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 1qs1_1_D DATA FIRST_RESID 3060 DATA SEQUENCE TDKVEDFKED KEKAKEWGKE KEKEWKLTAT EKGKMNNFLD NKNDIKTNYK DATA SEQUENCE EITFSMAGSF EDEIKDLKEI DKMFDKTNLS NSIITYKNVE PTTIGFNKSL DATA SEQUENCE TEGNTINSDA MAQFKEQFLD RDIKFDSYLD THLTAQQVSS KERVILKVTV DATA SEQUENCE PSGKGSTTPT KAGVILNNSE YKMLIDNGYM VHVDKVSKVV KKGVECLQIE DATA SEQUENCE GTLKKSLDFK NDINAEAHSW GMKNYEEWAK DLTDSQREAL DGYARQDYKE DATA SEQUENCE INNYLRNQGG SGNEKLDAQI KNISDALGKK PIPENITVYR WCGMPEFGYQ DATA SEQUENCE ISDPLPSLKD FEEQFLNTIK EDKGYMSTSL SSERLAAFGS RKIILRLQVP DATA SEQUENCE KGSTGAYLSA IGGFASEKEI LLDKDSKYHI DKVTEVIIKG VKRYVVDATL DATA SEQUENCE LT 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 3060 T HA 0.000 nan 4.350 nan 0.000 0.228 3060 T C 0.000 174.688 174.700 -0.020 0.000 1.109 3060 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 3060 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 3061 D N 2.180 122.568 120.400 -0.019 0.000 2.474 3061 D HA 0.258 4.897 4.640 -0.001 0.000 0.232 3061 D C 0.125 176.409 176.300 -0.026 0.000 1.177 3061 D CA 0.454 54.443 54.000 -0.019 0.000 0.876 3061 D CB 0.427 41.216 40.800 -0.018 0.000 1.208 3061 D HN 0.415 nan 8.370 nan 0.000 0.464 3062 K N 1.188 121.575 120.400 -0.021 0.000 2.383 3062 K HA 0.307 4.627 4.320 -0.001 0.000 0.286 3062 K C -1.468 175.110 176.600 -0.037 0.000 1.051 3062 K CA -0.068 56.203 56.287 -0.027 0.000 0.974 3062 K CB 0.168 32.661 32.500 -0.012 0.000 0.968 3062 K HN 0.188 nan 8.250 nan 0.000 0.475 3063 V N 4.055 123.930 119.914 -0.065 0.000 2.888 3063 V HA 0.311 4.431 4.120 -0.001 0.000 0.309 3063 V C -0.575 175.420 176.094 -0.166 0.000 1.114 3063 V CA -1.078 61.166 62.300 -0.095 0.000 0.940 3063 V CB 2.002 33.769 31.823 -0.094 0.000 1.021 3063 V HN 0.710 nan 8.190 nan 0.000 0.426 3064 E N 2.435 122.491 120.200 -0.240 0.000 2.313 3064 E HA 0.514 4.863 4.350 -0.001 0.000 0.272 3064 E C -1.071 175.236 176.600 -0.489 0.000 1.038 3064 E CA -0.240 55.882 56.400 -0.462 0.000 0.863 3064 E CB 1.812 31.108 29.700 -0.673 0.000 1.060 3064 E HN 0.725 nan 8.360 nan 0.000 0.402 3065 D N 1.816 121.850 120.400 -0.611 0.000 2.354 3065 D HA 0.123 4.762 4.640 -0.001 0.000 0.230 3065 D C -0.562 175.497 176.300 -0.402 0.000 1.361 3065 D CA -0.410 53.374 54.000 -0.360 0.000 0.992 3065 D CB -0.219 40.482 40.800 -0.164 0.000 1.409 3065 D HN 0.190 nan 8.370 nan 0.000 0.573 3066 F N 2.803 122.715 119.950 -0.063 0.000 2.780 3066 F HA 0.159 4.685 4.527 -0.001 0.000 0.299 3066 F C 1.988 177.758 175.800 -0.050 0.000 1.146 3066 F CA 0.074 58.035 58.000 -0.066 0.000 1.428 3066 F CB -0.006 38.940 39.000 -0.092 0.000 1.115 3066 F HN 0.276 nan 8.300 nan 0.000 0.583 3067 K N 0.177 120.639 120.400 0.104 0.000 3.860 3067 K HA -0.367 3.952 4.320 -0.001 0.000 0.215 3067 K C 0.806 177.312 176.600 -0.156 0.000 0.729 3067 K CA 2.282 58.560 56.287 -0.016 0.000 0.634 3067 K CB -1.074 31.432 32.500 0.009 0.000 0.774 3067 K HN 0.299 nan 8.250 nan 0.000 0.793 3068 E N 0.901 121.053 120.200 -0.080 0.000 2.603 3068 E HA 0.053 4.402 4.350 -0.001 0.000 0.211 3068 E C -0.737 175.840 176.600 -0.038 0.000 0.995 3068 E CA -0.134 56.208 56.400 -0.097 0.000 0.990 3068 E CB 0.513 30.158 29.700 -0.092 0.000 1.036 3068 E HN 0.225 nan 8.360 nan 0.000 0.475 3069 D N 1.809 122.219 120.400 0.017 0.000 2.483 3069 D HA 0.040 4.679 4.640 -0.001 0.000 0.220 3069 D C 0.716 177.015 176.300 -0.002 0.000 1.173 3069 D CA 0.145 54.164 54.000 0.032 0.000 0.964 3069 D CB 0.488 41.343 40.800 0.093 0.000 1.046 3069 D HN -0.007 nan 8.370 nan 0.000 0.517 3070 K N 1.799 122.183 120.400 -0.027 0.000 2.097 3070 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 3070 K C 1.356 177.922 176.600 -0.058 0.000 1.049 3070 K CA 1.068 57.330 56.287 -0.042 0.000 0.933 3070 K CB 0.368 32.854 32.500 -0.023 0.000 0.717 3070 K HN 0.244 nan 8.250 nan 0.000 0.442 3071 E N 1.003 121.180 120.200 -0.038 0.000 2.072 3071 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 3071 E C 1.831 178.387 176.600 -0.073 0.000 0.985 3071 E CA 0.979 57.358 56.400 -0.035 0.000 0.801 3071 E CB 0.012 29.706 29.700 -0.011 0.000 0.750 3071 E HN 0.001 nan 8.360 nan 0.000 0.452 3072 K N 0.547 120.902 120.400 -0.075 0.000 2.097 3072 K HA 0.063 4.383 4.320 -0.001 0.000 0.205 3072 K C 1.903 178.210 176.600 -0.489 0.000 1.050 3072 K CA 1.185 57.417 56.287 -0.092 0.000 0.938 3072 K CB -0.308 32.270 32.500 0.130 0.000 0.718 3072 K HN 0.137 nan 8.250 nan 0.000 0.442 3073 A N 1.067 123.460 122.820 -0.711 0.000 1.930 3073 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 3073 A C 2.156 179.490 177.584 -0.417 0.000 1.175 3073 A CA 1.928 53.328 52.037 -1.063 0.000 0.627 3073 A CB -0.374 18.284 19.000 -0.569 0.000 0.815 3073 A HN 0.381 nan 8.150 nan 0.000 0.443 3074 K N -0.398 119.882 120.400 -0.201 0.000 2.097 3074 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 3074 K C 1.725 178.197 176.600 -0.213 0.000 1.050 3074 K CA 1.473 57.705 56.287 -0.091 0.000 0.938 3074 K CB -0.050 32.470 32.500 0.035 0.000 0.718 3074 K HN 0.342 nan 8.250 nan 0.000 0.442 3075 E N -0.192 119.916 120.200 -0.153 0.000 2.106 3075 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 3075 E C 1.603 178.134 176.600 -0.115 0.000 0.984 3075 E CA 1.013 57.340 56.400 -0.122 0.000 0.806 3075 E CB -0.365 29.308 29.700 -0.046 0.000 0.750 3075 E HN 0.502 nan 8.360 nan 0.000 0.458 3076 W N 1.675 122.806 121.300 -0.282 0.000 2.381 3076 W HA -0.075 4.584 4.660 -0.001 0.000 0.301 3076 W C 2.297 178.675 176.519 -0.236 0.000 1.205 3076 W CA 2.242 59.480 57.345 -0.180 0.000 1.285 3076 W CB -0.542 28.839 29.460 -0.132 0.000 1.133 3076 W HN 0.103 nan 8.180 nan 0.000 0.521 3077 G N 0.335 109.102 108.800 -0.054 0.000 2.418 3077 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.217 3077 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.217 3077 G C 1.517 175.925 174.900 -0.821 0.000 1.158 3077 G CA 1.206 46.122 45.100 -0.307 0.000 0.771 3077 G HN 0.301 nan 8.290 nan 0.000 0.545 3078 K N 0.425 120.205 120.400 -1.034 0.000 2.103 3078 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 3078 K C 2.396 178.781 176.600 -0.358 0.000 1.048 3078 K CA 1.521 57.354 56.287 -0.757 0.000 0.930 3078 K CB -0.115 32.121 32.500 -0.439 0.000 0.716 3078 K HN 0.446 nan 8.250 nan 0.000 0.444 3079 E N 0.068 120.057 120.200 -0.352 0.000 2.046 3079 E HA -0.158 4.191 4.350 -0.001 0.000 0.190 3079 E C 1.923 178.335 176.600 -0.314 0.000 0.982 3079 E CA 1.101 57.329 56.400 -0.288 0.000 0.800 3079 E CB 0.100 29.622 29.700 -0.298 0.000 0.756 3079 E HN 0.092 nan 8.360 nan 0.000 0.449 3080 K N 1.050 121.164 120.400 -0.476 0.000 2.211 3080 K HA -0.111 4.209 4.320 -0.001 0.000 0.203 3080 K C 1.903 178.403 176.600 -0.167 0.000 1.050 3080 K CA 0.673 56.704 56.287 -0.427 0.000 0.945 3080 K CB -0.046 32.002 32.500 -0.754 0.000 0.732 3080 K HN 0.033 nan 8.250 nan 0.000 0.451 3081 E N 1.519 121.664 120.200 -0.092 0.000 2.118 3081 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 3081 E C 1.094 177.731 176.600 0.061 0.000 0.992 3081 E CA 1.321 57.770 56.400 0.081 0.000 0.804 3081 E CB 0.137 29.965 29.700 0.213 0.000 0.741 3081 E HN 0.287 nan 8.360 nan 0.000 0.458 3082 K N 0.134 120.530 120.400 -0.007 0.000 2.365 3082 K HA -0.061 4.258 4.320 -0.001 0.000 0.199 3082 K C 1.932 178.538 176.600 0.010 0.000 1.045 3082 K CA 0.845 57.130 56.287 -0.004 0.000 0.962 3082 K CB 0.042 32.521 32.500 -0.035 0.000 0.759 3082 K HN 0.195 nan 8.250 nan 0.000 0.469 3083 E N -0.211 119.989 120.200 -0.001 0.000 2.358 3083 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 3083 E C 1.395 178.051 176.600 0.093 0.000 1.010 3083 E CA 0.244 56.648 56.400 0.007 0.000 0.856 3083 E CB 0.046 29.711 29.700 -0.059 0.000 0.795 3083 E HN 0.385 nan 8.360 nan 0.000 0.504 3084 W N 1.688 122.939 121.300 -0.081 0.000 2.436 3084 W HA -0.035 4.625 4.660 -0.001 0.000 0.284 3084 W C 0.263 176.736 176.519 -0.077 0.000 1.225 3084 W CA 1.027 58.320 57.345 -0.086 0.000 1.271 3084 W CB 0.236 29.632 29.460 -0.108 0.000 1.114 3084 W HN -0.124 nan 8.180 nan 0.000 0.559 3085 K N -0.064 120.427 120.400 0.152 0.000 3.125 3085 K HA -0.223 4.096 4.320 -0.001 0.000 0.268 3085 K C -0.027 176.538 176.600 -0.057 0.000 1.078 3085 K CA 0.246 56.554 56.287 0.036 0.000 0.775 3085 K CB -2.060 30.471 32.500 0.052 0.000 1.253 3085 K HN 0.113 nan 8.250 nan 0.000 0.486 3086 L N 1.056 122.160 121.223 -0.199 0.000 2.417 3086 L HA 0.147 4.486 4.340 -0.001 0.000 0.268 3086 L C 1.604 178.360 176.870 -0.191 0.000 1.158 3086 L CA -0.149 54.501 54.840 -0.317 0.000 0.819 3086 L CB 0.635 42.344 42.059 -0.583 0.000 1.112 3086 L HN 0.253 nan 8.230 nan 0.000 0.458 3087 T N -0.912 113.546 114.554 -0.161 0.000 2.788 3087 T HA 0.301 4.650 4.350 -0.001 0.000 0.287 3087 T C 1.158 175.786 174.700 -0.120 0.000 1.007 3087 T CA -0.157 61.877 62.100 -0.110 0.000 1.005 3087 T CB 1.340 70.158 68.868 -0.083 0.000 1.012 3087 T HN 0.646 nan 8.240 nan 0.000 0.530 3088 A N 0.824 123.591 122.820 -0.088 0.000 1.933 3088 A HA -0.010 4.309 4.320 -0.001 0.000 0.218 3088 A C 2.484 180.016 177.584 -0.087 0.000 1.175 3088 A CA 2.036 54.023 52.037 -0.083 0.000 0.628 3088 A CB -1.728 17.237 19.000 -0.058 0.000 0.814 3088 A HN 0.922 nan 8.150 nan 0.000 0.444 3089 T N -0.028 114.480 114.554 -0.077 0.000 2.777 3089 T HA -0.126 4.223 4.350 -0.001 0.000 0.266 3089 T C 1.761 176.404 174.700 -0.095 0.000 1.040 3089 T CA 1.623 63.681 62.100 -0.070 0.000 1.141 3089 T CB -0.237 68.600 68.868 -0.053 0.000 0.868 3089 T HN 0.663 nan 8.240 nan 0.000 0.444 3090 E N 1.041 121.163 120.200 -0.129 0.000 2.051 3090 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 3090 E C 2.351 178.817 176.600 -0.223 0.000 0.991 3090 E CA 0.954 57.245 56.400 -0.182 0.000 0.799 3090 E CB -0.089 29.468 29.700 -0.238 0.000 0.748 3090 E HN 0.433 nan 8.360 nan 0.000 0.449 3091 K N 0.224 120.486 120.400 -0.229 0.000 2.063 3091 K HA -0.142 4.178 4.320 -0.001 0.000 0.208 3091 K C 2.253 178.762 176.600 -0.152 0.000 1.048 3091 K CA 1.192 57.343 56.287 -0.227 0.000 0.928 3091 K CB -0.350 32.037 32.500 -0.188 0.000 0.713 3091 K HN 0.170 nan 8.250 nan 0.000 0.442 3092 G N 1.814 110.547 108.800 -0.112 0.000 2.446 3092 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.217 3092 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.217 3092 G C 1.295 176.163 174.900 -0.054 0.000 1.168 3092 G CA 0.848 45.905 45.100 -0.072 0.000 0.771 3092 G HN 0.238 nan 8.290 nan 0.000 0.551 3093 K N -0.818 119.545 120.400 -0.061 0.000 2.097 3093 K HA 0.026 4.346 4.320 -0.001 0.000 0.205 3093 K C 2.417 179.007 176.600 -0.017 0.000 1.050 3093 K CA 1.246 57.516 56.287 -0.028 0.000 0.938 3093 K CB -0.197 32.281 32.500 -0.038 0.000 0.718 3093 K HN 0.269 nan 8.250 nan 0.000 0.442 3094 M N 1.645 121.190 119.600 -0.092 0.000 2.132 3094 M HA -0.100 4.380 4.480 -0.001 0.000 0.263 3094 M C 1.398 177.699 176.300 0.002 0.000 1.065 3094 M CA 1.594 56.838 55.300 -0.093 0.000 1.122 3094 M CB -0.181 32.270 32.600 -0.247 0.000 1.365 3094 M HN 0.039 nan 8.290 nan 0.000 0.411 3095 N N 0.183 118.861 118.700 -0.037 0.000 2.244 3095 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 3095 N C 1.338 176.854 175.510 0.011 0.000 1.016 3095 N CA 1.389 54.428 53.050 -0.019 0.000 0.866 3095 N CB -0.592 37.865 38.487 -0.050 0.000 0.980 3095 N HN 0.613 nan 8.380 nan 0.000 0.430 3096 N N 0.045 118.760 118.700 0.025 0.000 2.166 3096 N HA -0.134 4.606 4.740 -0.001 0.000 0.186 3096 N C 1.563 177.110 175.510 0.061 0.000 1.019 3096 N CA 0.605 53.676 53.050 0.035 0.000 0.856 3096 N CB -0.145 38.369 38.487 0.044 0.000 0.993 3096 N HN 0.126 nan 8.380 nan 0.000 0.426 3097 F N 1.918 121.853 119.950 -0.025 0.000 2.084 3097 F HA -0.029 4.498 4.527 -0.001 0.000 0.296 3097 F C 1.894 177.686 175.800 -0.012 0.000 1.111 3097 F CA 1.094 59.087 58.000 -0.012 0.000 1.224 3097 F CB -0.311 38.670 39.000 -0.031 0.000 0.991 3097 F HN -0.079 nan 8.300 nan 0.000 0.471 3098 L N -0.016 121.229 121.223 0.037 0.000 2.127 3098 L HA -0.211 4.128 4.340 -0.001 0.000 0.211 3098 L C 1.254 178.058 176.870 -0.109 0.000 1.089 3098 L CA 1.307 56.119 54.840 -0.047 0.000 0.757 3098 L CB -0.724 41.361 42.059 0.044 0.000 0.899 3098 L HN 0.121 nan 8.230 nan 0.000 0.434 3099 D N -0.525 119.827 120.400 -0.080 0.000 2.328 3099 D HA -0.037 4.603 4.640 -0.001 0.000 0.226 3099 D C 0.473 176.721 176.300 -0.086 0.000 1.066 3099 D CA 0.145 54.105 54.000 -0.066 0.000 0.861 3099 D CB -0.218 40.560 40.800 -0.036 0.000 0.912 3099 D HN 0.171 nan 8.370 nan 0.000 0.521 3100 N N 1.236 119.841 118.700 -0.158 0.000 2.740 3100 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 3100 N C -0.310 175.161 175.510 -0.064 0.000 1.062 3100 N CA 0.332 53.291 53.050 -0.152 0.000 0.704 3100 N CB -1.090 37.326 38.487 -0.119 0.000 0.968 3100 N HN 0.228 nan 8.380 nan 0.000 0.547 3101 K N 1.006 121.385 120.400 -0.036 0.000 2.451 3101 K HA 0.011 4.331 4.320 -0.001 0.000 0.280 3101 K C 0.227 176.842 176.600 0.025 0.000 1.020 3101 K CA 0.240 56.528 56.287 0.002 0.000 1.008 3101 K CB 0.221 32.731 32.500 0.017 0.000 0.917 3101 K HN 0.371 nan 8.250 nan 0.000 0.478 3102 N N 3.717 122.436 118.700 0.032 0.000 2.725 3102 N HA -0.210 4.529 4.740 -0.001 0.000 0.249 3102 N C -0.998 174.552 175.510 0.066 0.000 1.103 3102 N CA 1.433 54.515 53.050 0.053 0.000 0.707 3102 N CB -0.996 37.533 38.487 0.071 0.000 1.043 3102 N HN 0.879 nan 8.380 nan 0.000 0.553 3103 D N -1.497 118.925 120.400 0.037 0.000 2.983 3103 D HA -0.238 4.401 4.640 -0.001 0.000 0.225 3103 D C 1.137 177.462 176.300 0.042 0.000 1.174 3103 D CA 1.037 55.057 54.000 0.035 0.000 0.831 3103 D CB -1.240 39.598 40.800 0.064 0.000 1.104 3103 D HN 0.633 nan 8.370 nan 0.000 0.421 3104 I N 0.156 120.751 120.570 0.042 0.000 2.361 3104 I HA -0.239 3.931 4.170 -0.001 0.000 0.251 3104 I C 2.334 178.478 176.117 0.045 0.000 1.133 3104 I CA 1.506 62.865 61.300 0.097 0.000 1.413 3104 I CB 0.070 38.181 38.000 0.185 0.000 1.073 3104 I HN 0.008 nan 8.210 nan 0.000 0.424 3105 K N -0.191 120.092 120.400 -0.195 0.000 2.076 3105 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 3105 K C 1.910 178.481 176.600 -0.047 0.000 1.051 3105 K CA 1.711 57.793 56.287 -0.341 0.000 0.949 3105 K CB -0.012 32.153 32.500 -0.557 0.000 0.726 3105 K HN 0.243 nan 8.250 nan 0.000 0.443 3106 T N 0.999 115.539 114.554 -0.024 0.000 2.788 3106 T HA -0.077 4.272 4.350 -0.001 0.000 0.268 3106 T C 1.191 175.924 174.700 0.054 0.000 1.044 3106 T CA 1.615 63.731 62.100 0.026 0.000 1.139 3106 T CB -0.245 68.638 68.868 0.025 0.000 0.867 3106 T HN 0.415 nan 8.240 nan 0.000 0.454 3107 N N -0.278 118.446 118.700 0.039 0.000 2.398 3107 N HA 0.077 4.817 4.740 -0.001 0.000 0.188 3107 N C 1.230 176.686 175.510 -0.090 0.000 1.122 3107 N CA -0.139 52.885 53.050 -0.043 0.000 0.866 3107 N CB -0.029 38.391 38.487 -0.111 0.000 0.970 3107 N HN 0.314 nan 8.380 nan 0.000 0.462 3108 Y N 2.483 122.758 120.300 -0.041 0.000 2.081 3108 Y HA -0.295 4.255 4.550 -0.001 0.000 0.280 3108 Y C 2.361 178.252 175.900 -0.014 0.000 1.163 3108 Y CA 1.712 59.824 58.100 0.020 0.000 1.135 3108 Y CB -0.081 38.503 38.460 0.207 0.000 0.970 3108 Y HN -0.122 nan 8.280 nan 0.000 0.498 3109 K N 0.247 120.667 120.400 0.033 0.000 2.032 3109 K HA -0.300 4.020 4.320 -0.001 0.000 0.209 3109 K C 2.275 178.891 176.600 0.027 0.000 1.048 3109 K CA 2.007 58.306 56.287 0.020 0.000 0.927 3109 K CB -0.372 32.227 32.500 0.165 0.000 0.712 3109 K HN 0.573 nan 8.250 nan 0.000 0.441 3110 E N 0.633 120.833 120.200 0.000 0.000 2.077 3110 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 3110 E C 2.002 178.543 176.600 -0.098 0.000 0.989 3110 E CA 1.409 57.825 56.400 0.027 0.000 0.800 3110 E CB -0.139 29.567 29.700 0.011 0.000 0.746 3110 E HN 0.379 nan 8.360 nan 0.000 0.452 3111 I N 1.429 121.762 120.570 -0.395 0.000 2.151 3111 I HA -0.300 3.870 4.170 -0.001 0.000 0.243 3111 I C 2.734 178.673 176.117 -0.296 0.000 1.080 3111 I CA 1.870 62.895 61.300 -0.458 0.000 1.339 3111 I CB -0.669 37.009 38.000 -0.536 0.000 1.039 3111 I HN 0.353 nan 8.210 nan 0.000 0.409 3112 T N -1.941 112.328 114.554 -0.474 0.000 3.007 3112 T HA -0.117 4.233 4.350 -0.001 0.000 0.270 3112 T C 1.032 175.385 174.700 -0.579 0.000 1.107 3112 T CA 0.969 62.715 62.100 -0.589 0.000 1.118 3112 T CB -0.516 67.838 68.868 -0.857 0.000 0.889 3112 T HN 0.277 nan 8.240 nan 0.000 0.506 3113 F N 1.442 121.354 119.950 -0.063 0.000 2.708 3113 F HA 0.479 5.005 4.527 -0.001 0.000 0.300 3113 F C 0.913 176.852 175.800 0.233 0.000 1.118 3113 F CA -0.918 57.161 58.000 0.131 0.000 1.307 3113 F CB 0.523 39.585 39.000 0.103 0.000 0.986 3113 F HN 0.039 nan 8.300 nan 0.000 0.522 3114 S N 0.798 116.631 115.700 0.221 0.000 2.693 3114 S HA 0.441 4.911 4.470 -0.001 0.000 0.276 3114 S C -0.141 174.525 174.600 0.109 0.000 1.192 3114 S CA -0.659 57.663 58.200 0.202 0.000 0.994 3114 S CB 1.479 64.827 63.200 0.246 0.000 1.012 3114 S HN 0.275 nan 8.310 nan 0.000 0.550 3115 M N 2.067 121.706 119.600 0.065 0.000 2.250 3115 M HA 0.503 4.982 4.480 -0.001 0.000 0.344 3115 M C 0.027 176.331 176.300 0.007 0.000 1.150 3115 M CA -0.651 54.639 55.300 -0.017 0.000 1.147 3115 M CB 0.618 33.183 32.600 -0.059 0.000 1.498 3115 M HN 0.717 nan 8.290 nan 0.000 0.461 3116 A N 3.030 125.836 122.820 -0.022 0.000 2.566 3116 A HA 0.397 4.716 4.320 -0.001 0.000 0.245 3116 A C 1.091 178.674 177.584 -0.001 0.000 1.056 3116 A CA 0.810 52.843 52.037 -0.007 0.000 0.757 3116 A CB -0.996 17.989 19.000 -0.025 0.000 0.979 3116 A HN 1.492 nan 8.150 nan 0.000 0.508 3117 G N 1.659 110.470 108.800 0.019 0.000 2.259 3117 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.217 3117 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.217 3117 G C 0.552 175.459 174.900 0.011 0.000 1.001 3117 G CA 0.237 45.342 45.100 0.009 0.000 0.627 3117 G HN 1.176 nan 8.290 nan 0.000 0.501 3118 S N 0.202 115.928 115.700 0.042 0.000 2.580 3118 S HA 0.554 5.023 4.470 -0.001 0.000 0.274 3118 S C 0.551 175.256 174.600 0.176 0.000 1.329 3118 S CA 0.185 58.402 58.200 0.028 0.000 1.036 3118 S CB 0.103 63.381 63.200 0.130 0.000 0.919 3118 S HN 0.998 nan 8.310 nan 0.000 0.515 3119 F N 0.146 120.113 119.950 0.027 0.000 3.004 3119 F HA -0.234 4.293 4.527 -0.001 0.000 0.264 3119 F C 1.286 177.110 175.800 0.040 0.000 0.979 3119 F CA 0.292 58.316 58.000 0.040 0.000 0.896 3119 F CB -1.988 37.043 39.000 0.051 0.000 0.813 3119 F HN 0.730 nan 8.300 nan 0.000 0.804 3120 E N 0.141 120.415 120.200 0.123 0.000 2.058 3120 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 3120 E C 1.642 178.305 176.600 0.105 0.000 0.997 3120 E CA 1.708 58.166 56.400 0.096 0.000 0.801 3120 E CB -0.086 29.642 29.700 0.048 0.000 0.746 3120 E HN 0.546 nan 8.360 nan 0.000 0.450 3121 D N 0.708 121.169 120.400 0.102 0.000 2.144 3121 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 3121 D C 1.834 178.211 176.300 0.127 0.000 0.984 3121 D CA 1.052 55.111 54.000 0.098 0.000 0.834 3121 D CB -0.199 40.651 40.800 0.084 0.000 0.955 3121 D HN 0.163 nan 8.370 nan 0.000 0.465 3122 E N 0.515 120.823 120.200 0.180 0.000 2.072 3122 E HA -0.050 4.300 4.350 -0.001 0.000 0.191 3122 E C 2.276 178.977 176.600 0.168 0.000 0.985 3122 E CA 0.331 56.848 56.400 0.195 0.000 0.801 3122 E CB -0.189 29.658 29.700 0.244 0.000 0.750 3122 E HN 0.305 nan 8.360 nan 0.000 0.452 3123 I N 0.943 121.607 120.570 0.157 0.000 2.335 3123 I HA -0.310 3.859 4.170 -0.001 0.000 0.251 3123 I C 1.997 178.175 176.117 0.101 0.000 1.129 3123 I CA 1.147 62.520 61.300 0.123 0.000 1.402 3123 I CB -0.217 37.848 38.000 0.109 0.000 1.069 3123 I HN 0.091 nan 8.210 nan 0.000 0.424 3124 K N 0.504 120.959 120.400 0.092 0.000 2.057 3124 K HA -0.216 4.103 4.320 -0.001 0.000 0.207 3124 K C 1.653 178.295 176.600 0.071 0.000 1.049 3124 K CA 1.823 58.154 56.287 0.072 0.000 0.931 3124 K CB -0.192 32.346 32.500 0.062 0.000 0.714 3124 K HN 0.230 nan 8.250 nan 0.000 0.440 3125 D N 0.770 121.221 120.400 0.084 0.000 2.117 3125 D HA -0.077 4.563 4.640 -0.001 0.000 0.198 3125 D C 1.789 178.132 176.300 0.071 0.000 0.982 3125 D CA 0.822 54.867 54.000 0.076 0.000 0.828 3125 D CB -0.015 40.847 40.800 0.104 0.000 0.967 3125 D HN 0.056 nan 8.370 nan 0.000 0.464 3126 L N 0.311 121.596 121.223 0.103 0.000 2.201 3126 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 3126 L C 2.170 179.100 176.870 0.101 0.000 1.105 3126 L CA 0.967 55.872 54.840 0.107 0.000 0.775 3126 L CB -0.240 41.925 42.059 0.177 0.000 0.913 3126 L HN -0.000 nan 8.230 nan 0.000 0.440 3127 K N -0.256 120.198 120.400 0.089 0.000 2.057 3127 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 3127 K C 2.065 178.711 176.600 0.076 0.000 1.050 3127 K CA 1.022 57.361 56.287 0.086 0.000 0.935 3127 K CB 0.002 32.546 32.500 0.073 0.000 0.715 3127 K HN 0.213 nan 8.250 nan 0.000 0.439 3128 E N 0.899 121.130 120.200 0.051 0.000 2.106 3128 E HA -0.113 4.237 4.350 -0.001 0.000 0.192 3128 E C 2.063 178.672 176.600 0.015 0.000 0.984 3128 E CA 0.902 57.319 56.400 0.027 0.000 0.806 3128 E CB -0.170 29.532 29.700 0.004 0.000 0.750 3128 E HN 0.350 nan 8.360 nan 0.000 0.458 3129 I N 1.377 121.949 120.570 0.003 0.000 2.226 3129 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 3129 I C 2.303 178.506 176.117 0.143 0.000 1.100 3129 I CA 1.418 62.699 61.300 -0.032 0.000 1.374 3129 I CB -0.249 37.661 38.000 -0.149 0.000 1.057 3129 I HN 0.032 nan 8.210 nan 0.000 0.413 3130 D N 1.288 121.806 120.400 0.197 0.000 2.123 3130 D HA -0.213 4.427 4.640 -0.001 0.000 0.196 3130 D C 2.081 178.548 176.300 0.278 0.000 0.992 3130 D CA 1.566 55.741 54.000 0.292 0.000 0.833 3130 D CB 0.040 40.960 40.800 0.201 0.000 0.954 3130 D HN 0.171 nan 8.370 nan 0.000 0.455 3131 K N -0.633 119.871 120.400 0.174 0.000 2.283 3131 K HA -0.027 4.292 4.320 -0.001 0.000 0.202 3131 K C 2.195 178.883 176.600 0.147 0.000 1.048 3131 K CA 0.743 57.117 56.287 0.146 0.000 0.948 3131 K CB -0.072 32.484 32.500 0.092 0.000 0.742 3131 K HN 0.316 nan 8.250 nan 0.000 0.458 3132 M N -0.323 119.341 119.600 0.106 0.000 2.213 3132 M HA -0.102 4.377 4.480 -0.001 0.000 0.263 3132 M C 1.288 177.718 176.300 0.217 0.000 1.062 3132 M CA 1.556 56.881 55.300 0.042 0.000 1.105 3132 M CB -0.260 32.203 32.600 -0.228 0.000 1.385 3132 M HN 0.037 nan 8.290 nan 0.000 0.417 3133 F N 0.723 120.841 119.950 0.280 0.000 2.699 3133 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 3133 F C 1.551 177.430 175.800 0.131 0.000 1.154 3133 F CA 0.714 58.851 58.000 0.229 0.000 1.457 3133 F CB -0.430 38.669 39.000 0.166 0.000 1.106 3133 F HN 0.141 nan 8.300 nan 0.000 0.585 3134 D N 0.103 120.660 120.400 0.262 0.000 2.355 3134 D HA -0.053 4.586 4.640 -0.001 0.000 0.218 3134 D C 1.546 177.927 176.300 0.134 0.000 1.004 3134 D CA 0.612 54.715 54.000 0.172 0.000 0.880 3134 D CB -0.136 40.751 40.800 0.146 0.000 0.911 3134 D HN 0.425 nan 8.370 nan 0.000 0.528 3135 K N 0.282 120.787 120.400 0.175 0.000 2.478 3135 K HA 0.110 4.430 4.320 -0.001 0.000 0.205 3135 K C 0.299 176.957 176.600 0.098 0.000 1.033 3135 K CA -0.329 56.056 56.287 0.163 0.000 1.091 3135 K CB 0.112 32.736 32.500 0.207 0.000 0.844 3135 K HN -0.108 nan 8.250 nan 0.000 0.507 3136 T N -0.283 114.200 114.554 -0.119 0.000 2.860 3136 T HA 0.113 4.463 4.350 -0.001 0.000 0.299 3136 T C 0.148 174.721 174.700 -0.212 0.000 1.045 3136 T CA -0.594 61.232 62.100 -0.455 0.000 1.071 3136 T CB 0.885 69.434 68.868 -0.532 0.000 0.985 3136 T HN 0.295 nan 8.240 nan 0.000 0.537 3137 N N 1.656 120.217 118.700 -0.231 0.000 2.884 3137 N HA 0.061 4.800 4.740 -0.001 0.000 0.211 3137 N C -1.541 173.894 175.510 -0.126 0.000 1.442 3137 N CA -0.478 52.501 53.050 -0.119 0.000 0.757 3137 N CB 0.631 39.081 38.487 -0.061 0.000 1.461 3137 N HN 0.591 nan 8.380 nan 0.000 0.557 3138 L N 2.862 124.007 121.223 -0.130 0.000 2.369 3138 L HA 0.263 4.603 4.340 -0.001 0.000 0.279 3138 L C 1.544 178.386 176.870 -0.046 0.000 1.108 3138 L CA 0.588 55.371 54.840 -0.095 0.000 0.852 3138 L CB 0.711 42.721 42.059 -0.083 0.000 1.169 3138 L HN 0.421 nan 8.230 nan 0.000 0.452 3139 S N 2.668 118.340 115.700 -0.048 0.000 2.446 3139 S HA 0.167 4.636 4.470 -0.001 0.000 0.225 3139 S C 0.444 175.068 174.600 0.040 0.000 1.016 3139 S CA 0.094 58.281 58.200 -0.022 0.000 0.943 3139 S CB -0.256 62.908 63.200 -0.060 0.000 0.786 3139 S HN 0.730 nan 8.310 nan 0.000 0.508 3140 N N 0.253 119.023 118.700 0.117 0.000 2.277 3140 N HA 0.498 5.237 4.740 -0.001 0.000 0.286 3140 N C -1.664 173.973 175.510 0.212 0.000 1.140 3140 N CA -0.478 52.690 53.050 0.196 0.000 0.799 3140 N CB 2.116 40.804 38.487 0.335 0.000 1.596 3140 N HN -0.006 nan 8.380 nan 0.000 0.473 3141 S N 0.935 116.699 115.700 0.107 0.000 2.580 3141 S HA 0.540 5.010 4.470 -0.001 0.000 0.274 3141 S C -0.266 174.334 174.600 0.000 0.000 1.329 3141 S CA -0.370 57.855 58.200 0.041 0.000 1.036 3141 S CB 0.153 63.350 63.200 -0.004 0.000 0.919 3141 S HN 0.486 nan 8.310 nan 0.000 0.515 3142 I N 1.525 122.064 120.570 -0.052 0.000 2.918 3142 I HA 0.462 4.632 4.170 -0.001 0.000 0.301 3142 I C -1.709 174.321 176.117 -0.145 0.000 1.312 3142 I CA -0.947 60.255 61.300 -0.163 0.000 1.007 3142 I CB 1.394 39.225 38.000 -0.281 0.000 1.281 3142 I HN 0.551 nan 8.210 nan 0.000 0.440 3143 I N 5.064 125.526 120.570 -0.178 0.000 2.342 3143 I HA 0.296 4.466 4.170 -0.001 0.000 0.291 3143 I C 0.160 176.164 176.117 -0.188 0.000 1.010 3143 I CA -0.124 61.054 61.300 -0.204 0.000 1.308 3143 I CB 1.615 39.472 38.000 -0.237 0.000 1.400 3143 I HN 0.601 nan 8.210 nan 0.000 0.488 3144 T N 2.568 116.993 114.554 -0.215 0.000 2.940 3144 T HA 0.637 4.986 4.350 -0.001 0.000 0.288 3144 T C -0.894 173.673 174.700 -0.222 0.000 1.045 3144 T CA -0.687 61.373 62.100 -0.066 0.000 1.018 3144 T CB 1.653 70.526 68.868 0.008 0.000 1.151 3144 T HN 0.253 nan 8.240 nan 0.000 0.529 3145 Y N -0.436 119.904 120.300 0.066 0.000 2.477 3145 Y HA 0.758 5.308 4.550 -0.000 0.000 0.347 3145 Y C 0.103 176.089 175.900 0.144 0.000 0.981 3145 Y CA -1.107 57.039 58.100 0.078 0.000 1.033 3145 Y CB 2.412 40.910 38.460 0.064 0.000 1.245 3145 Y HN 0.826 nan 8.280 nan 0.000 0.455 3146 K N 2.355 122.906 120.400 0.251 0.000 2.571 3146 K HA 0.397 4.717 4.320 -0.001 0.000 0.252 3146 K C -1.932 174.758 176.600 0.150 0.000 0.956 3146 K CA -0.671 55.754 56.287 0.231 0.000 0.822 3146 K CB 1.014 33.603 32.500 0.150 0.000 1.286 3146 K HN 0.689 nan 8.250 nan 0.000 0.439 3147 N N 2.469 121.242 118.700 0.122 0.000 2.438 3147 N HA 0.365 5.104 4.740 -0.001 0.000 0.282 3147 N C -0.718 174.841 175.510 0.082 0.000 1.037 3147 N CA -0.444 52.651 53.050 0.075 0.000 0.942 3147 N CB 1.800 40.309 38.487 0.035 0.000 1.136 3147 N HN 0.412 nan 8.380 nan 0.000 0.481 3148 V N -1.423 118.537 119.914 0.077 0.000 3.040 3148 V HA 0.561 4.681 4.120 -0.001 0.000 0.312 3148 V C -0.008 176.131 176.094 0.075 0.000 1.115 3148 V CA -1.052 61.304 62.300 0.093 0.000 0.998 3148 V CB 2.061 33.968 31.823 0.140 0.000 1.042 3148 V HN 0.472 nan 8.190 nan 0.000 0.433 3149 E N 3.696 123.947 120.200 0.086 0.000 2.354 3149 E HA 0.252 4.602 4.350 -0.001 0.000 0.269 3149 E C -1.631 175.039 176.600 0.117 0.000 1.036 3149 E CA -1.458 54.993 56.400 0.086 0.000 0.876 3149 E CB 1.503 31.252 29.700 0.081 0.000 1.009 3149 E HN 0.651 nan 8.360 nan 0.000 0.416 3150 P HA -0.261 nan 4.420 nan 0.000 0.216 3150 P C 1.345 178.797 177.300 0.253 0.000 1.153 3150 P CA 1.813 65.066 63.100 0.255 0.000 0.858 3150 P CB -0.086 31.852 31.700 0.397 0.000 0.789 3151 T N -2.770 111.889 114.554 0.176 0.000 2.962 3151 T HA -0.110 4.239 4.350 -0.001 0.000 0.270 3151 T C 1.791 176.558 174.700 0.112 0.000 1.088 3151 T CA 1.935 64.112 62.100 0.128 0.000 1.127 3151 T CB -1.758 67.156 68.868 0.077 0.000 0.883 3151 T HN 0.277 nan 8.240 nan 0.000 0.493 3152 T N 1.367 115.992 114.554 0.117 0.000 2.962 3152 T HA 0.036 4.386 4.350 -0.001 0.000 0.270 3152 T C 1.675 176.430 174.700 0.092 0.000 1.088 3152 T CA 0.899 63.067 62.100 0.114 0.000 1.127 3152 T CB -0.892 68.059 68.868 0.139 0.000 0.883 3152 T HN 0.809 nan 8.240 nan 0.000 0.493 3153 I N -2.809 117.809 120.570 0.080 0.000 3.877 3153 I HA 0.695 4.864 4.170 -0.001 0.000 0.332 3153 I C 1.256 177.453 176.117 0.133 0.000 1.525 3153 I CA -0.319 60.975 61.300 -0.010 0.000 1.146 3153 I CB -0.306 37.617 38.000 -0.129 0.000 1.137 3153 I HN 0.267 nan 8.210 nan 0.000 0.424 3154 G N 1.781 110.674 108.800 0.156 0.000 2.143 3154 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.248 3154 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.248 3154 G C -0.179 174.910 174.900 0.314 0.000 0.991 3154 G CA 0.038 45.246 45.100 0.180 0.000 0.689 3154 G HN 0.480 nan 8.290 nan 0.000 0.522 3155 F N 1.937 122.028 119.950 0.235 0.000 2.350 3155 F HA 0.555 5.082 4.527 -0.001 0.000 0.365 3155 F C 0.636 176.533 175.800 0.161 0.000 1.122 3155 F CA -1.680 56.484 58.000 0.274 0.000 1.139 3155 F CB 0.581 39.822 39.000 0.402 0.000 1.220 3155 F HN -0.009 nan 8.300 nan 0.000 0.499 3156 N N 4.636 123.140 118.700 -0.327 0.000 2.251 3156 N HA 0.074 4.813 4.740 -0.001 0.000 0.217 3156 N C -0.266 175.022 175.510 -0.370 0.000 1.124 3156 N CA -0.008 52.882 53.050 -0.267 0.000 0.843 3156 N CB 0.353 38.746 38.487 -0.156 0.000 1.024 3156 N HN 0.405 nan 8.380 nan 0.000 0.501 3157 K N -0.072 119.889 120.400 -0.733 0.000 2.211 3157 K HA 0.295 4.615 4.320 -0.001 0.000 0.237 3157 K C 0.048 176.519 176.600 -0.215 0.000 1.002 3157 K CA -0.566 55.453 56.287 -0.447 0.000 0.885 3157 K CB 1.158 33.390 32.500 -0.446 0.000 1.136 3157 K HN -0.200 nan 8.250 nan 0.000 0.448 3158 S N 0.743 116.418 115.700 -0.042 0.000 2.533 3158 S HA 0.064 4.534 4.470 -0.001 0.000 0.282 3158 S C 0.478 175.187 174.600 0.182 0.000 1.304 3158 S CA -0.251 57.984 58.200 0.058 0.000 1.063 3158 S CB 0.135 63.363 63.200 0.046 0.000 0.881 3158 S HN 0.515 nan 8.310 nan 0.000 0.493 3159 L N 5.321 126.673 121.223 0.215 0.000 2.445 3159 L HA 0.386 4.726 4.340 -0.001 0.000 0.207 3159 L C 0.964 177.899 176.870 0.109 0.000 1.053 3159 L CA 1.121 56.113 54.840 0.252 0.000 0.841 3159 L CB 0.043 42.261 42.059 0.265 0.000 1.074 3159 L HN 0.835 nan 8.230 nan 0.000 0.479 3160 T N -2.187 112.413 114.554 0.077 0.000 2.942 3160 T HA 0.594 4.943 4.350 -0.001 0.000 0.289 3160 T C -0.481 174.240 174.700 0.036 0.000 1.044 3160 T CA -0.651 61.473 62.100 0.040 0.000 1.023 3160 T CB 1.706 70.589 68.868 0.025 0.000 1.123 3160 T HN 0.210 nan 8.240 nan 0.000 0.512 3161 E N 0.943 121.157 120.200 0.024 0.000 2.914 3161 E HA 0.474 4.823 4.350 -0.001 0.000 0.246 3161 E C 0.703 177.311 176.600 0.013 0.000 1.146 3161 E CA -0.662 55.750 56.400 0.020 0.000 0.803 3161 E CB 0.715 30.427 29.700 0.020 0.000 1.409 3161 E HN 1.191 nan 8.360 nan 0.000 0.392 3162 G N 3.329 112.136 108.800 0.012 0.000 2.556 3162 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.283 3162 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.283 3162 G C 0.487 175.389 174.900 0.003 0.000 1.177 3162 G CA 0.335 45.439 45.100 0.007 0.000 0.978 3162 G HN 0.504 nan 8.290 nan 0.000 0.554 3163 N N 1.900 120.600 118.700 -0.000 0.000 2.449 3163 N HA 0.303 5.042 4.740 -0.001 0.000 0.191 3163 N C 0.734 176.239 175.510 -0.008 0.000 1.161 3163 N CA 1.347 54.394 53.050 -0.005 0.000 0.863 3163 N CB 0.298 38.781 38.487 -0.006 0.000 0.980 3163 N HN 0.951 nan 8.380 nan 0.000 0.458 3164 T N -2.583 111.969 114.554 -0.004 0.000 2.924 3164 T HA 0.549 4.899 4.350 -0.001 0.000 0.291 3164 T C -0.236 174.461 174.700 -0.006 0.000 1.045 3164 T CA -0.872 61.224 62.100 -0.007 0.000 1.015 3164 T CB 1.723 70.590 68.868 -0.002 0.000 1.103 3164 T HN -0.244 nan 8.240 nan 0.000 0.496 3165 I N 2.369 122.931 120.570 -0.013 0.000 2.359 3165 I HA 0.312 4.481 4.170 -0.001 0.000 0.294 3165 I C -0.052 176.069 176.117 0.007 0.000 0.987 3165 I CA -0.904 60.388 61.300 -0.013 0.000 1.225 3165 I CB 0.891 38.863 38.000 -0.047 0.000 1.366 3165 I HN 0.718 nan 8.210 nan 0.000 0.466 3166 N N 3.422 122.140 118.700 0.030 0.000 2.447 3166 N HA -0.003 4.736 4.740 -0.001 0.000 0.263 3166 N C 1.358 176.896 175.510 0.046 0.000 1.226 3166 N CA 0.084 53.162 53.050 0.046 0.000 0.906 3166 N CB 0.581 39.113 38.487 0.075 0.000 1.060 3166 N HN 0.592 nan 8.380 nan 0.000 0.468 3167 S N 1.346 117.069 115.700 0.037 0.000 2.383 3167 S HA -0.194 4.276 4.470 -0.001 0.000 0.229 3167 S C 1.024 175.658 174.600 0.056 0.000 1.030 3167 S CA 1.081 59.302 58.200 0.036 0.000 1.002 3167 S CB -0.043 63.173 63.200 0.028 0.000 0.829 3167 S HN 0.515 nan 8.310 nan 0.000 0.467 3168 D N 2.179 122.619 120.400 0.067 0.000 2.149 3168 D HA 0.128 4.768 4.640 -0.001 0.000 0.201 3168 D C 2.321 178.703 176.300 0.137 0.000 0.972 3168 D CA 1.235 55.287 54.000 0.086 0.000 0.835 3168 D CB -0.534 40.309 40.800 0.073 0.000 0.966 3168 D HN 0.558 nan 8.370 nan 0.000 0.476 3169 A N 1.225 124.143 122.820 0.163 0.000 1.933 3169 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 3169 A C 2.185 179.931 177.584 0.270 0.000 1.175 3169 A CA 1.303 53.515 52.037 0.292 0.000 0.628 3169 A CB -0.583 18.591 19.000 0.290 0.000 0.814 3169 A HN 0.191 nan 8.150 nan 0.000 0.444 3170 M N -0.492 119.186 119.600 0.129 0.000 2.175 3170 M HA -0.089 4.390 4.480 -0.001 0.000 0.264 3170 M C 2.202 178.580 176.300 0.130 0.000 1.063 3170 M CA 1.570 56.913 55.300 0.071 0.000 1.119 3170 M CB -0.187 32.421 32.600 0.013 0.000 1.377 3170 M HN 0.414 nan 8.290 nan 0.000 0.415 3171 A N -0.028 122.867 122.820 0.125 0.000 1.930 3171 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 3171 A C 1.904 179.581 177.584 0.155 0.000 1.175 3171 A CA 1.599 53.706 52.037 0.115 0.000 0.627 3171 A CB -0.673 18.378 19.000 0.086 0.000 0.815 3171 A HN 0.691 nan 8.150 nan 0.000 0.443 3172 Q N -1.833 118.098 119.800 0.218 0.000 2.084 3172 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 3172 Q C 1.890 178.091 176.000 0.335 0.000 0.978 3172 Q CA 1.543 57.513 55.803 0.279 0.000 0.844 3172 Q CB -0.291 28.676 28.738 0.381 0.000 0.898 3172 Q HN 0.725 nan 8.270 nan 0.000 0.426 3173 F N 1.693 121.726 119.950 0.138 0.000 2.102 3173 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 3173 F C 1.991 177.861 175.800 0.117 0.000 1.105 3173 F CA 1.515 59.481 58.000 -0.056 0.000 1.239 3173 F CB 0.122 38.839 39.000 -0.471 0.000 0.991 3173 F HN -0.130 nan 8.300 nan 0.000 0.474 3174 K N -0.090 120.466 120.400 0.260 0.000 2.057 3174 K HA -0.253 4.066 4.320 -0.001 0.000 0.207 3174 K C 2.100 178.737 176.600 0.062 0.000 1.049 3174 K CA 1.776 58.160 56.287 0.163 0.000 0.931 3174 K CB -0.410 32.166 32.500 0.127 0.000 0.714 3174 K HN 0.394 nan 8.250 nan 0.000 0.440 3175 E N 1.216 121.449 120.200 0.054 0.000 2.110 3175 E HA -0.277 4.073 4.350 -0.001 0.000 0.193 3175 E C 2.158 178.721 176.600 -0.061 0.000 0.988 3175 E CA 1.296 57.703 56.400 0.011 0.000 0.804 3175 E CB 0.124 29.844 29.700 0.033 0.000 0.745 3175 E HN 0.291 nan 8.360 nan 0.000 0.458 3176 Q N -1.226 118.493 119.800 -0.135 0.000 2.187 3176 Q HA -0.083 4.256 4.340 -0.001 0.000 0.199 3176 Q C 1.135 176.737 176.000 -0.663 0.000 0.957 3176 Q CA 1.194 56.753 55.803 -0.407 0.000 0.857 3176 Q CB 0.141 28.547 28.738 -0.554 0.000 0.929 3176 Q HN 0.318 nan 8.270 nan 0.000 0.453 3177 F N -0.614 119.174 119.950 -0.270 0.000 2.712 3177 F HA 0.212 4.739 4.527 -0.001 0.000 0.297 3177 F C 0.277 175.966 175.800 -0.185 0.000 1.114 3177 F CA -0.785 57.048 58.000 -0.278 0.000 1.305 3177 F CB 0.404 39.114 39.000 -0.483 0.000 1.086 3177 F HN 0.012 nan 8.300 nan 0.000 0.599 3178 L N 1.813 123.055 121.223 0.031 0.000 2.540 3178 L HA 0.040 4.379 4.340 -0.001 0.000 0.276 3178 L C 0.579 177.411 176.870 -0.063 0.000 1.212 3178 L CA 0.288 55.126 54.840 -0.002 0.000 0.893 3178 L CB -0.262 41.809 42.059 0.020 0.000 1.138 3178 L HN 0.288 nan 8.230 nan 0.000 0.491 3179 D N 1.985 122.312 120.400 -0.122 0.000 3.079 3179 D HA -0.206 4.433 4.640 -0.001 0.000 0.214 3179 D C 0.248 176.450 176.300 -0.163 0.000 1.145 3179 D CA 1.071 54.989 54.000 -0.137 0.000 0.958 3179 D CB -0.460 40.329 40.800 -0.018 0.000 1.117 3179 D HN 0.664 nan 8.370 nan 0.000 0.416 3180 R N 0.037 120.415 120.500 -0.203 0.000 2.875 3180 R HA 0.498 4.837 4.340 -0.001 0.000 0.251 3180 R C -0.270 175.962 176.300 -0.112 0.000 1.123 3180 R CA -0.791 55.238 56.100 -0.118 0.000 1.064 3180 R CB 1.141 31.375 30.300 -0.109 0.000 1.205 3180 R HN -0.148 nan 8.270 nan 0.000 0.503 3181 D N 1.146 121.554 120.400 0.013 0.000 2.192 3181 D HA 0.319 4.958 4.640 -0.001 0.000 0.246 3181 D C -0.308 176.020 176.300 0.048 0.000 1.042 3181 D CA -0.215 53.825 54.000 0.068 0.000 0.847 3181 D CB 1.762 42.630 40.800 0.114 0.000 1.186 3181 D HN 0.253 nan 8.370 nan 0.000 0.461 3182 I N 1.899 122.502 120.570 0.054 0.000 2.321 3182 I HA 0.113 4.283 4.170 -0.001 0.000 0.291 3182 I C 0.279 176.334 176.117 -0.104 0.000 0.998 3182 I CA -0.781 60.487 61.300 -0.053 0.000 1.227 3182 I CB 1.043 38.948 38.000 -0.159 0.000 1.368 3182 I HN -0.062 nan 8.210 nan 0.000 0.466 3183 K N 7.212 127.530 120.400 -0.136 0.000 2.234 3183 K HA 0.471 4.790 4.320 -0.001 0.000 0.277 3183 K C -1.172 175.334 176.600 -0.155 0.000 1.038 3183 K CA -0.105 56.156 56.287 -0.044 0.000 0.888 3183 K CB 0.484 32.972 32.500 -0.020 0.000 1.091 3183 K HN 0.174 nan 8.250 nan 0.000 0.467 3184 F N 1.601 121.582 119.950 0.053 0.000 2.380 3184 F HA 0.258 4.785 4.527 -0.001 0.000 0.321 3184 F C 1.324 177.166 175.800 0.070 0.000 1.103 3184 F CA -0.355 57.684 58.000 0.065 0.000 1.067 3184 F CB 1.061 40.097 39.000 0.059 0.000 1.265 3184 F HN 0.589 nan 8.300 nan 0.000 0.517 3185 D N -0.626 119.945 120.400 0.285 0.000 2.333 3185 D HA 0.032 4.671 4.640 -0.001 0.000 0.208 3185 D C 0.528 177.004 176.300 0.294 0.000 0.984 3185 D CA 0.733 54.881 54.000 0.247 0.000 0.873 3185 D CB 0.681 41.625 40.800 0.240 0.000 0.935 3185 D HN 0.302 nan 8.370 nan 0.000 0.521 3186 S N -1.508 114.332 115.700 0.233 0.000 2.705 3186 S HA 0.333 4.803 4.470 -0.001 0.000 0.280 3186 S C -1.348 173.212 174.600 -0.067 0.000 1.174 3186 S CA -0.736 57.505 58.200 0.068 0.000 0.823 3186 S CB 0.340 63.621 63.200 0.135 0.000 1.162 3186 S HN -0.076 nan 8.310 nan 0.000 0.487 3187 Y N 1.129 121.386 120.300 -0.071 0.000 2.811 3187 Y HA 0.159 4.709 4.550 -0.001 0.000 0.334 3187 Y C 0.404 176.282 175.900 -0.037 0.000 1.247 3187 Y CA 0.223 58.277 58.100 -0.077 0.000 1.526 3187 Y CB 0.275 38.698 38.460 -0.062 0.000 1.284 3187 Y HN 0.373 nan 8.280 nan 0.000 0.586 3188 L N 6.301 127.549 121.223 0.043 0.000 2.268 3188 L HA 0.235 4.574 4.340 -0.001 0.000 0.289 3188 L C -0.708 176.154 176.870 -0.012 0.000 1.064 3188 L CA -0.755 54.018 54.840 -0.112 0.000 0.824 3188 L CB -0.095 41.765 42.059 -0.332 0.000 1.202 3188 L HN 0.552 nan 8.230 nan 0.000 0.433 3189 D N 2.992 123.394 120.400 0.004 0.000 2.373 3189 D HA 0.341 4.980 4.640 -0.001 0.000 0.227 3189 D C -0.141 176.102 176.300 -0.096 0.000 1.091 3189 D CA -0.401 53.596 54.000 -0.006 0.000 0.840 3189 D CB 1.119 41.932 40.800 0.021 0.000 1.060 3189 D HN 0.492 nan 8.370 nan 0.000 0.502 3190 T N -0.727 113.761 114.554 -0.110 0.000 2.940 3190 T HA 0.410 4.759 4.350 -0.001 0.000 0.288 3190 T C -0.012 174.567 174.700 -0.202 0.000 1.045 3190 T CA -0.852 61.180 62.100 -0.112 0.000 1.018 3190 T CB 1.815 70.673 68.868 -0.016 0.000 1.151 3190 T HN 0.398 nan 8.240 nan 0.000 0.529 3191 H N 0.438 119.582 119.070 0.123 0.000 2.525 3191 H HA 0.409 4.965 4.556 -0.001 0.000 0.340 3191 H C 0.644 176.085 175.328 0.189 0.000 1.168 3191 H CA -0.808 55.322 56.048 0.137 0.000 1.247 3191 H CB 1.861 31.688 29.762 0.107 0.000 1.568 3191 H HN 0.483 nan 8.280 nan 0.000 0.536 3192 L N 0.627 122.016 121.223 0.277 0.000 2.558 3192 L HA 0.046 4.385 4.340 -0.001 0.000 0.225 3192 L C 0.589 177.601 176.870 0.237 0.000 1.128 3192 L CA 0.424 55.406 54.840 0.237 0.000 0.868 3192 L CB -0.016 42.136 42.059 0.154 0.000 1.006 3192 L HN 0.582 nan 8.230 nan 0.000 0.454 3193 T N -3.542 111.085 114.554 0.122 0.000 2.883 3193 T HA 0.694 5.043 4.350 -0.001 0.000 0.301 3193 T C -0.251 174.142 174.700 -0.513 0.000 1.158 3193 T CA -0.682 61.312 62.100 -0.176 0.000 1.007 3193 T CB 2.159 70.960 68.868 -0.112 0.000 1.186 3193 T HN -0.010 nan 8.240 nan 0.000 0.499 3194 A N 2.158 124.365 122.820 -1.022 0.000 2.540 3194 A HA 0.449 4.769 4.320 -0.001 0.000 0.239 3194 A C 0.375 177.753 177.584 -0.344 0.000 1.061 3194 A CA -0.157 51.370 52.037 -0.851 0.000 0.758 3194 A CB -0.144 18.474 19.000 -0.637 0.000 0.991 3194 A HN 0.693 nan 8.150 nan 0.000 0.502 3195 Q N 1.348 121.021 119.800 -0.211 0.000 2.235 3195 Q HA 0.260 4.599 4.340 -0.001 0.000 0.256 3195 Q C -0.439 175.486 176.000 -0.125 0.000 0.951 3195 Q CA -0.712 54.978 55.803 -0.187 0.000 0.890 3195 Q CB 1.192 29.789 28.738 -0.235 0.000 1.279 3195 Q HN 0.741 nan 8.270 nan 0.000 0.444 3196 Q N 0.977 120.708 119.800 -0.116 0.000 2.330 3196 Q HA 0.131 4.470 4.340 -0.001 0.000 0.279 3196 Q C -0.347 175.617 176.000 -0.060 0.000 1.024 3196 Q CA 0.066 55.823 55.803 -0.078 0.000 0.900 3196 Q CB 0.456 29.153 28.738 -0.068 0.000 1.221 3196 Q HN 0.322 nan 8.270 nan 0.000 0.396 3197 V N 2.858 122.745 119.914 -0.044 0.000 2.530 3197 V HA 0.138 4.258 4.120 -0.001 0.000 0.282 3197 V C 0.898 176.977 176.094 -0.024 0.000 1.048 3197 V CA -0.109 62.173 62.300 -0.030 0.000 0.997 3197 V CB 0.990 32.797 31.823 -0.026 0.000 0.987 3197 V HN 0.924 nan 8.190 nan 0.000 0.477 3198 S N 3.360 119.051 115.700 -0.016 0.000 2.690 3198 S HA 0.306 4.776 4.470 -0.001 0.000 0.285 3198 S C 1.505 176.103 174.600 -0.004 0.000 1.135 3198 S CA 0.071 58.266 58.200 -0.009 0.000 1.020 3198 S CB 1.212 64.410 63.200 -0.003 0.000 1.159 3198 S HN 0.873 nan 8.310 nan 0.000 0.534 3199 S N 1.121 116.821 115.700 0.001 0.000 2.343 3199 S HA -0.097 4.373 4.470 -0.001 0.000 0.219 3199 S C 1.497 176.102 174.600 0.010 0.000 1.033 3199 S CA 0.968 59.170 58.200 0.004 0.000 1.014 3199 S CB -0.773 62.431 63.200 0.007 0.000 0.915 3199 S HN 0.748 nan 8.310 nan 0.000 0.435 3200 K N 1.029 121.439 120.400 0.016 0.000 2.334 3200 K HA 0.200 4.520 4.320 -0.001 0.000 0.195 3200 K C 0.304 176.921 176.600 0.029 0.000 1.045 3200 K CA 0.277 56.579 56.287 0.025 0.000 1.004 3200 K CB 0.155 32.675 32.500 0.032 0.000 0.837 3200 K HN 0.454 nan 8.250 nan 0.000 0.510 3201 E N 2.034 122.249 120.200 0.024 0.000 1.972 3201 E HA 0.051 4.400 4.350 -0.001 0.000 0.292 3201 E C 0.295 176.900 176.600 0.009 0.000 1.193 3201 E CA -0.146 56.271 56.400 0.027 0.000 1.228 3201 E CB 0.337 30.055 29.700 0.031 0.000 1.167 3201 E HN 0.045 nan 8.360 nan 0.000 0.479 3202 R N 0.743 121.242 120.500 -0.002 0.000 2.359 3202 R HA 0.119 4.459 4.340 -0.001 0.000 0.231 3202 R C -0.066 176.186 176.300 -0.080 0.000 0.913 3202 R CA 0.039 56.119 56.100 -0.034 0.000 1.075 3202 R CB 0.481 30.762 30.300 -0.033 0.000 1.087 3202 R HN 0.102 nan 8.270 nan 0.000 0.515 3203 V N 2.634 122.507 119.914 -0.067 0.000 2.347 3203 V HA 0.355 4.475 4.120 -0.001 0.000 0.280 3203 V C 0.308 176.375 176.094 -0.045 0.000 1.021 3203 V CA -0.636 61.593 62.300 -0.120 0.000 0.847 3203 V CB 1.888 33.646 31.823 -0.108 0.000 0.990 3203 V HN 0.034 nan 8.190 nan 0.000 0.444 3204 I N 6.220 126.759 120.570 -0.051 0.000 2.315 3204 I HA 0.340 4.509 4.170 -0.001 0.000 0.291 3204 I C -0.315 175.811 176.117 0.016 0.000 1.006 3204 I CA -0.246 61.061 61.300 0.010 0.000 1.265 3204 I CB 1.034 39.049 38.000 0.024 0.000 1.387 3204 I HN 0.352 nan 8.210 nan 0.000 0.475 3205 L N 7.449 128.701 121.223 0.048 0.000 2.255 3205 L HA 0.394 4.733 4.340 -0.001 0.000 0.289 3205 L C 0.154 177.007 176.870 -0.030 0.000 1.046 3205 L CA -0.409 54.450 54.840 0.031 0.000 0.816 3205 L CB 0.731 42.834 42.059 0.072 0.000 1.197 3205 L HN 0.537 nan 8.230 nan 0.000 0.427 3206 K N 3.873 124.214 120.400 -0.098 0.000 2.354 3206 K HA 0.446 4.766 4.320 -0.001 0.000 0.257 3206 K C -1.213 175.261 176.600 -0.210 0.000 1.062 3206 K CA -0.463 55.656 56.287 -0.280 0.000 0.971 3206 K CB 1.029 33.374 32.500 -0.258 0.000 1.305 3206 K HN 0.355 nan 8.250 nan 0.000 0.449 3207 V N 3.522 123.310 119.914 -0.211 0.000 2.370 3207 V HA 0.188 4.307 4.120 -0.001 0.000 0.283 3207 V C 0.094 176.103 176.094 -0.142 0.000 1.023 3207 V CA -0.767 61.456 62.300 -0.129 0.000 0.857 3207 V CB 1.482 33.251 31.823 -0.090 0.000 0.985 3207 V HN 0.680 nan 8.190 nan 0.000 0.443 3208 T N 4.942 119.434 114.554 -0.104 0.000 2.761 3208 T HA 0.313 4.663 4.350 -0.001 0.000 0.296 3208 T C 0.030 174.681 174.700 -0.083 0.000 0.934 3208 T CA -0.064 61.978 62.100 -0.096 0.000 1.091 3208 T CB 0.861 69.687 68.868 -0.070 0.000 0.896 3208 T HN 0.397 nan 8.240 nan 0.000 0.515 3209 V N 8.244 128.104 119.914 -0.090 0.000 2.277 3209 V HA 0.274 4.394 4.120 -0.001 0.000 0.269 3209 V C -2.171 173.877 176.094 -0.076 0.000 1.036 3209 V CA -2.053 60.187 62.300 -0.099 0.000 0.821 3209 V CB 0.667 32.437 31.823 -0.090 0.000 1.052 3209 V HN 0.674 nan 8.190 nan 0.000 0.462 3210 P HA 0.173 nan 4.420 nan 0.000 0.275 3210 P C 0.901 178.172 177.300 -0.049 0.000 1.228 3210 P CA -0.148 62.923 63.100 -0.047 0.000 0.786 3210 P CB 0.966 32.646 31.700 -0.034 0.000 0.927 3211 S N 1.560 117.249 115.700 -0.018 0.000 2.414 3211 S HA 0.077 4.547 4.470 -0.001 0.000 0.227 3211 S C 1.670 176.260 174.600 -0.016 0.000 1.022 3211 S CA 0.758 58.949 58.200 -0.014 0.000 0.958 3211 S CB -1.420 61.788 63.200 0.012 0.000 0.797 3211 S HN 0.737 nan 8.310 nan 0.000 0.493 3212 G N 1.568 110.365 108.800 -0.005 0.000 2.168 3212 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.257 3212 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.257 3212 G C -0.028 174.876 174.900 0.007 0.000 0.997 3212 G CA 0.546 45.650 45.100 0.007 0.000 0.708 3212 G HN 0.782 nan 8.290 nan 0.000 0.520 3213 K N 0.149 120.551 120.400 0.003 0.000 2.412 3213 K HA 0.430 4.750 4.320 -0.001 0.000 0.281 3213 K C 1.623 178.226 176.600 0.006 0.000 1.027 3213 K CA 0.999 57.288 56.287 0.003 0.000 0.989 3213 K CB -0.126 32.377 32.500 0.004 0.000 0.935 3213 K HN 1.334 nan 8.250 nan 0.000 0.475 3214 G N 2.025 110.828 108.800 0.006 0.000 2.176 3214 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.253 3214 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.253 3214 G C -0.008 174.897 174.900 0.009 0.000 0.979 3214 G CA 0.456 45.561 45.100 0.007 0.000 0.641 3214 G HN 0.829 nan 8.290 nan 0.000 0.530 3215 S N -1.019 114.689 115.700 0.012 0.000 2.747 3215 S HA 0.698 5.168 4.470 -0.001 0.000 0.300 3215 S C 1.462 176.073 174.600 0.020 0.000 1.121 3215 S CA 0.856 59.066 58.200 0.016 0.000 0.995 3215 S CB 1.536 64.747 63.200 0.019 0.000 1.113 3215 S HN 1.149 nan 8.310 nan 0.000 0.547 3216 T N -2.186 112.381 114.554 0.022 0.000 3.088 3216 T HA 0.107 4.456 4.350 -0.001 0.000 0.259 3216 T C 0.879 175.600 174.700 0.035 0.000 1.122 3216 T CA 0.796 62.911 62.100 0.026 0.000 1.095 3216 T CB -0.943 67.939 68.868 0.024 0.000 0.930 3216 T HN 0.924 nan 8.240 nan 0.000 0.508 3217 T N 0.188 114.766 114.554 0.039 0.000 3.401 3217 T HA 0.535 4.885 4.350 -0.001 0.000 0.341 3217 T C -3.101 171.637 174.700 0.063 0.000 1.674 3217 T CA -1.816 60.317 62.100 0.054 0.000 1.600 3217 T CB 0.596 69.499 68.868 0.059 0.000 0.974 3217 T HN 0.015 nan 8.240 nan 0.000 0.672 3218 P HA 0.185 nan 4.420 nan 0.000 0.267 3218 P C 0.146 177.482 177.300 0.060 0.000 1.200 3218 P CA 0.012 63.133 63.100 0.035 0.000 0.772 3218 P CB 0.339 32.050 31.700 0.017 0.000 0.855 3219 T N 3.462 118.029 114.554 0.023 0.000 2.834 3219 T HA 0.063 4.412 4.350 -0.001 0.000 0.298 3219 T C 0.493 175.184 174.700 -0.015 0.000 0.966 3219 T CA -0.146 61.950 62.100 -0.006 0.000 1.141 3219 T CB -0.056 68.715 68.868 -0.161 0.000 0.905 3219 T HN 0.229 nan 8.240 nan 0.000 0.535 3220 K N 2.845 123.323 120.400 0.130 0.000 2.155 3220 K HA 0.493 4.812 4.320 -0.001 0.000 0.240 3220 K C -0.119 176.539 176.600 0.096 0.000 1.193 3220 K CA -0.306 56.071 56.287 0.150 0.000 1.104 3220 K CB 0.125 32.806 32.500 0.302 0.000 1.558 3220 K HN 0.650 nan 8.250 nan 0.000 0.313 3221 A N 0.959 123.702 122.820 -0.128 0.000 2.587 3221 A HA 0.879 5.198 4.320 -0.001 0.000 0.293 3221 A C -0.643 176.658 177.584 -0.471 0.000 1.087 3221 A CA -0.664 51.265 52.037 -0.181 0.000 0.692 3221 A CB 2.084 20.981 19.000 -0.173 0.000 1.291 3221 A HN 0.516 nan 8.150 nan 0.000 0.407 3222 G N -0.912 107.560 108.800 -0.547 0.000 2.646 3222 G HA2 0.587 4.547 3.960 -0.001 0.000 0.291 3222 G HA3 0.587 4.547 3.960 -0.001 0.000 0.291 3222 G C -1.660 173.229 174.900 -0.018 0.000 1.445 3222 G CA -0.402 44.337 45.100 -0.602 0.000 0.814 3222 G HN 1.115 nan 8.290 nan 0.000 0.495 3223 V N 1.069 121.089 119.914 0.176 0.000 2.509 3223 V HA 0.642 4.761 4.120 -0.001 0.000 0.284 3223 V C 0.140 176.453 176.094 0.366 0.000 1.047 3223 V CA -0.495 61.970 62.300 0.274 0.000 0.952 3223 V CB 1.286 33.231 31.823 0.204 0.000 0.988 3223 V HN 0.698 nan 8.190 nan 0.000 0.469 3224 I N 4.292 125.023 120.570 0.270 0.000 2.828 3224 I HA 0.526 4.695 4.170 -0.001 0.000 0.302 3224 I C -1.417 174.722 176.117 0.037 0.000 1.101 3224 I CA -1.101 60.275 61.300 0.126 0.000 1.031 3224 I CB 2.182 40.201 38.000 0.033 0.000 1.231 3224 I HN 0.546 nan 8.210 nan 0.000 0.427 3225 L N 7.658 128.833 121.223 -0.080 0.000 2.255 3225 L HA 0.493 4.832 4.340 -0.001 0.000 0.289 3225 L C -0.923 175.835 176.870 -0.187 0.000 1.046 3225 L CA 0.235 54.905 54.840 -0.283 0.000 0.816 3225 L CB 0.256 42.105 42.059 -0.350 0.000 1.197 3225 L HN 0.614 nan 8.230 nan 0.000 0.427 3226 N N 4.248 122.850 118.700 -0.163 0.000 2.310 3226 N HA 0.266 5.006 4.740 -0.001 0.000 0.292 3226 N C -0.879 174.580 175.510 -0.085 0.000 1.049 3226 N CA -0.307 52.683 53.050 -0.099 0.000 0.849 3226 N CB 1.334 39.787 38.487 -0.056 0.000 1.532 3226 N HN 0.630 nan 8.380 nan 0.000 0.479 3227 N N 1.969 120.627 118.700 -0.070 0.000 2.727 3227 N HA -0.172 4.568 4.740 -0.001 0.000 0.249 3227 N C -0.647 174.827 175.510 -0.060 0.000 1.048 3227 N CA 1.349 54.370 53.050 -0.049 0.000 0.714 3227 N CB -1.323 37.153 38.487 -0.018 0.000 0.959 3227 N HN 0.717 nan 8.380 nan 0.000 0.544 3228 S N -1.895 113.745 115.700 -0.101 0.000 3.490 3228 S HA -0.257 4.213 4.470 -0.001 0.000 0.301 3228 S C 0.082 174.604 174.600 -0.130 0.000 1.233 3228 S CA 1.662 59.794 58.200 -0.113 0.000 0.914 3228 S CB -0.850 62.316 63.200 -0.058 0.000 1.047 3228 S HN 0.843 nan 8.310 nan 0.000 0.602 3229 E N -0.603 119.493 120.200 -0.172 0.000 2.331 3229 E HA 0.500 4.849 4.350 -0.001 0.000 0.275 3229 E C -1.325 175.150 176.600 -0.209 0.000 0.895 3229 E CA -0.857 55.474 56.400 -0.116 0.000 0.753 3229 E CB 1.077 30.796 29.700 0.030 0.000 1.216 3229 E HN 0.234 nan 8.360 nan 0.000 0.434 3230 Y N 2.574 122.907 120.300 0.054 0.000 2.393 3230 Y HA 0.315 4.865 4.550 -0.001 0.000 0.338 3230 Y C 0.209 176.160 175.900 0.084 0.000 1.029 3230 Y CA -0.024 58.117 58.100 0.068 0.000 1.239 3230 Y CB 0.988 39.496 38.460 0.080 0.000 1.170 3230 Y HN 0.213 nan 8.280 nan 0.000 0.515 3231 K N 2.717 123.215 120.400 0.162 0.000 2.385 3231 K HA 0.575 4.895 4.320 -0.001 0.000 0.248 3231 K C -1.145 175.538 176.600 0.138 0.000 0.955 3231 K CA -1.347 54.993 56.287 0.087 0.000 0.816 3231 K CB 2.166 34.638 32.500 -0.046 0.000 1.250 3231 K HN 0.470 nan 8.250 nan 0.000 0.434 3232 M N 3.058 122.720 119.600 0.104 0.000 2.113 3232 M HA 0.314 4.793 4.480 -0.001 0.000 0.352 3232 M C -1.619 174.739 176.300 0.096 0.000 1.170 3232 M CA -0.323 55.049 55.300 0.121 0.000 1.053 3232 M CB 0.365 33.028 32.600 0.105 0.000 1.601 3232 M HN 0.466 nan 8.290 nan 0.000 0.459 3233 L N 6.879 128.196 121.223 0.157 0.000 2.296 3233 L HA 0.581 4.921 4.340 -0.001 0.000 0.286 3233 L C -0.876 176.152 176.870 0.264 0.000 1.023 3233 L CA -0.555 54.428 54.840 0.237 0.000 0.812 3233 L CB 1.234 43.519 42.059 0.376 0.000 1.223 3233 L HN 0.701 nan 8.230 nan 0.000 0.421 3234 I N 1.701 122.400 120.570 0.215 0.000 2.433 3234 I HA 0.223 4.392 4.170 -0.001 0.000 0.292 3234 I C -0.043 176.129 176.117 0.091 0.000 1.001 3234 I CA -0.613 60.758 61.300 0.118 0.000 1.119 3234 I CB 2.138 40.112 38.000 -0.043 0.000 1.289 3234 I HN 0.546 nan 8.210 nan 0.000 0.438 3235 D N 3.883 124.253 120.400 -0.050 0.000 2.362 3235 D HA -0.023 4.617 4.640 -0.001 0.000 0.238 3235 D C 1.098 177.322 176.300 -0.127 0.000 1.212 3235 D CA 0.266 54.025 54.000 -0.402 0.000 0.902 3235 D CB 0.762 41.380 40.800 -0.304 0.000 1.180 3235 D HN 0.384 nan 8.370 nan 0.000 0.445 3236 N N 1.201 119.695 118.700 -0.343 0.000 2.364 3236 N HA -0.066 4.674 4.740 -0.001 0.000 0.183 3236 N C 1.242 176.623 175.510 -0.214 0.000 1.022 3236 N CA 0.813 53.680 53.050 -0.306 0.000 0.883 3236 N CB -0.134 38.100 38.487 -0.421 0.000 0.965 3236 N HN 0.527 nan 8.380 nan 0.000 0.438 3237 G N -0.573 108.047 108.800 -0.299 0.000 3.340 3237 G HA2 0.064 4.024 3.960 -0.001 0.000 0.240 3237 G HA3 0.064 4.024 3.960 -0.001 0.000 0.240 3237 G C -0.645 173.820 174.900 -0.725 0.000 1.327 3237 G CA 0.068 44.874 45.100 -0.490 0.000 1.170 3237 G HN 0.181 nan 8.290 nan 0.000 0.520 3238 Y N -1.239 119.012 120.300 -0.081 0.000 2.504 3238 Y HA 0.562 5.112 4.550 -0.001 0.000 0.344 3238 Y C 0.149 176.074 175.900 0.042 0.000 1.023 3238 Y CA -1.100 56.983 58.100 -0.028 0.000 1.020 3238 Y CB 1.825 40.266 38.460 -0.032 0.000 1.282 3238 Y HN -0.072 nan 8.280 nan 0.000 0.454 3239 M N 1.714 121.447 119.600 0.221 0.000 2.762 3239 M HA 0.675 5.155 4.480 -0.001 0.000 0.306 3239 M C -1.163 175.298 176.300 0.269 0.000 1.223 3239 M CA -1.313 54.135 55.300 0.247 0.000 0.896 3239 M CB 2.053 34.743 32.600 0.151 0.000 1.684 3239 M HN 0.289 nan 8.290 nan 0.000 0.491 3240 V N 0.648 120.752 119.914 0.316 0.000 2.328 3240 V HA 0.187 4.307 4.120 -0.001 0.000 0.278 3240 V C -0.742 175.466 176.094 0.190 0.000 1.021 3240 V CA -0.550 61.904 62.300 0.258 0.000 0.838 3240 V CB 0.724 32.748 31.823 0.335 0.000 0.999 3240 V HN 0.677 nan 8.190 nan 0.000 0.447 3241 H N 4.385 123.512 119.070 0.095 0.000 2.690 3241 H HA 0.403 4.958 4.556 -0.001 0.000 0.314 3241 H C -0.407 174.958 175.328 0.061 0.000 1.069 3241 H CA -0.173 55.914 56.048 0.066 0.000 1.436 3241 H CB 1.256 31.045 29.762 0.045 0.000 1.462 3241 H HN 0.408 nan 8.280 nan 0.000 0.511 3242 V N 6.914 126.583 119.914 -0.409 0.000 2.405 3242 V HA -0.001 4.118 4.120 -0.001 0.000 0.264 3242 V C 0.575 176.531 176.094 -0.230 0.000 1.048 3242 V CA -0.007 62.164 62.300 -0.214 0.000 0.966 3242 V CB 0.919 32.679 31.823 -0.104 0.000 1.015 3242 V HN 0.923 nan 8.190 nan 0.000 0.477 3243 D N 3.434 123.804 120.400 -0.050 0.000 2.240 3243 D HA 0.086 4.726 4.640 -0.001 0.000 0.206 3243 D C 0.781 177.088 176.300 0.011 0.000 0.963 3243 D CA 0.800 54.814 54.000 0.023 0.000 0.863 3243 D CB 0.821 41.659 40.800 0.063 0.000 0.973 3243 D HN 0.543 nan 8.370 nan 0.000 0.501 3244 K N 0.049 120.452 120.400 0.006 0.000 2.578 3244 K HA 0.383 4.703 4.320 -0.001 0.000 0.269 3244 K C -2.086 174.528 176.600 0.023 0.000 0.941 3244 K CA -0.494 55.801 56.287 0.014 0.000 0.847 3244 K CB 2.425 34.931 32.500 0.009 0.000 1.397 3244 K HN -0.302 nan 8.250 nan 0.000 0.422 3245 V N 2.773 122.708 119.914 0.035 0.000 2.531 3245 V HA 0.614 4.733 4.120 -0.001 0.000 0.301 3245 V C -0.943 175.156 176.094 0.009 0.000 1.034 3245 V CA -0.510 61.816 62.300 0.044 0.000 0.865 3245 V CB 1.501 33.402 31.823 0.130 0.000 0.995 3245 V HN 0.920 nan 8.190 nan 0.000 0.424 3246 S N 3.304 118.988 115.700 -0.027 0.000 2.607 3246 S HA 0.672 5.142 4.470 -0.001 0.000 0.273 3246 S C -1.094 173.466 174.600 -0.065 0.000 1.148 3246 S CA -1.008 57.172 58.200 -0.034 0.000 0.833 3246 S CB 2.209 65.397 63.200 -0.020 0.000 1.130 3246 S HN 0.646 nan 8.310 nan 0.000 0.470 3247 K N 1.187 121.553 120.400 -0.056 0.000 2.201 3247 K HA 0.635 4.954 4.320 -0.001 0.000 0.278 3247 K C -0.453 176.118 176.600 -0.048 0.000 1.027 3247 K CA -0.626 55.621 56.287 -0.068 0.000 0.909 3247 K CB 0.913 33.381 32.500 -0.055 0.000 1.062 3247 K HN 0.754 nan 8.250 nan 0.000 0.465 3248 V N 0.453 120.336 119.914 -0.051 0.000 3.074 3248 V HA 0.685 4.804 4.120 -0.001 0.000 0.314 3248 V C -1.019 175.055 176.094 -0.033 0.000 1.117 3248 V CA -0.917 61.363 62.300 -0.034 0.000 1.014 3248 V CB 1.987 33.794 31.823 -0.025 0.000 1.057 3248 V HN 0.411 nan 8.190 nan 0.000 0.438 3249 V N 2.315 122.215 119.914 -0.024 0.000 2.487 3249 V HA 0.623 4.742 4.120 -0.001 0.000 0.298 3249 V C -0.540 175.542 176.094 -0.021 0.000 1.028 3249 V CA -0.586 61.700 62.300 -0.023 0.000 0.860 3249 V CB 1.752 33.563 31.823 -0.019 0.000 0.991 3249 V HN 0.918 nan 8.190 nan 0.000 0.427 3250 K N 4.002 124.389 120.400 -0.023 0.000 2.521 3250 K HA 0.453 4.773 4.320 -0.001 0.000 0.248 3250 K C -0.138 176.448 176.600 -0.023 0.000 0.978 3250 K CA -0.654 55.619 56.287 -0.023 0.000 0.947 3250 K CB 1.294 33.778 32.500 -0.026 0.000 1.165 3250 K HN 0.684 nan 8.250 nan 0.000 0.445 3251 K N 1.007 121.395 120.400 -0.021 0.000 3.150 3251 K HA -0.259 4.061 4.320 -0.001 0.000 0.267 3251 K C 0.665 177.255 176.600 -0.016 0.000 1.028 3251 K CA 0.633 56.909 56.287 -0.019 0.000 0.753 3251 K CB -1.651 30.837 32.500 -0.021 0.000 1.288 3251 K HN 1.119 nan 8.250 nan 0.000 0.473 3252 G N -1.467 107.323 108.800 -0.015 0.000 2.212 3252 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.266 3252 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.266 3252 G C 0.194 175.085 174.900 -0.014 0.000 0.978 3252 G CA 0.232 45.324 45.100 -0.013 0.000 0.632 3252 G HN 0.305 nan 8.290 nan 0.000 0.537 3253 V N 1.840 121.743 119.914 -0.017 0.000 2.383 3253 V HA 0.410 4.530 4.120 -0.001 0.000 0.275 3253 V C 0.429 176.508 176.094 -0.024 0.000 1.036 3253 V CA -0.742 61.547 62.300 -0.019 0.000 0.889 3253 V CB 1.526 33.338 31.823 -0.019 0.000 0.985 3253 V HN 0.390 nan 8.190 nan 0.000 0.459 3254 E N 3.333 123.517 120.200 -0.026 0.000 2.313 3254 E HA 0.446 4.795 4.350 -0.001 0.000 0.276 3254 E C -0.866 175.704 176.600 -0.051 0.000 1.031 3254 E CA -0.303 56.075 56.400 -0.036 0.000 0.857 3254 E CB 1.218 30.898 29.700 -0.034 0.000 1.040 3254 E HN 0.664 nan 8.360 nan 0.000 0.408 3255 C N 2.531 121.791 119.300 -0.066 0.000 3.080 3255 C HA 0.500 4.959 4.460 -0.001 0.000 0.307 3255 C C -0.441 174.465 174.990 -0.140 0.000 1.311 3255 C CA -0.827 58.134 59.018 -0.095 0.000 1.533 3255 C CB 0.956 28.653 27.740 -0.072 0.000 1.970 3255 C HN 0.636 nan 8.230 nan 0.000 0.467 3256 L N 1.988 123.077 121.223 -0.223 0.000 2.282 3256 L HA 0.511 4.850 4.340 -0.001 0.000 0.288 3256 L C -0.134 176.588 176.870 -0.245 0.000 1.033 3256 L CA 0.056 54.708 54.840 -0.314 0.000 0.807 3256 L CB 1.198 42.871 42.059 -0.643 0.000 1.209 3256 L HN 0.715 nan 8.230 nan 0.000 0.423 3257 Q N 4.113 123.819 119.800 -0.158 0.000 2.307 3257 Q HA 0.519 4.859 4.340 -0.001 0.000 0.262 3257 Q C -1.174 174.787 176.000 -0.064 0.000 0.961 3257 Q CA -0.519 55.232 55.803 -0.087 0.000 0.882 3257 Q CB 1.676 30.390 28.738 -0.042 0.000 1.264 3257 Q HN 0.589 nan 8.270 nan 0.000 0.446 3258 I N 3.929 124.476 120.570 -0.038 0.000 2.321 3258 I HA 0.252 4.421 4.170 -0.001 0.000 0.291 3258 I C -0.399 175.712 176.117 -0.011 0.000 0.998 3258 I CA -0.438 60.863 61.300 0.002 0.000 1.227 3258 I CB 1.570 39.588 38.000 0.030 0.000 1.368 3258 I HN 0.603 nan 8.210 nan 0.000 0.466 3259 E N 4.984 125.178 120.200 -0.011 0.000 2.113 3259 E HA 0.598 4.948 4.350 -0.001 0.000 0.273 3259 E C -0.161 176.434 176.600 -0.008 0.000 0.924 3259 E CA -0.458 55.925 56.400 -0.027 0.000 0.764 3259 E CB 2.153 31.836 29.700 -0.028 0.000 1.104 3259 E HN 0.789 nan 8.360 nan 0.000 0.406 3260 G N 1.517 110.313 108.800 -0.006 0.000 2.766 3260 G HA2 0.598 4.558 3.960 -0.001 0.000 0.288 3260 G HA3 0.598 4.558 3.960 -0.001 0.000 0.288 3260 G C -0.920 173.999 174.900 0.032 0.000 1.408 3260 G CA -0.406 44.712 45.100 0.030 0.000 0.852 3260 G HN 0.316 nan 8.290 nan 0.000 0.487 3261 T N 0.571 115.174 114.554 0.082 0.000 2.900 3261 T HA 0.491 4.841 4.350 -0.001 0.000 0.295 3261 T C 0.062 174.815 174.700 0.088 0.000 1.044 3261 T CA -0.447 61.688 62.100 0.058 0.000 0.995 3261 T CB 1.526 70.429 68.868 0.057 0.000 1.072 3261 T HN 0.413 nan 8.240 nan 0.000 0.473 3262 L N 2.487 123.736 121.223 0.042 0.000 2.485 3262 L HA 0.350 4.690 4.340 -0.001 0.000 0.275 3262 L C 0.498 177.453 176.870 0.142 0.000 1.207 3262 L CA 0.078 54.965 54.840 0.079 0.000 0.855 3262 L CB 0.320 42.346 42.059 -0.055 0.000 1.114 3262 L HN 0.473 nan 8.230 nan 0.000 0.485 3263 K N 3.988 124.515 120.400 0.211 0.000 2.507 3263 K HA 0.266 4.585 4.320 -0.001 0.000 0.252 3263 K C -0.789 175.911 176.600 0.166 0.000 0.943 3263 K CA -0.807 55.576 56.287 0.160 0.000 0.808 3263 K CB 1.566 34.136 32.500 0.117 0.000 1.142 3263 K HN 0.400 nan 8.250 nan 0.000 0.426 3264 K N 2.108 122.569 120.400 0.102 0.000 2.350 3264 K HA 0.124 4.443 4.320 -0.001 0.000 0.279 3264 K C -1.160 175.336 176.600 -0.173 0.000 1.027 3264 K CA 0.096 56.297 56.287 -0.142 0.000 0.969 3264 K CB 0.947 33.377 32.500 -0.117 0.000 0.954 3264 K HN 0.500 nan 8.250 nan 0.000 0.474 3265 S N 5.353 120.881 115.700 -0.287 0.000 2.653 3265 S HA 0.264 4.734 4.470 -0.001 0.000 0.268 3265 S C -0.789 173.613 174.600 -0.330 0.000 1.153 3265 S CA -0.862 57.199 58.200 -0.232 0.000 1.036 3265 S CB 0.395 63.505 63.200 -0.150 0.000 1.103 3265 S HN 0.582 nan 8.310 nan 0.000 0.466 3266 L N 3.739 124.741 121.223 -0.369 0.000 2.490 3266 L HA 0.320 4.659 4.340 -0.001 0.000 0.274 3266 L C -0.066 176.519 176.870 -0.476 0.000 1.201 3266 L CA 0.174 54.697 54.840 -0.528 0.000 0.869 3266 L CB 0.232 41.888 42.059 -0.671 0.000 1.123 3266 L HN 0.638 nan 8.230 nan 0.000 0.484 3267 D N 2.231 122.305 120.400 -0.544 0.000 2.386 3267 D HA 0.222 4.862 4.640 -0.001 0.000 0.247 3267 D C 0.026 176.112 176.300 -0.356 0.000 1.336 3267 D CA -0.447 53.371 54.000 -0.303 0.000 0.976 3267 D CB 0.782 41.478 40.800 -0.174 0.000 1.257 3267 D HN 0.224 nan 8.370 nan 0.000 0.570 3268 F N 2.659 122.570 119.950 -0.066 0.000 2.811 3268 F HA 0.106 4.633 4.527 -0.001 0.000 0.301 3268 F C 1.838 177.586 175.800 -0.087 0.000 1.151 3268 F CA -0.191 57.771 58.000 -0.065 0.000 1.412 3268 F CB 0.000 38.972 39.000 -0.047 0.000 1.113 3268 F HN 0.158 nan 8.300 nan 0.000 0.579 3269 K N 0.534 120.939 120.400 0.008 0.000 1.931 3269 K HA -0.316 4.004 4.320 -0.001 0.000 0.126 3269 K C 0.693 177.141 176.600 -0.253 0.000 1.372 3269 K CA 1.740 57.887 56.287 -0.233 0.000 0.483 3269 K CB -1.588 30.774 32.500 -0.230 0.000 0.562 3269 K HN 0.384 nan 8.250 nan 0.000 0.923 3270 N N 2.822 121.378 118.700 -0.240 0.000 2.362 3270 N HA -0.000 4.739 4.740 -0.001 0.000 0.204 3270 N C -0.329 175.160 175.510 -0.035 0.000 1.166 3270 N CA 0.988 53.949 53.050 -0.148 0.000 0.831 3270 N CB -0.228 38.167 38.487 -0.153 0.000 1.008 3270 N HN 0.532 nan 8.380 nan 0.000 0.472 3271 D N 0.768 121.182 120.400 0.024 0.000 2.735 3271 D HA -0.196 4.443 4.640 -0.001 0.000 0.235 3271 D C 1.069 177.410 176.300 0.068 0.000 1.175 3271 D CA 0.676 54.730 54.000 0.090 0.000 0.683 3271 D CB -1.217 39.625 40.800 0.069 0.000 1.008 3271 D HN 0.684 nan 8.370 nan 0.000 0.416 3272 I N -3.065 117.542 120.570 0.061 0.000 2.756 3272 I HA -0.089 4.080 4.170 -0.001 0.000 0.262 3272 I C 1.218 177.380 176.117 0.075 0.000 1.225 3272 I CA 0.836 62.171 61.300 0.059 0.000 1.472 3272 I CB -0.131 37.904 38.000 0.057 0.000 1.094 3272 I HN 0.022 nan 8.210 nan 0.000 0.454 3273 N N 1.705 120.464 118.700 0.098 0.000 2.214 3273 N HA 0.280 5.020 4.740 -0.001 0.000 0.214 3273 N C 0.585 176.158 175.510 0.105 0.000 1.132 3273 N CA 0.744 53.855 53.050 0.102 0.000 0.856 3273 N CB 0.910 39.467 38.487 0.117 0.000 1.020 3273 N HN 0.432 nan 8.380 nan 0.000 0.509 3274 A N 1.047 123.925 122.820 0.095 0.000 2.466 3274 A HA -0.197 4.123 4.320 -0.001 0.000 0.295 3274 A C 0.958 178.603 177.584 0.102 0.000 1.465 3274 A CA 0.886 52.973 52.037 0.084 0.000 0.744 3274 A CB -1.267 17.775 19.000 0.071 0.000 1.098 3274 A HN 0.261 nan 8.150 nan 0.000 0.402 3275 E N -1.121 119.154 120.200 0.124 0.000 2.465 3275 E HA 0.233 4.582 4.350 -0.001 0.000 0.209 3275 E C 2.197 178.775 176.600 -0.037 0.000 0.951 3275 E CA 0.800 57.294 56.400 0.156 0.000 0.997 3275 E CB -0.341 29.551 29.700 0.320 0.000 1.025 3275 E HN 1.010 nan 8.360 nan 0.000 0.500 3276 A N 1.184 123.787 122.820 -0.361 0.000 1.883 3276 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 3276 A C 2.081 179.458 177.584 -0.345 0.000 1.186 3276 A CA 2.128 53.602 52.037 -0.938 0.000 0.624 3276 A CB -0.821 17.771 19.000 -0.680 0.000 0.822 3276 A HN 0.261 nan 8.150 nan 0.000 0.444 3277 H N 0.088 119.065 119.070 -0.155 0.000 2.387 3277 H HA -0.037 4.518 4.556 -0.001 0.000 0.299 3277 H C 2.288 177.576 175.328 -0.067 0.000 1.090 3277 H CA 1.809 57.842 56.048 -0.026 0.000 1.332 3277 H CB -0.152 29.657 29.762 0.078 0.000 1.386 3277 H HN 0.406 nan 8.280 nan 0.000 0.516 3278 S N -0.654 115.017 115.700 -0.048 0.000 2.382 3278 S HA -0.178 4.291 4.470 -0.001 0.000 0.228 3278 S C 1.798 176.334 174.600 -0.105 0.000 1.027 3278 S CA 1.132 59.291 58.200 -0.068 0.000 0.991 3278 S CB -0.554 62.673 63.200 0.045 0.000 0.823 3278 S HN 0.677 nan 8.310 nan 0.000 0.469 3279 W N 2.410 123.579 121.300 -0.219 0.000 2.379 3279 W HA -0.031 4.629 4.660 -0.001 0.000 0.307 3279 W C 2.296 178.627 176.519 -0.314 0.000 1.200 3279 W CA 1.318 58.562 57.345 -0.169 0.000 1.297 3279 W CB -0.994 28.431 29.460 -0.060 0.000 1.140 3279 W HN 0.252 nan 8.180 nan 0.000 0.507 3280 G N 0.429 108.926 108.800 -0.506 0.000 2.440 3280 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 3280 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 3280 G C 1.362 175.849 174.900 -0.688 0.000 1.154 3280 G CA 1.472 45.850 45.100 -1.204 0.000 0.767 3280 G HN 0.153 nan 8.290 nan 0.000 0.552 3281 M N 0.376 119.675 119.600 -0.502 0.000 2.200 3281 M HA 0.079 4.558 4.480 -0.001 0.000 0.265 3281 M C 2.298 178.476 176.300 -0.204 0.000 1.066 3281 M CA 1.048 56.213 55.300 -0.226 0.000 1.127 3281 M CB -0.935 31.513 32.600 -0.254 0.000 1.379 3281 M HN 0.277 nan 8.290 nan 0.000 0.420 3282 K N 0.496 120.722 120.400 -0.289 0.000 2.097 3282 K HA -0.175 4.145 4.320 -0.001 0.000 0.206 3282 K C 1.313 177.716 176.600 -0.329 0.000 1.049 3282 K CA 1.727 57.858 56.287 -0.260 0.000 0.933 3282 K CB 0.060 32.409 32.500 -0.252 0.000 0.717 3282 K HN 0.330 nan 8.250 nan 0.000 0.442 3283 N N -1.459 116.932 118.700 -0.516 0.000 2.405 3283 N HA 0.000 4.740 4.740 -0.001 0.000 0.175 3283 N C 0.226 175.408 175.510 -0.548 0.000 1.051 3283 N CA 0.576 53.283 53.050 -0.573 0.000 0.899 3283 N CB 0.398 38.352 38.487 -0.887 0.000 1.000 3283 N HN 0.159 nan 8.380 nan 0.000 0.451 3284 Y N -0.365 119.812 120.300 -0.206 0.000 2.527 3284 Y HA 0.275 4.825 4.550 -0.001 0.000 0.247 3284 Y C 1.607 177.632 175.900 0.208 0.000 1.138 3284 Y CA -0.470 57.658 58.100 0.048 0.000 1.228 3284 Y CB 0.417 38.915 38.460 0.063 0.000 1.252 3284 Y HN 0.022 nan 8.280 nan 0.000 0.531 3285 E N 1.406 121.706 120.200 0.166 0.000 2.110 3285 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 3285 E C 1.946 178.618 176.600 0.119 0.000 0.988 3285 E CA 1.626 58.112 56.400 0.143 0.000 0.804 3285 E CB 0.156 29.886 29.700 0.051 0.000 0.745 3285 E HN 0.606 nan 8.360 nan 0.000 0.458 3286 E N -0.480 119.766 120.200 0.077 0.000 2.107 3286 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 3286 E C 1.719 178.374 176.600 0.092 0.000 0.982 3286 E CA 1.020 57.449 56.400 0.049 0.000 0.809 3286 E CB -0.297 29.407 29.700 0.007 0.000 0.756 3286 E HN 0.453 nan 8.360 nan 0.000 0.459 3287 W N 1.360 122.646 121.300 -0.024 0.000 2.333 3287 W HA -0.199 4.460 4.660 -0.001 0.000 0.316 3287 W C 2.145 178.702 176.519 0.064 0.000 1.215 3287 W CA 2.541 59.901 57.345 0.025 0.000 1.278 3287 W CB -0.647 28.872 29.460 0.099 0.000 1.154 3287 W HN 0.127 nan 8.180 nan 0.000 0.486 3288 A N 0.290 123.103 122.820 -0.013 0.000 1.972 3288 A HA -0.208 4.111 4.320 -0.001 0.000 0.219 3288 A C 2.057 179.500 177.584 -0.235 0.000 1.169 3288 A CA 1.962 53.810 52.037 -0.315 0.000 0.635 3288 A CB -0.878 18.155 19.000 0.055 0.000 0.810 3288 A HN 0.449 nan 8.150 nan 0.000 0.446 3289 K N -0.528 119.810 120.400 -0.104 0.000 2.155 3289 K HA -0.106 4.213 4.320 -0.001 0.000 0.203 3289 K C 0.366 176.900 176.600 -0.109 0.000 1.052 3289 K CA 1.344 57.583 56.287 -0.079 0.000 0.948 3289 K CB -0.010 32.474 32.500 -0.028 0.000 0.728 3289 K HN 0.331 nan 8.250 nan 0.000 0.448 3290 D N 0.922 121.240 120.400 -0.137 0.000 2.328 3290 D HA 0.035 4.675 4.640 -0.001 0.000 0.221 3290 D C 0.070 176.262 176.300 -0.180 0.000 1.072 3290 D CA 0.165 54.091 54.000 -0.124 0.000 0.850 3290 D CB 0.156 40.911 40.800 -0.074 0.000 0.922 3290 D HN 0.202 nan 8.370 nan 0.000 0.516 3291 L N 1.597 122.649 121.223 -0.285 0.000 2.453 3291 L HA 0.045 4.385 4.340 -0.001 0.000 0.272 3291 L C 1.455 178.228 176.870 -0.161 0.000 1.182 3291 L CA -0.050 54.612 54.840 -0.296 0.000 0.858 3291 L CB 0.462 42.276 42.059 -0.407 0.000 1.120 3291 L HN -0.003 nan 8.230 nan 0.000 0.474 3292 T N -2.315 112.171 114.554 -0.114 0.000 2.813 3292 T HA -0.031 4.318 4.350 -0.001 0.000 0.297 3292 T C 0.939 175.601 174.700 -0.063 0.000 1.036 3292 T CA -0.636 61.423 62.100 -0.068 0.000 1.044 3292 T CB 1.112 69.956 68.868 -0.041 0.000 0.993 3292 T HN 0.698 nan 8.240 nan 0.000 0.535 3293 D N 0.485 120.859 120.400 -0.043 0.000 2.123 3293 D HA -0.148 4.492 4.640 -0.001 0.000 0.196 3293 D C 2.009 178.293 176.300 -0.027 0.000 0.992 3293 D CA 1.518 55.498 54.000 -0.034 0.000 0.833 3293 D CB -0.144 40.642 40.800 -0.023 0.000 0.954 3293 D HN 0.580 nan 8.370 nan 0.000 0.455 3294 S N 0.117 115.804 115.700 -0.020 0.000 2.402 3294 S HA -0.130 4.340 4.470 -0.001 0.000 0.229 3294 S C 1.994 176.587 174.600 -0.012 0.000 1.021 3294 S CA 0.765 58.959 58.200 -0.010 0.000 0.974 3294 S CB -0.019 63.180 63.200 -0.002 0.000 0.800 3294 S HN 0.398 nan 8.310 nan 0.000 0.484 3295 Q N 0.505 120.288 119.800 -0.027 0.000 2.049 3295 Q HA -0.007 4.332 4.340 -0.001 0.000 0.198 3295 Q C 2.367 178.337 176.000 -0.051 0.000 0.971 3295 Q CA 0.964 56.746 55.803 -0.034 0.000 0.833 3295 Q CB -0.180 28.524 28.738 -0.056 0.000 0.896 3295 Q HN 0.197 nan 8.270 nan 0.000 0.434 3296 R N 1.447 121.902 120.500 -0.076 0.000 2.096 3296 R HA -0.177 4.163 4.340 -0.001 0.000 0.235 3296 R C 1.859 178.145 176.300 -0.024 0.000 1.127 3296 R CA 1.735 57.790 56.100 -0.074 0.000 0.968 3296 R CB -0.273 29.976 30.300 -0.085 0.000 0.861 3296 R HN 0.163 nan 8.270 nan 0.000 0.440 3297 E N -0.153 120.038 120.200 -0.014 0.000 2.077 3297 E HA -0.052 4.298 4.350 -0.001 0.000 0.193 3297 E C 1.705 178.319 176.600 0.023 0.000 0.989 3297 E CA 1.669 58.072 56.400 0.005 0.000 0.800 3297 E CB -0.379 29.322 29.700 0.002 0.000 0.746 3297 E HN 0.385 nan 8.360 nan 0.000 0.452 3298 A N 0.319 123.151 122.820 0.020 0.000 1.898 3298 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 3298 A C 2.289 179.912 177.584 0.064 0.000 1.181 3298 A CA 1.342 53.401 52.037 0.037 0.000 0.620 3298 A CB -0.671 18.342 19.000 0.022 0.000 0.819 3298 A HN 0.331 nan 8.150 nan 0.000 0.442 3299 L N -0.758 120.492 121.223 0.046 0.000 2.056 3299 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 3299 L C 2.149 179.105 176.870 0.142 0.000 1.078 3299 L CA 1.578 56.468 54.840 0.082 0.000 0.749 3299 L CB -0.694 41.400 42.059 0.057 0.000 0.901 3299 L HN 0.301 nan 8.230 nan 0.000 0.433 3300 D N 0.150 120.606 120.400 0.094 0.000 2.097 3300 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 3300 D C 2.153 178.521 176.300 0.113 0.000 0.989 3300 D CA 1.478 55.537 54.000 0.097 0.000 0.827 3300 D CB -0.287 40.548 40.800 0.059 0.000 0.966 3300 D HN 0.303 nan 8.370 nan 0.000 0.456 3301 G N -0.484 108.376 108.800 0.100 0.000 2.421 3301 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.216 3301 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.216 3301 G C 1.516 176.488 174.900 0.121 0.000 1.171 3301 G CA 0.822 45.975 45.100 0.087 0.000 0.775 3301 G HN 0.289 nan 8.290 nan 0.000 0.543 3302 Y N 2.063 122.392 120.300 0.048 0.000 2.053 3302 Y HA -0.170 4.380 4.550 -0.001 0.000 0.277 3302 Y C 2.964 178.983 175.900 0.198 0.000 1.159 3302 Y CA 2.042 60.190 58.100 0.079 0.000 1.125 3302 Y CB -0.542 37.919 38.460 0.001 0.000 0.969 3302 Y HN 0.250 nan 8.280 nan 0.000 0.492 3303 A N 0.248 123.191 122.820 0.204 0.000 1.902 3303 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 3303 A C 2.386 180.107 177.584 0.228 0.000 1.181 3303 A CA 1.732 53.866 52.037 0.162 0.000 0.623 3303 A CB -0.841 18.269 19.000 0.183 0.000 0.818 3303 A HN 0.568 nan 8.150 nan 0.000 0.443 3304 R N -0.941 119.668 120.500 0.183 0.000 2.070 3304 R HA -0.185 4.154 4.340 -0.001 0.000 0.233 3304 R C 1.931 178.304 176.300 0.122 0.000 1.137 3304 R CA 2.106 58.299 56.100 0.155 0.000 0.945 3304 R CB -0.024 30.323 30.300 0.078 0.000 0.845 3304 R HN 0.712 nan 8.270 nan 0.000 0.430 3305 Q N -2.928 116.880 119.800 0.013 0.000 1.671 3305 Q HA -0.015 4.324 4.340 -0.001 0.000 0.177 3305 Q C 0.235 176.004 176.000 -0.385 0.000 0.680 3305 Q CA 0.087 55.778 55.803 -0.186 0.000 0.748 3305 Q CB -0.044 28.619 28.738 -0.126 0.000 1.198 3305 Q HN 0.218 nan 8.270 nan 0.000 0.387 3306 D N 1.423 121.699 120.400 -0.207 0.000 2.350 3306 D HA -0.071 4.569 4.640 -0.001 0.000 0.216 3306 D C 1.690 177.855 176.300 -0.224 0.000 0.968 3306 D CA 1.144 55.045 54.000 -0.164 0.000 0.894 3306 D CB -0.223 40.573 40.800 -0.005 0.000 0.909 3306 D HN 0.509 nan 8.370 nan 0.000 0.520 3307 Y N 1.244 121.297 120.300 -0.411 0.000 2.224 3307 Y HA -0.106 4.443 4.550 -0.001 0.000 0.289 3307 Y C 2.143 177.968 175.900 -0.126 0.000 1.146 3307 Y CA 0.993 58.721 58.100 -0.620 0.000 1.182 3307 Y CB -0.612 37.179 38.460 -1.116 0.000 0.983 3307 Y HN -0.190 nan 8.280 nan 0.000 0.524 3308 K N 0.733 120.714 120.400 -0.699 0.000 2.026 3308 K HA -0.251 4.068 4.320 -0.001 0.000 0.208 3308 K C 2.297 178.853 176.600 -0.073 0.000 1.048 3308 K CA 1.742 57.853 56.287 -0.294 0.000 0.929 3308 K CB -0.261 31.967 32.500 -0.453 0.000 0.713 3308 K HN 0.584 nan 8.250 nan 0.000 0.439 3309 E N 0.594 120.730 120.200 -0.107 0.000 2.031 3309 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 3309 E C 2.079 178.742 176.600 0.105 0.000 0.994 3309 E CA 1.352 57.746 56.400 -0.008 0.000 0.800 3309 E CB -0.086 29.585 29.700 -0.048 0.000 0.752 3309 E HN 0.344 nan 8.360 nan 0.000 0.447 3310 I N 1.546 122.203 120.570 0.147 0.000 2.163 3310 I HA -0.318 3.852 4.170 -0.001 0.000 0.243 3310 I C 2.122 178.462 176.117 0.371 0.000 1.085 3310 I CA 1.076 62.556 61.300 0.301 0.000 1.347 3310 I CB -0.402 37.836 38.000 0.396 0.000 1.044 3310 I HN 0.187 nan 8.210 nan 0.000 0.408 3311 N N 0.718 119.622 118.700 0.341 0.000 2.270 3311 N HA -0.167 4.573 4.740 -0.001 0.000 0.181 3311 N C 1.614 177.244 175.510 0.199 0.000 1.016 3311 N CA 1.140 54.370 53.050 0.300 0.000 0.870 3311 N CB -0.607 38.070 38.487 0.317 0.000 0.979 3311 N HN 0.386 nan 8.380 nan 0.000 0.431 3312 N N 0.408 119.216 118.700 0.181 0.000 2.188 3312 N HA -0.180 4.560 4.740 -0.001 0.000 0.184 3312 N C 1.702 177.307 175.510 0.159 0.000 1.018 3312 N CA 0.723 53.855 53.050 0.138 0.000 0.858 3312 N CB -0.258 38.297 38.487 0.113 0.000 0.989 3312 N HN 0.197 nan 8.380 nan 0.000 0.426 3313 Y N 0.668 121.009 120.300 0.068 0.000 2.224 3313 Y HA -0.007 4.542 4.550 -0.001 0.000 0.289 3313 Y C 1.681 177.612 175.900 0.052 0.000 1.146 3313 Y CA 1.440 59.574 58.100 0.058 0.000 1.182 3313 Y CB -0.235 38.267 38.460 0.069 0.000 0.983 3313 Y HN 0.116 nan 8.280 nan 0.000 0.524 3314 L N -0.766 120.441 121.223 -0.027 0.000 2.127 3314 L HA -0.069 4.271 4.340 -0.001 0.000 0.203 3314 L C 2.500 179.307 176.870 -0.104 0.000 1.080 3314 L CA 1.053 55.808 54.840 -0.141 0.000 0.768 3314 L CB -0.357 41.686 42.059 -0.026 0.000 0.924 3314 L HN 0.037 nan 8.230 nan 0.000 0.444 3315 R N -0.057 120.427 120.500 -0.026 0.000 2.066 3315 R HA 0.030 4.369 4.340 -0.001 0.000 0.224 3315 R C 1.023 177.306 176.300 -0.028 0.000 1.122 3315 R CA 0.876 56.962 56.100 -0.023 0.000 0.974 3315 R CB -0.064 30.246 30.300 0.016 0.000 0.871 3315 R HN 0.296 nan 8.270 nan 0.000 0.435 3316 N N 0.364 119.060 118.700 -0.007 0.000 2.273 3316 N HA -0.001 4.739 4.740 -0.001 0.000 0.231 3316 N C 0.094 175.598 175.510 -0.011 0.000 1.134 3316 N CA 0.278 53.327 53.050 -0.003 0.000 0.856 3316 N CB 1.379 39.880 38.487 0.023 0.000 1.068 3316 N HN 0.288 nan 8.380 nan 0.000 0.510 3317 Q N -0.794 118.972 119.800 -0.057 0.000 1.870 3317 Q HA 0.126 4.466 4.340 -0.001 0.000 0.182 3317 Q C 0.173 176.071 176.000 -0.169 0.000 0.779 3317 Q CA 0.021 55.781 55.803 -0.072 0.000 0.912 3317 Q CB 0.424 29.163 28.738 0.002 0.000 1.234 3317 Q HN 0.219 nan 8.270 nan 0.000 0.404 3318 G N 0.717 109.411 108.800 -0.176 0.000 2.422 3318 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.301 3318 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.301 3318 G C 0.863 175.593 174.900 -0.283 0.000 0.981 3318 G CA 0.602 45.590 45.100 -0.187 0.000 0.994 3318 G HN 1.099 nan 8.290 nan 0.000 0.514 3319 G N -1.246 107.212 108.800 -0.569 0.000 2.212 3319 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.267 3319 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.267 3319 G C 1.621 176.282 174.900 -0.398 0.000 1.002 3319 G CA 1.708 46.322 45.100 -0.811 0.000 0.729 3319 G HN 2.108 nan 8.290 nan 0.000 0.517 3320 S N -0.690 114.863 115.700 -0.246 0.000 2.066 3320 S HA 0.069 4.538 4.470 -0.001 0.000 0.529 3320 S C 1.478 176.139 174.600 0.102 0.000 0.923 3320 S CA 2.388 60.577 58.200 -0.017 0.000 3.312 3320 S CB -0.609 62.615 63.200 0.040 0.000 2.307 3320 S HN 2.115 nan 8.310 nan 0.000 0.511 3321 G N 0.401 109.319 108.800 0.196 0.000 2.542 3321 G HA2 0.623 4.582 3.960 -0.001 0.000 0.311 3321 G HA3 0.623 4.582 3.960 -0.001 0.000 0.311 3321 G C -0.829 174.190 174.900 0.197 0.000 1.298 3321 G CA -0.248 44.956 45.100 0.173 0.000 0.973 3321 G HN 0.799 nan 8.290 nan 0.000 0.487 3322 N N -0.105 118.671 118.700 0.127 0.000 3.382 3322 N HA 0.003 4.742 4.740 -0.001 0.000 0.299 3322 N C 0.024 175.549 175.510 0.025 0.000 1.346 3322 N CA 0.332 53.392 53.050 0.017 0.000 0.811 3322 N CB 0.505 38.890 38.487 -0.171 0.000 1.697 3322 N HN 0.677 nan 8.380 nan 0.000 0.394 3323 E N -0.560 119.628 120.200 -0.020 0.000 2.314 3323 E HA 0.128 4.477 4.350 -0.001 0.000 0.216 3323 E C 0.803 177.395 176.600 -0.013 0.000 1.048 3323 E CA -0.265 56.138 56.400 0.005 0.000 1.575 3323 E CB 0.344 30.049 29.700 0.008 0.000 3.354 3323 E HN 0.355 nan 8.360 nan 0.000 1.075 3324 K N 1.563 121.937 120.400 -0.044 0.000 2.057 3324 K HA 0.024 4.344 4.320 -0.001 0.000 0.207 3324 K C 2.064 178.636 176.600 -0.047 0.000 1.049 3324 K CA 1.493 57.754 56.287 -0.042 0.000 0.931 3324 K CB 0.024 32.490 32.500 -0.057 0.000 0.714 3324 K HN 0.196 nan 8.250 nan 0.000 0.440 3325 L N 0.634 121.790 121.223 -0.112 0.000 2.131 3325 L HA -0.130 4.210 4.340 -0.001 0.000 0.206 3325 L C 2.009 178.900 176.870 0.035 0.000 1.087 3325 L CA 0.775 55.553 54.840 -0.104 0.000 0.767 3325 L CB -0.438 41.383 42.059 -0.397 0.000 0.917 3325 L HN 0.198 nan 8.230 nan 0.000 0.441 3326 D N 0.758 121.195 120.400 0.060 0.000 2.123 3326 D HA -0.180 4.459 4.640 -0.001 0.000 0.196 3326 D C 2.208 178.566 176.300 0.096 0.000 0.992 3326 D CA 1.620 55.701 54.000 0.135 0.000 0.833 3326 D CB 0.132 41.006 40.800 0.124 0.000 0.954 3326 D HN 0.321 nan 8.370 nan 0.000 0.455 3327 A N 1.048 123.904 122.820 0.059 0.000 1.877 3327 A HA -0.244 4.076 4.320 -0.001 0.000 0.216 3327 A C 2.186 179.803 177.584 0.056 0.000 1.186 3327 A CA 1.892 53.959 52.037 0.049 0.000 0.620 3327 A CB -0.762 18.256 19.000 0.029 0.000 0.822 3327 A HN 0.248 nan 8.150 nan 0.000 0.443 3328 Q N -0.350 119.483 119.800 0.055 0.000 2.084 3328 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 3328 Q C 1.960 178.010 176.000 0.083 0.000 0.978 3328 Q CA 1.715 57.554 55.803 0.060 0.000 0.844 3328 Q CB -0.277 28.497 28.738 0.059 0.000 0.898 3328 Q HN 0.689 nan 8.270 nan 0.000 0.426 3329 I N 0.689 121.338 120.570 0.132 0.000 2.208 3329 I HA -0.316 3.854 4.170 -0.001 0.000 0.245 3329 I C 2.272 178.492 176.117 0.171 0.000 1.097 3329 I CA 1.404 62.826 61.300 0.203 0.000 1.363 3329 I CB -0.233 37.929 38.000 0.271 0.000 1.051 3329 I HN 0.218 nan 8.210 nan 0.000 0.413 3330 K N 0.503 120.977 120.400 0.124 0.000 2.057 3330 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 3330 K C 1.902 178.553 176.600 0.085 0.000 1.049 3330 K CA 1.311 57.657 56.287 0.099 0.000 0.931 3330 K CB -0.260 32.285 32.500 0.075 0.000 0.714 3330 K HN 0.326 nan 8.250 nan 0.000 0.440 3331 N N 1.164 119.904 118.700 0.067 0.000 2.166 3331 N HA -0.111 4.629 4.740 -0.001 0.000 0.186 3331 N C 1.914 177.453 175.510 0.049 0.000 1.019 3331 N CA 1.109 54.188 53.050 0.048 0.000 0.856 3331 N CB -0.141 38.365 38.487 0.031 0.000 0.993 3331 N HN 0.186 nan 8.380 nan 0.000 0.426 3332 I N 0.698 121.287 120.570 0.031 0.000 2.142 3332 I HA -0.207 3.963 4.170 -0.001 0.000 0.240 3332 I C 2.098 178.259 176.117 0.074 0.000 1.078 3332 I CA 0.909 62.190 61.300 -0.031 0.000 1.343 3332 I CB -0.267 37.576 38.000 -0.262 0.000 1.046 3332 I HN 0.003 nan 8.210 nan 0.000 0.405 3333 S N 0.320 116.119 115.700 0.165 0.000 2.399 3333 S HA -0.172 4.298 4.470 -0.001 0.000 0.231 3333 S C 1.519 176.206 174.600 0.145 0.000 1.022 3333 S CA 1.233 59.552 58.200 0.198 0.000 0.983 3333 S CB -0.312 63.000 63.200 0.186 0.000 0.803 3333 S HN 0.409 nan 8.310 nan 0.000 0.480 3334 D N 1.856 122.328 120.400 0.120 0.000 2.097 3334 D HA 0.005 4.644 4.640 -0.001 0.000 0.195 3334 D C 2.166 178.558 176.300 0.153 0.000 0.989 3334 D CA 1.281 55.348 54.000 0.111 0.000 0.827 3334 D CB -0.505 40.344 40.800 0.081 0.000 0.966 3334 D HN 0.374 nan 8.370 nan 0.000 0.456 3335 A N 0.572 123.495 122.820 0.172 0.000 1.902 3335 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 3335 A C 2.297 180.159 177.584 0.463 0.000 1.181 3335 A CA 0.865 53.078 52.037 0.293 0.000 0.623 3335 A CB -0.742 18.398 19.000 0.233 0.000 0.818 3335 A HN 0.230 nan 8.150 nan 0.000 0.443 3336 L N -0.895 120.502 121.223 0.290 0.000 2.376 3336 L HA -0.047 4.293 4.340 -0.001 0.000 0.219 3336 L C 2.393 179.352 176.870 0.147 0.000 1.133 3336 L CA 0.742 55.697 54.840 0.190 0.000 0.816 3336 L CB -0.390 41.749 42.059 0.134 0.000 0.933 3336 L HN 0.505 nan 8.230 nan 0.000 0.449 3337 G N -0.836 108.064 108.800 0.166 0.000 2.939 3337 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.210 3337 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.210 3337 G C 1.567 176.552 174.900 0.141 0.000 1.160 3337 G CA -0.221 44.954 45.100 0.125 0.000 0.770 3337 G HN 0.200 nan 8.290 nan 0.000 0.543 3338 K N -0.200 120.333 120.400 0.222 0.000 2.032 3338 K HA -0.045 4.275 4.320 -0.001 0.000 0.209 3338 K C 0.937 177.647 176.600 0.182 0.000 1.048 3338 K CA 0.888 57.319 56.287 0.240 0.000 0.927 3338 K CB 0.026 32.764 32.500 0.397 0.000 0.712 3338 K HN 0.133 nan 8.250 nan 0.000 0.441 3339 K N 1.234 121.723 120.400 0.148 0.000 2.604 3339 K HA 0.253 4.572 4.320 -0.001 0.000 0.247 3339 K C -2.866 173.756 176.600 0.036 0.000 0.956 3339 K CA -2.159 54.147 56.287 0.031 0.000 0.896 3339 K CB 1.801 34.235 32.500 -0.110 0.000 1.131 3339 K HN -0.249 nan 8.250 nan 0.000 0.440 3340 P HA 0.003 nan 4.420 nan 0.000 0.269 3340 P C -0.198 177.163 177.300 0.101 0.000 1.209 3340 P CA -0.463 62.675 63.100 0.065 0.000 0.776 3340 P CB 0.392 32.119 31.700 0.045 0.000 0.876 3341 I N 5.386 126.042 120.570 0.144 0.000 2.943 3341 I HA -0.094 4.076 4.170 -0.001 0.000 0.296 3341 I C -0.799 175.416 176.117 0.164 0.000 1.220 3341 I CA -0.869 60.561 61.300 0.216 0.000 1.409 3341 I CB -0.131 37.970 38.000 0.168 0.000 1.374 3341 I HN 0.384 nan 8.210 nan 0.000 0.545 3342 P HA -0.114 nan 4.420 nan 0.000 0.222 3342 P C 0.019 177.403 177.300 0.141 0.000 1.147 3342 P CA 1.207 64.375 63.100 0.112 0.000 0.790 3342 P CB 0.479 32.204 31.700 0.041 0.000 0.780 3343 E N -1.805 118.514 120.200 0.199 0.000 2.437 3343 E HA 0.304 4.654 4.350 -0.001 0.000 0.280 3343 E C -0.994 175.653 176.600 0.078 0.000 1.044 3343 E CA -1.114 55.363 56.400 0.129 0.000 0.826 3343 E CB 0.147 29.938 29.700 0.151 0.000 1.358 3343 E HN -0.277 nan 8.360 nan 0.000 0.459 3344 N N 1.259 119.966 118.700 0.011 0.000 2.454 3344 N HA 0.255 4.995 4.740 -0.001 0.000 0.260 3344 N C -0.134 175.319 175.510 -0.094 0.000 1.218 3344 N CA 0.375 53.405 53.050 -0.033 0.000 0.904 3344 N CB 0.235 38.691 38.487 -0.051 0.000 1.065 3344 N HN 0.504 nan 8.380 nan 0.000 0.462 3345 I N -2.493 118.014 120.570 -0.105 0.000 3.174 3345 I HA 0.561 4.730 4.170 -0.001 0.000 0.313 3345 I C -0.664 175.357 176.117 -0.159 0.000 1.155 3345 I CA -0.829 60.362 61.300 -0.182 0.000 0.977 3345 I CB 2.435 40.295 38.000 -0.233 0.000 1.248 3345 I HN 0.053 nan 8.210 nan 0.000 0.453 3346 T N 3.266 117.712 114.554 -0.180 0.000 2.797 3346 T HA 0.647 4.996 4.350 -0.001 0.000 0.279 3346 T C -0.273 174.294 174.700 -0.222 0.000 0.991 3346 T CA -0.522 61.444 62.100 -0.223 0.000 0.979 3346 T CB 1.686 70.421 68.868 -0.221 0.000 0.943 3346 T HN 0.680 nan 8.240 nan 0.000 0.444 3347 V N 0.962 120.674 119.914 -0.338 0.000 3.074 3347 V HA 0.848 4.967 4.120 -0.001 0.000 0.314 3347 V C -1.896 173.896 176.094 -0.503 0.000 1.117 3347 V CA -1.155 61.007 62.300 -0.230 0.000 1.014 3347 V CB 1.627 33.405 31.823 -0.075 0.000 1.057 3347 V HN 0.789 nan 8.190 nan 0.000 0.438 3348 Y N 0.531 120.838 120.300 0.012 0.000 2.499 3348 Y HA 0.853 5.402 4.550 -0.001 0.000 0.347 3348 Y C 0.121 176.020 175.900 -0.001 0.000 0.987 3348 Y CA -0.783 57.322 58.100 0.008 0.000 1.044 3348 Y CB 2.258 40.774 38.460 0.092 0.000 1.245 3348 Y HN 0.811 nan 8.280 nan 0.000 0.461 3349 R N 1.763 122.309 120.500 0.077 0.000 2.510 3349 R HA 0.319 4.658 4.340 -0.001 0.000 0.287 3349 R C -2.288 173.982 176.300 -0.049 0.000 1.084 3349 R CA -0.662 55.451 56.100 0.022 0.000 0.934 3349 R CB 1.021 31.326 30.300 0.008 0.000 1.201 3349 R HN 0.767 nan 8.270 nan 0.000 0.431 3350 W N 4.454 125.570 121.300 -0.306 0.000 2.335 3350 W HA 0.378 5.038 4.660 -0.001 0.000 0.306 3350 W C -0.279 176.154 176.519 -0.144 0.000 1.216 3350 W CA -0.132 57.058 57.345 -0.259 0.000 1.237 3350 W CB 1.142 30.338 29.460 -0.439 0.000 1.243 3350 W HN 0.370 nan 8.180 nan 0.000 0.493 3351 C N 2.943 122.308 119.300 0.108 0.000 2.411 3351 C HA 0.849 5.309 4.460 -0.001 0.000 0.330 3351 C C 1.055 176.146 174.990 0.169 0.000 1.224 3351 C CA -0.842 58.276 59.018 0.168 0.000 1.770 3351 C CB 0.741 28.658 27.740 0.294 0.000 2.297 3351 C HN 0.850 nan 8.230 nan 0.000 0.507 3352 G N 1.862 110.781 108.800 0.197 0.000 2.537 3352 G HA2 0.403 4.363 3.960 -0.001 0.000 0.273 3352 G HA3 0.403 4.363 3.960 -0.001 0.000 0.273 3352 G C 0.835 175.870 174.900 0.225 0.000 1.189 3352 G CA -0.487 44.721 45.100 0.180 0.000 0.881 3352 G HN 0.664 nan 8.290 nan 0.000 0.535 3353 M N 0.768 120.487 119.600 0.198 0.000 2.106 3353 M HA -0.081 4.398 4.480 -0.001 0.000 0.259 3353 M C -0.078 176.436 176.300 0.356 0.000 1.068 3353 M CA 1.709 57.177 55.300 0.280 0.000 1.100 3353 M CB -1.900 30.832 32.600 0.219 0.000 1.351 3353 M HN 0.283 nan 8.290 nan 0.000 0.404 3354 P HA -0.159 nan 4.420 nan 0.000 0.218 3354 P C 1.301 178.714 177.300 0.187 0.000 1.148 3354 P CA 1.162 64.378 63.100 0.194 0.000 0.822 3354 P CB -0.172 31.611 31.700 0.139 0.000 0.784 3355 E N -1.320 119.018 120.200 0.231 0.000 2.265 3355 E HA -0.149 4.200 4.350 -0.001 0.000 0.196 3355 E C 0.492 177.126 176.600 0.057 0.000 0.996 3355 E CA 0.849 57.346 56.400 0.162 0.000 0.832 3355 E CB -0.332 29.510 29.700 0.237 0.000 0.756 3355 E HN 0.199 nan 8.360 nan 0.000 0.491 3356 F N -0.570 119.478 119.950 0.162 0.000 2.684 3356 F HA 0.352 4.878 4.527 -0.001 0.000 0.298 3356 F C 1.174 177.097 175.800 0.206 0.000 1.120 3356 F CA 0.343 58.467 58.000 0.207 0.000 1.332 3356 F CB 1.189 40.315 39.000 0.211 0.000 0.986 3356 F HN 0.107 nan 8.300 nan 0.000 0.524 3357 G N -0.357 108.531 108.800 0.146 0.000 2.153 3357 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.252 3357 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.252 3357 G C -0.157 174.613 174.900 -0.216 0.000 0.994 3357 G CA -0.024 45.033 45.100 -0.070 0.000 0.698 3357 G HN 0.387 nan 8.290 nan 0.000 0.521 3358 Y N -0.432 119.990 120.300 0.203 0.000 2.602 3358 Y HA 0.648 5.197 4.550 -0.001 0.000 0.330 3358 Y C 0.930 176.902 175.900 0.119 0.000 1.114 3358 Y CA -0.963 57.234 58.100 0.161 0.000 1.182 3358 Y CB 0.981 39.555 38.460 0.191 0.000 1.305 3358 Y HN 0.210 nan 8.280 nan 0.000 0.502 3359 Q N 1.201 121.162 119.800 0.269 0.000 2.221 3359 Q HA 0.298 4.637 4.340 -0.001 0.000 0.242 3359 Q C 1.292 177.382 176.000 0.150 0.000 0.940 3359 Q CA -0.442 55.461 55.803 0.165 0.000 0.896 3359 Q CB 1.600 30.412 28.738 0.122 0.000 1.226 3359 Q HN 0.786 nan 8.270 nan 0.000 0.463 3360 I N -1.436 119.201 120.570 0.112 0.000 2.335 3360 I HA -0.248 3.922 4.170 -0.001 0.000 0.251 3360 I C 1.718 177.876 176.117 0.068 0.000 1.129 3360 I CA 1.823 63.177 61.300 0.090 0.000 1.402 3360 I CB -0.345 37.700 38.000 0.075 0.000 1.069 3360 I HN 0.516 nan 8.210 nan 0.000 0.424 3361 S N -0.327 115.413 115.700 0.066 0.000 2.527 3361 S HA 0.045 4.514 4.470 -0.001 0.000 0.222 3361 S C 0.567 175.194 174.600 0.045 0.000 0.985 3361 S CA -0.267 57.962 58.200 0.048 0.000 0.921 3361 S CB -0.645 62.582 63.200 0.045 0.000 0.772 3361 S HN 0.399 nan 8.310 nan 0.000 0.529 3362 D N 4.404 124.844 120.400 0.067 0.000 2.382 3362 D HA 0.295 4.935 4.640 -0.001 0.000 0.245 3362 D C -2.005 174.295 176.300 0.000 0.000 1.120 3362 D CA -1.136 52.899 54.000 0.059 0.000 0.890 3362 D CB 0.731 41.608 40.800 0.128 0.000 1.201 3362 D HN 0.290 nan 8.370 nan 0.000 0.433 3363 P HA 0.132 nan 4.420 nan 0.000 0.276 3363 P C -0.244 176.973 177.300 -0.138 0.000 1.261 3363 P CA -0.758 62.301 63.100 -0.068 0.000 0.800 3363 P CB 0.887 32.560 31.700 -0.045 0.000 1.066 3364 L N 2.903 124.002 121.223 -0.208 0.000 2.410 3364 L HA 0.254 4.594 4.340 -0.001 0.000 0.273 3364 L C -1.773 174.981 176.870 -0.194 0.000 1.144 3364 L CA -1.614 53.029 54.840 -0.328 0.000 0.863 3364 L CB -0.577 41.162 42.059 -0.534 0.000 1.140 3364 L HN 0.321 nan 8.230 nan 0.000 0.463 3365 P HA 0.121 nan 4.420 nan 0.000 0.272 3365 P C -0.753 176.645 177.300 0.164 0.000 1.240 3365 P CA -0.484 62.649 63.100 0.054 0.000 0.791 3365 P CB 0.457 32.244 31.700 0.146 0.000 0.978 3366 S N 0.552 116.342 115.700 0.150 0.000 2.576 3366 S HA -0.036 4.433 4.470 -0.001 0.000 0.272 3366 S C 1.319 176.033 174.600 0.191 0.000 1.352 3366 S CA -0.582 57.708 58.200 0.150 0.000 1.021 3366 S CB -0.030 63.225 63.200 0.092 0.000 0.887 3366 S HN 0.402 nan 8.310 nan 0.000 0.542 3367 L N 1.522 122.813 121.223 0.113 0.000 2.042 3367 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 3367 L C 2.539 179.420 176.870 0.018 0.000 1.076 3367 L CA 2.115 56.924 54.840 -0.051 0.000 0.749 3367 L CB -1.098 40.889 42.059 -0.119 0.000 0.893 3367 L HN 0.993 nan 8.230 nan 0.000 0.432 3368 K N -0.833 119.586 120.400 0.032 0.000 2.026 3368 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 3368 K C 1.719 178.358 176.600 0.065 0.000 1.048 3368 K CA 1.919 58.221 56.287 0.026 0.000 0.929 3368 K CB -0.177 32.331 32.500 0.015 0.000 0.713 3368 K HN 0.325 nan 8.250 nan 0.000 0.439 3369 D N -0.033 120.432 120.400 0.108 0.000 2.144 3369 D HA -0.148 4.492 4.640 -0.001 0.000 0.200 3369 D C 1.638 178.056 176.300 0.196 0.000 0.978 3369 D CA 0.836 54.916 54.000 0.133 0.000 0.833 3369 D CB -0.258 40.637 40.800 0.157 0.000 0.961 3369 D HN 0.202 nan 8.370 nan 0.000 0.470 3370 F N 1.820 121.846 119.950 0.127 0.000 2.102 3370 F HA -0.127 4.400 4.527 -0.001 0.000 0.298 3370 F C 2.187 178.094 175.800 0.178 0.000 1.105 3370 F CA 1.405 59.535 58.000 0.218 0.000 1.239 3370 F CB 0.050 39.108 39.000 0.097 0.000 0.991 3370 F HN -0.098 nan 8.300 nan 0.000 0.474 3371 E N -0.146 120.169 120.200 0.192 0.000 2.110 3371 E HA -0.237 4.112 4.350 -0.001 0.000 0.193 3371 E C 2.058 178.651 176.600 -0.012 0.000 0.988 3371 E CA 1.494 57.939 56.400 0.074 0.000 0.804 3371 E CB -0.284 29.430 29.700 0.023 0.000 0.745 3371 E HN 0.569 nan 8.360 nan 0.000 0.458 3372 E N 0.394 120.584 120.200 -0.016 0.000 2.153 3372 E HA -0.237 4.113 4.350 -0.001 0.000 0.194 3372 E C 2.058 178.577 176.600 -0.135 0.000 0.988 3372 E CA 0.974 57.340 56.400 -0.058 0.000 0.811 3372 E CB 0.059 29.739 29.700 -0.033 0.000 0.746 3372 E HN 0.072 nan 8.360 nan 0.000 0.466 3373 Q N -0.673 119.013 119.800 -0.190 0.000 2.163 3373 Q HA -0.024 4.316 4.340 -0.001 0.000 0.198 3373 Q C 1.007 176.586 176.000 -0.702 0.000 0.954 3373 Q CA 1.326 56.862 55.803 -0.445 0.000 0.851 3373 Q CB 0.204 28.649 28.738 -0.488 0.000 0.928 3373 Q HN 0.236 nan 8.270 nan 0.000 0.459 3374 F N -1.328 118.455 119.950 -0.280 0.000 2.711 3374 F HA 0.278 4.804 4.527 -0.001 0.000 0.296 3374 F C 0.138 175.834 175.800 -0.174 0.000 1.096 3374 F CA -0.777 57.075 58.000 -0.246 0.000 1.280 3374 F CB 0.414 39.224 39.000 -0.317 0.000 1.060 3374 F HN -0.027 nan 8.300 nan 0.000 0.608 3375 L N 2.288 123.522 121.223 0.018 0.000 2.540 3375 L HA 0.066 4.406 4.340 -0.001 0.000 0.276 3375 L C 0.607 177.414 176.870 -0.106 0.000 1.212 3375 L CA 0.118 54.936 54.840 -0.036 0.000 0.893 3375 L CB -0.263 41.774 42.059 -0.036 0.000 1.138 3375 L HN 0.317 nan 8.230 nan 0.000 0.491 3376 N N 1.436 120.013 118.700 -0.204 0.000 2.754 3376 N HA -0.187 4.553 4.740 -0.001 0.000 0.248 3376 N C -0.164 175.201 175.510 -0.242 0.000 1.093 3376 N CA 1.139 54.038 53.050 -0.252 0.000 0.699 3376 N CB -1.564 36.905 38.487 -0.030 0.000 1.016 3376 N HN 0.924 nan 8.380 nan 0.000 0.552 3377 T N -2.853 111.532 114.554 -0.281 0.000 2.940 3377 T HA 0.754 5.103 4.350 -0.001 0.000 0.288 3377 T C 0.190 174.781 174.700 -0.181 0.000 1.045 3377 T CA -0.917 61.079 62.100 -0.174 0.000 1.018 3377 T CB 2.316 71.100 68.868 -0.140 0.000 1.151 3377 T HN 0.007 nan 8.240 nan 0.000 0.529 3378 I N 1.404 121.900 120.570 -0.124 0.000 2.354 3378 I HA 0.475 4.644 4.170 -0.001 0.000 0.292 3378 I C 0.092 176.079 176.117 -0.217 0.000 0.989 3378 I CA -0.773 60.452 61.300 -0.125 0.000 1.188 3378 I CB 1.368 39.328 38.000 -0.067 0.000 1.342 3378 I HN 0.801 nan 8.210 nan 0.000 0.457 3379 K N 6.867 127.023 120.400 -0.407 0.000 2.274 3379 K HA 0.412 4.731 4.320 -0.001 0.000 0.262 3379 K C -0.454 175.802 176.600 -0.574 0.000 0.961 3379 K CA -0.459 55.497 56.287 -0.552 0.000 0.833 3379 K CB 1.570 33.564 32.500 -0.844 0.000 1.102 3379 K HN 0.655 nan 8.250 nan 0.000 0.436 3380 E N 2.736 122.731 120.200 -0.342 0.000 2.299 3380 E HA 0.328 4.678 4.350 -0.001 0.000 0.265 3380 E C -1.321 175.175 176.600 -0.173 0.000 0.911 3380 E CA -0.913 55.347 56.400 -0.232 0.000 0.789 3380 E CB 2.076 31.683 29.700 -0.154 0.000 1.246 3380 E HN 0.460 nan 8.360 nan 0.000 0.427 3381 D N 0.412 120.744 120.400 -0.113 0.000 2.696 3381 D HA 0.225 4.864 4.640 -0.001 0.000 0.251 3381 D C -0.037 176.213 176.300 -0.082 0.000 1.188 3381 D CA -0.539 53.416 54.000 -0.074 0.000 0.876 3381 D CB 1.694 42.480 40.800 -0.024 0.000 1.334 3381 D HN 0.380 nan 8.370 nan 0.000 0.540 3382 K N 1.391 121.743 120.400 -0.080 0.000 2.296 3382 K HA 0.175 4.495 4.320 -0.001 0.000 0.200 3382 K C 1.273 177.796 176.600 -0.129 0.000 1.048 3382 K CA 0.347 56.572 56.287 -0.103 0.000 0.966 3382 K CB 0.322 32.768 32.500 -0.090 0.000 0.754 3382 K HN 0.397 nan 8.250 nan 0.000 0.466 3383 G N -0.212 108.547 108.800 -0.069 0.000 2.532 3383 G HA2 0.267 4.226 3.960 -0.001 0.000 0.291 3383 G HA3 0.267 4.226 3.960 -0.001 0.000 0.291 3383 G C -1.020 173.821 174.900 -0.099 0.000 1.349 3383 G CA -0.618 44.463 45.100 -0.031 0.000 1.038 3383 G HN -0.010 nan 8.290 nan 0.000 0.518 3384 Y N -0.602 119.769 120.300 0.120 0.000 2.304 3384 Y HA 0.435 4.985 4.550 -0.001 0.000 0.328 3384 Y C 0.736 176.705 175.900 0.116 0.000 1.123 3384 Y CA -0.305 57.849 58.100 0.089 0.000 1.218 3384 Y CB 1.602 40.088 38.460 0.042 0.000 1.207 3384 Y HN 0.291 nan 8.280 nan 0.000 0.495 3385 M N 3.319 123.043 119.600 0.208 0.000 2.088 3385 M HA 0.334 4.814 4.480 -0.001 0.000 0.346 3385 M C -0.453 175.926 176.300 0.132 0.000 1.111 3385 M CA -0.297 55.096 55.300 0.156 0.000 1.017 3385 M CB 0.661 33.334 32.600 0.121 0.000 1.568 3385 M HN 0.646 nan 8.290 nan 0.000 0.445 3386 S N 3.836 119.607 115.700 0.118 0.000 2.513 3386 S HA 0.655 5.124 4.470 -0.001 0.000 0.276 3386 S C -0.294 174.332 174.600 0.043 0.000 1.254 3386 S CA -0.198 58.044 58.200 0.071 0.000 1.053 3386 S CB 0.470 63.693 63.200 0.037 0.000 0.958 3386 S HN 0.822 nan 8.310 nan 0.000 0.491 3387 T N 1.095 115.670 114.554 0.034 0.000 2.841 3387 T HA 0.708 5.058 4.350 -0.001 0.000 0.296 3387 T C -0.597 174.142 174.700 0.066 0.000 1.166 3387 T CA -0.812 61.313 62.100 0.042 0.000 1.007 3387 T CB 1.558 70.439 68.868 0.021 0.000 1.253 3387 T HN 0.534 nan 8.240 nan 0.000 0.511 3388 S N -0.386 115.388 115.700 0.124 0.000 2.542 3388 S HA 0.538 5.007 4.470 -0.001 0.000 0.293 3388 S C 0.807 175.549 174.600 0.237 0.000 1.089 3388 S CA -1.010 57.288 58.200 0.163 0.000 0.961 3388 S CB 1.069 64.373 63.200 0.173 0.000 1.062 3388 S HN 0.723 nan 8.310 nan 0.000 0.483 3389 L N 2.139 123.487 121.223 0.209 0.000 2.376 3389 L HA 0.126 4.465 4.340 -0.001 0.000 0.219 3389 L C 1.175 178.208 176.870 0.272 0.000 1.133 3389 L CA 0.539 55.508 54.840 0.215 0.000 0.816 3389 L CB -0.093 41.995 42.059 0.049 0.000 0.933 3389 L HN 0.518 nan 8.230 nan 0.000 0.449 3390 S N -0.997 114.820 115.700 0.194 0.000 2.475 3390 S HA 0.239 4.709 4.470 -0.001 0.000 0.298 3390 S C 0.932 175.518 174.600 -0.024 0.000 1.119 3390 S CA -0.539 57.704 58.200 0.072 0.000 1.085 3390 S CB 1.517 64.751 63.200 0.058 0.000 1.028 3390 S HN 0.220 nan 8.310 nan 0.000 0.489 3391 S N 2.502 117.964 115.700 -0.396 0.000 2.605 3391 S HA 0.166 4.636 4.470 -0.001 0.000 0.217 3391 S C 0.442 175.120 174.600 0.131 0.000 0.958 3391 S CA -0.394 57.543 58.200 -0.438 0.000 0.919 3391 S CB -0.340 62.059 63.200 -1.336 0.000 0.780 3391 S HN 0.843 nan 8.310 nan 0.000 0.507 3392 E N 2.173 122.416 120.200 0.072 0.000 2.452 3392 E HA -0.027 4.323 4.350 -0.001 0.000 0.261 3392 E C 0.005 176.686 176.600 0.135 0.000 0.987 3392 E CA -0.240 56.216 56.400 0.092 0.000 0.926 3392 E CB 0.468 30.182 29.700 0.023 0.000 0.934 3392 E HN 0.382 nan 8.360 nan 0.000 0.452 3393 R N 4.837 125.335 120.500 -0.002 0.000 2.265 3393 R HA 0.279 4.619 4.340 -0.001 0.000 0.314 3393 R C -0.681 175.321 176.300 -0.497 0.000 1.053 3393 R CA -0.400 55.452 56.100 -0.413 0.000 0.931 3393 R CB 0.430 30.467 30.300 -0.437 0.000 1.024 3393 R HN 0.494 nan 8.270 nan 0.000 0.457 3394 L N 3.690 124.327 121.223 -0.977 0.000 2.334 3394 L HA 0.431 4.770 4.340 -0.001 0.000 0.272 3394 L C 1.301 177.640 176.870 -0.884 0.000 1.020 3394 L CA -0.688 53.592 54.840 -0.933 0.000 0.812 3394 L CB 1.769 43.156 42.059 -1.119 0.000 1.264 3394 L HN 0.817 nan 8.230 nan 0.000 0.439 3395 A N 1.870 124.385 122.820 -0.510 0.000 1.978 3395 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 3395 A C 2.228 179.614 177.584 -0.330 0.000 1.170 3395 A CA 1.865 53.696 52.037 -0.344 0.000 0.636 3395 A CB -0.540 18.333 19.000 -0.211 0.000 0.810 3395 A HN 0.905 nan 8.150 nan 0.000 0.448 3396 A N -0.749 121.830 122.820 -0.401 0.000 2.019 3396 A HA 0.128 4.447 4.320 -0.001 0.000 0.219 3396 A C 1.336 178.851 177.584 -0.116 0.000 1.164 3396 A CA 1.499 53.401 52.037 -0.225 0.000 0.644 3396 A CB -0.545 18.359 19.000 -0.160 0.000 0.805 3396 A HN 1.200 nan 8.150 nan 0.000 0.449 3397 F N -3.574 116.297 119.950 -0.131 0.000 2.859 3397 F HA 0.493 5.019 4.527 -0.001 0.000 0.324 3397 F C 1.166 176.845 175.800 -0.202 0.000 1.158 3397 F CA -0.755 57.181 58.000 -0.106 0.000 1.147 3397 F CB -0.536 38.428 39.000 -0.061 0.000 1.137 3397 F HN -0.055 nan 8.300 nan 0.000 0.516 3398 G N 0.723 109.391 108.800 -0.219 0.000 2.625 3398 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.214 3398 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.214 3398 G C 1.480 176.381 174.900 0.002 0.000 1.132 3398 G CA 1.111 46.066 45.100 -0.241 0.000 0.782 3398 G HN 0.515 nan 8.290 nan 0.000 0.538 3399 S N -0.181 115.563 115.700 0.072 0.000 2.458 3399 S HA 0.201 4.670 4.470 -0.001 0.000 0.223 3399 S C 1.162 175.856 174.600 0.157 0.000 1.019 3399 S CA -0.443 57.814 58.200 0.095 0.000 0.937 3399 S CB 0.214 63.450 63.200 0.061 0.000 0.788 3399 S HN 0.144 nan 8.310 nan 0.000 0.511 3400 R N 2.465 123.114 120.500 0.249 0.000 2.587 3400 R HA 0.093 4.432 4.340 -0.001 0.000 0.268 3400 R C 0.896 177.301 176.300 0.174 0.000 0.978 3400 R CA 0.601 56.849 56.100 0.247 0.000 1.097 3400 R CB 0.050 30.576 30.300 0.377 0.000 0.917 3400 R HN 0.479 nan 8.270 nan 0.000 0.414 3401 K N 1.833 122.238 120.400 0.007 0.000 2.353 3401 K HA 0.240 4.560 4.320 -0.001 0.000 0.195 3401 K C 0.072 176.498 176.600 -0.290 0.000 1.031 3401 K CA 0.401 56.602 56.287 -0.144 0.000 1.079 3401 K CB 0.499 32.875 32.500 -0.206 0.000 0.857 3401 K HN 0.389 nan 8.250 nan 0.000 0.535 3402 I N 2.104 122.510 120.570 -0.272 0.000 2.418 3402 I HA 0.315 4.484 4.170 -0.001 0.000 0.287 3402 I C -0.694 175.163 176.117 -0.434 0.000 1.008 3402 I CA -0.771 60.269 61.300 -0.434 0.000 1.104 3402 I CB 1.754 39.394 38.000 -0.599 0.000 1.264 3402 I HN -0.110 nan 8.210 nan 0.000 0.438 3403 I N 6.838 127.070 120.570 -0.565 0.000 2.355 3403 I HA 0.268 4.437 4.170 -0.001 0.000 0.288 3403 I C -0.520 175.350 176.117 -0.411 0.000 0.999 3403 I CA -0.757 60.141 61.300 -0.671 0.000 1.163 3403 I CB 1.733 39.093 38.000 -1.067 0.000 1.316 3403 I HN 0.360 nan 8.210 nan 0.000 0.454 3404 L N 7.652 128.715 121.223 -0.266 0.000 2.281 3404 L HA 0.384 4.723 4.340 -0.001 0.000 0.285 3404 L C 0.075 176.819 176.870 -0.209 0.000 1.074 3404 L CA 0.099 54.826 54.840 -0.189 0.000 0.817 3404 L CB 0.572 42.557 42.059 -0.123 0.000 1.168 3404 L HN 0.560 nan 8.230 nan 0.000 0.434 3405 R N 5.254 125.613 120.500 -0.235 0.000 2.287 3405 R HA 0.468 4.808 4.340 -0.001 0.000 0.316 3405 R C -1.620 174.470 176.300 -0.351 0.000 1.050 3405 R CA -0.704 55.189 56.100 -0.344 0.000 0.983 3405 R CB 0.622 30.838 30.300 -0.140 0.000 1.140 3405 R HN 0.669 nan 8.270 nan 0.000 0.528 3406 L N 3.379 124.355 121.223 -0.411 0.000 2.282 3406 L HA 0.329 4.669 4.340 -0.001 0.000 0.288 3406 L C -0.690 176.026 176.870 -0.257 0.000 1.033 3406 L CA -0.182 54.456 54.840 -0.336 0.000 0.807 3406 L CB 1.627 43.473 42.059 -0.356 0.000 1.209 3406 L HN 0.524 nan 8.230 nan 0.000 0.423 3407 Q N 4.450 124.143 119.800 -0.177 0.000 2.295 3407 Q HA 0.305 4.645 4.340 -0.001 0.000 0.259 3407 Q C -0.954 174.995 176.000 -0.084 0.000 0.976 3407 Q CA -0.168 55.562 55.803 -0.121 0.000 0.923 3407 Q CB 1.626 30.319 28.738 -0.075 0.000 1.185 3407 Q HN 0.471 nan 8.270 nan 0.000 0.410 3408 V N 6.615 126.483 119.914 -0.076 0.000 2.294 3408 V HA 0.248 4.367 4.120 -0.001 0.000 0.272 3408 V C -2.114 173.970 176.094 -0.016 0.000 1.027 3408 V CA -1.822 60.457 62.300 -0.035 0.000 0.823 3408 V CB 1.209 33.015 31.823 -0.028 0.000 1.030 3408 V HN 0.555 nan 8.190 nan 0.000 0.457 3409 P HA 0.099 nan 4.420 nan 0.000 0.270 3409 P C -0.236 177.077 177.300 0.023 0.000 1.223 3409 P CA -0.445 62.657 63.100 0.004 0.000 0.785 3409 P CB 0.598 32.301 31.700 0.006 0.000 0.923 3410 K N 1.498 121.913 120.400 0.025 0.000 2.484 3410 K HA 0.221 4.540 4.320 -0.001 0.000 0.280 3410 K C 1.025 177.647 176.600 0.037 0.000 1.013 3410 K CA 0.956 57.269 56.287 0.043 0.000 1.029 3410 K CB -0.790 31.731 32.500 0.035 0.000 0.902 3410 K HN 0.754 nan 8.250 nan 0.000 0.481 3411 G N 2.053 110.882 108.800 0.048 0.000 2.195 3411 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.224 3411 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.224 3411 G C -0.032 174.893 174.900 0.041 0.000 0.990 3411 G CA 0.127 45.251 45.100 0.039 0.000 0.639 3411 G HN 0.651 nan 8.290 nan 0.000 0.514 3412 S N 0.783 116.511 115.700 0.045 0.000 2.576 3412 S HA 0.461 4.931 4.470 -0.001 0.000 0.272 3412 S C 0.623 175.251 174.600 0.046 0.000 1.352 3412 S CA 0.749 58.973 58.200 0.041 0.000 1.021 3412 S CB 0.972 64.195 63.200 0.038 0.000 0.887 3412 S HN 0.445 nan 8.310 nan 0.000 0.542 3413 T N 2.625 117.203 114.554 0.039 0.000 2.794 3413 T HA 0.612 4.961 4.350 -0.001 0.000 0.304 3413 T C 0.489 175.208 174.700 0.033 0.000 0.973 3413 T CA -0.219 61.906 62.100 0.042 0.000 0.972 3413 T CB 0.426 69.319 68.868 0.041 0.000 0.952 3413 T HN 0.822 nan 8.240 nan 0.000 0.509 3414 G N 1.283 110.090 108.800 0.011 0.000 2.428 3414 G HA2 0.742 4.701 3.960 -0.001 0.000 0.304 3414 G HA3 0.742 4.701 3.960 -0.001 0.000 0.304 3414 G C -2.053 172.734 174.900 -0.188 0.000 1.303 3414 G CA -0.208 44.863 45.100 -0.048 0.000 0.825 3414 G HN 0.836 nan 8.290 nan 0.000 0.484 3415 A N -1.582 121.008 122.820 -0.383 0.000 2.610 3415 A HA 0.624 4.944 4.320 -0.001 0.000 0.291 3415 A C -1.886 175.175 177.584 -0.871 0.000 1.086 3415 A CA -0.596 50.873 52.037 -0.946 0.000 0.677 3415 A CB 1.202 19.417 19.000 -1.307 0.000 1.278 3415 A HN 1.795 nan 8.150 nan 0.000 0.414 3416 Y N 2.386 121.808 120.300 -1.464 0.000 2.594 3416 Y HA 0.325 4.874 4.550 -0.001 0.000 0.344 3416 Y C 1.081 176.790 175.900 -0.318 0.000 1.185 3416 Y CA -0.620 57.082 58.100 -0.663 0.000 1.565 3416 Y CB 0.476 38.624 38.460 -0.519 0.000 1.415 3416 Y HN 0.663 nan 8.280 nan 0.000 0.488 3417 L N 2.801 123.791 121.223 -0.389 0.000 2.081 3417 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 3417 L C 2.082 178.854 176.870 -0.165 0.000 1.080 3417 L CA 2.062 56.819 54.840 -0.138 0.000 0.754 3417 L CB -0.630 41.372 42.059 -0.094 0.000 0.893 3417 L HN 0.596 nan 8.230 nan 0.000 0.433 3418 S N -0.370 115.003 115.700 -0.546 0.000 2.493 3418 S HA -0.127 4.342 4.470 -0.001 0.000 0.243 3418 S C 1.945 176.516 174.600 -0.049 0.000 0.991 3418 S CA 0.812 58.781 58.200 -0.385 0.000 0.957 3418 S CB -0.551 62.291 63.200 -0.597 0.000 0.756 3418 S HN 0.657 nan 8.310 nan 0.000 0.521 3419 A N 1.569 124.433 122.820 0.074 0.000 2.168 3419 A HA 0.102 4.421 4.320 -0.001 0.000 0.215 3419 A C 1.883 179.601 177.584 0.224 0.000 1.152 3419 A CA 0.619 52.835 52.037 0.298 0.000 0.716 3419 A CB -0.698 18.596 19.000 0.490 0.000 0.794 3419 A HN 0.719 nan 8.150 nan 0.000 0.465 3420 I N -4.099 116.578 120.570 0.178 0.000 3.578 3420 I HA 0.326 4.496 4.170 -0.001 0.000 0.295 3420 I C 1.282 177.452 176.117 0.088 0.000 1.280 3420 I CA 0.542 61.905 61.300 0.104 0.000 1.347 3420 I CB -0.574 37.475 38.000 0.082 0.000 1.051 3420 I HN 0.249 nan 8.210 nan 0.000 0.460 3421 G N 1.983 110.843 108.800 0.100 0.000 2.361 3421 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.294 3421 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.294 3421 G C 0.720 175.680 174.900 0.101 0.000 1.004 3421 G CA 0.321 45.479 45.100 0.096 0.000 0.870 3421 G HN 0.799 nan 8.290 nan 0.000 0.510 3422 G N -1.550 107.314 108.800 0.106 0.000 3.678 3422 G HA2 0.526 4.486 3.960 -0.001 0.000 0.287 3422 G HA3 0.526 4.486 3.960 -0.001 0.000 0.287 3422 G C 0.582 175.627 174.900 0.242 0.000 1.280 3422 G CA 0.090 45.273 45.100 0.138 0.000 1.118 3422 G HN 1.311 nan 8.290 nan 0.000 0.563 3423 F N -0.331 119.630 119.950 0.018 0.000 2.545 3423 F HA -0.371 4.155 4.527 -0.001 0.000 0.690 3423 F C 1.717 177.517 175.800 0.000 0.000 0.488 3423 F CA 0.956 58.961 58.000 0.008 0.000 0.791 3423 F CB -1.278 37.730 39.000 0.013 0.000 1.653 3423 F HN 0.768 nan 8.300 nan 0.000 0.266 3424 A N 2.615 125.398 122.820 -0.062 0.000 1.750 3424 A HA 0.183 4.503 4.320 -0.001 0.000 0.239 3424 A C 1.288 178.675 177.584 -0.329 0.000 1.168 3424 A CA 2.479 54.418 52.037 -0.162 0.000 0.801 3424 A CB -1.950 17.035 19.000 -0.025 0.000 1.081 3424 A HN 2.405 nan 8.150 nan 0.000 0.324 3425 S N -0.992 114.336 115.700 -0.620 0.000 2.957 3425 S HA -0.174 4.295 4.470 -0.001 0.000 0.639 3425 S C -0.119 174.295 174.600 -0.310 0.000 3.016 3425 S CA 0.993 58.897 58.200 -0.492 0.000 3.207 3425 S CB -0.365 62.661 63.200 -0.290 0.000 0.330 3425 S HN 2.186 nan 8.310 nan 0.000 1.794 3426 E N 0.908 120.989 120.200 -0.199 0.000 2.195 3426 E HA 0.480 4.829 4.350 -0.001 0.000 0.271 3426 E C -0.233 176.344 176.600 -0.038 0.000 0.923 3426 E CA -0.827 55.500 56.400 -0.121 0.000 0.790 3426 E CB 0.902 30.544 29.700 -0.096 0.000 1.155 3426 E HN 0.816 nan 8.360 nan 0.000 0.402 3427 K N 0.505 120.931 120.400 0.044 0.000 3.035 3427 K HA -0.260 4.060 4.320 -0.001 0.000 0.262 3427 K C -0.171 176.504 176.600 0.124 0.000 1.024 3427 K CA 1.152 57.575 56.287 0.226 0.000 0.748 3427 K CB -1.104 31.499 32.500 0.172 0.000 1.247 3427 K HN 0.722 nan 8.250 nan 0.000 0.482 3428 E N 1.316 121.437 120.200 -0.131 0.000 2.227 3428 E HA 0.246 4.595 4.350 -0.001 0.000 0.282 3428 E C -0.409 176.108 176.600 -0.139 0.000 1.015 3428 E CA -0.668 55.660 56.400 -0.119 0.000 0.823 3428 E CB 0.687 30.296 29.700 -0.153 0.000 1.081 3428 E HN 0.104 nan 8.360 nan 0.000 0.396 3429 I N 5.773 126.337 120.570 -0.011 0.000 2.355 3429 I HA 0.206 4.375 4.170 -0.001 0.000 0.288 3429 I C -0.555 175.542 176.117 -0.034 0.000 0.999 3429 I CA -0.799 60.491 61.300 -0.017 0.000 1.163 3429 I CB 1.068 39.098 38.000 0.049 0.000 1.316 3429 I HN 0.546 nan 8.210 nan 0.000 0.454 3430 L N 8.171 129.350 121.223 -0.074 0.000 2.272 3430 L HA 0.504 4.843 4.340 -0.001 0.000 0.289 3430 L C -0.649 176.222 176.870 0.002 0.000 1.032 3430 L CA -0.119 54.711 54.840 -0.016 0.000 0.810 3430 L CB 0.981 43.018 42.059 -0.037 0.000 1.205 3430 L HN 0.370 nan 8.230 nan 0.000 0.422 3431 L N 3.513 124.772 121.223 0.060 0.000 2.357 3431 L HA 0.389 4.729 4.340 -0.001 0.000 0.273 3431 L C 0.094 177.043 176.870 0.131 0.000 1.080 3431 L CA -0.816 54.064 54.840 0.067 0.000 0.803 3431 L CB 1.197 43.291 42.059 0.058 0.000 1.174 3431 L HN 0.575 nan 8.230 nan 0.000 0.443 3432 D N 1.706 122.167 120.400 0.101 0.000 2.368 3432 D HA 0.053 4.692 4.640 -0.001 0.000 0.240 3432 D C -0.148 176.092 176.300 -0.100 0.000 1.169 3432 D CA -0.196 53.863 54.000 0.098 0.000 0.906 3432 D CB 0.760 41.601 40.800 0.067 0.000 1.187 3432 D HN 0.422 nan 8.370 nan 0.000 0.435 3433 K N 1.094 121.225 120.400 -0.449 0.000 2.286 3433 K HA 0.089 4.408 4.320 -0.001 0.000 0.256 3433 K C -0.382 176.076 176.600 -0.235 0.000 0.999 3433 K CA -0.260 55.706 56.287 -0.534 0.000 0.908 3433 K CB 0.303 32.300 32.500 -0.838 0.000 0.981 3433 K HN 0.322 nan 8.250 nan 0.000 0.500 3434 D N -0.100 120.192 120.400 -0.181 0.000 2.835 3434 D HA -0.146 4.494 4.640 -0.001 0.000 0.230 3434 D C -0.682 175.574 176.300 -0.073 0.000 1.130 3434 D CA 1.416 55.348 54.000 -0.112 0.000 0.738 3434 D CB -1.568 39.172 40.800 -0.100 0.000 1.090 3434 D HN 0.715 nan 8.370 nan 0.000 0.433 3435 S N -0.531 115.135 115.700 -0.057 0.000 2.601 3435 S HA 0.620 5.090 4.470 -0.001 0.000 0.271 3435 S C 0.193 174.780 174.600 -0.022 0.000 1.305 3435 S CA -0.348 57.847 58.200 -0.009 0.000 1.022 3435 S CB 2.463 65.685 63.200 0.038 0.000 0.940 3435 S HN 0.200 nan 8.310 nan 0.000 0.525 3436 K N 1.235 121.640 120.400 0.008 0.000 2.501 3436 K HA 0.465 4.784 4.320 -0.001 0.000 0.252 3436 K C -1.784 174.861 176.600 0.076 0.000 0.934 3436 K CA -0.696 55.568 56.287 -0.037 0.000 0.797 3436 K CB 1.925 34.403 32.500 -0.037 0.000 1.270 3436 K HN 0.813 nan 8.250 nan 0.000 0.431 3437 Y N -1.296 119.004 120.300 -0.001 0.000 2.524 3437 Y HA 0.424 4.973 4.550 -0.001 0.000 0.347 3437 Y C -0.939 174.988 175.900 0.045 0.000 1.005 3437 Y CA -1.199 56.914 58.100 0.023 0.000 1.025 3437 Y CB 1.213 39.677 38.460 0.007 0.000 1.275 3437 Y HN 0.544 nan 8.280 nan 0.000 0.460 3438 H N 4.721 123.921 119.070 0.217 0.000 2.552 3438 H HA 0.430 4.986 4.556 -0.001 0.000 0.311 3438 H C -0.875 174.555 175.328 0.171 0.000 1.071 3438 H CA -0.590 55.534 56.048 0.127 0.000 1.307 3438 H CB 1.015 30.807 29.762 0.051 0.000 1.416 3438 H HN 0.887 nan 8.280 nan 0.000 0.464 3439 I N 6.080 126.515 120.570 -0.224 0.000 2.421 3439 I HA -0.088 4.082 4.170 -0.001 0.000 0.291 3439 I C 0.789 176.809 176.117 -0.161 0.000 1.089 3439 I CA -0.118 61.146 61.300 -0.061 0.000 1.354 3439 I CB 0.712 38.739 38.000 0.045 0.000 1.413 3439 I HN 0.635 nan 8.210 nan 0.000 0.513 3440 D N 6.043 126.463 120.400 0.034 0.000 2.162 3440 D HA 0.013 4.653 4.640 -0.001 0.000 0.205 3440 D C 0.487 176.725 176.300 -0.103 0.000 0.964 3440 D CA 1.095 55.112 54.000 0.028 0.000 0.847 3440 D CB 0.378 41.196 40.800 0.030 0.000 0.988 3440 D HN 0.603 nan 8.370 nan 0.000 0.480 3441 K N -1.162 119.197 120.400 -0.068 0.000 2.642 3441 K HA 0.518 4.838 4.320 -0.001 0.000 0.290 3441 K C -1.715 174.857 176.600 -0.047 0.000 1.006 3441 K CA -0.848 55.394 56.287 -0.075 0.000 0.869 3441 K CB 1.793 34.253 32.500 -0.066 0.000 1.499 3441 K HN -0.231 nan 8.250 nan 0.000 0.403 3442 V N 0.983 120.858 119.914 -0.066 0.000 2.638 3442 V HA 0.619 4.739 4.120 -0.001 0.000 0.306 3442 V C -0.504 175.481 176.094 -0.181 0.000 1.052 3442 V CA -0.291 61.923 62.300 -0.142 0.000 0.885 3442 V CB 1.605 33.326 31.823 -0.170 0.000 0.999 3442 V HN 1.068 nan 8.190 nan 0.000 0.424 3443 T N 0.924 115.364 114.554 -0.189 0.000 2.864 3443 T HA 0.764 5.114 4.350 -0.001 0.000 0.289 3443 T C -0.840 173.789 174.700 -0.118 0.000 1.082 3443 T CA -0.945 61.078 62.100 -0.129 0.000 1.009 3443 T CB 2.502 71.339 68.868 -0.052 0.000 1.234 3443 T HN 0.591 nan 8.240 nan 0.000 0.526 3444 E N -0.496 119.679 120.200 -0.042 0.000 2.235 3444 E HA 0.718 5.068 4.350 -0.001 0.000 0.265 3444 E C -1.458 175.126 176.600 -0.028 0.000 0.940 3444 E CA -1.227 55.179 56.400 0.011 0.000 0.819 3444 E CB 2.626 32.364 29.700 0.063 0.000 1.206 3444 E HN 0.467 nan 8.360 nan 0.000 0.409 3445 V N 2.399 122.276 119.914 -0.062 0.000 2.817 3445 V HA 0.348 4.467 4.120 -0.001 0.000 0.303 3445 V C -1.743 174.323 176.094 -0.046 0.000 1.151 3445 V CA -0.757 61.512 62.300 -0.053 0.000 0.929 3445 V CB 1.876 33.629 31.823 -0.118 0.000 1.030 3445 V HN 0.618 nan 8.190 nan 0.000 0.427 3446 I N 7.724 128.296 120.570 0.003 0.000 2.304 3446 I HA 0.556 4.725 4.170 -0.001 0.000 0.291 3446 I C -0.453 175.698 176.117 0.057 0.000 1.018 3446 I CA 0.046 61.355 61.300 0.015 0.000 1.260 3446 I CB 0.793 38.810 38.000 0.028 0.000 1.390 3446 I HN 0.540 nan 8.210 nan 0.000 0.475 3447 I N 8.725 129.331 120.570 0.060 0.000 2.354 3447 I HA 0.321 4.491 4.170 -0.001 0.000 0.286 3447 I C 0.011 176.189 176.117 0.102 0.000 1.007 3447 I CA -0.952 60.420 61.300 0.120 0.000 1.167 3447 I CB 0.682 38.779 38.000 0.162 0.000 1.320 3447 I HN 0.440 nan 8.210 nan 0.000 0.458 3448 K N 4.788 125.259 120.400 0.119 0.000 3.125 3448 K HA -0.199 4.120 4.320 -0.001 0.000 0.268 3448 K C 0.813 177.443 176.600 0.049 0.000 1.078 3448 K CA 0.865 57.198 56.287 0.077 0.000 0.775 3448 K CB -1.777 30.757 32.500 0.057 0.000 1.253 3448 K HN 1.219 nan 8.250 nan 0.000 0.486 3449 G N -1.721 107.110 108.800 0.052 0.000 2.168 3449 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.263 3449 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.263 3449 G C 0.125 175.031 174.900 0.010 0.000 0.977 3449 G CA 0.290 45.408 45.100 0.030 0.000 0.659 3449 G HN 0.328 nan 8.290 nan 0.000 0.533 3450 V N 0.726 120.645 119.914 0.008 0.000 2.417 3450 V HA 0.510 4.629 4.120 -0.001 0.000 0.291 3450 V C 0.597 176.662 176.094 -0.047 0.000 1.024 3450 V CA -1.002 61.285 62.300 -0.021 0.000 0.861 3450 V CB 1.816 33.631 31.823 -0.014 0.000 0.985 3450 V HN 0.369 nan 8.190 nan 0.000 0.436 3451 K N 4.986 125.332 120.400 -0.090 0.000 2.270 3451 K HA 0.526 4.846 4.320 -0.001 0.000 0.276 3451 K C -0.404 176.053 176.600 -0.238 0.000 1.023 3451 K CA -0.403 55.802 56.287 -0.137 0.000 0.955 3451 K CB 0.628 33.040 32.500 -0.146 0.000 0.975 3451 K HN 0.688 nan 8.250 nan 0.000 0.471 3452 R N 2.927 123.275 120.500 -0.253 0.000 2.740 3452 R HA 0.258 4.597 4.340 -0.001 0.000 0.273 3452 R C -1.089 175.026 176.300 -0.309 0.000 0.998 3452 R CA -0.842 55.046 56.100 -0.353 0.000 0.900 3452 R CB 1.300 31.434 30.300 -0.277 0.000 1.223 3452 R HN 0.579 nan 8.270 nan 0.000 0.466 3453 Y N 0.505 120.531 120.300 -0.456 0.000 2.330 3453 Y HA 0.342 4.892 4.550 -0.001 0.000 0.336 3453 Y C 0.192 175.766 175.900 -0.545 0.000 1.036 3453 Y CA -1.195 56.587 58.100 -0.529 0.000 1.125 3453 Y CB 2.199 40.191 38.460 -0.780 0.000 1.194 3453 Y HN 0.095 nan 8.280 nan 0.000 0.469 3454 V N 5.384 125.124 119.914 -0.290 0.000 2.350 3454 V HA 0.179 4.298 4.120 -0.001 0.000 0.276 3454 V C -0.265 175.683 176.094 -0.243 0.000 1.028 3454 V CA -0.734 61.358 62.300 -0.347 0.000 0.860 3454 V CB 1.242 32.873 31.823 -0.321 0.000 0.990 3454 V HN 0.469 nan 8.190 nan 0.000 0.453 3455 V N 4.919 124.696 119.914 -0.228 0.000 2.318 3455 V HA 0.305 4.424 4.120 -0.001 0.000 0.271 3455 V C 0.080 176.111 176.094 -0.104 0.000 1.030 3455 V CA -0.594 61.634 62.300 -0.120 0.000 0.844 3455 V CB 1.124 32.917 31.823 -0.050 0.000 1.015 3455 V HN 0.780 nan 8.190 nan 0.000 0.460 3456 D N 4.268 124.621 120.400 -0.078 0.000 2.264 3456 D HA 0.666 5.306 4.640 -0.001 0.000 0.250 3456 D C 0.033 176.298 176.300 -0.058 0.000 1.113 3456 D CA 0.370 54.321 54.000 -0.082 0.000 0.871 3456 D CB 2.272 43.035 40.800 -0.060 0.000 1.167 3456 D HN 0.691 nan 8.370 nan 0.000 0.447 3457 A N 1.860 124.619 122.820 -0.102 0.000 2.593 3457 A HA 0.704 5.024 4.320 -0.001 0.000 0.290 3457 A C -0.777 176.777 177.584 -0.051 0.000 1.126 3457 A CA -0.627 51.382 52.037 -0.046 0.000 0.695 3457 A CB 1.997 20.907 19.000 -0.151 0.000 1.290 3457 A HN 0.350 nan 8.150 nan 0.000 0.414 3458 T N 1.313 115.904 114.554 0.062 0.000 2.840 3458 T HA 0.473 4.822 4.350 -0.001 0.000 0.287 3458 T C -0.627 174.132 174.700 0.099 0.000 0.991 3458 T CA -0.283 61.844 62.100 0.044 0.000 0.964 3458 T CB 0.992 69.891 68.868 0.051 0.000 0.954 3458 T HN 0.687 nan 8.240 nan 0.000 0.438 3459 L N 4.451 125.706 121.223 0.053 0.000 2.453 3459 L HA 0.404 4.744 4.340 -0.001 0.000 0.272 3459 L C -0.579 176.336 176.870 0.075 0.000 1.182 3459 L CA 0.046 54.941 54.840 0.092 0.000 0.858 3459 L CB 0.130 42.217 42.059 0.046 0.000 1.120 3459 L HN 0.562 nan 8.230 nan 0.000 0.474 3460 L N 4.550 125.823 121.223 0.082 0.000 2.350 3460 L HA 0.400 4.739 4.340 -0.001 0.000 0.275 3460 L C 0.602 177.493 176.870 0.034 0.000 1.099 3460 L CA -0.257 54.613 54.840 0.050 0.000 0.808 3460 L CB 1.323 43.409 42.059 0.046 0.000 1.149 3460 L HN 0.679 nan 8.230 nan 0.000 0.442 3461 T N 0.000 114.568 114.554 0.023 0.000 3.816 3461 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 3461 T CA 0.000 62.112 62.100 0.020 0.000 1.349 3461 T CB 0.000 68.879 68.868 0.018 0.000 0.612 3461 T HN 0.000 nan 8.240 nan 0.000 0.658