 V CB -0.334 31.505 31.823 0.026 0.000 0.987 336 V HN 0.351 nan 8.190 nan 0.000 0.477 337 N N 3.271 121.976 118.700 0.008 0.000 2.652 337 N HA -0.170 4.557 4.740 -0.022 0.000 0.281 337 N C -0.755 174.735 175.510 -0.033 0.000 1.084 337 N CA 0.168 53.211 53.050 -0.012 0.000 0.775 337 N CB -0.064 38.413 38.487 -0.016 0.000 0.923 337 N HN 0.447 nan 8.380 nan 0.000 0.558 338 V N 1.822 121.715 119.914 -0.035 0.000 2.630 338 V HA 0.258 4.365 4.120 -0.022 0.000 0.305 338 V C 0.647 176.717 176.094 -0.040 0.000 1.046 338 V CA -0.742 61.528 62.300 -0.050 0.000 0.934 338 V CB 1.895 33.680 31.823 -0.063 0.000 1.003 338 V HN 0.493 nan 8.190 nan 0.000 0.451 339 S N 2.821 118.496 115.700 -0.041 0.000 2.593 339 S HA -0.087 4.370 4.470 -0.022 0.000 0.303 339 S C 1.264 175.846 174.600 -0.030 0.000 1.267 339 S CA 0.145 58.326 58.200 -0.032 0.000 1.047 339 S CB 0.122 63.304 63.200 -0.031 0.000 0.777 339 S HN 0.843 nan 8.310 nan 0.000 0.498 340 E N 1.685 121.870 120.200 -0.024 0.000 2.338 340 E HA -0.189 4.148 4.350 -0.022 0.000 0.197 340 E C 1.041 177.628 176.600 -0.022 0.000 1.007 340 E CA 1.304 57.689 56.400 -0.024 0.000 0.849 340 E CB -0.283 29.406 29.700 -0.018 0.000 0.774 340 E HN 0.896 nan 8.360 nan 0.000 0.506 341 D N 0.216 120.606 120.400 -0.017 0.000 2.340 341 D HA -0.032 4.595 4.640 -0.022 0.000 0.220 341 D C 0.224 176.521 176.300 -0.006 0.000 1.039 341 D CA 0.038 54.033 54.000 -0.008 0.000 0.866 341 D CB 0.255 41.053 40.800 -0.003 0.000 0.913 341 D HN -0.136 nan 8.370 nan 0.000 0.523 342 V N 1.342 121.245 119.914 -0.019 0.000 2.353 342 V HA 0.116 4.223 4.120 -0.022 0.000 0.264 342 V C 0.318 176.388 176.094 -0.041 0.000 1.049 342 V CA -0.843 61.445 62.300 -0.019 0.000 0.896 342 V CB 0.706 32.508 31.823 -0.034 0.000 1.025 342 V HN 0.092 nan 8.190 nan 0.000 0.475 343 K N 5.843 126.231 120.400 -0.020 0.000 2.349 343 K HA 0.459 4.766 4.320 -0.022 0.000 0.288 343 K C -0.584 175.910 176.600 -0.177 0.000 1.058 343 K CA 0.065 56.294 56.287 -0.096 0.000 0.953 343 K CB 0.798 33.323 32.500 0.042 0.000 0.997 343 K HN 0.567 nan 8.250 nan 0.000 0.477 344 I N 4.526 124.876 120.570 -0.367 0.000 2.355 344 I HA 0.241 4.398 4.170 -0.022 0.000 0.288 344 I C -0.769 175.022 176.117 -0.543 0.000 0.999 344 I CA -0.862 60.259 61.300 -0.298 0.000 1.163 344 I CB 0.607 38.506 38.000 -0.169 0.000 1.316 344 I HN 0.467 nan 8.210 nan 0.000 0.454 345 Y N 4.382 124.656 120.300 -0.043 0.000 2.468 345 Y HA 0.761 5.298 4.550 -0.022 0.000 0.342 345 Y C 0.271 176.085 175.900 -0.143 0.000 1.021 345 Y CA -0.845 57.180 58.100 -0.125 0.000 1.079 345 Y CB 2.045 40.422 38.460 -0.138 0.000 1.226 345 Y HN 0.555 nan 8.280 nan 0.000 0.460 346 A N 1.425 124.205 122.820 -0.067 0.000 2.374 346 A HA 0.479 4.786 4.320 -0.022 0.000 0.317 346 A C -1.313 176.310 177.584 0.065 0.000 1.094 346 A CA -0.815 51.223 52.037 0.002 0.000 0.765 346 A CB 1.057 20.058 19.000 0.002 0.000 1.268 346 A HN 0.801 nan 8.150 nan 0.000 0.438 347 D N 1.052 121.510 120.400 0.098 0.000 2.399 347 D HA 0.216 4.843 4.640 -0.022 0.000 0.241 347 D C 1.353 177.721 176.300 0.112 0.000 1.133 347 D CA -0.114 53.913 54.000 0.045 0.000 0.890 347 D CB 0.386 41.210 40.800 0.040 0.000 1.201 347 D HN 0.420 nan 8.370 nan 0.000 0.432 348 L N 2.999 124.164 121.223 -0.096 0.000 2.058 348 L HA -0.349 3.978 4.340 -0.022 0.000 0.226 348 L C 2.366 179.101 176.870 -0.225 0.000 1.089 348 L CA 1.914 56.539 54.840 -0.358 0.000 0.799 348 L CB -0.790 40.664 42.059 -1.009 0.000 0.900 348 L HN 0.633 nan 8.230 nan 0.000 0.442 349 A N -0.811 121.972 122.820 -0.061 0.000 2.139 349 A HA -0.129 4.178 4.320 -0.022 0.000 0.221 349 A C 2.222 179.898 177.584 0.153 0.000 1.159 349 A CA 1.741 53.876 52.037 0.163 0.000 0.662 349 A CB -0.696 18.475 19.000 0.285 0.000 0.796 349 A HN 0.297 nan 8.150 nan 0.000 0.463 350 V N -0.766 119.249 119.914 0.169 0.000 2.667 350 V HA -0.239 3.868 4.120 -0.022 0.000 0.252 350 V C 2.489 178.678 176.094 0.160 0.000 1.065 350 V CA 1.896 64.341 62.300 0.242 0.000 1.083 350 V CB -0.670 31.392 31.823 0.397 0.000 0.692 350 V HN 0.698 nan 8.190 nan 0.000 0.468 351 Q N 0.111 119.818 119.800 -0.156 0.000 2.096 351 Q HA -0.225 4.102 4.340 -0.022 0.000 0.204 351 Q C 1.260 177.158 176.000 -0.169 0.000 0.982 351 Q CA 1.813 57.297 55.803 -0.533 0.000 0.850 351 Q CB 0.002 28.302 28.738 -0.730 0.000 0.901 351 Q HN 0.594 nan 8.270 nan 0.000 0.422 352 D N -0.212 120.163 120.400 -0.041 0.000 2.325 352 D HA 0.094 4.721 4.640 -0.022 0.000 0.234 352 D C -0.346 175.967 176.300 0.023 0.000 1.122 352 D CA 0.269 54.271 54.000 0.003 0.000 0.850 352 D CB 0.109 40.938 40.800 0.047 0.000 0.921 352 D HN 0.250 nan 8.370 nan 0.000 0.513 353 L N 0.893 122.138 121.223 0.037 0.000 2.312 353 L HA 0.516 4.843 4.340 -0.022 0.000 0.281 353 L C 0.286 177.175 176.870 0.032 0.000 1.070 353 L CA -0.650 54.222 54.840 0.053 0.000 0.805 353 L CB 1.414 43.536 42.059 0.106 0.000 1.174 353 L HN -0.110 nan 8.230 nan 0.000 0.434 354 A N 2.763 125.592 122.820 0.016 0.000 2.342 354 A HA 0.475 4.782 4.320 -0.022 0.000 0.323 354 A C -0.037 177.550 177.584 0.006 0.000 1.125 354 A CA -0.643 51.394 52.037 -0.000 0.000 0.785 354 A CB 0.741 19.724 19.000 -0.029 0.000 1.221 354 A HN 0.843 nan 8.150 nan 0.000 0.463 355 N N -0.431 118.275 118.700 0.010 0.000 2.686 355 N HA -0.191 4.536 4.740 -0.022 0.000 0.261 355 N C 0.265 175.776 175.510 0.000 0.000 1.001 355 N CA 1.082 54.135 53.050 0.004 0.000 0.764 355 N CB -1.177 37.303 38.487 -0.011 0.000 0.898 355 N HN 1.131 nan 8.380 nan 0.000 0.544 356 A N 0.129 122.968 122.820 0.033 0.000 2.240 356 A HA 0.783 5.090 4.320 -0.022 0.000 0.292 356 A C 0.567 178.139 177.584 -0.021 0.000 1.121 356 A CA -0.335 51.718 52.037 0.027 0.000 0.851 356 A CB 0.781 19.835 19.000 0.090 0.000 1.167 356 A HN 0.328 nan 8.150 nan 0.000 0.503 357 I N -0.032 120.511 120.570 -0.044 0.000 2.465 357 I HA 0.499 4.657 4.170 -0.022 0.000 0.291 357 I C -0.347 175.765 176.117 -0.008 0.000 1.014 357 I CA -0.640 60.599 61.300 -0.101 0.000 1.093 357 I CB 2.016 39.874 38.000 -0.238 0.000 1.267 357 I HN 0.608 nan 8.210 nan 0.000 0.431 358 V N 2.416 122.333 119.914 0.004 0.000 3.141 358 V HA 0.894 5.001 4.120 -0.022 0.000 0.312 358 V C 0.190 176.236 176.094 -0.080 0.000 1.157 358 V CA -0.684 61.599 62.300 -0.028 0.000 1.041 358 V CB 1.469 33.211 31.823 -0.136 0.000 1.071 358 V HN 0.725 nan 8.190 nan 0.000 0.441 359 G N -0.385 108.253 108.800 -0.271 0.000 2.569 359 G HA2 0.533 4.480 3.960 -0.022 0.000 0.249 359 G HA3 0.533 4.480 3.960 -0.022 0.000 0.249 359 G C 0.678 175.398 174.900 -0.300 0.000 1.216 359 G CA -0.147 44.602 45.100 -0.585 0.000 0.845 359 G HN 1.739 nan 8.290 nan 0.000 0.568 360 A N 1.229 123.903 122.820 -0.244 0.000 2.275 360 A HA 0.210 4.517 4.320 -0.022 0.000 0.212 360 A C 1.345 178.859 177.584 -0.116 0.000 1.201 360 A CA 0.415 52.383 52.037 -0.115 0.000 0.843 360 A CB -0.308 18.673 19.000 -0.031 0.000 0.873 360 A HN 0.756 nan 8.150 nan 0.000 0.492 361 N N -0.308 118.307 118.700 -0.142 0.000 2.741 361 N HA -0.168 4.559 4.740 -0.022 0.000 0.251 361 N C -0.173 175.281 175.510 -0.094 0.000 1.112 361 N CA 1.571 54.546 53.050 -0.125 0.000 0.750 361 N CB -1.140 37.276 38.487 -0.117 0.000 1.119 361 N HN 0.891 nan 8.380 nan 0.000 0.561 362 E N 0.581 120.740 120.200 -0.069 0.000 2.246 362 E HA 0.218 4.555 4.350 -0.022 0.000 0.266 362 E C -1.223 175.431 176.600 0.089 0.000 0.880 362 E CA -0.638 55.750 56.400 -0.019 0.000 0.762 362 E CB 1.060 30.691 29.700 -0.116 0.000 1.180 362 E HN -0.049 nan 8.360 nan 0.000 0.416 363 D N 2.319 122.771 120.400 0.087 0.000 2.525 363 D HA 0.115 4.742 4.640 -0.022 0.000 0.235 363 D C 1.062 177.462 176.300 0.167 0.000 1.137 363 D CA 1.872 55.929 54.000 0.096 0.000 0.868 363 D CB 0.774 41.613 40.800 0.064 0.000 1.180 363 D HN 0.813 nan 8.370 nan 0.000 0.465 364 G N 1.291 110.119 108.800 0.048 0.000 2.168 364 G HA2 -0.286 3.662 3.960 -0.022 0.000 0.257 364 G HA3 -0.286 3.662 3.960 -0.022 0.000 0.257 364 G C -0.333 174.394 174.900 -0.289 0.000 0.997 364 G CA 0.418 45.446 45.100 -0.119 0.000 0.708 364 G HN 0.455 nan 8.290 nan 0.000 0.520 365 Y N -0.741 119.567 120.300 0.014 0.000 2.492 365 Y HA 0.714 5.251 4.550 -0.022 0.000 0.346 365 Y C 0.262 176.153 175.900 -0.014 0.000 0.997 365 Y CA -1.055 57.061 58.100 0.026 0.000 1.025 365 Y CB 1.752 40.207 38.460 -0.008 0.000 1.263 365 Y HN 0.228 nan 8.280 nan 0.000 0.454 366 H N 2.738 121.897 119.070 0.149 0.000 2.851 366 H HA 0.513 5.056 4.556 -0.022 0.000 0.372 366 H C -1.220 174.143 175.328 0.058 0.000 1.158 366 H CA -0.859 55.237 56.048 0.079 0.000 1.159 366 H CB 2.364 32.183 29.762 0.096 0.000 1.757 366 H HN 0.484 nan 8.280 nan 0.000 0.546 367 L N 2.132 123.393 121.223 0.063 0.000 2.334 367 L HA 0.378 4.705 4.340 -0.022 0.000 0.277 367 L C 0.431 177.274 176.870 -0.046 0.000 1.075 367 L CA -0.308 54.547 54.840 0.024 0.000 0.804 367 L CB 1.389 43.452 42.059 0.006 0.000 1.174 367 L HN 0.500 nan 8.230 nan 0.000 0.438 368 T N 0.665 115.186 114.554 -0.056 0.000 2.930 368 T HA 0.264 4.601 4.350 -0.022 0.000 0.290 368 T C 0.177 174.849 174.700 -0.046 0.000 1.052 368 T CA -0.622 61.395 62.100 -0.138 0.000 1.017 368 T CB 1.173 69.953 68.868 -0.147 0.000 1.137 368 T HN 0.669 nan 8.240 nan 0.000 0.511 369 N N 0.384 119.055 118.700 -0.048 0.000 2.708 369 N HA -0.138 4.589 4.740 -0.022 0.000 0.251 369 N C -0.377 175.146 175.510 0.022 0.000 1.017 369 N CA 0.258 53.303 53.050 -0.008 0.000 0.742 369 N CB -1.360 37.128 38.487 0.001 0.000 0.943 369 N HN 0.355 nan 8.380 nan 0.000 0.539 370 V N 0.955 120.895 119.914 0.043 0.000 2.508 370 V HA 0.135 4.242 4.120 -0.022 0.000 0.281 370 V C 0.816 176.992 176.094 0.137 0.000 1.041 370 V CA -0.244 62.128 62.300 0.119 0.000 1.016 370 V CB 1.151 33.076 31.823 0.170 0.000 0.984 370 V HN 0.224 nan 8.190 nan 0.000 0.478 371 N N 5.670 124.420 118.700 0.083 0.000 2.372 371 N HA 0.409 5.136 4.740 -0.022 0.000 0.285 371 N C -2.814 172.563 175.510 -0.221 0.000 1.008 371 N CA -1.363 51.680 53.050 -0.011 0.000 0.880 371 N CB 2.785 41.252 38.487 -0.033 0.000 1.239 371 N HN 0.322 nan 8.380 nan 0.000 0.484 372 P HA -0.004 nan 4.420 nan 0.000 0.269 372 P C 0.440 177.473 177.300 -0.445 0.000 1.217 372 P CA 0.509 63.075 63.100 -0.890 0.000 0.783 372 P CB 0.666 32.145 31.700 -0.369 0.000 0.898 373 D N -0.293 119.864 120.400 -0.405 0.000 4.018 373 D HA -0.286 4.341 4.640 -0.022 0.000 0.207 373 D C 1.537 177.742 176.300 -0.159 0.000 1.219 373 D CA 2.058 55.949 54.000 -0.182 0.000 2.366 373 D CB -1.553 39.190 40.800 -0.094 0.000 1.202 373 D HN 0.432 nan 8.370 nan 0.000 0.414 374 R N 0.210 120.619 120.500 -0.152 0.000 2.061 374 R HA -0.098 4.229 4.340 -0.022 0.000 0.230 374 R C 1.204 177.462 176.300 -0.071 0.000 1.140 374 R CA 2.202 58.248 56.100 -0.089 0.000 0.940 374 R CB -0.193 30.068 30.300 -0.065 0.000 0.839 374 R HN 0.382 nan 8.270 nan 0.000 0.429 375 D N -0.855 119.491 120.400 -0.089 0.000 2.338 375 D HA 0.074 4.701 4.640 -0.022 0.000 0.208 375 D C -0.045 176.352 176.300 0.162 0.000 0.997 375 D CA 0.577 54.605 54.000 0.046 0.000 0.880 375 D CB 0.457 41.334 40.800 0.128 0.000 0.980 375 D HN 0.212 nan 8.370 nan 0.000 0.509 376 F N -0.586 119.363 119.950 -0.002 0.000 2.641 376 F HA 0.596 5.110 4.527 -0.022 0.000 0.308 376 F C -1.507 174.284 175.800 -0.015 0.000 1.105 376 F CA -1.319 56.670 58.000 -0.019 0.000 0.964 376 F CB 1.089 40.072 39.000 -0.028 0.000 1.294 376 F HN -0.454 nan 8.300 nan 0.000 0.442 377 Q N 3.716 123.549 119.800 0.056 0.000 2.363 377 Q HA 0.447 4.774 4.340 -0.022 0.000 0.265 377 Q C -2.667 173.322 176.000 -0.018 0.000 1.032 377 Q CA -1.947 53.838 55.803 -0.029 0.000 0.746 377 Q CB 1.744 30.458 28.738 -0.041 0.000 1.237 377 Q HN 0.410 nan 8.270 nan 0.000 0.475 378 P HA 0.057 nan 4.420 nan 0.000 0.271 378 P C 0.496 177.641 177.300 -0.260 0.000 1.216 378 P CA -0.053 62.904 63.100 -0.239 0.000 0.776 378 P CB 1.002 32.432 31.700 -0.450 0.000 0.881 379 I N 0.057 120.435 120.570 -0.320 0.000 2.381 379 I HA -0.248 3.909 4.170 -0.022 0.000 0.255 379 I C 1.007 177.110 176.117 -0.023 0.000 1.140 379 I CA 1.626 62.804 61.300 -0.202 0.000 1.404 379 I CB -0.610 37.172 38.000 -0.364 0.000 1.075 379 I HN 0.554 nan 8.210 nan 0.000 0.433 380 S N -2.157 113.513 115.700 -0.049 0.000 2.683 380 S HA 0.357 4.814 4.470 -0.022 0.000 0.278 380 S C -1.168 173.356 174.600 -0.127 0.000 1.059 380 S CA -1.057 57.165 58.200 0.036 0.000 0.847 380 S CB 0.550 63.889 63.200 0.232 0.000 1.078 380 S HN 0.059 nan 8.310 nan 0.000 0.456 381 Y N 1.064 121.386 120.300 0.038 0.000 2.334 381 Y HA 0.751 5.288 4.550 -0.021 0.000 0.328 381 Y C 0.809 176.624 175.900 -0.142 0.000 1.130 381 Y CA -0.181 57.896 58.100 -0.039 0.000 1.163 381 Y CB 1.127 39.564 38.460 -0.038 0.000 1.207 381 Y HN 0.643 nan 8.280 nan 0.000 0.471 382 E N 0.681 120.813 120.200 -0.113 0.000 2.408 382 E HA 0.105 4.442 4.350 -0.022 0.000 0.275 382 E C -1.687 174.757 176.600 -0.260 0.000 0.935 382 E CA -1.043 55.177 56.400 -0.299 0.000 0.775 382 E CB 1.939 31.190 29.700 -0.749 0.000 1.277 382 E HN 0.536 nan 8.360 nan 0.000 0.455 383 D N 1.644 121.894 120.400 -0.249 0.000 2.357 383 D HA 0.084 4.711 4.640 -0.022 0.000 0.265 383 D C 0.097 176.249 176.300 -0.246 0.000 1.334 383 D CA 0.437 54.304 54.000 -0.222 0.000 0.984 383 D CB -0.123 40.581 40.800 -0.160 0.000 1.077 383 D HN 0.288 nan 8.370 nan 0.000 0.514 384 L N 3.498 124.582 121.223 -0.232 0.000 3.184 384 L HA 0.237 4.565 4.340 -0.022 0.000 0.283 384 L C 0.770 177.509 176.870 -0.219 0.000 1.218 384 L CA -0.439 54.254 54.840 -0.245 0.000 1.028 384 L CB 0.088 42.005 42.059 -0.237 0.000 1.400 384 L HN 0.288 nan 8.230 nan 0.000 0.591 385 R N -1.078 119.302 120.500 -0.200 0.000 2.828 385 R HA 0.544 4.871 4.340 -0.022 0.000 0.264 385 R C -0.946 175.212 176.300 -0.237 0.000 1.022 385 R CA -0.644 55.358 56.100 -0.163 0.000 1.021 385 R CB 0.864 31.100 30.300 -0.106 0.000 1.163 385 R HN -0.265 nan 8.270 nan 0.000 0.494 386 F N 1.297 121.230 119.950 -0.028 0.000 2.429 386 F HA 0.153 4.667 4.527 -0.022 0.000 0.348 386 F C 1.000 176.789 175.800 -0.018 0.000 1.109 386 F CA -0.514 57.477 58.000 -0.014 0.000 1.232 386 F CB 1.293 40.304 39.000 0.018 0.000 1.157 386 F HN 0.361 nan 8.300 nan 0.000 0.564 387 V N 1.398 121.452 119.914 0.234 0.000 2.963 387 V HA 0.262 4.370 4.120 -0.022 0.000 0.306 387 V C -0.385 175.917 176.094 0.346 0.000 1.077 387 V CA -0.711 61.711 62.300 0.203 0.000 1.124 387 V CB 0.897 32.852 31.823 0.219 0.000 0.987 387 V HN 0.818 nan 8.190 nan 0.000 0.487 388 Q N 1.156 121.095 119.800 0.231 0.000 2.351 388 Q HA 0.461 4.789 4.340 -0.022 0.000 0.273 388 Q C -0.621 175.317 176.000 -0.104 0.000 1.077 388 Q CA -0.765 55.151 55.803 0.189 0.000 0.843 388 Q CB 2.133 30.948 28.738 0.129 0.000 1.367 388 Q HN 0.842 nan 8.270 nan 0.000 0.449 389 E N -0.049 119.823 120.200 -0.546 0.000 2.465 389 E HA 0.094 4.431 4.350 -0.022 0.000 0.260 389 E C 0.449 176.880 176.600 -0.283 0.000 0.980 389 E CA 1.172 57.169 56.400 -0.671 0.000 0.927 389 E CB 0.208 29.441 29.700 -0.779 0.000 0.934 389 E HN 0.867 nan 8.360 nan 0.000 0.459 390 G N 3.441 112.105 108.800 -0.226 0.000 2.213 390 G HA2 -0.204 3.743 3.960 -0.022 0.000 0.226 390 G HA3 -0.204 3.743 3.960 -0.022 0.000 0.226 390 G C -0.118 174.738 174.900 -0.074 0.000 0.992 390 G CA -0.155 44.869 45.100 -0.127 0.000 0.632 390 G HN 0.563 nan 8.290 nan 0.000 0.511 391 D N 2.641 123.003 120.400 -0.063 0.000 2.372 391 D HA 0.430 5.057 4.640 -0.022 0.000 0.243 391 D C -1.746 174.535 176.300 -0.031 0.000 1.121 391 D CA -1.016 52.973 54.000 -0.018 0.000 0.898 391 D CB 1.081 41.888 40.800 0.012 0.000 1.202 391 D HN 0.191 nan 8.370 nan 0.000 0.428 392 P HA -0.029 nan 4.420 nan 0.000 0.267 392 P C -0.147 177.111 177.300 -0.072 0.000 1.205 392 P CA -0.193 62.881 63.100 -0.043 0.000 0.765 392 P CB 0.590 32.269 31.700 -0.035 0.000 0.828 393 S N 4.815 120.459 115.700 -0.094 0.000 2.563 393 S HA 0.035 4.492 4.470 -0.022 0.000 0.294 393 S C -0.960 173.491 174.600 -0.249 0.000 1.279 393 S CA -0.962 57.125 58.200 -0.188 0.000 1.069 393 S CB -0.258 62.866 63.200 -0.126 0.000 0.828 393 S HN 0.362 nan 8.310 nan 0.000 0.497 394 P HA -0.033 nan 4.420 nan 0.000 0.230 394 P C 0.209 177.374 177.300 -0.225 0.000 1.158 394 P CA 0.676 63.604 63.100 -0.286 0.000 0.769 394 P CB -0.205 31.294 31.700 -0.335 0.000 0.807 395 D N -0.748 119.495 120.400 -0.262 0.000 2.538 395 D HA 0.138 4.765 4.640 -0.022 0.000 0.234 395 D C 1.463 177.716 176.300 -0.078 0.000 1.191 395 D CA -0.283 53.643 54.000 -0.123 0.000 0.828 395 D CB -1.326 39.431 40.800 -0.071 0.000 0.981 395 D HN 0.141 nan 8.370 nan 0.000 0.490 396 G N 0.889 109.638 108.800 -0.084 0.000 2.249 396 G HA2 -0.369 3.578 3.960 -0.022 0.000 0.273 396 G HA3 -0.369 3.578 3.960 -0.022 0.000 0.273 396 G C 0.191 175.064 174.900 -0.044 0.000 0.995 396 G CA 0.349 45.415 45.100 -0.057 0.000 0.671 396 G HN 0.480 nan 8.290 nan 0.000 0.539 397 N N 1.729 120.402 118.700 -0.044 0.000 2.645 397 N HA 0.505 5.232 4.740 -0.022 0.000 0.233 397 N C 0.935 176.436 175.510 -0.015 0.000 1.058 397 N CA 1.115 54.154 53.050 -0.018 0.000 0.942 397 N CB 0.592 39.082 38.487 0.005 0.000 1.210 397 N HN 1.253 nan 8.380 nan 0.000 0.512 398 G N 0.003 108.792 108.800 -0.019 0.000 2.615 398 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.218 398 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.218 398 G C -1.162 173.716 174.900 -0.036 0.000 1.339 398 G CA -0.622 44.467 45.100 -0.018 0.000 0.884 398 G HN 0.393 nan 8.290 nan 0.000 0.559 399 V N 0.408 120.295 119.914 -0.045 0.000 2.864 399 V HA 0.667 4.774 4.120 -0.022 0.000 0.314 399 V C 0.462 176.497 176.094 -0.098 0.000 1.073 399 V CA -0.854 61.404 62.300 -0.069 0.000 0.956 399 V CB 1.780 33.558 31.823 -0.074 0.000 1.023 399 V HN 0.745 nan 8.190 nan 0.000 0.435 400 L N 4.225 125.384 121.223 -0.106 0.000 2.281 400 L HA 0.661 4.988 4.340 -0.022 0.000 0.285 400 L C 0.370 177.054 176.870 -0.310 0.000 1.074 400 L CA -0.026 54.745 54.840 -0.115 0.000 0.817 400 L CB 1.190 43.274 42.059 0.043 0.000 1.168 400 L HN 0.767 nan 8.230 nan 0.000 0.434 401 A N 3.954 126.479 122.820 -0.492 0.000 2.299 401 A HA 0.876 5.183 4.320 -0.022 0.000 0.332 401 A C -1.091 176.301 177.584 -0.319 0.000 1.131 401 A CA -0.416 51.253 52.037 -0.615 0.000 0.844 401 A CB 1.076 19.619 19.000 -0.760 0.000 1.251 401 A HN 0.448 nan 8.150 nan 0.000 0.486 402 F N 0.470 120.337 119.950 -0.139 0.000 2.507 402 F HA 0.615 5.129 4.527 -0.021 0.000 0.325 402 F C 0.717 176.629 175.800 0.188 0.000 1.116 402 F CA -0.849 57.180 58.000 0.048 0.000 0.930 402 F CB 1.944 40.951 39.000 0.012 0.000 1.146 402 F HN 0.660 nan 8.300 nan 0.000 0.447 403 T N 0.019 114.837 114.554 0.439 0.000 2.924 403 T HA 0.619 4.956 4.350 -0.022 0.000 0.291 403 T C -0.578 174.191 174.700 0.116 0.000 1.045 403 T CA -1.168 61.075 62.100 0.239 0.000 1.015 403 T CB 2.356 71.311 68.868 0.144 0.000 1.103 403 T HN 0.291 nan 8.240 nan 0.000 0.496 404 K N 0.631 121.066 120.400 0.058 0.000 2.118 404 K HA 0.674 4.981 4.320 -0.022 0.000 0.267 404 K C 0.141 176.735 176.600 -0.009 0.000 0.991 404 K CA -0.676 55.617 56.287 0.009 0.000 0.916 404 K CB 1.731 34.231 32.500 0.001 0.000 1.041 404 K HN 0.952 nan 8.250 nan 0.000 0.455 405 G N 1.339 110.122 108.800 -0.029 0.000 2.659 405 G HA2 0.584 4.531 3.960 -0.022 0.000 0.296 405 G HA3 0.584 4.531 3.960 -0.022 0.000 0.296 405 G C -0.956 173.916 174.900 -0.047 0.000 1.369 405 G CA -0.795 44.283 45.100 -0.037 0.000 0.937 405 G HN 0.431 nan 8.290 nan 0.000 0.485 406 I N 0.715 121.255 120.570 -0.051 0.000 2.336 406 I HA 0.227 4.384 4.170 -0.022 0.000 0.292 406 I C 0.430 176.505 176.117 -0.070 0.000 0.991 406 I CA -0.448 60.816 61.300 -0.060 0.000 1.227 406 I CB 1.991 39.954 38.000 -0.062 0.000 1.366 406 I HN 0.472 nan 8.210 nan 0.000 0.466 407 E N 6.878 127.041 120.200 -0.062 0.000 1.985 407 E HA 0.066 4.403 4.350 -0.022 0.000 0.268 407 E C 1.036 177.609 176.600 -0.045 0.000 1.219 407 E CA -0.132 56.240 56.400 -0.046 0.000 0.942 407 E CB 0.478 30.158 29.700 -0.034 0.000 1.045 407 E HN 0.660 nan 8.360 nan 0.000 0.413 408 I N 0.836 121.341 120.570 -0.109 0.000 3.226 408 I HA 0.329 4.486 4.170 -0.022 0.000 0.277 408 I C 0.847 176.941 176.117 -0.038 0.000 1.243 408 I CA -0.042 61.143 61.300 -0.192 0.000 1.459 408 I CB 0.416 38.093 38.000 -0.539 0.000 1.093 408 I HN 0.318 nan 8.210 nan 0.000 0.453 409 G N -0.124 108.758 108.800 0.136 0.000 2.608 409 G HA2 0.524 4.471 3.960 -0.022 0.000 0.291 409 G HA3 0.524 4.471 3.960 -0.022 0.000 0.291 409 G C -1.998 173.256 174.900 0.589 0.000 1.425 409 G CA -0.545 44.798 45.100 0.405 0.000 0.787 409 G HN 0.400 nan 8.290 nan 0.000 0.484 410 H N -0.590 118.777 119.070 0.495 0.000 3.154 410 H HA 0.445 4.989 4.556 -0.020 0.000 0.330 410 H C -0.921 174.545 175.328 0.230 0.000 1.033 410 H CA -0.865 55.396 56.048 0.355 0.000 1.393 410 H CB 1.423 31.291 29.762 0.176 0.000 1.951 410 H HN 0.695 nan 8.280 nan 0.000 0.466 411 I N 2.210 123.034 120.570 0.423 0.000 2.493 411 I HA 0.652 4.809 4.170 -0.022 0.000 0.298 411 I C -1.819 174.430 176.117 0.221 0.000 0.998 411 I CA -0.805 60.515 61.300 0.035 0.000 1.137 411 I CB 1.950 39.806 38.000 -0.239 0.000 1.310 411 I HN 0.367 nan 8.210 nan 0.000 0.445 412 F N 4.462 124.301 119.950 -0.186 0.000 2.604 412 F HA 0.472 4.985 4.527 -0.023 0.000 0.316 412 F C -1.201 174.544 175.800 -0.091 0.000 1.136 412 F CA -1.182 56.783 58.000 -0.058 0.000 0.989 412 F CB 2.075 40.898 39.000 -0.296 0.000 1.258 412 F HN 0.497 nan 8.300 nan 0.000 0.451 413 K N 6.972 127.161 120.400 -0.353 0.000 2.312 413 K HA 0.376 4.683 4.320 -0.022 0.000 0.287 413 K C 0.475 176.588 176.600 -0.812 0.000 1.062 413 K CA -0.266 55.737 56.287 -0.474 0.000 0.934 413 K CB 1.298 33.575 32.500 -0.371 0.000 1.027 413 K HN 0.708 nan 8.250 nan 0.000 0.478 414 L N 2.477 123.376 121.223 -0.540 0.000 2.554 414 L HA 0.048 4.376 4.340 -0.022 0.000 0.225 414 L C 1.434 178.174 176.870 -0.217 0.000 1.104 414 L CA 0.235 54.832 54.840 -0.405 0.000 0.866 414 L CB -0.452 41.524 42.059 -0.138 0.000 1.047 414 L HN 1.091 nan 8.230 nan 0.000 0.468 415 G N 1.591 110.283 108.800 -0.180 0.000 2.661 415 G HA2 -0.470 3.477 3.960 -0.022 0.000 0.327 415 G HA3 -0.470 3.477 3.960 -0.022 0.000 0.327 415 G C 0.798 175.682 174.900 -0.027 0.000 1.320 415 G CA 1.045 46.093 45.100 -0.087 0.000 0.997 415 G HN 0.380 nan 8.290 nan 0.000 0.543 416 T N -1.603 112.936 114.554 -0.025 0.000 3.186 416 T HA 0.404 4.741 4.350 -0.022 0.000 0.257 416 T C 1.792 176.481 174.700 -0.020 0.000 1.029 416 T CA 0.794 62.900 62.100 0.010 0.000 0.916 416 T CB 0.619 69.494 68.868 0.012 0.000 1.041 416 T HN 0.578 nan 8.240 nan 0.000 0.562 417 R N 1.065 121.521 120.500 -0.073 0.000 2.115 417 R HA -0.154 4.173 4.340 -0.022 0.000 0.239 417 R C 1.096 177.224 176.300 -0.287 0.000 1.133 417 R CA 1.977 57.944 56.100 -0.223 0.000 0.935 417 R CB -0.789 29.307 30.300 -0.340 0.000 0.853 417 R HN 0.592 nan 8.270 nan 0.000 0.433 418 Y N -0.013 120.279 120.300 -0.013 0.000 2.397 418 Y HA -0.042 4.490 4.550 -0.030 0.000 0.292 418 Y C 2.693 178.606 175.900 0.022 0.000 1.115 418 Y CA 1.138 59.236 58.100 -0.005 0.000 1.208 418 Y CB -0.162 38.304 38.460 0.011 0.000 1.046 418 Y HN 0.245 nan 8.280 nan 0.000 0.552 419 S N -0.505 115.309 115.700 0.189 0.000 2.383 419 S HA -0.160 4.297 4.470 -0.022 0.000 0.227 419 S C 1.473 176.115 174.600 0.070 0.000 1.026 419 S CA 1.402 59.685 58.200 0.138 0.000 0.981 419 S CB -0.368 62.924 63.200 0.153 0.000 0.818 419 S HN 0.305 nan 8.310 nan 0.000 0.472 420 D N 2.544 122.963 120.400 0.032 0.000 2.097 420 D HA 0.067 4.694 4.640 -0.022 0.000 0.195 420 D C 2.327 178.621 176.300 -0.010 0.000 0.989 420 D CA 1.578 55.578 54.000 -0.001 0.000 0.827 420 D CB -0.730 40.052 40.800 -0.029 0.000 0.966 420 D HN 0.540 nan 8.370 nan 0.000 0.456 421 A N 0.397 123.199 122.820 -0.030 0.000 1.930 421 A HA -0.086 4.221 4.320 -0.022 0.000 0.217 421 A C 2.132 179.718 177.584 0.004 0.000 1.175 421 A CA 1.229 53.246 52.037 -0.035 0.000 0.627 421 A CB -0.371 18.579 19.000 -0.084 0.000 0.815 421 A HN 0.178 nan 8.150 nan 0.000 0.443 422 M N -1.709 117.913 119.600 0.036 0.000 2.441 422 M HA 0.226 4.693 4.480 -0.022 0.000 0.244 422 M C 1.185 177.506 176.300 0.035 0.000 1.122 422 M CA 0.691 56.018 55.300 0.045 0.000 1.041 422 M CB 0.518 33.164 32.600 0.077 0.000 1.438 422 M HN 0.589 nan 8.290 nan 0.000 0.484 423 G N 1.576 110.396 108.800 0.033 0.000 2.149 423 G HA2 -0.193 3.754 3.960 -0.022 0.000 0.235 423 G HA3 -0.193 3.754 3.960 -0.022 0.000 0.235 423 G C 0.074 174.992 174.900 0.031 0.000 1.018 423 G CA 0.084 45.199 45.100 0.026 0.000 0.728 423 G HN 0.663 nan 8.290 nan 0.000 0.508 424 A N 0.959 123.809 122.820 0.049 0.000 2.539 424 A HA 0.689 4.996 4.320 -0.022 0.000 0.306 424 A C 0.885 178.505 177.584 0.060 0.000 1.392 424 A CA 1.043 53.111 52.037 0.052 0.000 1.060 424 A CB -0.126 18.923 19.000 0.083 0.000 1.134 424 A HN 1.729 nan 8.150 nan 0.000 0.542 425 T N -0.624 113.955 114.554 0.042 0.000 2.924 425 T HA 0.761 5.098 4.350 -0.022 0.000 0.291 425 T C -0.181 174.549 174.700 0.050 0.000 1.045 425 T CA -0.194 61.935 62.100 0.048 0.000 1.015 425 T CB 1.392 70.282 68.868 0.037 0.000 1.103 425 T HN 1.331 nan 8.240 nan 0.000 0.496 426 V N -0.277 119.679 119.914 0.068 0.000 3.001 426 V HA 0.673 4.780 4.120 -0.022 0.000 0.314 426 V C -0.293 175.856 176.094 0.091 0.000 1.099 426 V CA -1.522 60.828 62.300 0.084 0.000 0.989 426 V CB 1.463 33.356 31.823 0.118 0.000 1.040 426 V HN 1.023 nan 8.190 nan 0.000 0.434 427 L N 3.282 124.570 121.223 0.109 0.000 2.410 427 L HA 0.328 4.655 4.340 -0.022 0.000 0.273 427 L C 0.442 177.420 176.870 0.180 0.000 1.152 427 L CA -0.075 54.837 54.840 0.119 0.000 0.855 427 L CB 0.740 42.877 42.059 0.130 0.000 1.129 427 L HN 1.047 nan 8.230 nan 0.000 0.463 428 D N 1.578 122.006 120.400 0.046 0.000 2.478 428 D HA -0.010 4.617 4.640 -0.022 0.000 0.274 428 D C 0.835 176.833 176.300 -0.503 0.000 1.234 428 D CA -0.451 53.483 54.000 -0.110 0.000 1.069 428 D CB 0.360 41.104 40.800 -0.092 0.000 1.113 428 D HN 0.620 nan 8.370 nan 0.000 0.571 429 E N -0.899 118.744 120.200 -0.928 0.000 2.347 429 E HA -0.148 4.189 4.350 -0.022 0.000 0.196 429 E C 0.658 177.028 176.600 -0.384 0.000 1.008 429 E CA 0.832 56.600 56.400 -1.053 0.000 0.852 429 E CB -0.660 28.542 29.700 -0.830 0.000 0.783 429 E HN 0.449 nan 8.360 nan 0.000 0.505 430 N N 0.181 118.734 118.700 -0.245 0.000 2.299 430 N HA 0.138 4.865 4.740 -0.022 0.000 0.187 430 N C 0.633 176.100 175.510 -0.073 0.000 1.099 430 N CA 0.364 53.341 53.050 -0.121 0.000 0.867 430 N CB 1.125 39.557 38.487 -0.092 0.000 0.974 430 N HN 0.310 nan 8.380 nan 0.000 0.477 431 G N 1.136 109.893 108.800 -0.071 0.000 2.147 431 G HA2 -0.310 3.637 3.960 -0.022 0.000 0.244 431 G HA3 -0.310 3.637 3.960 -0.022 0.000 0.244 431 G C -0.154 174.742 174.900 -0.008 0.000 1.005 431 G CA -0.289 44.803 45.100 -0.013 0.000 0.713 431 G HN 0.249 nan 8.290 nan 0.000 0.515 432 R N 0.125 120.612 120.500 -0.021 0.000 2.349 432 R HA 0.453 4.780 4.340 -0.022 0.000 0.299 432 R C 0.306 176.611 176.300 0.009 0.000 1.027 432 R CA -0.647 55.448 56.100 -0.008 0.000 0.958 432 R CB 1.149 31.439 30.300 -0.016 0.000 1.047 432 R HN 0.409 nan 8.270 nan 0.000 0.468 433 E N 2.400 122.609 120.200 0.015 0.000 2.376 433 E HA 0.002 4.339 4.350 -0.022 0.000 0.266 433 E C -0.703 175.911 176.600 0.024 0.000 1.009 433 E CA 0.417 56.832 56.400 0.025 0.000 0.902 433 E CB 0.663 30.375 29.700 0.020 0.000 0.972 433 E HN 0.206 nan 8.360 nan 0.000 0.439 434 K N 2.278 122.700 120.400 0.037 0.000 2.513 434 K HA 0.241 4.548 4.320 -0.022 0.000 0.251 434 K C -1.198 175.433 176.600 0.053 0.000 0.939 434 K CA -0.672 55.638 56.287 0.039 0.000 0.793 434 K CB 1.794 34.321 32.500 0.045 0.000 1.241 434 K HN 0.437 nan 8.250 nan 0.000 0.431 435 S N 1.725 117.454 115.700 0.049 0.000 2.537 435 S HA 0.059 4.516 4.470 -0.022 0.000 0.286 435 S C 0.090 174.745 174.600 0.092 0.000 1.299 435 S CA -0.572 57.666 58.200 0.064 0.000 1.067 435 S CB 0.611 63.840 63.200 0.048 0.000 0.864 435 S HN 0.320 nan 8.310 nan 0.000 0.494 436 V N 5.253 125.242 119.914 0.126 0.000 2.655 436 V HA 0.110 4.217 4.120 -0.022 0.000 0.300 436 V C 0.492 176.694 176.094 0.179 0.000 1.044 436 V CA -0.009 62.396 62.300 0.175 0.000 1.095 436 V CB 0.136 32.098 31.823 0.231 0.000 0.952 436 V HN 0.678 nan 8.190 nan 0.000 0.485 437 I N 5.879 126.558 120.570 0.182 0.000 2.428 437 I HA 0.360 4.517 4.170 -0.022 0.000 0.289 437 I C 0.183 176.416 176.117 0.193 0.000 1.019 437 I CA 0.263 61.657 61.300 0.156 0.000 1.351 437 I CB 0.954 39.040 38.000 0.143 0.000 1.412 437 I HN 0.519 nan 8.210 nan 0.000 0.513 438 M N 4.453 124.110 119.600 0.094 0.000 2.591 438 M HA 0.614 5.081 4.480 -0.022 0.000 0.306 438 M C -0.113 176.144 176.300 -0.073 0.000 1.190 438 M CA -0.504 54.785 55.300 -0.019 0.000 0.889 438 M CB 2.439 34.983 32.600 -0.094 0.000 1.728 438 M HN 0.623 nan 8.290 nan 0.000 0.458 439 G N 0.387 109.107 108.800 -0.133 0.000 2.569 439 G HA2 0.815 4.762 3.960 -0.022 0.000 0.300 439 G HA3 0.815 4.762 3.960 -0.022 0.000 0.300 439 G C -1.504 172.925 174.900 -0.785 0.000 1.269 439 G CA -0.666 44.204 45.100 -0.383 0.000 0.959 439 G HN 1.078 nan 8.290 nan 0.000 0.478 440 C N -1.300 117.261 119.300 -1.231 0.000 3.173 440 C HA 0.930 5.377 4.460 -0.022 0.000 0.310 440 C C -1.938 172.191 174.990 -1.435 0.000 1.306 440 C CA -1.531 56.734 59.018 -1.255 0.000 1.426 440 C CB 0.425 27.776 27.740 -0.648 0.000 1.800 440 C HN 0.794 nan 8.230 nan 0.000 0.470 441 Y N 0.622 120.541 120.300 -0.635 0.000 2.323 441 Y HA 0.633 5.171 4.550 -0.021 0.000 0.322 441 Y C 0.293 176.015 175.900 -0.296 0.000 1.133 441 Y CA -0.200 57.572 58.100 -0.547 0.000 1.093 441 Y CB 1.876 39.619 38.460 -1.195 0.000 1.203 441 Y HN 1.227 nan 8.280 nan 0.000 0.427 442 G N 3.240 112.098 108.800 0.097 0.000 2.513 442 G HA2 0.772 4.719 3.960 -0.022 0.000 0.317 442 G HA3 0.772 4.719 3.960 -0.022 0.000 0.317 442 G C -1.336 173.703 174.900 0.233 0.000 1.277 442 G CA -0.777 44.403 45.100 0.134 0.000 0.955 442 G HN 0.541 nan 8.290 nan 0.000 0.484 443 I N 1.731 122.375 120.570 0.124 0.000 2.418 443 I HA 0.342 4.499 4.170 -0.022 0.000 0.287 443 I C 0.836 177.038 176.117 0.142 0.000 1.008 443 I CA -0.937 60.413 61.300 0.084 0.000 1.104 443 I CB 2.230 40.168 38.000 -0.103 0.000 1.264 443 I HN 0.572 nan 8.210 nan 0.000 0.438 444 G N 5.109 113.999 108.800 0.150 0.000 2.367 444 G HA2 0.298 4.245 3.960 -0.022 0.000 0.282 444 G HA3 0.298 4.245 3.960 -0.022 0.000 0.282 444 G C 0.821 175.798 174.900 0.129 0.000 1.140 444 G CA -0.309 44.890 45.100 0.166 0.000 1.088 444 G HN 0.506 nan 8.290 nan 0.000 0.431 445 V N 2.883 122.883 119.914 0.143 0.000 2.323 445 V HA -0.185 3.922 4.120 -0.022 0.000 0.244 445 V C 2.963 179.092 176.094 0.059 0.000 1.041 445 V CA 2.409 64.755 62.300 0.076 0.000 1.025 445 V CB -0.386 31.465 31.823 0.047 0.000 0.656 445 V HN 0.819 nan 8.190 nan 0.000 0.451 446 S N 0.803 116.562 115.700 0.098 0.000 2.406 446 S HA -0.208 4.249 4.470 -0.022 0.000 0.228 446 S C 2.038 176.716 174.600 0.130 0.000 1.020 446 S CA 1.289 59.561 58.200 0.119 0.000 0.965 446 S CB -0.483 62.872 63.200 0.259 0.000 0.798 446 S HN 0.610 nan 8.310 nan 0.000 0.488 447 R N 1.044 121.605 120.500 0.102 0.000 2.092 447 R HA 0.129 4.456 4.340 -0.022 0.000 0.231 447 R C 2.343 178.660 176.300 0.028 0.000 1.119 447 R CA 0.943 57.067 56.100 0.039 0.000 0.970 447 R CB -0.426 29.865 30.300 -0.014 0.000 0.864 447 R HN 0.433 nan 8.270 nan 0.000 0.440 448 L N 1.112 122.359 121.223 0.040 0.000 2.012 448 L HA -0.204 4.123 4.340 -0.022 0.000 0.210 448 L C 2.463 179.375 176.870 0.072 0.000 1.073 448 L CA 1.484 56.346 54.840 0.037 0.000 0.748 448 L CB -0.404 41.693 42.059 0.063 0.000 0.891 448 L HN 0.421 nan 8.230 nan 0.000 0.431 449 L N -0.960 120.320 121.223 0.095 0.000 1.990 449 L HA -0.311 4.016 4.340 -0.022 0.000 0.213 449 L C 2.627 179.598 176.870 0.168 0.000 1.072 449 L CA 1.967 56.908 54.840 0.170 0.000 0.755 449 L CB -0.209 41.942 42.059 0.153 0.000 0.889 449 L HN 0.201 nan 8.230 nan 0.000 0.432 450 S N -0.429 115.328 115.700 0.095 0.000 2.356 450 S HA -0.177 4.280 4.470 -0.022 0.000 0.223 450 S C 2.034 176.633 174.600 -0.001 0.000 1.032 450 S CA 1.189 59.410 58.200 0.035 0.000 1.005 450 S CB -0.397 62.814 63.200 0.019 0.000 0.867 450 S HN 0.679 nan 8.310 nan 0.000 0.449 451 A N 1.192 124.012 122.820 -0.000 0.000 1.908 451 A HA -0.083 4.224 4.320 -0.022 0.000 0.218 451 A C 2.032 179.609 177.584 -0.011 0.000 1.181 451 A CA 1.329 53.352 52.037 -0.023 0.000 0.627 451 A CB -0.715 18.255 19.000 -0.051 0.000 0.818 451 A HN 0.515 nan 8.150 nan 0.000 0.445 452 I N -0.521 120.071 120.570 0.035 0.000 2.179 452 I HA -0.226 3.931 4.170 -0.022 0.000 0.242 452 I C 2.357 178.439 176.117 -0.058 0.000 1.088 452 I CA 1.259 62.596 61.300 0.061 0.000 1.357 452 I CB -0.422 37.711 38.000 0.222 0.000 1.051 452 I HN 0.154 nan 8.210 nan 0.000 0.409 453 V N 0.524 120.354 119.914 -0.139 0.000 2.332 453 V HA -0.264 3.843 4.120 -0.022 0.000 0.248 453 V C 2.508 178.479 176.094 -0.205 0.000 1.055 453 V CA 1.773 63.875 62.300 -0.329 0.000 1.038 453 V CB -0.681 30.937 31.823 -0.342 0.000 0.651 453 V HN 0.413 nan 8.190 nan 0.000 0.450 454 E N -0.041 120.089 120.200 -0.117 0.000 2.160 454 E HA -0.246 4.091 4.350 -0.022 0.000 0.195 454 E C 2.216 178.769 176.600 -0.079 0.000 0.991 454 E CA 1.329 57.678 56.400 -0.086 0.000 0.810 454 E CB -0.170 29.497 29.700 -0.055 0.000 0.742 454 E HN 0.700 nan 8.360 nan 0.000 0.466 455 Q N -0.463 119.294 119.800 -0.072 0.000 2.424 455 Q HA 0.031 4.358 4.340 -0.022 0.000 0.204 455 Q C 0.355 176.315 176.000 -0.067 0.000 0.933 455 Q CA 0.381 56.154 55.803 -0.050 0.000 0.929 455 Q CB 0.226 28.954 28.738 -0.018 0.000 1.037 455 Q HN 0.173 nan 8.270 nan 0.000 0.511 456 N N -0.603 118.025 118.700 -0.119 0.000 2.305 456 N HA 0.234 4.961 4.740 -0.022 0.000 0.248 456 N C -1.151 174.231 175.510 -0.213 0.000 1.290 456 N CA -0.122 52.842 53.050 -0.144 0.000 0.873 456 N CB 1.728 40.127 38.487 -0.147 0.000 1.261 456 N HN 0.006 nan 8.380 nan 0.000 0.504 457 A N 0.526 123.226 122.820 -0.200 0.000 2.337 457 A HA 0.642 4.949 4.320 -0.022 0.000 0.329 457 A C -0.710 176.799 177.584 -0.125 0.000 1.146 457 A CA -0.618 51.296 52.037 -0.205 0.000 0.800 457 A CB 0.866 19.722 19.000 -0.239 0.000 1.220 457 A HN 0.245 nan 8.150 nan 0.000 0.472 458 D N -0.205 120.132 120.400 -0.104 0.000 2.616 458 D HA 0.384 5.011 4.640 -0.022 0.000 0.260 458 D C 0.812 177.075 176.300 -0.061 0.000 1.158 458 D CA -0.058 53.901 54.000 -0.068 0.000 1.085 458 D CB 0.335 41.105 40.800 -0.049 0.000 1.222 458 D HN 0.581 nan 8.370 nan 0.000 0.626 459 E N -0.832 119.343 120.200 -0.040 0.000 2.347 459 E HA -0.095 4.242 4.350 -0.022 0.000 0.196 459 E C 1.403 177.990 176.600 -0.021 0.000 1.008 459 E CA 0.291 56.673 56.400 -0.030 0.000 0.852 459 E CB -0.066 29.622 29.700 -0.019 0.000 0.783 459 E HN 0.158 nan 8.360 nan 0.000 0.505 460 R N 0.903 121.391 120.500 -0.020 0.000 2.240 460 R HA 0.208 4.535 4.340 -0.022 0.000 0.203 460 R C 0.809 177.109 176.300 0.000 0.000 1.011 460 R CA 0.941 57.039 56.100 -0.005 0.000 1.007 460 R CB 0.894 31.192 30.300 -0.002 0.000 0.911 460 R HN 0.317 nan 8.270 nan 0.000 0.468 461 G N 0.169 108.951 108.800 -0.029 0.000 2.356 461 G HA2 0.088 4.035 3.960 -0.022 0.000 0.288 461 G HA3 0.088 4.035 3.960 -0.022 0.000 0.288 461 G C -1.402 173.420 174.900 -0.130 0.000 1.302 461 G CA -1.011 44.064 45.100 -0.041 0.000 0.887 461 G HN 0.002 nan 8.290 nan 0.000 0.521 462 I N 1.485 121.935 120.570 -0.200 0.000 2.321 462 I HA 0.284 4.441 4.170 -0.022 0.000 0.291 462 I C -0.447 175.422 176.117 -0.415 0.000 0.998 462 I CA -0.912 60.099 61.300 -0.482 0.000 1.227 462 I CB 1.526 38.956 38.000 -0.950 0.000 1.368 462 I HN 0.245 nan 8.210 nan 0.000 0.466 463 N N 6.849 125.339 118.700 -0.350 0.000 2.918 463 N HA 0.142 4.869 4.740 -0.022 0.000 0.247 463 N C -1.062 174.388 175.510 -0.100 0.000 1.117 463 N CA -0.299 52.662 53.050 -0.148 0.000 1.005 463 N CB 0.395 38.834 38.487 -0.080 0.000 1.297 463 N HN 0.481 nan 8.380 nan 0.000 0.513 464 W N 2.267 123.587 121.300 0.033 0.000 2.303 464 W HA 0.180 4.827 4.660 -0.022 0.000 0.318 464 W C -1.549 174.990 176.519 0.034 0.000 1.362 464 W CA -1.230 56.132 57.345 0.029 0.000 1.234 464 W CB 0.062 29.552 29.460 0.051 0.000 1.248 464 W HN 0.296 nan 8.180 nan 0.000 0.546 465 P HA -0.039 nan 4.420 nan 0.000 0.270 465 P C -0.142 177.261 177.300 0.173 0.000 1.221 465 P CA 0.051 63.262 63.100 0.185 0.000 0.788 465 P CB 0.299 32.093 31.700 0.156 0.000 0.904 466 T N 1.185 115.810 114.554 0.118 0.000 2.866 466 T HA 0.293 4.630 4.350 -0.022 0.000 0.293 466 T C 1.349 176.085 174.700 0.060 0.000 1.005 466 T CA 1.207 63.361 62.100 0.090 0.000 1.162 466 T CB -0.642 68.266 68.868 0.067 0.000 0.968 466 T HN 0.861 nan 8.240 nan 0.000 0.530 467 G N 2.475 111.299 108.800 0.040 0.000 2.175 467 G HA2 -0.225 3.722 3.960 -0.022 0.000 0.244 467 G HA3 -0.225 3.722 3.960 -0.022 0.000 0.244 467 G C 0.580 175.442 174.900 -0.062 0.000 0.982 467 G CA 0.125 45.216 45.100 -0.015 0.000 0.641 467 G HN 0.705 nan 8.290 nan 0.000 0.527 468 I N 0.886 121.424 120.570 -0.054 0.000 4.456 468 I HA 0.504 4.661 4.170 -0.022 0.000 0.329 468 I C 1.722 177.536 176.117 -0.506 0.000 1.313 468 I CA 0.515 61.705 61.300 -0.183 0.000 1.205 468 I CB 0.585 38.574 38.000 -0.019 0.000 1.179 468 I HN 0.371 nan 8.210 nan 0.000 0.419 469 A N 2.574 125.205 122.820 -0.314 0.000 2.483 469 A HA 0.199 4.506 4.320 -0.022 0.000 0.238 469 A C -1.393 175.953 177.584 -0.397 0.000 1.070 469 A CA -0.684 51.074 52.037 -0.465 0.000 0.770 469 A CB -0.402 18.648 19.000 0.082 0.000 1.008 469 A HN 0.065 nan 8.150 nan 0.000 0.497 470 P HA -0.017 nan 4.420 nan 0.000 0.222 470 P C -0.214 176.684 177.300 -0.671 0.000 1.147 470 P CA 1.244 64.070 63.100 -0.455 0.000 0.790 470 P CB 0.006 31.523 31.700 -0.305 0.000 0.780 471 F N -1.157 118.753 119.950 -0.066 0.000 2.613 471 F HA 0.278 4.792 4.527 -0.021 0.000 0.310 471 F C 1.232 177.057 175.800 0.042 0.000 1.085 471 F CA -0.843 57.145 58.000 -0.020 0.000 0.945 471 F CB 1.173 40.146 39.000 -0.046 0.000 1.298 471 F HN -0.389 nan 8.300 nan 0.000 0.455 472 D N 0.833 121.407 120.400 0.289 0.000 2.144 472 D HA 0.104 4.731 4.640 -0.022 0.000 0.207 472 D C 0.162 176.599 176.300 0.228 0.000 0.970 472 D CA 1.413 55.574 54.000 0.268 0.000 0.853 472 D CB 0.400 41.444 40.800 0.406 0.000 1.007 472 D HN 0.139 nan 8.370 nan 0.000 0.469 473 L N 0.393 121.736 121.223 0.200 0.000 2.341 473 L HA 0.379 4.706 4.340 -0.022 0.000 0.278 473 L C -0.349 176.591 176.870 0.116 0.000 1.005 473 L CA -0.611 54.291 54.840 0.104 0.000 0.818 473 L CB 2.407 44.453 42.059 -0.022 0.000 1.259 473 L HN -0.009 nan 8.230 nan 0.000 0.418 474 H N 2.473 121.548 119.070 0.008 0.000 2.595 474 H HA 0.446 4.989 4.556 -0.021 0.000 0.313 474 H C -1.018 174.280 175.328 -0.050 0.000 1.023 474 H CA -0.827 55.191 56.048 -0.049 0.000 1.218 474 H CB 1.571 31.335 29.762 0.003 0.000 1.403 474 H HN 0.338 nan 8.280 nan 0.000 0.477 475 V N 6.854 126.865 119.914 0.162 0.000 2.427 475 V HA 0.048 4.155 4.120 -0.022 0.000 0.268 475 V C -0.039 176.057 176.094 0.003 0.000 1.046 475 V CA -0.439 61.890 62.300 0.048 0.000 0.970 475 V CB 0.939 32.766 31.823 0.007 0.000 1.001 475 V HN 0.489 nan 8.190 nan 0.000 0.476 476 V N 5.885 125.728 119.914 -0.117 0.000 2.333 476 V HA 0.319 4.426 4.120 -0.022 0.000 0.274 476 V C 0.134 176.130 176.094 -0.164 0.000 1.028 476 V CA -0.405 61.748 62.300 -0.244 0.000 0.851 476 V CB 1.279 32.805 31.823 -0.495 0.000 1.000 476 V HN 0.957 nan 8.190 nan 0.000 0.456 477 Q N 4.507 124.228 119.800 -0.131 0.000 2.278 477 Q HA 0.328 4.655 4.340 -0.022 0.000 0.257 477 Q C 0.675 176.613 176.000 -0.104 0.000 0.928 477 Q CA -0.756 54.998 55.803 -0.083 0.000 0.932 477 Q CB 1.366 30.073 28.738 -0.051 0.000 1.221 477 Q HN 0.650 nan 8.270 nan 0.000 0.434 478 M N 1.936 121.495 119.600 -0.067 0.000 2.123 478 M HA -0.001 4.466 4.480 -0.022 0.000 0.263 478 M C 0.461 176.740 176.300 -0.036 0.000 1.069 478 M CA 1.147 56.414 55.300 -0.054 0.000 1.133 478 M CB -0.826 31.773 32.600 -0.000 0.000 1.356 478 M HN 0.516 nan 8.290 nan 0.000 0.415 479 N N 0.879 119.569 118.700 -0.016 0.000 2.491 479 N HA 0.245 4.972 4.740 -0.022 0.000 0.274 479 N C 0.461 175.966 175.510 -0.008 0.000 1.023 479 N CA -0.162 52.884 53.050 -0.007 0.000 0.902 479 N CB 1.729 40.222 38.487 0.010 0.000 1.267 479 N HN -0.027 nan 8.380 nan 0.000 0.503 480 V N 1.643 121.546 119.914 -0.018 0.000 2.970 480 V HA 0.054 4.161 4.120 -0.022 0.000 0.260 480 V C 1.307 177.392 176.094 -0.015 0.000 1.100 480 V CA 1.293 63.580 62.300 -0.020 0.000 1.122 480 V CB -0.446 31.361 31.823 -0.026 0.000 0.721 480 V HN 0.461 nan 8.190 nan 0.000 0.483 481 K N 0.435 120.830 120.400 -0.008 0.000 2.367 481 K HA 0.135 4.442 4.320 -0.022 0.000 0.194 481 K C 0.546 177.145 176.600 -0.001 0.000 1.027 481 K CA 0.104 56.386 56.287 -0.008 0.000 1.075 481 K CB 0.143 32.640 32.500 -0.004 0.000 0.845 481 K HN 0.469 nan 8.250 nan 0.000 0.529 482 D N 1.390 121.799 120.400 0.014 0.000 2.325 482 D HA 0.010 4.637 4.640 -0.022 0.000 0.251 482 D C 0.245 176.554 176.300 0.015 0.000 1.196 482 D CA 0.261 54.288 54.000 0.045 0.000 0.866 482 D CB 1.183 42.030 40.800 0.077 0.000 1.101 482 D HN 0.049 nan 8.370 nan 0.000 0.476 483 E N 2.384 122.551 120.200 -0.056 0.000 2.152 483 E HA -0.153 4.185 4.350 -0.022 0.000 0.192 483 E C 1.138 177.632 176.600 -0.177 0.000 0.983 483 E CA 0.824 57.127 56.400 -0.162 0.000 0.818 483 E CB 0.053 29.593 29.700 -0.267 0.000 0.758 483 E HN 0.620 nan 8.360 nan 0.000 0.467 484 Y N 1.322 121.619 120.300 -0.006 0.000 2.128 484 Y HA -0.262 4.275 4.550 -0.022 0.000 0.284 484 Y C 2.483 178.379 175.900 -0.007 0.000 1.154 484 Y CA 1.348 59.445 58.100 -0.006 0.000 1.149 484 Y CB -0.283 38.175 38.460 -0.004 0.000 0.976 484 Y HN 0.038 nan 8.280 nan 0.000 0.505 485 Q N -0.358 119.532 119.800 0.151 0.000 2.030 485 Q HA -0.201 4.126 4.340 -0.022 0.000 0.204 485 Q C 2.235 178.256 176.000 0.034 0.000 0.986 485 Q CA 2.377 58.224 55.803 0.073 0.000 0.843 485 Q CB -0.578 28.190 28.738 0.050 0.000 0.904 485 Q HN 0.449 nan 8.270 nan 0.000 0.420 486 T N 1.261 115.822 114.554 0.011 0.000 2.699 486 T HA -0.185 4.152 4.350 -0.022 0.000 0.268 486 T C 1.683 176.378 174.700 -0.009 0.000 1.036 486 T CA 1.541 63.635 62.100 -0.010 0.000 1.147 486 T CB -0.148 68.704 68.868 -0.027 0.000 0.862 486 T HN 0.232 nan 8.240 nan 0.000 0.446 487 K N 0.257 120.653 120.400 -0.008 0.000 2.026 487 K HA -0.011 4.296 4.320 -0.022 0.000 0.208 487 K C 2.198 178.807 176.600 0.016 0.000 1.048 487 K CA 0.936 57.221 56.287 -0.003 0.000 0.929 487 K CB -0.358 32.139 32.500 -0.005 0.000 0.713 487 K HN 0.121 nan 8.250 nan 0.000 0.439 488 L N 1.049 122.292 121.223 0.034 0.000 2.093 488 L HA -0.111 4.216 4.340 -0.022 0.000 0.208 488 L C 1.936 178.815 176.870 0.015 0.000 1.085 488 L CA 1.716 56.575 54.840 0.031 0.000 0.755 488 L CB -0.451 41.634 42.059 0.044 0.000 0.904 488 L HN -0.001 nan 8.230 nan 0.000 0.435 489 S N -0.697 115.007 115.700 0.008 0.000 2.368 489 S HA -0.235 4.222 4.470 -0.022 0.000 0.225 489 S C 1.847 176.443 174.600 -0.006 0.000 1.030 489 S CA 1.496 59.694 58.200 -0.004 0.000 0.999 489 S CB -0.268 62.926 63.200 -0.011 0.000 0.844 489 S HN 0.573 nan 8.310 nan 0.000 0.459 490 Q N 0.726 120.523 119.800 -0.005 0.000 2.084 490 Q HA -0.121 4.206 4.340 -0.022 0.000 0.202 490 Q C 2.192 178.194 176.000 0.003 0.000 0.978 490 Q CA 1.261 57.062 55.803 -0.004 0.000 0.844 490 Q CB -0.154 28.581 28.738 -0.006 0.000 0.898 490 Q HN 0.599 nan 8.270 nan 0.000 0.426 491 E N -0.192 120.013 120.200 0.007 0.000 2.077 491 E HA -0.171 4.167 4.350 -0.022 0.000 0.193 491 E C 2.065 178.672 176.600 0.012 0.000 0.989 491 E CA 1.327 57.735 56.400 0.012 0.000 0.800 491 E CB 0.040 29.750 29.700 0.016 0.000 0.746 491 E HN 0.122 nan 8.360 nan 0.000 0.452 492 V N 1.388 121.306 119.914 0.006 0.000 2.295 492 V HA -0.282 3.825 4.120 -0.022 0.000 0.246 492 V C 2.386 178.484 176.094 0.006 0.000 1.049 492 V CA 2.102 64.402 62.300 -0.000 0.000 1.024 492 V CB -0.498 31.319 31.823 -0.011 0.000 0.648 492 V HN 0.309 nan 8.190 nan 0.000 0.447 493 E N 0.240 120.443 120.200 0.005 0.000 2.038 493 E HA -0.262 4.075 4.350 -0.022 0.000 0.195 493 E C 2.249 178.868 176.600 0.031 0.000 1.000 493 E CA 1.591 57.998 56.400 0.013 0.000 0.803 493 E CB -0.252 29.446 29.700 -0.002 0.000 0.750 493 E HN 0.537 nan 8.360 nan 0.000 0.448 494 A N 1.569 124.404 122.820 0.025 0.000 1.851 494 A HA -0.248 4.059 4.320 -0.022 0.000 0.216 494 A C 2.302 179.911 177.584 0.042 0.000 1.195 494 A CA 2.015 54.069 52.037 0.030 0.000 0.622 494 A CB -0.809 18.204 19.000 0.021 0.000 0.831 494 A HN 0.514 nan 8.150 nan 0.000 0.444 495 M N -1.472 118.152 119.600 0.039 0.000 2.108 495 M HA -0.172 4.295 4.480 -0.022 0.000 0.261 495 M C 1.831 178.179 176.300 0.081 0.000 1.066 495 M CA 1.952 57.281 55.300 0.048 0.000 1.107 495 M CB -0.184 32.436 32.600 0.034 0.000 1.356 495 M HN 0.338 nan 8.290 nan 0.000 0.406 496 M N -0.980 118.673 119.600 0.089 0.000 2.388 496 M HA -0.026 4.441 4.480 -0.022 0.000 0.265 496 M C 1.986 178.423 176.300 0.229 0.000 1.088 496 M CA 1.222 56.626 55.300 0.173 0.000 1.134 496 M CB -1.367 31.266 32.600 0.056 0.000 1.384 496 M HN 0.253 nan 8.290 nan 0.000 0.447 497 T N 1.487 116.124 114.554 0.139 0.000 2.737 497 T HA -0.153 4.184 4.350 -0.022 0.000 0.265 497 T C 1.688 176.439 174.700 0.085 0.000 1.038 497 T CA 1.751 63.921 62.100 0.116 0.000 1.144 497 T CB -0.215 68.703 68.868 0.083 0.000 0.866 497 T HN 0.587 nan 8.240 nan 0.000 0.434 498 E N 1.953 122.196 120.200 0.071 0.000 2.110 498 E HA -0.084 4.253 4.350 -0.022 0.000 0.193 498 E C 2.348 178.978 176.600 0.051 0.000 0.988 498 E CA 1.145 57.574 56.400 0.049 0.000 0.804 498 E CB -0.438 29.285 29.700 0.039 0.000 0.745 498 E HN 0.455 nan 8.360 nan 0.000 0.458 499 A N 1.154 124.030 122.820 0.093 0.000 2.186 499 A HA 0.045 4.352 4.320 -0.022 0.000 0.219 499 A C 2.014 179.592 177.584 -0.010 0.000 1.159 499 A CA 1.446 53.544 52.037 0.102 0.000 0.680 499 A CB -0.879 18.277 19.000 0.260 0.000 0.787 499 A HN 0.677 nan 8.150 nan 0.000 0.467 500 G N -3.576 105.217 108.800 -0.012 0.000 2.141 500 G HA2 -0.242 3.705 3.960 -0.022 0.000 0.231 500 G HA3 -0.242 3.705 3.960 -0.022 0.000 0.231 500 G C -0.125 174.667 174.900 -0.181 0.000 0.984 500 G CA 0.141 45.174 45.100 -0.112 0.000 0.660 500 G HN 0.428 nan 8.290 nan 0.000 0.525 501 Y N 1.106 121.424 120.300 0.030 0.000 2.310 501 Y HA 0.536 5.073 4.550 -0.022 0.000 0.326 501 Y C 0.924 176.864 175.900 0.067 0.000 1.151 501 Y CA -0.584 57.544 58.100 0.047 0.000 1.195 501 Y CB 0.905 39.397 38.460 0.053 0.000 1.210 501 Y HN 0.201 nan 8.280 nan 0.000 0.483 502 E N 2.174 122.529 120.200 0.258 0.000 2.200 502 E HA 0.464 4.801 4.350 -0.022 0.000 0.283 502 E C -1.255 175.584 176.600 0.399 0.000 1.015 502 E CA -0.548 56.020 56.400 0.281 0.000 0.819 502 E CB 1.423 31.224 29.700 0.168 0.000 1.081 502 E HN 0.252 nan 8.360 nan 0.000 0.397 503 V N 4.250 124.363 119.914 0.330 0.000 2.531 503 V HA 0.225 4.332 4.120 -0.022 0.000 0.301 503 V C -0.817 175.103 176.094 -0.290 0.000 1.034 503 V CA -0.895 61.449 62.300 0.073 0.000 0.865 503 V CB 1.573 33.421 31.823 0.042 0.000 0.995 503 V HN 0.479 nan 8.190 nan 0.000 0.424 504 L N 6.616 127.437 121.223 -0.671 0.000 2.295 504 L HA 0.705 5.032 4.340 -0.022 0.000 0.285 504 L C -0.428 176.199 176.870 -0.406 0.000 1.035 504 L CA 0.042 54.261 54.840 -1.036 0.000 0.806 504 L CB 1.688 42.788 42.059 -1.599 0.000 1.214 504 L HN 0.456 nan 8.230 nan 0.000 0.426 505 V N 4.347 124.097 119.914 -0.274 0.000 2.384 505 V HA 0.320 4.427 4.120 -0.022 0.000 0.287 505 V C -0.527 175.531 176.094 -0.060 0.000 1.020 505 V CA -0.733 61.512 62.300 -0.091 0.000 0.850 505 V CB 1.440 33.218 31.823 -0.075 0.000 0.987 505 V HN 0.667 nan 8.190 nan 0.000 0.436 506 D N 4.110 124.527 120.400 0.027 0.000 2.453 506 D HA 0.135 4.762 4.640 -0.022 0.000 0.223 506 D C 0.538 176.813 176.300 -0.042 0.000 1.183 506 D CA -0.298 53.709 54.000 0.011 0.000 0.933 506 D CB 0.858 41.679 40.800 0.035 0.000 1.038 506 D HN 0.717 nan 8.370 nan 0.000 0.513 507 D N 2.113 122.487 120.400 -0.042 0.000 2.368 507 D HA -0.003 4.624 4.640 -0.022 0.000 0.218 507 D C 0.264 176.541 176.300 -0.038 0.000 1.112 507 D CA -0.354 53.621 54.000 -0.041 0.000 0.834 507 D CB 0.034 40.811 40.800 -0.039 0.000 0.953 507 D HN 0.211 nan 8.370 nan 0.000 0.505 508 R N 0.525 121.001 120.500 -0.039 0.000 2.594 508 R HA 0.165 4.492 4.340 -0.022 0.000 0.272 508 R C 0.202 176.481 176.300 -0.036 0.000 1.074 508 R CA -0.509 55.571 56.100 -0.033 0.000 1.105 508 R CB 0.180 30.463 30.300 -0.029 0.000 1.008 508 R HN -0.073 nan 8.270 nan 0.000 0.472 509 N N 2.075 120.759 118.700 -0.027 0.000 2.739 509 N HA -0.013 4.714 4.740 -0.022 0.000 0.266 509 N C -1.276 174.220 175.510 -0.024 0.000 1.168 509 N CA 0.240 53.276 53.050 -0.024 0.000 1.055 509 N CB 0.208 38.684 38.487 -0.017 0.000 1.393 509 N HN 0.394 nan 8.380 nan 0.000 0.514 510 E N 0.665 120.845 120.200 -0.034 0.000 2.356 510 E HA 0.296 4.633 4.350 -0.022 0.000 0.275 510 E C -0.897 175.676 176.600 -0.045 0.000 0.904 510 E CA -0.822 55.557 56.400 -0.035 0.000 0.757 510 E CB 1.143 30.818 29.700 -0.041 0.000 1.232 510 E HN 0.519 nan 8.360 nan 0.000 0.442 511 R N 2.150 122.631 120.500 -0.031 0.000 2.594 511 R HA 0.503 4.830 4.340 -0.022 0.000 0.272 511 R C 0.634 176.904 176.300 -0.051 0.000 1.074 511 R CA 0.418 56.503 56.100 -0.025 0.000 1.105 511 R CB 0.826 31.126 30.300 -0.001 0.000 1.008 511 R HN 0.505 nan 8.270 nan 0.000 0.472 512 A N 3.472 126.259 122.820 -0.054 0.000 1.948 512 A HA -0.180 4.127 4.320 -0.022 0.000 0.220 512 A C 2.198 179.752 177.584 -0.050 0.000 1.177 512 A CA 1.937 53.891 52.037 -0.139 0.000 0.636 512 A CB -1.247 17.755 19.000 0.003 0.000 0.815 512 A HN 0.999 nan 8.150 nan 0.000 0.449 513 G N -0.855 108.003 108.800 0.096 0.000 2.408 513 G HA2 -0.064 3.883 3.960 -0.022 0.000 0.217 513 G HA3 -0.064 3.883 3.960 -0.022 0.000 0.217 513 G C 1.498 176.451 174.900 0.089 0.000 1.150 513 G CA 1.100 46.294 45.100 0.157 0.000 0.776 513 G HN 0.326 nan 8.290 nan 0.000 0.542 514 V N 0.916 120.845 119.914 0.025 0.000 2.295 514 V HA -0.201 3.906 4.120 -0.022 0.000 0.246 514 V C 2.832 178.913 176.094 -0.021 0.000 1.049 514 V CA 2.288 64.593 62.300 0.009 0.000 1.024 514 V CB -0.414 31.409 31.823 -0.001 0.000 0.648 514 V HN 0.377 nan 8.190 nan 0.000 0.447 515 K N -0.749 119.582 120.400 -0.115 0.000 2.026 515 K HA -0.166 4.141 4.320 -0.022 0.000 0.208 515 K C 2.104 178.565 176.600 -0.232 0.000 1.048 515 K CA 1.683 57.838 56.287 -0.219 0.000 0.929 515 K CB -0.395 31.869 32.500 -0.393 0.000 0.713 515 K HN 0.345 nan 8.250 nan 0.000 0.439 516 F N 1.243 121.159 119.950 -0.056 0.000 2.134 516 F HA -0.153 4.361 4.527 -0.022 0.000 0.299 516 F C 2.608 178.392 175.800 -0.026 0.000 1.097 516 F CA 1.117 59.081 58.000 -0.060 0.000 1.264 516 F CB -0.950 38.024 39.000 -0.044 0.000 1.001 516 F HN 0.035 nan 8.300 nan 0.000 0.479 517 A N -0.045 122.877 122.820 0.170 0.000 1.877 517 A HA -0.183 4.124 4.320 -0.022 0.000 0.216 517 A C 2.040 179.685 177.584 0.101 0.000 1.186 517 A CA 1.958 54.062 52.037 0.112 0.000 0.620 517 A CB -0.946 18.103 19.000 0.083 0.000 0.822 517 A HN 0.267 nan 8.150 nan 0.000 0.443 518 D N 0.199 120.650 120.400 0.086 0.000 2.106 518 D HA -0.147 4.480 4.640 -0.022 0.000 0.191 518 D C 2.230 178.633 176.300 0.172 0.000 0.997 518 D CA 1.829 55.896 54.000 0.112 0.000 0.834 518 D CB -0.535 40.317 40.800 0.087 0.000 0.956 518 D HN 0.420 nan 8.370 nan 0.000 0.448 519 A N 0.838 123.733 122.820 0.126 0.000 1.940 519 A HA -0.219 4.088 4.320 -0.022 0.000 0.219 519 A C 1.866 179.575 177.584 0.209 0.000 1.176 519 A CA 1.927 54.057 52.037 0.154 0.000 0.631 519 A CB -0.479 18.419 19.000 -0.169 0.000 0.814 519 A HN 0.065 nan 8.150 nan 0.000 0.446 520 D N -0.132 120.361 120.400 0.155 0.000 2.117 520 D HA -0.096 4.531 4.640 -0.022 0.000 0.197 520 D C 1.930 178.307 176.300 0.128 0.000 0.987 520 D CA 0.952 55.028 54.000 0.127 0.000 0.829 520 D CB -0.274 40.579 40.800 0.090 0.000 0.961 520 D HN 0.460 nan 8.370 nan 0.000 0.460 521 L N 0.182 121.492 121.223 0.146 0.000 2.046 521 L HA -0.112 4.215 4.340 -0.022 0.000 0.208 521 L C 2.419 179.465 176.870 0.293 0.000 1.077 521 L CA 0.743 55.682 54.840 0.164 0.000 0.747 521 L CB -0.226 41.929 42.059 0.160 0.000 0.896 521 L HN 0.037 nan 8.230 nan 0.000 0.432 522 I N -0.505 120.281 120.570 0.361 0.000 2.353 522 I HA -0.099 4.058 4.170 -0.022 0.000 0.248 522 I C 1.481 177.955 176.117 0.595 0.000 1.119 522 I CA 0.932 62.542 61.300 0.516 0.000 1.417 522 I CB -0.514 37.704 38.000 0.364 0.000 1.078 522 I HN 0.462 nan 8.210 nan 0.000 0.421 523 G N 1.015 110.068 108.800 0.422 0.000 2.212 523 G HA2 -0.241 3.706 3.960 -0.022 0.000 0.255 523 G HA3 -0.241 3.706 3.960 -0.022 0.000 0.255 523 G C 0.146 175.336 174.900 0.483 0.000 1.062 523 G CA -0.204 45.132 45.100 0.394 0.000 0.815 523 G HN 0.362 nan 8.290 nan 0.000 0.497 524 C N 0.857 120.401 119.300 0.407 0.000 2.662 524 C HA 0.341 4.788 4.460 -0.022 0.000 0.420 524 C C 0.565 175.713 174.990 0.263 0.000 1.314 524 C CA -0.376 58.844 59.018 0.337 0.000 1.963 524 C CB 0.936 28.871 27.740 0.325 0.000 2.686 524 C HN 0.511 nan 8.230 nan 0.000 0.609 525 P HA -0.019 nan 4.420 nan 0.000 0.219 525 P C -0.033 177.349 177.300 0.138 0.000 1.150 525 P CA 1.384 64.589 63.100 0.175 0.000 0.814 525 P CB 0.164 31.963 31.700 0.164 0.000 0.787 526 I N -0.279 120.372 120.570 0.135 0.000 2.378 526 I HA 0.370 4.527 4.170 -0.022 0.000 0.291 526 I C 0.569 176.748 176.117 0.103 0.000 0.992 526 I CA -1.012 60.341 61.300 0.089 0.000 1.154 526 I CB 2.099 40.121 38.000 0.037 0.000 1.315 526 I HN -0.288 nan 8.210 nan 0.000 0.448 527 R N 5.744 126.294 120.500 0.082 0.000 2.393 527 R HA 0.726 5.054 4.340 -0.022 0.000 0.310 527 R C -1.452 174.878 176.300 0.051 0.000 0.968 527 R CA -0.576 55.571 56.100 0.078 0.000 0.867 527 R CB 1.076 31.429 30.300 0.089 0.000 1.124 527 R HN 0.547 nan 8.270 nan 0.000 0.450 528 I N 2.991 123.584 120.570 0.038 0.000 2.410 528 I HA 0.235 4.392 4.170 -0.022 0.000 0.286 528 I C -0.528 175.606 176.117 0.027 0.000 1.009 528 I CA -0.109 61.204 61.300 0.022 0.000 1.111 528 I CB 2.344 40.341 38.000 -0.004 0.000 1.262 528 I HN 0.559 nan 8.210 nan 0.000 0.443 529 T N 5.503 120.089 114.554 0.054 0.000 2.795 529 T HA 0.551 4.888 4.350 -0.022 0.000 0.282 529 T C -0.237 174.486 174.700 0.038 0.000 0.980 529 T CA -0.501 61.641 62.100 0.069 0.000 1.012 529 T CB 1.381 70.360 68.868 0.185 0.000 0.936 529 T HN 0.154 nan 8.240 nan 0.000 0.457 530 V N 3.329 123.252 119.914 0.015 0.000 2.357 530 V HA 0.755 4.862 4.120 -0.022 0.000 0.284 530 V C 0.670 176.775 176.094 0.018 0.000 1.018 530 V CA -0.271 62.038 62.300 0.014 0.000 0.841 530 V CB 1.109 32.935 31.823 0.005 0.000 0.991 530 V HN 1.083 nan 8.190 nan 0.000 0.437 531 G N 3.567 112.383 108.800 0.027 0.000 3.247 531 G HA2 0.390 4.337 3.960 -0.022 0.000 0.226 531 G HA3 0.390 4.337 3.960 -0.022 0.000 0.226 531 G C 0.571 175.486 174.900 0.024 0.000 1.220 531 G CA -0.160 44.957 45.100 0.029 0.000 0.875 531 G HN 0.596 nan 8.290 nan 0.000 0.606 532 K N 0.116 120.527 120.400 0.017 0.000 2.163 532 K HA -0.198 4.109 4.320 -0.022 0.000 0.210 532 K C 1.583 178.169 176.600 -0.023 0.000 1.048 532 K CA 1.660 57.947 56.287 0.000 0.000 0.928 532 K CB -0.134 32.364 32.500 -0.003 0.000 0.716 532 K HN 0.248 nan 8.250 nan 0.000 0.459 533 K N 0.376 120.768 120.400 -0.014 0.000 2.476 533 K HA 0.179 4.486 4.320 -0.022 0.000 0.196 533 K C 1.699 178.287 176.600 -0.019 0.000 1.025 533 K CA 0.290 56.562 56.287 -0.026 0.000 1.138 533 K CB 0.333 32.824 32.500 -0.014 0.000 0.860 533 K HN 0.263 nan 8.250 nan 0.000 0.515 534 A N 0.869 123.690 122.820 0.002 0.000 2.015 534 A HA -0.097 4.210 4.320 -0.022 0.000 0.219 534 A C 2.137 179.739 177.584 0.030 0.000 1.163 534 A CA 0.955 53.013 52.037 0.034 0.000 0.646 534 A CB -0.396 18.650 19.000 0.076 0.000 0.806 534 A HN 0.204 nan 8.150 nan 0.000 0.448 535 V N 0.711 120.579 119.914 -0.076 0.000 2.490 535 V HA -0.181 3.926 4.120 -0.022 0.000 0.250 535 V C 0.941 176.969 176.094 -0.110 0.000 1.061 535 V CA 2.538 64.695 62.300 -0.237 0.000 1.064 535 V CB -0.516 30.931 31.823 -0.627 0.000 0.670 535 V HN 0.601 nan 8.190 nan 0.000 0.461 536 D N 0.071 120.428 120.400 -0.073 0.000 2.336 536 D HA 0.218 4.845 4.640 -0.022 0.000 0.228 536 D C 1.482 177.775 176.300 -0.013 0.000 1.120 536 D CA 0.831 54.806 54.000 -0.041 0.000 0.839 536 D CB -0.088 40.688 40.800 -0.040 0.000 0.932 536 D HN 0.610 nan 8.370 nan 0.000 0.509 537 G N 0.878 109.679 108.800 0.002 0.000 2.305 537 G HA2 -0.268 3.679 3.960 -0.022 0.000 0.287 537 G HA3 -0.268 3.679 3.960 -0.022 0.000 0.287 537 G C 0.214 175.118 174.900 0.007 0.000 1.036 537 G CA 0.209 45.317 45.100 0.014 0.000 0.887 537 G HN 0.302 nan 8.290 nan 0.000 0.505 538 V N -0.123 119.793 119.914 0.003 0.000 2.547 538 V HA 0.795 4.902 4.120 -0.022 0.000 0.299 538 V C 0.657 176.755 176.094 0.006 0.000 1.040 538 V CA -0.249 62.051 62.300 0.001 0.000 0.913 538 V CB 1.840 33.660 31.823 -0.004 0.000 0.992 538 V HN 1.115 nan 8.190 nan 0.000 0.449 539 V N 1.091 121.008 119.914 0.006 0.000 2.962 539 V HA 0.686 4.793 4.120 -0.022 0.000 0.313 539 V C -0.579 175.521 176.094 0.010 0.000 1.099 539 V CA -0.736 61.569 62.300 0.009 0.000 0.971 539 V CB 2.064 33.889 31.823 0.003 0.000 1.028 539 V HN 0.921 nan 8.190 nan 0.000 0.430 540 E N 2.171 122.383 120.200 0.019 0.000 2.115 540 E HA 0.511 4.848 4.350 -0.022 0.000 0.282 540 E C -1.372 175.239 176.600 0.018 0.000 0.987 540 E CA -0.520 55.891 56.400 0.019 0.000 0.797 540 E CB 1.859 31.577 29.700 0.031 0.000 1.086 540 E HN 0.715 nan 8.360 nan 0.000 0.397 541 V N 5.583 125.501 119.914 0.006 0.000 2.432 541 V HA 0.256 4.363 4.120 -0.022 0.000 0.275 541 V C 0.129 176.228 176.094 0.007 0.000 1.043 541 V CA -0.311 61.991 62.300 0.004 0.000 0.925 541 V CB 1.246 33.065 31.823 -0.007 0.000 0.985 541 V HN 0.566 nan 8.190 nan 0.000 0.466 542 K N 4.880 125.289 120.400 0.016 0.000 2.502 542 K HA 0.543 4.850 4.320 -0.022 0.000 0.254 542 K C -1.426 175.190 176.600 0.028 0.000 0.947 542 K CA -0.795 55.500 56.287 0.013 0.000 0.834 542 K CB 1.375 33.877 32.500 0.003 0.000 1.112 542 K HN 0.489 nan 8.250 nan 0.000 0.427 543 I N 5.134 125.720 120.570 0.026 0.000 2.308 543 I HA 0.069 4.226 4.170 -0.022 0.000 0.293 543 I C 1.274 177.416 176.117 0.041 0.000 1.078 543 I CA -0.085 61.239 61.300 0.040 0.000 1.292 543 I CB 1.248 39.271 38.000 0.039 0.000 1.423 543 I HN 0.720 nan 8.210 nan 0.000 0.493 544 K N 7.008 127.442 120.400 0.057 0.000 2.001 544 K HA -0.250 4.057 4.320 -0.022 0.000 0.214 544 K C 2.088 178.713 176.600 0.042 0.000 1.050 544 K CA 2.312 58.631 56.287 0.053 0.000 0.934 544 K CB -0.015 32.533 32.500 0.081 0.000 0.718 544 K HN 0.640 nan 8.250 nan 0.000 0.443 545 R N -0.317 120.214 120.500 0.052 0.000 2.094 545 R HA -0.129 4.198 4.340 -0.022 0.000 0.239 545 R C 2.083 178.399 176.300 0.028 0.000 1.137 545 R CA 2.185 58.310 56.100 0.041 0.000 0.943 545 R CB -1.438 28.892 30.300 0.051 0.000 0.850 545 R HN 0.398 nan 8.270 nan 0.000 0.433 546 T N -4.052 110.518 114.554 0.028 0.000 3.057 546 T HA 0.291 4.628 4.350 -0.022 0.000 0.254 546 T C 1.565 176.272 174.700 0.011 0.000 1.094 546 T CA 0.283 62.395 62.100 0.020 0.000 1.088 546 T CB 0.430 69.312 68.868 0.023 0.000 0.934 546 T HN 0.616 nan 8.240 nan 0.000 0.497 547 G N 1.676 110.482 108.800 0.010 0.000 2.179 547 G HA2 -0.259 3.688 3.960 -0.022 0.000 0.260 547 G HA3 -0.259 3.688 3.960 -0.022 0.000 0.260 547 G C -0.229 174.670 174.900 -0.003 0.000 0.977 547 G CA 0.063 45.162 45.100 -0.001 0.000 0.641 547 G HN 0.680 nan 8.290 nan 0.000 0.533 548 E N 0.030 120.233 120.200 0.005 0.000 2.417 548 E HA 0.454 4.791 4.350 -0.022 0.000 0.261 548 E C 0.482 177.081 176.600 -0.000 0.000 1.000 548 E CA 0.584 56.986 56.400 0.004 0.000 0.919 548 E CB 0.364 30.070 29.700 0.010 0.000 0.955 548 E HN 0.468 nan 8.360 nan 0.000 0.455 549 M N 4.388 123.984 119.600 -0.006 0.000 2.213 549 M HA 0.414 4.881 4.480 -0.022 0.000 0.286 549 M C -1.115 175.180 176.300 -0.008 0.000 1.008 549 M CA -0.577 54.717 55.300 -0.011 0.000 0.937 549 M CB 1.200 33.786 32.600 -0.023 0.000 1.600 549 M HN 0.422 nan 8.290 nan 0.000 0.450 550 L N -0.732 120.489 121.223 -0.005 0.000 2.466 550 L HA 0.714 5.041 4.340 -0.022 0.000 0.258 550 L C -0.925 175.943 176.870 -0.003 0.000 0.973 550 L CA -1.005 53.832 54.840 -0.004 0.000 0.826 550 L CB 1.908 43.966 42.059 -0.001 0.000 1.372 550 L HN 0.524 nan 8.230 nan 0.000 0.409 551 E N 1.547 121.746 120.200 -0.003 0.000 2.366 551 E HA 0.535 4.872 4.350 -0.022 0.000 0.266 551 E C -1.054 175.545 176.600 -0.001 0.000 1.051 551 E CA -0.593 55.806 56.400 -0.001 0.000 0.884 551 E CB 2.389 32.088 29.700 -0.002 0.000 1.006 551 E HN 0.466 nan 8.360 nan 0.000 0.417 552 V N 3.055 122.968 119.914 -0.001 0.000 2.711 552 V HA 0.210 4.318 4.120 -0.022 0.000 0.304 552 V C -0.055 176.039 176.094 -0.001 0.000 1.097 552 V CA -1.075 61.224 62.300 -0.002 0.000 0.906 552 V CB 1.823 33.644 31.823 -0.004 0.000 1.015 552 V HN 0.587 nan 8.190 nan 0.000 0.427 553 R N 2.579 123.079 120.500 0.000 0.000 2.679 553 R HA 0.081 4.408 4.340 -0.022 0.000 0.268 553 R C 1.322 177.624 176.300 0.003 0.000 1.044 553 R CA -0.149 55.952 56.100 0.002 0.000 1.105 553 R CB 0.775 31.077 30.300 0.003 0.000 0.989 553 R HN 0.907 nan 8.270 nan 0.000 0.447 554 K N 1.635 122.038 120.400 0.005 0.000 2.209 554 K HA -0.147 4.160 4.320 -0.022 0.000 0.204 554 K C 1.137 177.743 176.600 0.009 0.000 1.048 554 K CA 1.277 57.568 56.287 0.006 0.000 0.940 554 K CB 0.075 32.581 32.500 0.010 0.000 0.729 554 K HN 0.480 nan 8.250 nan 0.000 0.451 555 E N 1.726 121.933 120.200 0.011 0.000 2.153 555 E HA -0.167 4.170 4.350 -0.022 0.000 0.194 555 E C 1.487 178.095 176.600 0.014 0.000 0.988 555 E CA 1.010 57.418 56.400 0.013 0.000 0.811 555 E CB -0.191 29.516 29.700 0.012 0.000 0.746 555 E HN 0.490 nan 8.360 nan 0.000 0.466 556 E N 0.335 120.542 120.200 0.011 0.000 2.479 556 E HA 0.014 4.351 4.350 -0.022 0.000 0.193 556 E C 1.786 178.392 176.600 0.011 0.000 1.049 556 E CA -0.160 56.247 56.400 0.012 0.000 0.870 556 E CB 0.156 29.861 29.700 0.008 0.000 0.944 556 E HN 0.109 nan 8.360 nan 0.000 0.492 557 L N 1.499 122.726 121.223 0.007 0.000 2.023 557 L HA -0.091 4.236 4.340 -0.022 0.000 0.205 557 L C 2.231 179.100 176.870 -0.001 0.000 1.073 557 L CA 1.884 56.720 54.840 -0.006 0.000 0.745 557 L CB -0.441 41.607 42.059 -0.018 0.000 0.900 557 L HN 0.030 nan 8.230 nan 0.000 0.435 558 E N -0.683 119.532 120.200 0.025 0.000 2.038 558 E HA -0.248 4.089 4.350 -0.022 0.000 0.195 558 E C 2.111 178.760 176.600 0.082 0.000 1.000 558 E CA 1.871 58.315 56.400 0.073 0.000 0.803 558 E CB -0.079 29.677 29.700 0.093 0.000 0.750 558 E HN 0.698 nan 8.360 nan 0.000 0.448 559 S N -0.278 115.455 115.700 0.056 0.000 2.383 559 S HA -0.162 4.295 4.470 -0.022 0.000 0.229 559 S C 2.100 176.727 174.600 0.045 0.000 1.030 559 S CA 1.631 59.861 58.200 0.050 0.000 1.002 559 S CB -0.722 62.499 63.200 0.035 0.000 0.829 559 S HN 0.211 nan 8.310 nan 0.000 0.467 560 T N 3.103 117.676 114.554 0.031 0.000 2.708 560 T HA 0.091 4.428 4.350 -0.022 0.000 0.266 560 T C 1.752 176.470 174.700 0.029 0.000 1.037 560 T CA 1.395 63.508 62.100 0.022 0.000 1.146 560 T CB -0.542 68.331 68.868 0.008 0.000 0.865 560 T HN 0.283 nan 8.240 nan 0.000 0.435 561 L N 0.921 122.158 121.223 0.024 0.000 2.046 561 L HA -0.104 4.223 4.340 -0.022 0.000 0.208 561 L C 2.909 179.850 176.870 0.118 0.000 1.077 561 L CA 1.217 56.076 54.840 0.033 0.000 0.747 561 L CB -0.642 41.368 42.059 -0.082 0.000 0.896 561 L HN 0.311 nan 8.230 nan 0.000 0.432 562 S N 0.355 116.140 115.700 0.142 0.000 2.370 562 S HA -0.190 4.267 4.470 -0.022 0.000 0.226 562 S C 1.927 176.577 174.600 0.084 0.000 1.033 562 S CA 1.364 59.643 58.200 0.132 0.000 1.011 562 S CB -0.253 63.010 63.200 0.104 0.000 0.852 562 S HN 0.313 nan 8.310 nan 0.000 0.457 563 I N 0.895 121.502 120.570 0.063 0.000 2.286 563 I HA -0.062 4.095 4.170 -0.022 0.000 0.245 563 I C 2.131 178.276 176.117 0.046 0.000 1.104 563 I CA 0.914 62.241 61.300 0.046 0.000 1.397 563 I CB -0.278 37.743 38.000 0.034 0.000 1.072 563 I HN 0.261 nan 8.210 nan 0.000 0.417 564 L N -0.037 121.215 121.223 0.048 0.000 2.456 564 L HA -0.075 4.252 4.340 -0.022 0.000 0.224 564 L C 1.029 177.931 176.870 0.053 0.000 1.148 564 L CA 0.492 55.358 54.840 0.043 0.000 0.825 564 L CB -0.187 41.893 42.059 0.035 0.000 0.937 564 L HN 0.251 nan 8.230 nan 0.000 0.450 565 M N 0.000 119.641 119.600 0.069 0.000 2.572 565 M HA 0.000 4.467 4.480 -0.022 0.000 0.227 565 M CA 0.000 55.346 55.300 0.077 0.000 0.988 565 M CB 0.000 32.669 32.600 0.116 0.000 1.302 565 M HN 0.000 nan 8.290 nan 0.000 0.411