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 1w21_1_D DATA FIRST_RESID 3088 DATA SEQUENCE RTFLNLTKPL cEVNSWHILS KDNAIRIGED AHILVTREPY LScDPQGcRM DATA SEQUENCE FALSQGTTLR GRHANGTIHD RSPFRALISW EMGQAPSPYN TRVEcIGWSS DATA SEQUENCE TScHDGMSRM SIcMSGPNNN ASAVVWYGGR PITEIPSWAG NILRTQESEc DATA SEQUENCE VcHKGVcPVV MTDGPANNRA ATKIIYFKEG KIQKIEELAG NAQHIEEcSc DATA SEQUENCE YGAGGVIKcI cRDNWKGANR PVITIDPEMM THTSKYLcSK VLTDTSRPND DATA SEQUENCE PTNGNcDAPI TGGSPDPGVK GFAFLDGENS WLGRTISKDS RSGYEMLKVP DATA SEQUENCE NAETDIQSGP ISNQVIVNNQ NWSGYSGAFI DYWANKEcFN PcFYVELIRG DATA SEQUENCE RPKESSVLWT SNSIVALcGS KKRLGSWSWH DGAEIIYFE 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 3088 R HA 0.000 nan 4.340 nan 0.000 0.208 3088 R C 0.000 176.305 176.300 0.009 0.000 0.893 3088 R CA 0.000 56.119 56.100 0.032 0.000 0.921 3088 R CB 0.000 30.313 30.300 0.022 0.000 0.687 3089 T N -1.350 113.238 114.554 0.058 0.000 2.843 3089 T HA 0.534 4.884 4.350 -0.000 0.000 0.302 3089 T C -0.257 174.523 174.700 0.134 0.000 1.232 3089 T CA -0.806 61.298 62.100 0.008 0.000 1.009 3089 T CB 0.940 69.845 68.868 0.061 0.000 1.254 3089 T HN 0.276 nan 8.240 nan 0.000 0.504 3090 F N 1.118 121.154 119.950 0.144 0.000 2.607 3090 F HA 0.252 4.779 4.527 -0.000 0.000 0.374 3090 F C 0.948 176.839 175.800 0.152 0.000 1.104 3090 F CA -1.050 57.038 58.000 0.147 0.000 1.296 3090 F CB 0.496 39.539 39.000 0.071 0.000 1.085 3090 F HN 0.472 nan 8.300 nan 0.000 0.584 3091 L N 5.228 126.708 121.223 0.429 0.000 2.416 3091 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 3091 L C -0.663 176.256 176.870 0.082 0.000 1.161 3091 L CA -0.150 54.816 54.840 0.209 0.000 0.845 3091 L CB 0.215 42.321 42.059 0.079 0.000 1.119 3091 L HN 0.440 nan 8.230 nan 0.000 0.464 3092 N N 5.420 124.169 118.700 0.082 0.000 2.314 3092 N HA 0.335 5.075 4.740 -0.000 0.000 0.294 3092 N C -0.763 174.931 175.510 0.306 0.000 1.029 3092 N CA -0.408 52.699 53.050 0.096 0.000 0.845 3092 N CB 1.967 40.470 38.487 0.028 0.000 1.321 3092 N HN 0.633 nan 8.380 nan 0.000 0.481 3093 L N 1.608 123.143 121.223 0.521 0.000 2.672 3093 L HA 0.113 4.453 4.340 -0.000 0.000 0.238 3093 L C 1.558 178.665 176.870 0.395 0.000 1.392 3093 L CA -0.040 55.076 54.840 0.460 0.000 1.238 3093 L CB -0.931 41.263 42.059 0.225 0.000 1.548 3093 L HN 0.636 nan 8.230 nan 0.000 0.423 3094 T N -3.779 110.952 114.554 0.296 0.000 3.081 3094 T HA 0.075 4.425 4.350 -0.000 0.000 0.255 3094 T C 0.828 175.478 174.700 -0.084 0.000 1.113 3094 T CA 0.112 62.275 62.100 0.105 0.000 1.082 3094 T CB 0.109 69.029 68.868 0.087 0.000 0.939 3094 T HN 0.282 nan 8.240 nan 0.000 0.506 3095 K N 2.280 122.448 120.400 -0.387 0.000 2.118 3095 K HA 0.509 4.828 4.320 -0.000 0.000 0.254 3095 K C -2.799 173.554 176.600 -0.412 0.000 0.961 3095 K CA -2.545 53.358 56.287 -0.641 0.000 0.876 3095 K CB 1.313 33.054 32.500 -1.266 0.000 1.077 3095 K HN 0.084 nan 8.250 nan 0.000 0.440 3096 P HA 0.186 nan 4.420 nan 0.000 0.281 3096 P C -0.444 176.849 177.300 -0.011 0.000 1.264 3096 P CA -0.576 62.495 63.100 -0.048 0.000 0.824 3096 P CB 0.716 32.397 31.700 -0.032 0.000 1.092 3097 L N 0.863 122.148 121.223 0.104 0.000 2.485 3097 L HA 0.044 4.384 4.340 -0.000 0.000 0.275 3097 L C 0.815 177.685 176.870 -0.000 0.000 1.207 3097 L CA -0.094 54.798 54.840 0.086 0.000 0.855 3097 L CB 0.043 42.164 42.059 0.104 0.000 1.114 3097 L HN 0.447 nan 8.230 nan 0.000 0.485 3098 c N 2.438 121.009 118.600 -0.048 0.000 2.700 3098 c HA 0.049 4.619 4.570 -0.000 0.000 0.397 3098 c C 0.868 174.912 174.090 -0.077 0.000 1.301 3098 c CA -0.607 55.678 56.329 -0.073 0.000 2.219 3098 c CB 0.188 42.637 42.510 -0.103 0.000 2.699 3098 c HN 0.731 nan 8.230 nan 0.000 0.669 3099 E N 0.504 120.669 120.200 -0.059 0.000 2.392 3099 E HA 0.357 4.707 4.350 -0.000 0.000 0.264 3099 E C -1.262 175.282 176.600 -0.093 0.000 1.024 3099 E CA -0.048 56.330 56.400 -0.037 0.000 0.903 3099 E CB 0.568 30.255 29.700 -0.021 0.000 0.963 3099 E HN 0.497 nan 8.360 nan 0.000 0.432 3100 V N 5.193 125.082 119.914 -0.042 0.000 2.525 3100 V HA 0.212 4.332 4.120 -0.000 0.000 0.299 3100 V C 0.071 176.222 176.094 0.095 0.000 1.034 3100 V CA -0.796 61.387 62.300 -0.195 0.000 0.863 3100 V CB 1.664 33.142 31.823 -0.574 0.000 0.999 3100 V HN 0.754 nan 8.190 nan 0.000 0.423 3101 N N 1.920 120.601 118.700 -0.032 0.000 2.210 3101 N HA 0.150 4.890 4.740 -0.000 0.000 0.203 3101 N C 0.385 175.998 175.510 0.171 0.000 1.175 3101 N CA 0.579 53.745 53.050 0.193 0.000 0.894 3101 N CB 1.433 39.976 38.487 0.093 0.000 1.041 3101 N HN 0.802 nan 8.380 nan 0.000 0.506 3102 S N -1.020 114.529 115.700 -0.252 0.000 2.661 3102 S HA 0.589 5.059 4.470 -0.000 0.000 0.268 3102 S C -2.243 171.920 174.600 -0.728 0.000 1.162 3102 S CA -0.928 57.105 58.200 -0.277 0.000 0.817 3102 S CB 1.000 64.219 63.200 0.031 0.000 1.141 3102 S HN 0.131 nan 8.310 nan 0.000 0.477 3103 W N 1.334 122.579 121.300 -0.091 0.000 2.600 3103 W HA 0.621 5.281 4.660 -0.000 0.000 0.325 3103 W C -0.062 176.453 176.519 -0.007 0.000 1.034 3103 W CA -0.340 56.945 57.345 -0.100 0.000 1.226 3103 W CB 1.061 30.507 29.460 -0.023 0.000 1.379 3103 W HN 0.998 nan 8.180 nan 0.000 0.466 3104 H N 0.590 119.736 119.070 0.127 0.000 2.483 3104 H HA 0.608 5.164 4.556 -0.000 0.000 0.338 3104 H C -0.463 174.874 175.328 0.015 0.000 1.152 3104 H CA -1.260 54.835 56.048 0.078 0.000 1.264 3104 H CB 1.147 30.916 29.762 0.012 0.000 1.510 3104 H HN 0.399 nan 8.280 nan 0.000 0.530 3105 I N 3.351 123.978 120.570 0.093 0.000 2.618 3105 I HA -0.026 4.144 4.170 -0.000 0.000 0.284 3105 I C 0.246 176.343 176.117 -0.033 0.000 1.146 3105 I CA 0.038 61.218 61.300 -0.200 0.000 1.425 3105 I CB 0.150 37.884 38.000 -0.442 0.000 1.383 3105 I HN 0.816 nan 8.210 nan 0.000 0.562 3106 L N 5.848 126.956 121.223 -0.192 0.000 2.349 3106 L HA 0.442 4.782 4.340 -0.000 0.000 0.200 3106 L C 0.496 177.321 176.870 -0.075 0.000 1.064 3106 L CA 0.865 55.677 54.840 -0.047 0.000 0.821 3106 L CB 0.022 42.049 42.059 -0.054 0.000 1.027 3106 L HN 0.678 nan 8.230 nan 0.000 0.476 3107 S N -0.978 114.627 115.700 -0.159 0.000 2.552 3107 S HA 0.521 4.991 4.470 -0.000 0.000 0.272 3107 S C -1.557 172.945 174.600 -0.164 0.000 1.150 3107 S CA -0.798 57.328 58.200 -0.123 0.000 0.849 3107 S CB 1.038 64.190 63.200 -0.080 0.000 1.113 3107 S HN 0.145 nan 8.310 nan 0.000 0.458 3108 K N 1.464 121.810 120.400 -0.089 0.000 2.550 3108 K HA 0.347 4.667 4.320 -0.000 0.000 0.252 3108 K C -0.901 175.719 176.600 0.034 0.000 0.943 3108 K CA -0.495 55.773 56.287 -0.032 0.000 0.806 3108 K CB 1.087 33.585 32.500 -0.004 0.000 1.289 3108 K HN 0.679 nan 8.250 nan 0.000 0.435 3109 D N 2.694 123.133 120.400 0.065 0.000 2.389 3109 D HA -0.034 4.606 4.640 -0.000 0.000 0.206 3109 D C -0.295 176.053 176.300 0.080 0.000 1.055 3109 D CA 0.055 54.110 54.000 0.092 0.000 0.856 3109 D CB 0.039 40.935 40.800 0.160 0.000 0.957 3109 D HN 0.647 nan 8.370 nan 0.000 0.509 3110 N N 0.554 119.304 118.700 0.084 0.000 2.710 3110 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 3110 N C 1.096 176.649 175.510 0.071 0.000 1.059 3110 N CA 0.719 53.820 53.050 0.085 0.000 0.720 3110 N CB -1.089 37.447 38.487 0.082 0.000 0.983 3110 N HN 0.463 nan 8.380 nan 0.000 0.544 3111 A N 0.338 123.193 122.820 0.058 0.000 1.908 3111 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 3111 A C 2.190 179.787 177.584 0.022 0.000 1.181 3111 A CA 1.270 53.314 52.037 0.011 0.000 0.627 3111 A CB -0.070 18.920 19.000 -0.017 0.000 0.818 3111 A HN 0.344 nan 8.150 nan 0.000 0.445 3112 I N -0.600 120.011 120.570 0.068 0.000 2.286 3112 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 3112 I C 2.518 178.795 176.117 0.266 0.000 1.104 3112 I CA 1.194 62.567 61.300 0.121 0.000 1.397 3112 I CB -1.409 36.673 38.000 0.136 0.000 1.072 3112 I HN 0.341 nan 8.210 nan 0.000 0.417 3113 R N 0.667 121.294 120.500 0.211 0.000 2.096 3113 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 3113 R C 2.342 178.712 176.300 0.116 0.000 1.139 3113 R CA 1.495 57.710 56.100 0.192 0.000 0.952 3113 R CB -0.304 30.080 30.300 0.140 0.000 0.854 3113 R HN 0.303 nan 8.270 nan 0.000 0.436 3114 I N -0.575 120.039 120.570 0.074 0.000 2.333 3114 I HA -0.094 4.076 4.170 -0.000 0.000 0.246 3114 I C 2.304 178.426 176.117 0.009 0.000 1.106 3114 I CA 1.154 62.467 61.300 0.022 0.000 1.411 3114 I CB -0.355 37.647 38.000 0.003 0.000 1.082 3114 I HN 0.295 nan 8.210 nan 0.000 0.420 3115 G N 0.002 108.821 108.800 0.031 0.000 2.708 3115 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.210 3115 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.210 3115 G C 1.484 176.436 174.900 0.086 0.000 1.141 3115 G CA 0.147 45.256 45.100 0.016 0.000 0.788 3115 G HN 0.291 nan 8.290 nan 0.000 0.531 3116 E N 0.681 120.936 120.200 0.091 0.000 2.274 3116 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 3116 E C 0.942 177.447 176.600 -0.158 0.000 0.996 3116 E CA 1.153 57.461 56.400 -0.153 0.000 0.840 3116 E CB 0.147 29.595 29.700 -0.420 0.000 0.772 3116 E HN 0.473 nan 8.360 nan 0.000 0.491 3117 D N -1.411 118.933 120.400 -0.093 0.000 2.523 3117 D HA 0.232 4.872 4.640 -0.000 0.000 0.269 3117 D C -0.609 175.630 176.300 -0.101 0.000 1.374 3117 D CA 0.293 54.235 54.000 -0.096 0.000 0.820 3117 D CB 0.734 41.461 40.800 -0.122 0.000 1.211 3117 D HN 0.151 nan 8.370 nan 0.000 0.502 3118 A N -0.498 122.267 122.820 -0.091 0.000 2.387 3118 A HA 0.593 4.913 4.320 -0.000 0.000 0.298 3118 A C -0.934 176.604 177.584 -0.077 0.000 1.165 3118 A CA -0.645 51.296 52.037 -0.160 0.000 0.814 3118 A CB 0.662 19.593 19.000 -0.115 0.000 1.357 3118 A HN 0.349 nan 8.150 nan 0.000 0.443 3119 H N 0.785 119.829 119.070 -0.043 0.000 3.014 3119 H HA 0.291 4.847 4.556 -0.000 0.000 0.266 3119 H C -0.695 174.504 175.328 -0.215 0.000 1.455 3119 H CA -0.326 55.654 56.048 -0.113 0.000 1.402 3119 H CB -0.052 29.655 29.762 -0.092 0.000 1.626 3119 H HN 0.234 nan 8.280 nan 0.000 0.520 3120 I N 3.863 124.383 120.570 -0.083 0.000 2.404 3120 I HA 0.114 4.284 4.170 -0.000 0.000 0.293 3120 I C 0.377 176.360 176.117 -0.223 0.000 0.992 3120 I CA -0.732 60.455 61.300 -0.188 0.000 1.149 3120 I CB 1.551 39.453 38.000 -0.164 0.000 1.315 3120 I HN 0.456 nan 8.210 nan 0.000 0.446 3121 L N 5.526 126.579 121.223 -0.282 0.000 2.456 3121 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 3121 L C 0.133 176.865 176.870 -0.229 0.000 1.189 3121 L CA -0.294 54.393 54.840 -0.255 0.000 0.846 3121 L CB 0.641 42.524 42.059 -0.293 0.000 1.111 3121 L HN 0.234 nan 8.230 nan 0.000 0.475 3122 V N 2.268 122.074 119.914 -0.181 0.000 2.555 3122 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 3122 V C 0.611 176.645 176.094 -0.099 0.000 1.044 3122 V CA -0.062 62.146 62.300 -0.153 0.000 1.026 3122 V CB 1.109 32.867 31.823 -0.108 0.000 0.981 3122 V HN 1.010 nan 8.190 nan 0.000 0.480 3123 T N 3.595 118.104 114.554 -0.075 0.000 2.742 3123 T HA 0.837 5.187 4.350 -0.000 0.000 0.282 3123 T C -0.493 174.212 174.700 0.008 0.000 1.025 3123 T CA -0.965 61.120 62.100 -0.025 0.000 1.020 3123 T CB 2.562 71.417 68.868 -0.022 0.000 1.317 3123 T HN 0.586 nan 8.240 nan 0.000 0.538 3124 R N -0.849 119.667 120.500 0.027 0.000 2.789 3124 R HA 0.359 4.698 4.340 -0.000 0.000 0.279 3124 R C -1.386 174.936 176.300 0.037 0.000 1.010 3124 R CA -0.727 55.377 56.100 0.007 0.000 0.855 3124 R CB 0.911 31.185 30.300 -0.043 0.000 1.312 3124 R HN 0.887 nan 8.270 nan 0.000 0.479 3125 E N -0.096 120.100 120.200 -0.006 0.000 2.252 3125 E HA -0.154 4.196 4.350 -0.000 0.000 0.218 3125 E C -2.519 174.226 176.600 0.241 0.000 1.253 3125 E CA 0.664 57.146 56.400 0.137 0.000 0.705 3125 E CB -1.096 28.707 29.700 0.171 0.000 1.172 3125 E HN 0.244 nan 8.360 nan 0.000 0.369 3126 P HA 0.404 nan 4.420 nan 0.000 0.279 3126 P C -0.549 176.636 177.300 -0.191 0.000 1.276 3126 P CA -0.265 62.834 63.100 -0.001 0.000 0.801 3126 P CB 0.746 32.424 31.700 -0.037 0.000 1.127 3127 Y N -2.914 116.998 120.300 -0.646 0.000 2.925 3127 Y HA 0.591 5.141 4.550 -0.000 0.000 0.349 3127 Y C -1.994 173.456 175.900 -0.750 0.000 1.342 3127 Y CA -1.326 56.069 58.100 -1.174 0.000 1.093 3127 Y CB 0.177 38.245 38.460 -0.654 0.000 1.571 3127 Y HN 0.079 nan 8.280 nan 0.000 0.438 3128 L N 1.618 122.495 121.223 -0.576 0.000 2.354 3128 L HA 0.811 5.151 4.340 -0.000 0.000 0.264 3128 L C -0.640 175.973 176.870 -0.428 0.000 1.008 3128 L CA -0.894 53.536 54.840 -0.684 0.000 0.819 3128 L CB 1.869 43.075 42.059 -1.423 0.000 1.339 3128 L HN 0.841 nan 8.230 nan 0.000 0.420 3129 S N 0.140 115.705 115.700 -0.225 0.000 2.543 3129 S HA 0.642 5.112 4.470 -0.000 0.000 0.273 3129 S C -0.958 173.717 174.600 0.125 0.000 1.152 3129 S CA -0.368 57.816 58.200 -0.027 0.000 0.910 3129 S CB 1.288 64.316 63.200 -0.288 0.000 1.105 3129 S HN 0.678 nan 8.310 nan 0.000 0.465 3130 c N 2.641 121.399 118.600 0.263 0.000 2.531 3130 c HA 0.980 5.550 4.570 -0.000 0.000 0.369 3130 c C -0.422 173.666 174.090 -0.003 0.000 1.258 3130 c CA -0.446 56.015 56.329 0.219 0.000 1.876 3130 c CB 1.076 43.821 42.510 0.392 0.000 2.256 3130 c HN 1.033 nan 8.230 nan 0.000 0.510 3131 D N -1.608 118.516 120.400 -0.460 0.000 2.759 3131 D HA 0.369 5.009 4.640 -0.000 0.000 0.321 3131 D C -2.682 172.825 176.300 -1.322 0.000 1.267 3131 D CA -1.114 52.037 54.000 -1.415 0.000 0.933 3131 D CB -0.085 40.049 40.800 -1.110 0.000 1.431 3131 D HN 0.075 nan 8.370 nan 0.000 0.504 3132 P HA -0.142 nan 4.420 nan 0.000 0.217 3132 P C 0.913 178.020 177.300 -0.321 0.000 1.148 3132 P CA 1.645 64.291 63.100 -0.756 0.000 0.828 3132 P CB 0.214 31.590 31.700 -0.541 0.000 0.783 3133 Q N -1.652 117.958 119.800 -0.317 0.000 2.398 3133 Q HA 0.316 4.656 4.340 -0.000 0.000 0.204 3133 Q C 1.187 177.125 176.000 -0.104 0.000 0.932 3133 Q CA 0.817 56.523 55.803 -0.161 0.000 0.916 3133 Q CB 0.114 28.765 28.738 -0.145 0.000 1.024 3133 Q HN 0.230 nan 8.270 nan 0.000 0.504 3134 G N -2.011 106.720 108.800 -0.116 0.000 2.368 3134 G HA2 0.204 4.164 3.960 -0.000 0.000 0.269 3134 G HA3 0.204 4.164 3.960 -0.000 0.000 0.269 3134 G C -1.474 173.415 174.900 -0.020 0.000 1.291 3134 G CA -0.505 44.572 45.100 -0.038 0.000 0.903 3134 G HN 0.052 nan 8.290 nan 0.000 0.483 3135 c N -0.158 118.438 118.600 -0.006 0.000 2.614 3135 c HA 0.961 5.531 4.570 -0.000 0.000 0.320 3135 c C 0.345 174.376 174.090 -0.098 0.000 1.200 3135 c CA -0.606 55.719 56.329 -0.008 0.000 1.700 3135 c CB 1.395 43.935 42.510 0.049 0.000 2.275 3135 c HN 0.814 nan 8.230 nan 0.000 0.492 3136 R N 0.963 121.388 120.500 -0.125 0.000 2.867 3136 R HA 0.703 5.043 4.340 -0.000 0.000 0.268 3136 R C -1.038 175.000 176.300 -0.437 0.000 1.014 3136 R CA -0.654 55.264 56.100 -0.304 0.000 0.946 3136 R CB 1.530 31.626 30.300 -0.339 0.000 1.208 3136 R HN 0.618 nan 8.270 nan 0.000 0.477 3137 M N 1.345 120.405 119.600 -0.900 0.000 2.409 3137 M HA 0.471 4.951 4.480 -0.000 0.000 0.329 3137 M C -1.188 174.193 176.300 -1.532 0.000 1.180 3137 M CA -0.188 54.407 55.300 -1.174 0.000 1.053 3137 M CB 0.965 32.584 32.600 -1.634 0.000 1.586 3137 M HN 0.328 nan 8.290 nan 0.000 0.461 3138 F N 0.553 119.736 119.950 -1.278 0.000 2.603 3138 F HA 0.888 5.415 4.527 -0.000 0.000 0.317 3138 F C -0.164 175.223 175.800 -0.688 0.000 1.066 3138 F CA -0.764 56.616 58.000 -1.032 0.000 0.941 3138 F CB 2.084 40.188 39.000 -1.493 0.000 1.291 3138 F HN 0.641 nan 8.300 nan 0.000 0.472 3139 A N 0.869 123.642 122.820 -0.077 0.000 2.544 3139 A HA 0.666 4.986 4.320 -0.000 0.000 0.291 3139 A C -2.249 175.400 177.584 0.107 0.000 1.055 3139 A CA -0.837 51.245 52.037 0.075 0.000 0.651 3139 A CB 0.922 20.056 19.000 0.224 0.000 1.296 3139 A HN 0.664 nan 8.150 nan 0.000 0.431 3140 L N 2.027 123.317 121.223 0.112 0.000 2.268 3140 L HA 0.416 4.756 4.340 -0.000 0.000 0.289 3140 L C 0.969 177.871 176.870 0.054 0.000 1.064 3140 L CA -0.305 54.590 54.840 0.092 0.000 0.824 3140 L CB 1.163 43.295 42.059 0.122 0.000 1.202 3140 L HN 0.741 nan 8.230 nan 0.000 0.433 3141 S N 1.722 117.434 115.700 0.021 0.000 2.576 3141 S HA 0.043 4.513 4.470 -0.000 0.000 0.272 3141 S C 0.892 175.507 174.600 0.025 0.000 1.352 3141 S CA -0.251 57.940 58.200 -0.015 0.000 1.021 3141 S CB 0.760 63.930 63.200 -0.051 0.000 0.887 3141 S HN 0.613 nan 8.310 nan 0.000 0.542 3142 Q N 1.588 121.401 119.800 0.021 0.000 2.282 3142 Q HA 0.186 4.526 4.340 -0.000 0.000 0.206 3142 Q C 1.057 177.109 176.000 0.088 0.000 0.878 3142 Q CA 0.588 56.436 55.803 0.075 0.000 0.944 3142 Q CB 0.515 29.296 28.738 0.072 0.000 1.100 3142 Q HN 1.135 nan 8.270 nan 0.000 0.509 3143 G N 2.094 110.909 108.800 0.025 0.000 2.298 3143 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.287 3143 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.287 3143 G C 0.024 174.884 174.900 -0.066 0.000 1.075 3143 G CA 0.985 46.082 45.100 -0.005 0.000 0.960 3143 G HN 0.369 nan 8.290 nan 0.000 0.502 3144 T N -1.534 112.977 114.554 -0.073 0.000 2.733 3144 T HA 0.733 5.083 4.350 -0.000 0.000 0.312 3144 T C 0.284 174.919 174.700 -0.108 0.000 1.590 3144 T CA 0.898 62.951 62.100 -0.079 0.000 1.005 3144 T CB 1.144 70.010 68.868 -0.004 0.000 1.528 3144 T HN 1.372 nan 8.240 nan 0.000 0.496 3145 T N 1.410 115.896 114.554 -0.113 0.000 2.902 3145 T HA 0.494 4.843 4.350 -0.000 0.000 0.280 3145 T C 1.408 176.011 174.700 -0.160 0.000 0.992 3145 T CA -0.629 61.385 62.100 -0.144 0.000 1.015 3145 T CB 1.053 69.843 68.868 -0.129 0.000 1.044 3145 T HN 0.505 nan 8.240 nan 0.000 0.520 3146 L N 0.516 121.604 121.223 -0.226 0.000 2.017 3146 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 3146 L C 2.503 179.187 176.870 -0.309 0.000 1.073 3146 L CA 1.680 56.281 54.840 -0.399 0.000 0.745 3146 L CB -0.715 41.085 42.059 -0.431 0.000 0.894 3146 L HN 0.547 nan 8.230 nan 0.000 0.432 3147 R N 0.397 120.836 120.500 -0.103 0.000 2.276 3147 R HA 0.184 4.524 4.340 -0.000 0.000 0.203 3147 R C 0.868 177.171 176.300 0.005 0.000 1.017 3147 R CA 0.518 56.622 56.100 0.007 0.000 1.010 3147 R CB -1.209 29.121 30.300 0.051 0.000 0.900 3147 R HN 0.462 nan 8.270 nan 0.000 0.469 3148 G N 0.017 108.799 108.800 -0.029 0.000 2.554 3148 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.238 3148 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.238 3148 G C 0.601 175.494 174.900 -0.012 0.000 1.259 3148 G CA -0.462 44.629 45.100 -0.015 0.000 0.843 3148 G HN 0.193 nan 8.290 nan 0.000 0.582 3149 R N -0.535 119.924 120.500 -0.068 0.000 2.193 3149 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 3149 R C 1.598 177.803 176.300 -0.159 0.000 1.110 3149 R CA 0.896 56.919 56.100 -0.127 0.000 0.988 3149 R CB -0.060 30.110 30.300 -0.216 0.000 0.871 3149 R HN 0.640 nan 8.270 nan 0.000 0.458 3150 H N -0.507 118.549 119.070 -0.024 0.000 2.556 3150 H HA 0.133 4.688 4.556 -0.000 0.000 0.268 3150 H C 1.718 177.048 175.328 0.003 0.000 0.996 3150 H CA 0.715 56.745 56.048 -0.030 0.000 1.157 3150 H CB 0.289 30.004 29.762 -0.078 0.000 1.355 3150 H HN 0.244 nan 8.280 nan 0.000 0.597 3151 A N 1.517 124.396 122.820 0.098 0.000 2.121 3151 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 3151 A C 1.370 179.064 177.584 0.183 0.000 1.154 3151 A CA 0.388 52.483 52.037 0.098 0.000 0.679 3151 A CB -0.601 18.396 19.000 -0.005 0.000 0.795 3151 A HN 0.317 nan 8.150 nan 0.000 0.458 3152 N N -0.294 118.491 118.700 0.142 0.000 2.475 3152 N HA 0.366 5.106 4.740 -0.000 0.000 0.267 3152 N C 0.842 176.411 175.510 0.099 0.000 1.169 3152 N CA 1.276 54.399 53.050 0.122 0.000 0.947 3152 N CB 0.427 38.954 38.487 0.067 0.000 1.061 3152 N HN 0.606 nan 8.380 nan 0.000 0.466 3153 G N 1.969 110.824 108.800 0.092 0.000 2.176 3153 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.232 3153 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.232 3153 G C 0.714 175.686 174.900 0.120 0.000 0.986 3153 G CA 0.461 45.610 45.100 0.081 0.000 0.643 3153 G HN 0.862 nan 8.290 nan 0.000 0.522 3154 T N -0.870 113.769 114.554 0.142 0.000 3.215 3154 T HA 0.326 4.676 4.350 -0.000 0.000 0.254 3154 T C 2.124 176.895 174.700 0.119 0.000 1.149 3154 T CA 0.793 62.981 62.100 0.147 0.000 1.042 3154 T CB 0.165 69.120 68.868 0.145 0.000 0.966 3154 T HN 0.606 nan 8.240 nan 0.000 0.534 3155 I N 0.587 121.214 120.570 0.095 0.000 2.614 3155 I HA -0.058 4.112 4.170 -0.000 0.000 0.258 3155 I C 1.014 177.169 176.117 0.063 0.000 1.189 3155 I CA 0.457 61.788 61.300 0.051 0.000 1.462 3155 I CB -0.187 37.822 38.000 0.015 0.000 1.092 3155 I HN 0.303 nan 8.210 nan 0.000 0.442 3156 H N 1.625 120.696 119.070 0.002 0.000 3.004 3156 H HA -0.049 4.507 4.556 -0.000 0.000 0.316 3156 H C 0.899 176.212 175.328 -0.025 0.000 1.014 3156 H CA 0.551 56.589 56.048 -0.016 0.000 1.454 3156 H CB 0.498 30.259 29.762 -0.002 0.000 1.472 3156 H HN 0.215 nan 8.280 nan 0.000 0.571 3157 D N 4.429 124.592 120.400 -0.394 0.000 2.194 3157 D HA -0.027 4.613 4.640 -0.000 0.000 0.204 3157 D C 0.122 176.257 176.300 -0.275 0.000 0.964 3157 D CA 1.080 54.918 54.000 -0.269 0.000 0.846 3157 D CB 0.349 40.995 40.800 -0.257 0.000 0.962 3157 D HN 0.501 nan 8.370 nan 0.000 0.490 3158 R N -0.204 119.995 120.500 -0.502 0.000 2.575 3158 R HA 0.531 4.871 4.340 -0.000 0.000 0.293 3158 R C -0.619 175.606 176.300 -0.124 0.000 0.983 3158 R CA -0.443 55.389 56.100 -0.447 0.000 0.887 3158 R CB 2.431 32.069 30.300 -1.103 0.000 1.184 3158 R HN -0.014 nan 8.270 nan 0.000 0.445 3159 S N 0.830 116.544 115.700 0.023 0.000 2.611 3159 S HA 0.410 4.880 4.470 -0.000 0.000 0.268 3159 S C -2.670 171.790 174.600 -0.234 0.000 1.156 3159 S CA -1.177 56.946 58.200 -0.129 0.000 0.817 3159 S CB 1.997 65.121 63.200 -0.127 0.000 1.122 3159 S HN 0.315 nan 8.310 nan 0.000 0.466 3160 P HA 0.302 nan 4.420 nan 0.000 0.249 3160 P C -0.013 177.009 177.300 -0.465 0.000 1.241 3160 P CA 0.319 63.107 63.100 -0.520 0.000 0.781 3160 P CB -0.479 30.923 31.700 -0.496 0.000 1.088 3161 F N -1.371 118.626 119.950 0.078 0.000 2.661 3161 F HA 0.282 4.809 4.527 -0.000 0.000 0.306 3161 F C 1.229 177.046 175.800 0.029 0.000 1.094 3161 F CA -0.719 57.298 58.000 0.028 0.000 1.254 3161 F CB 0.179 39.177 39.000 -0.003 0.000 1.040 3161 F HN -0.319 nan 8.300 nan 0.000 0.562 3162 R N 1.572 122.136 120.500 0.108 0.000 2.532 3162 R HA 0.825 5.165 4.340 -0.000 0.000 0.272 3162 R C -0.481 175.842 176.300 0.039 0.000 1.032 3162 R CA -0.501 55.656 56.100 0.095 0.000 1.089 3162 R CB 1.409 31.793 30.300 0.140 0.000 1.098 3162 R HN 0.137 nan 8.270 nan 0.000 0.526 3163 A N 1.479 124.310 122.820 0.018 0.000 2.605 3163 A HA 0.327 4.647 4.320 -0.000 0.000 0.294 3163 A C -1.671 175.900 177.584 -0.022 0.000 1.062 3163 A CA -0.790 51.228 52.037 -0.031 0.000 0.682 3163 A CB 1.304 20.272 19.000 -0.052 0.000 1.278 3163 A HN 0.543 nan 8.150 nan 0.000 0.410 3164 L N 2.809 124.006 121.223 -0.044 0.000 2.360 3164 L HA 0.701 5.041 4.340 -0.000 0.000 0.276 3164 L C -0.229 176.613 176.870 -0.047 0.000 1.121 3164 L CA 0.198 55.036 54.840 -0.002 0.000 0.845 3164 L CB 0.035 42.107 42.059 0.021 0.000 1.143 3164 L HN 0.574 nan 8.230 nan 0.000 0.452 3165 I N 1.987 122.547 120.570 -0.017 0.000 2.740 3165 I HA 0.863 5.033 4.170 -0.000 0.000 0.303 3165 I C -0.360 175.681 176.117 -0.126 0.000 1.044 3165 I CA -0.585 60.687 61.300 -0.047 0.000 1.064 3165 I CB 2.133 40.131 38.000 -0.004 0.000 1.249 3165 I HN 0.664 nan 8.210 nan 0.000 0.433 3166 S N 2.574 118.105 115.700 -0.282 0.000 2.632 3166 S HA 0.903 5.373 4.470 -0.000 0.000 0.289 3166 S C -1.362 173.115 174.600 -0.204 0.000 1.115 3166 S CA -0.610 57.147 58.200 -0.738 0.000 0.889 3166 S CB 1.752 64.065 63.200 -1.479 0.000 1.116 3166 S HN 1.106 nan 8.310 nan 0.000 0.486 3167 W N -0.396 120.586 121.300 -0.530 0.000 3.057 3167 W HA 0.599 5.259 4.660 -0.000 0.000 0.328 3167 W C -1.215 175.145 176.519 -0.264 0.000 1.232 3167 W CA -0.797 56.355 57.345 -0.323 0.000 1.187 3167 W CB 0.302 29.613 29.460 -0.248 0.000 1.417 3167 W HN 0.867 nan 8.180 nan 0.000 0.569 3168 E N 2.926 123.117 120.200 -0.015 0.000 2.465 3168 E HA 0.010 4.360 4.350 -0.000 0.000 0.260 3168 E C 0.233 176.764 176.600 -0.114 0.000 0.980 3168 E CA -0.317 56.034 56.400 -0.081 0.000 0.927 3168 E CB 0.545 30.241 29.700 -0.007 0.000 0.934 3168 E HN 0.643 nan 8.360 nan 0.000 0.459 3169 M N 4.905 124.391 119.600 -0.191 0.000 2.290 3169 M HA -0.034 4.445 4.480 -0.000 0.000 0.356 3169 M C 0.958 177.221 176.300 -0.063 0.000 1.448 3169 M CA 1.868 57.052 55.300 -0.194 0.000 0.993 3169 M CB -0.072 32.438 32.600 -0.151 0.000 1.934 3169 M HN 0.878 nan 8.290 nan 0.000 0.461 3170 G N 2.785 111.572 108.800 -0.021 0.000 2.308 3170 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.221 3170 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.221 3170 G C 0.010 174.975 174.900 0.107 0.000 1.032 3170 G CA 0.056 45.179 45.100 0.039 0.000 0.623 3170 G HN 0.668 nan 8.290 nan 0.000 0.506 3171 Q N 0.904 120.804 119.800 0.167 0.000 2.454 3171 Q HA 0.573 4.913 4.340 -0.000 0.000 0.247 3171 Q C 0.566 176.690 176.000 0.207 0.000 1.028 3171 Q CA 0.229 56.132 55.803 0.166 0.000 0.910 3171 Q CB 0.954 29.795 28.738 0.172 0.000 1.276 3171 Q HN 0.823 nan 8.270 nan 0.000 0.489 3172 A N 2.600 125.422 122.820 0.003 0.000 2.304 3172 A HA 0.449 4.769 4.320 -0.000 0.000 0.301 3172 A C -2.224 175.038 177.584 -0.538 0.000 1.132 3172 A CA -1.601 50.349 52.037 -0.146 0.000 0.819 3172 A CB 0.158 19.092 19.000 -0.110 0.000 1.094 3172 A HN 0.458 nan 8.150 nan 0.000 0.492 3173 P HA 0.147 nan 4.420 nan 0.000 0.274 3173 P C -0.260 176.632 177.300 -0.681 0.000 1.291 3173 P CA 0.269 62.569 63.100 -1.335 0.000 0.815 3173 P CB 0.681 31.338 31.700 -1.738 0.000 0.897 3174 S N 3.733 119.113 115.700 -0.533 0.000 2.704 3174 S HA 0.600 5.070 4.470 -0.000 0.000 0.305 3174 S C -2.066 172.246 174.600 -0.480 0.000 1.107 3174 S CA -1.844 56.094 58.200 -0.438 0.000 0.993 3174 S CB 1.278 64.279 63.200 -0.331 0.000 1.110 3174 S HN 0.044 nan 8.310 nan 0.000 0.534 3175 P HA 0.052 nan 4.420 nan 0.000 0.228 3175 P C 0.113 177.151 177.300 -0.436 0.000 1.151 3175 P CA 0.996 63.764 63.100 -0.553 0.000 0.770 3175 P CB -0.301 31.004 31.700 -0.658 0.000 0.786 3176 Y N -0.870 119.377 120.300 -0.088 0.000 2.478 3176 Y HA 0.152 4.702 4.550 -0.000 0.000 0.261 3176 Y C 1.542 177.398 175.900 -0.073 0.000 1.127 3176 Y CA -0.183 57.877 58.100 -0.067 0.000 1.288 3176 Y CB -0.203 38.229 38.460 -0.046 0.000 1.084 3176 Y HN 0.078 nan 8.280 nan 0.000 0.530 3177 N N -0.353 118.338 118.700 -0.016 0.000 2.240 3177 N HA 0.036 4.776 4.740 -0.000 0.000 0.240 3177 N C -0.643 174.846 175.510 -0.035 0.000 1.277 3177 N CA 0.030 53.074 53.050 -0.011 0.000 0.873 3177 N CB -0.233 38.248 38.487 -0.010 0.000 1.222 3177 N HN 0.038 nan 8.380 nan 0.000 0.507 3178 T N -1.551 112.952 114.554 -0.084 0.000 2.855 3178 T HA 0.490 4.840 4.350 -0.000 0.000 0.281 3178 T C -0.275 174.382 174.700 -0.071 0.000 1.007 3178 T CA -0.898 61.158 62.100 -0.074 0.000 1.009 3178 T CB 2.528 71.290 68.868 -0.176 0.000 0.983 3178 T HN 0.202 nan 8.240 nan 0.000 0.455 3179 R N 2.015 122.469 120.500 -0.077 0.000 2.346 3179 R HA 0.562 4.902 4.340 -0.000 0.000 0.311 3179 R C -1.152 175.066 176.300 -0.136 0.000 0.983 3179 R CA -0.701 55.335 56.100 -0.107 0.000 0.880 3179 R CB 1.070 31.295 30.300 -0.124 0.000 1.100 3179 R HN 0.585 nan 8.270 nan 0.000 0.453 3180 V N 5.486 125.315 119.914 -0.141 0.000 2.427 3180 V HA 0.054 4.174 4.120 -0.000 0.000 0.268 3180 V C 0.910 176.840 176.094 -0.273 0.000 1.046 3180 V CA -0.056 62.136 62.300 -0.180 0.000 0.970 3180 V CB 1.285 33.011 31.823 -0.162 0.000 1.001 3180 V HN 0.892 nan 8.190 nan 0.000 0.476 3181 E N 2.843 122.869 120.200 -0.289 0.000 2.086 3181 E HA 0.048 4.398 4.350 -0.000 0.000 0.190 3181 E C 0.520 176.638 176.600 -0.805 0.000 0.975 3181 E CA 1.055 57.223 56.400 -0.386 0.000 0.813 3181 E CB 0.425 30.029 29.700 -0.160 0.000 0.768 3181 E HN 0.912 nan 8.360 nan 0.000 0.457 3182 c N -1.111 117.108 118.600 -0.636 0.000 3.259 3182 c HA 0.543 5.113 4.570 -0.000 0.000 0.344 3182 c C -1.003 172.913 174.090 -0.290 0.000 1.401 3182 c CA -1.348 54.546 56.329 -0.725 0.000 1.219 3182 c CB 0.623 42.703 42.510 -0.717 0.000 1.521 3182 c HN 0.017 nan 8.230 nan 0.000 0.455 3183 I N 2.293 122.775 120.570 -0.146 0.000 2.336 3183 I HA 0.804 4.974 4.170 -0.000 0.000 0.292 3183 I C 0.816 176.851 176.117 -0.136 0.000 0.991 3183 I CA 1.037 62.283 61.300 -0.090 0.000 1.227 3183 I CB 0.426 38.411 38.000 -0.024 0.000 1.366 3183 I HN 1.489 nan 8.210 nan 0.000 0.466 3184 G N 6.470 115.172 108.800 -0.164 0.000 2.352 3184 G HA2 0.099 4.059 3.960 -0.000 0.000 0.283 3184 G HA3 0.099 4.059 3.960 -0.000 0.000 0.283 3184 G C -1.225 173.561 174.900 -0.190 0.000 1.308 3184 G CA -0.471 44.417 45.100 -0.352 0.000 0.892 3184 G HN 0.619 nan 8.290 nan 0.000 0.504 3185 W N -0.058 121.237 121.300 -0.009 0.000 2.190 3185 W HA 0.655 5.315 4.660 -0.000 0.000 0.337 3185 W C -0.086 176.439 176.519 0.010 0.000 0.911 3185 W CA -0.013 57.326 57.345 -0.009 0.000 1.925 3185 W CB 0.330 29.766 29.460 -0.040 0.000 1.134 3185 W HN 1.003 nan 8.180 nan 0.000 0.536 3186 S N 1.802 117.598 115.700 0.160 0.000 2.560 3186 S HA 0.553 5.023 4.470 -0.000 0.000 0.283 3186 S C -0.767 173.859 174.600 0.042 0.000 1.141 3186 S CA 0.146 58.460 58.200 0.191 0.000 0.902 3186 S CB 1.376 64.760 63.200 0.306 0.000 1.104 3186 S HN 0.329 nan 8.310 nan 0.000 0.454 3187 S N 2.123 117.874 115.700 0.085 0.000 2.643 3187 S HA 0.889 5.359 4.470 -0.000 0.000 0.270 3187 S C -0.757 173.849 174.600 0.010 0.000 1.166 3187 S CA -0.312 57.922 58.200 0.056 0.000 0.815 3187 S CB 1.565 64.838 63.200 0.122 0.000 1.139 3187 S HN 1.064 nan 8.310 nan 0.000 0.472 3188 T N -0.243 114.306 114.554 -0.009 0.000 2.792 3188 T HA 0.780 5.130 4.350 -0.000 0.000 0.303 3188 T C -1.722 172.956 174.700 -0.037 0.000 1.310 3188 T CA -0.058 61.974 62.100 -0.114 0.000 1.007 3188 T CB 1.499 70.298 68.868 -0.115 0.000 1.335 3188 T HN 1.405 nan 8.240 nan 0.000 0.504 3189 S N 0.031 115.675 115.700 -0.094 0.000 2.543 3189 S HA 0.723 5.193 4.470 -0.000 0.000 0.274 3189 S C -1.526 173.028 174.600 -0.077 0.000 1.149 3189 S CA -0.272 57.879 58.200 -0.082 0.000 0.866 3189 S CB 0.243 63.333 63.200 -0.184 0.000 1.111 3189 S HN 1.475 nan 8.310 nan 0.000 0.457 3190 c N 2.641 121.249 118.600 0.013 0.000 3.302 3190 c HA 0.679 5.249 4.570 -0.000 0.000 0.347 3190 c C -1.262 172.945 174.090 0.196 0.000 1.218 3190 c CA -0.872 55.528 56.329 0.117 0.000 1.234 3190 c CB 0.910 43.496 42.510 0.126 0.000 1.551 3190 c HN 1.003 nan 8.230 nan 0.000 0.501 3191 H N 1.728 120.928 119.070 0.217 0.000 2.476 3191 H HA 0.371 4.927 4.556 -0.000 0.000 0.328 3191 H C -0.093 175.467 175.328 0.388 0.000 1.073 3191 H CA 0.406 56.583 56.048 0.215 0.000 1.229 3191 H CB 1.933 31.711 29.762 0.027 0.000 1.432 3191 H HN 0.950 nan 8.280 nan 0.000 0.477 3192 D N 2.365 122.963 120.400 0.329 0.000 2.328 3192 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 3192 D C 1.462 178.168 176.300 0.676 0.000 1.072 3192 D CA 0.582 54.849 54.000 0.444 0.000 0.850 3192 D CB 0.336 41.341 40.800 0.342 0.000 0.922 3192 D HN 0.866 nan 8.370 nan 0.000 0.516 3193 G N -0.079 109.264 108.800 0.905 0.000 2.279 3193 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.223 3193 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.223 3193 G C 1.020 176.232 174.900 0.521 0.000 1.015 3193 G CA 0.430 45.999 45.100 0.782 0.000 0.621 3193 G HN 0.215 nan 8.290 nan 0.000 0.506 3194 M N 0.093 119.917 119.600 0.373 0.000 2.738 3194 M HA 0.389 4.869 4.480 -0.000 0.000 0.256 3194 M C 0.953 177.223 176.300 -0.049 0.000 1.253 3194 M CA 1.358 56.751 55.300 0.155 0.000 1.223 3194 M CB -0.185 32.458 32.600 0.071 0.000 1.263 3194 M HN 0.205 nan 8.290 nan 0.000 0.521 3195 S N -0.679 114.752 115.700 -0.448 0.000 2.638 3195 S HA 0.547 5.017 4.470 -0.000 0.000 0.274 3195 S C -0.718 173.245 174.600 -1.062 0.000 1.157 3195 S CA -0.847 56.876 58.200 -0.795 0.000 0.826 3195 S CB 3.138 65.764 63.200 -0.958 0.000 1.139 3195 S HN 0.245 nan 8.310 nan 0.000 0.474 3196 R N 1.196 121.314 120.500 -0.637 0.000 2.368 3196 R HA 0.565 4.905 4.340 -0.000 0.000 0.302 3196 R C -0.653 175.581 176.300 -0.110 0.000 1.002 3196 R CA -0.360 55.590 56.100 -0.249 0.000 0.929 3196 R CB 0.762 31.068 30.300 0.011 0.000 1.073 3196 R HN 0.743 nan 8.270 nan 0.000 0.464 3197 M N 3.176 122.828 119.600 0.086 0.000 2.238 3197 M HA 0.318 4.798 4.480 -0.000 0.000 0.350 3197 M C -1.336 175.015 176.300 0.085 0.000 1.138 3197 M CA -0.020 55.384 55.300 0.174 0.000 1.040 3197 M CB 1.634 34.338 32.600 0.173 0.000 1.639 3197 M HN 0.591 nan 8.290 nan 0.000 0.451 3198 S N 5.620 121.383 115.700 0.106 0.000 2.538 3198 S HA 0.729 5.199 4.470 -0.000 0.000 0.288 3198 S C -1.001 173.641 174.600 0.071 0.000 1.108 3198 S CA -0.690 57.547 58.200 0.061 0.000 0.971 3198 S CB 1.562 64.775 63.200 0.022 0.000 1.041 3198 S HN 0.710 nan 8.310 nan 0.000 0.483 3199 I N 1.644 122.224 120.570 0.017 0.000 2.533 3199 I HA 0.506 4.676 4.170 -0.000 0.000 0.290 3199 I C -1.025 175.091 176.117 -0.002 0.000 1.056 3199 I CA -0.502 60.809 61.300 0.017 0.000 1.057 3199 I CB 1.898 39.860 38.000 -0.064 0.000 1.240 3199 I HN 0.512 nan 8.210 nan 0.000 0.423 3200 c N 5.640 124.236 118.600 -0.007 0.000 2.626 3200 c HA 0.676 5.245 4.570 -0.000 0.000 0.310 3200 c C -0.167 173.807 174.090 -0.194 0.000 1.191 3200 c CA -0.589 55.678 56.329 -0.103 0.000 1.517 3200 c CB 1.772 44.210 42.510 -0.120 0.000 2.102 3200 c HN 0.616 nan 8.230 nan 0.000 0.479 3201 M N 2.881 122.244 119.600 -0.395 0.000 2.300 3201 M HA 0.619 5.099 4.480 -0.000 0.000 0.348 3201 M C 0.298 175.852 176.300 -1.242 0.000 1.151 3201 M CA 0.477 55.369 55.300 -0.679 0.000 1.046 3201 M CB 1.631 33.810 32.600 -0.701 0.000 1.647 3201 M HN 0.872 nan 8.290 nan 0.000 0.451 3202 S N 0.969 116.117 115.700 -0.920 0.000 2.671 3202 S HA 1.027 5.497 4.470 -0.000 0.000 0.277 3202 S C -0.246 174.254 174.600 -0.167 0.000 1.165 3202 S CA -0.170 57.512 58.200 -0.864 0.000 0.822 3202 S CB 1.586 64.548 63.200 -0.395 0.000 1.150 3202 S HN 1.587 nan 8.310 nan 0.000 0.479 3203 G N 0.386 109.319 108.800 0.222 0.000 2.434 3203 G HA2 0.178 4.138 3.960 -0.000 0.000 0.671 3203 G HA3 0.178 4.138 3.960 -0.000 0.000 0.671 3203 G C -3.420 171.683 174.900 0.337 0.000 1.280 3203 G CA -0.365 44.876 45.100 0.235 0.000 0.975 3203 G HN 0.840 nan 8.290 nan 0.000 0.510 3204 P HA 0.288 nan 4.420 nan 0.000 0.276 3204 P C 0.561 177.903 177.300 0.068 0.000 1.244 3204 P CA -0.473 62.677 63.100 0.084 0.000 0.801 3204 P CB 0.709 32.437 31.700 0.046 0.000 1.006 3205 N N 1.727 120.414 118.700 -0.022 0.000 2.094 3205 N HA -0.193 4.546 4.740 -0.000 0.000 0.191 3205 N C 1.139 176.637 175.510 -0.020 0.000 1.023 3205 N CA 1.704 54.717 53.050 -0.060 0.000 0.857 3205 N CB -0.930 37.497 38.487 -0.101 0.000 1.013 3205 N HN 0.587 nan 8.380 nan 0.000 0.426 3206 N N -0.479 118.216 118.700 -0.009 0.000 2.383 3206 N HA 0.003 4.742 4.740 -0.000 0.000 0.192 3206 N C -0.317 175.196 175.510 0.005 0.000 1.141 3206 N CA 0.232 53.277 53.050 -0.008 0.000 0.851 3206 N CB -0.030 38.452 38.487 -0.007 0.000 0.976 3206 N HN 0.048 nan 8.380 nan 0.000 0.465 3207 N N -0.308 118.408 118.700 0.026 0.000 2.581 3207 N HA 0.177 4.917 4.740 -0.000 0.000 0.274 3207 N C -1.190 174.350 175.510 0.050 0.000 1.629 3207 N CA -0.101 52.967 53.050 0.030 0.000 0.884 3207 N CB 1.251 39.757 38.487 0.030 0.000 1.423 3207 N HN 0.294 nan 8.380 nan 0.000 0.507 3208 A N 0.736 123.597 122.820 0.068 0.000 2.304 3208 A HA 0.735 5.055 4.320 -0.000 0.000 0.271 3208 A C 0.467 178.045 177.584 -0.010 0.000 1.091 3208 A CA -0.057 52.038 52.037 0.096 0.000 0.812 3208 A CB 0.518 19.669 19.000 0.251 0.000 1.056 3208 A HN 0.273 nan 8.150 nan 0.000 0.489 3209 S N -0.664 115.001 115.700 -0.057 0.000 2.564 3209 S HA 0.782 5.252 4.470 -0.000 0.000 0.274 3209 S C -0.520 174.018 174.600 -0.102 0.000 1.124 3209 S CA -0.151 58.015 58.200 -0.056 0.000 0.869 3209 S CB 1.520 64.707 63.200 -0.021 0.000 1.105 3209 S HN 1.896 nan 8.310 nan 0.000 0.472 3210 A N 1.371 124.162 122.820 -0.049 0.000 2.312 3210 A HA 0.781 5.100 4.320 -0.000 0.000 0.326 3210 A C -0.612 176.977 177.584 0.008 0.000 1.172 3210 A CA -0.800 51.216 52.037 -0.036 0.000 0.821 3210 A CB 0.810 19.822 19.000 0.021 0.000 1.166 3210 A HN 1.017 nan 8.150 nan 0.000 0.493 3211 V N 2.930 122.865 119.914 0.035 0.000 2.448 3211 V HA 0.362 4.482 4.120 -0.000 0.000 0.295 3211 V C -0.272 175.900 176.094 0.130 0.000 1.025 3211 V CA -0.524 61.814 62.300 0.064 0.000 0.859 3211 V CB 1.463 33.371 31.823 0.141 0.000 0.988 3211 V HN 0.627 nan 8.190 nan 0.000 0.431 3212 V N 4.336 124.251 119.914 0.001 0.000 2.407 3212 V HA 0.436 4.556 4.120 -0.000 0.000 0.278 3212 V C -0.716 175.375 176.094 -0.004 0.000 1.037 3212 V CA -0.529 61.753 62.300 -0.031 0.000 0.900 3212 V CB 1.221 32.901 31.823 -0.238 0.000 0.983 3212 V HN 0.860 nan 8.190 nan 0.000 0.459 3213 W N 4.073 125.331 121.300 -0.070 0.000 2.627 3213 W HA 0.674 5.334 4.660 -0.000 0.000 0.339 3213 W C -0.679 175.889 176.519 0.082 0.000 1.058 3213 W CA -0.913 56.433 57.345 0.002 0.000 1.223 3213 W CB 1.166 30.624 29.460 -0.003 0.000 1.389 3213 W HN 0.530 nan 8.180 nan 0.000 0.541 3214 Y N 0.570 120.957 120.300 0.145 0.000 2.401 3214 Y HA 0.455 5.005 4.550 -0.000 0.000 0.330 3214 Y C 0.782 176.732 175.900 0.083 0.000 1.071 3214 Y CA -0.276 57.870 58.100 0.077 0.000 1.049 3214 Y CB 2.003 40.480 38.460 0.027 0.000 1.239 3214 Y HN 0.769 nan 8.280 nan 0.000 0.437 3215 G N 3.108 111.660 108.800 -0.415 0.000 2.225 3215 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.267 3215 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.267 3215 G C 0.974 175.863 174.900 -0.020 0.000 1.024 3215 G CA 0.805 45.742 45.100 -0.271 0.000 0.784 3215 G HN 2.150 nan 8.290 nan 0.000 0.507 3216 G N -1.853 107.007 108.800 0.101 0.000 2.143 3216 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 3216 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 3216 G C 0.248 175.400 174.900 0.421 0.000 0.991 3216 G CA 1.064 46.304 45.100 0.233 0.000 0.689 3216 G HN 1.105 nan 8.290 nan 0.000 0.522 3217 R N 0.416 121.099 120.500 0.304 0.000 2.670 3217 R HA 0.529 4.869 4.340 -0.000 0.000 0.289 3217 R C -2.661 173.490 176.300 -0.247 0.000 0.965 3217 R CA -2.048 54.090 56.100 0.065 0.000 0.899 3217 R CB 2.544 32.853 30.300 0.015 0.000 1.173 3217 R HN 0.088 nan 8.270 nan 0.000 0.456 3218 P HA 0.097 nan 4.420 nan 0.000 0.276 3218 P C -0.154 176.888 177.300 -0.430 0.000 1.230 3218 P CA -0.051 62.413 63.100 -1.061 0.000 0.776 3218 P CB 1.044 32.011 31.700 -1.222 0.000 0.888 3219 I N 1.039 121.438 120.570 -0.285 0.000 3.673 3219 I HA 0.162 4.332 4.170 -0.000 0.000 0.281 3219 I C 0.953 177.011 176.117 -0.098 0.000 1.182 3219 I CA 0.996 62.219 61.300 -0.129 0.000 1.391 3219 I CB -0.598 37.374 38.000 -0.047 0.000 1.383 3219 I HN 0.256 nan 8.210 nan 0.000 0.456 3220 T N 1.656 116.157 114.554 -0.087 0.000 2.903 3220 T HA 0.581 4.931 4.350 -0.000 0.000 0.299 3220 T C -0.955 173.733 174.700 -0.021 0.000 1.093 3220 T CA -0.493 61.597 62.100 -0.016 0.000 1.002 3220 T CB 2.886 71.808 68.868 0.089 0.000 1.127 3220 T HN -0.075 nan 8.240 nan 0.000 0.488 3221 E N 1.063 121.270 120.200 0.011 0.000 2.266 3221 E HA 0.703 5.053 4.350 -0.000 0.000 0.268 3221 E C -1.019 175.623 176.600 0.070 0.000 0.879 3221 E CA -0.598 55.815 56.400 0.022 0.000 0.762 3221 E CB 2.013 31.709 29.700 -0.006 0.000 1.199 3221 E HN 0.462 nan 8.360 nan 0.000 0.422 3222 I N 2.951 123.574 120.570 0.089 0.000 2.468 3222 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 3222 I C -2.382 173.802 176.117 0.112 0.000 1.038 3222 I CA -2.296 59.088 61.300 0.140 0.000 1.083 3222 I CB 1.913 40.052 38.000 0.231 0.000 1.223 3222 I HN 0.290 nan 8.210 nan 0.000 0.443 3223 P HA 0.070 nan 4.420 nan 0.000 0.274 3223 P C -0.086 177.263 177.300 0.082 0.000 1.231 3223 P CA -0.266 62.880 63.100 0.077 0.000 0.790 3223 P CB 1.176 32.923 31.700 0.078 0.000 0.951 3224 S N 1.383 117.068 115.700 -0.024 0.000 2.552 3224 S HA 0.027 4.497 4.470 -0.000 0.000 0.289 3224 S C 0.549 175.148 174.600 -0.002 0.000 1.304 3224 S CA -0.363 57.739 58.200 -0.164 0.000 1.063 3224 S CB -0.308 62.806 63.200 -0.143 0.000 0.848 3224 S HN 0.585 nan 8.310 nan 0.000 0.499 3225 W N 3.200 124.514 121.300 0.023 0.000 3.058 3225 W HA 0.634 5.294 4.660 -0.000 0.000 0.306 3225 W C 0.963 177.489 176.519 0.011 0.000 1.188 3225 W CA 0.013 57.367 57.345 0.014 0.000 1.651 3225 W CB -0.294 29.171 29.460 0.008 0.000 1.051 3225 W HN 0.678 nan 8.180 nan 0.000 0.592 3226 A N 0.535 123.334 122.820 -0.035 0.000 2.600 3226 A HA 0.584 4.903 4.320 -0.000 0.000 0.252 3226 A C 1.666 179.225 177.584 -0.041 0.000 1.200 3226 A CA 0.237 52.285 52.037 0.018 0.000 0.981 3226 A CB -0.524 18.502 19.000 0.043 0.000 1.207 3226 A HN 0.762 nan 8.150 nan 0.000 0.577 3227 G N 0.467 109.222 108.800 -0.074 0.000 2.273 3227 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.280 3227 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.280 3227 G C -0.172 174.694 174.900 -0.057 0.000 1.047 3227 G CA 0.549 45.620 45.100 -0.048 0.000 0.869 3227 G HN 0.825 nan 8.290 nan 0.000 0.502 3228 N N -0.176 118.470 118.700 -0.091 0.000 2.839 3228 N HA 0.281 5.021 4.740 -0.000 0.000 0.230 3228 N C 0.557 176.014 175.510 -0.089 0.000 1.388 3228 N CA -0.260 52.744 53.050 -0.078 0.000 0.747 3228 N CB -0.279 38.169 38.487 -0.066 0.000 1.411 3228 N HN 0.793 nan 8.380 nan 0.000 0.556 3229 I N 0.749 121.281 120.570 -0.063 0.000 6.835 3229 I HA -0.327 3.843 4.170 -0.000 0.000 0.126 3229 I C 0.035 176.166 176.117 0.023 0.000 1.824 3229 I CA 0.023 61.308 61.300 -0.026 0.000 2.065 3229 I CB -0.818 37.097 38.000 -0.141 0.000 3.539 3229 I HN 0.375 nan 8.210 nan 0.000 0.178 3230 L N 5.078 126.282 121.223 -0.031 0.000 2.615 3230 L HA 0.148 4.488 4.340 -0.000 0.000 0.284 3230 L C 0.860 177.761 176.870 0.052 0.000 1.237 3230 L CA 1.091 55.826 54.840 -0.175 0.000 0.905 3230 L CB 0.131 42.002 42.059 -0.315 0.000 1.149 3230 L HN 0.532 nan 8.230 nan 0.000 0.499 3231 R N 2.430 122.934 120.500 0.008 0.000 2.716 3231 R HA 0.704 5.044 4.340 -0.000 0.000 0.271 3231 R C -0.995 175.341 176.300 0.060 0.000 1.028 3231 R CA -0.638 55.533 56.100 0.118 0.000 0.883 3231 R CB 1.386 31.796 30.300 0.182 0.000 1.250 3231 R HN 0.555 nan 8.270 nan 0.000 0.465 3232 T N -1.342 113.256 114.554 0.073 0.000 2.565 3232 T HA 0.178 4.528 4.350 -0.000 0.000 0.266 3232 T C 0.511 175.228 174.700 0.029 0.000 0.905 3232 T CA -0.330 61.795 62.100 0.043 0.000 1.122 3232 T CB 1.460 70.348 68.868 0.033 0.000 1.437 3232 T HN 0.648 nan 8.240 nan 0.000 0.506 3233 Q N -0.055 119.735 119.800 -0.016 0.000 2.084 3233 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 3233 Q C -0.017 175.948 176.000 -0.058 0.000 0.978 3233 Q CA 1.589 57.360 55.803 -0.054 0.000 0.844 3233 Q CB 0.059 28.738 28.738 -0.099 0.000 0.898 3233 Q HN 0.613 nan 8.270 nan 0.000 0.426 3234 E N -0.735 119.409 120.200 -0.093 0.000 3.286 3234 E HA -0.166 4.184 4.350 -0.000 0.000 0.292 3234 E C -0.410 175.984 176.600 -0.342 0.000 0.928 3234 E CA 1.160 57.532 56.400 -0.047 0.000 0.982 3234 E CB -2.117 27.719 29.700 0.227 0.000 1.500 3234 E HN 0.459 nan 8.360 nan 0.000 0.441 3235 S N -1.379 113.937 115.700 -0.640 0.000 2.752 3235 S HA 0.511 4.981 4.470 -0.000 0.000 0.284 3235 S C -0.288 173.860 174.600 -0.753 0.000 1.189 3235 S CA -0.610 57.065 58.200 -0.874 0.000 0.835 3235 S CB 2.066 65.222 63.200 -0.074 0.000 1.192 3235 S HN 0.214 nan 8.310 nan 0.000 0.506 3236 E N -0.036 119.931 120.200 -0.389 0.000 2.398 3236 E HA 0.434 4.784 4.350 -0.000 0.000 0.263 3236 E C 0.459 177.024 176.600 -0.057 0.000 1.046 3236 E CA -0.887 55.414 56.400 -0.164 0.000 0.908 3236 E CB 0.169 29.893 29.700 0.040 0.000 0.963 3236 E HN 0.818 nan 8.360 nan 0.000 0.431 3237 c N 1.542 120.123 118.600 -0.032 0.000 2.517 3237 c HA 0.788 5.358 4.570 -0.000 0.000 0.357 3237 c C 0.138 174.262 174.090 0.056 0.000 1.485 3237 c CA -0.880 55.453 56.329 0.006 0.000 2.148 3237 c CB 0.009 42.523 42.510 0.007 0.000 2.019 3237 c HN 0.605 nan 8.230 nan 0.000 0.576 3238 V N -0.605 119.325 119.914 0.027 0.000 2.888 3238 V HA 0.554 4.674 4.120 -0.000 0.000 0.309 3238 V C -0.443 175.632 176.094 -0.033 0.000 1.114 3238 V CA -0.232 62.051 62.300 -0.027 0.000 0.940 3238 V CB 1.360 33.145 31.823 -0.064 0.000 1.021 3238 V HN 1.191 nan 8.190 nan 0.000 0.426 3239 c N 2.909 121.466 118.600 -0.071 0.000 2.561 3239 c HA 0.741 5.311 4.570 -0.000 0.000 0.319 3239 c C -0.458 173.635 174.090 0.005 0.000 1.198 3239 c CA -0.532 55.796 56.329 -0.002 0.000 1.665 3239 c CB 1.190 43.738 42.510 0.063 0.000 2.258 3239 c HN 1.023 nan 8.230 nan 0.000 0.493 3240 H N 1.528 120.549 119.070 -0.082 0.000 3.096 3240 H HA 0.227 4.783 4.556 -0.000 0.000 0.335 3240 H C -0.436 174.843 175.328 -0.081 0.000 0.990 3240 H CA -0.210 55.800 56.048 -0.064 0.000 1.393 3240 H CB 0.665 30.402 29.762 -0.042 0.000 1.742 3240 H HN 0.901 nan 8.280 nan 0.000 0.501 3241 K N 3.406 123.543 120.400 -0.439 0.000 3.035 3241 K HA -0.247 4.073 4.320 -0.000 0.000 0.262 3241 K C 0.889 177.141 176.600 -0.581 0.000 1.024 3241 K CA 0.929 57.006 56.287 -0.349 0.000 0.748 3241 K CB -1.497 30.797 32.500 -0.343 0.000 1.247 3241 K HN 1.072 nan 8.250 nan 0.000 0.482 3242 G N -1.432 106.885 108.800 -0.804 0.000 2.199 3242 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 3242 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 3242 G C 0.147 174.769 174.900 -0.463 0.000 0.982 3242 G CA 0.072 44.447 45.100 -1.209 0.000 0.632 3242 G HN 0.244 nan 8.290 nan 0.000 0.529 3243 V N 1.317 121.090 119.914 -0.234 0.000 2.364 3243 V HA 0.472 4.592 4.120 -0.000 0.000 0.272 3243 V C 0.449 176.566 176.094 0.037 0.000 1.036 3243 V CA -0.330 61.938 62.300 -0.054 0.000 0.880 3243 V CB 1.324 33.149 31.823 0.003 0.000 0.991 3243 V HN 0.438 nan 8.190 nan 0.000 0.460 3244 c N 7.700 126.352 118.600 0.087 0.000 2.294 3244 c HA 0.446 5.016 4.570 -0.000 0.000 0.319 3244 c C -2.308 171.858 174.090 0.126 0.000 1.164 3244 c CA -1.606 54.787 56.329 0.108 0.000 1.497 3244 c CB 0.375 42.959 42.510 0.123 0.000 2.061 3244 c HN 0.608 nan 8.230 nan 0.000 0.438 3245 P HA 0.367 nan 4.420 nan 0.000 0.271 3245 P C -0.659 176.584 177.300 -0.095 0.000 1.218 3245 P CA 0.054 63.039 63.100 -0.192 0.000 0.780 3245 P CB 0.733 32.269 31.700 -0.274 0.000 0.901 3246 V N 3.131 122.972 119.914 -0.121 0.000 2.760 3246 V HA 0.256 4.376 4.120 -0.000 0.000 0.309 3246 V C -0.228 175.811 176.094 -0.092 0.000 1.077 3246 V CA -0.766 61.525 62.300 -0.015 0.000 0.910 3246 V CB 2.468 34.411 31.823 0.201 0.000 1.008 3246 V HN 0.181 nan 8.190 nan 0.000 0.424 3247 V N 5.840 125.705 119.914 -0.080 0.000 2.407 3247 V HA 0.540 4.660 4.120 -0.000 0.000 0.278 3247 V C 0.059 176.154 176.094 0.002 0.000 1.037 3247 V CA -0.109 62.141 62.300 -0.084 0.000 0.900 3247 V CB 1.192 32.952 31.823 -0.105 0.000 0.983 3247 V HN 0.823 nan 8.190 nan 0.000 0.459 3248 M N 3.370 123.010 119.600 0.067 0.000 2.644 3248 M HA 0.630 5.110 4.480 -0.000 0.000 0.304 3248 M C -0.611 175.809 176.300 0.199 0.000 1.215 3248 M CA -0.389 55.005 55.300 0.157 0.000 0.871 3248 M CB 2.837 35.634 32.600 0.328 0.000 1.740 3248 M HN 0.545 nan 8.290 nan 0.000 0.464 3249 T N 0.237 114.862 114.554 0.118 0.000 2.912 3249 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 3249 T C -1.771 172.895 174.700 -0.057 0.000 1.052 3249 T CA -0.634 61.521 62.100 0.092 0.000 0.996 3249 T CB 2.008 70.865 68.868 -0.017 0.000 1.070 3249 T HN 0.579 nan 8.240 nan 0.000 0.465 3250 D N 0.392 120.741 120.400 -0.086 0.000 2.863 3250 D HA 0.672 5.312 4.640 -0.000 0.000 0.245 3250 D C -0.088 176.155 176.300 -0.096 0.000 1.211 3250 D CA 0.378 54.204 54.000 -0.290 0.000 0.888 3250 D CB 1.620 41.867 40.800 -0.923 0.000 1.483 3250 D HN 1.007 nan 8.370 nan 0.000 0.533 3251 G N 2.625 111.379 108.800 -0.077 0.000 2.361 3251 G HA2 0.086 4.046 3.960 -0.000 0.000 0.331 3251 G HA3 0.086 4.046 3.960 -0.000 0.000 0.331 3251 G C -2.947 171.944 174.900 -0.015 0.000 1.324 3251 G CA -1.038 44.044 45.100 -0.030 0.000 0.984 3251 G HN 0.398 nan 8.290 nan 0.000 0.586 3252 P HA 0.309 nan 4.420 nan 0.000 0.266 3252 P C 0.873 178.192 177.300 0.032 0.000 1.186 3252 P CA 1.048 64.119 63.100 -0.049 0.000 0.767 3252 P CB 0.780 32.395 31.700 -0.141 0.000 0.820 3253 A N 3.077 125.897 122.820 0.001 0.000 2.123 3253 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 3253 A C 1.045 178.560 177.584 -0.116 0.000 1.152 3253 A CA 1.010 53.068 52.037 0.036 0.000 0.728 3253 A CB -0.666 18.349 19.000 0.025 0.000 0.814 3253 A HN 0.681 nan 8.150 nan 0.000 0.464 3254 N N -0.755 117.841 118.700 -0.173 0.000 2.377 3254 N HA 0.152 4.892 4.740 -0.000 0.000 0.259 3254 N C -0.702 174.572 175.510 -0.394 0.000 1.332 3254 N CA -0.320 52.638 53.050 -0.154 0.000 0.877 3254 N CB -0.130 38.341 38.487 -0.026 0.000 1.299 3254 N HN 0.243 nan 8.380 nan 0.000 0.501 3255 N N 0.249 118.439 118.700 -0.849 0.000 3.227 3255 N HA 0.186 4.926 4.740 -0.000 0.000 0.241 3255 N C -1.435 173.270 175.510 -1.342 0.000 1.480 3255 N CA -0.498 51.651 53.050 -1.503 0.000 0.886 3255 N CB 1.925 40.025 38.487 -0.645 0.000 1.406 3255 N HN 0.135 nan 8.380 nan 0.000 0.514 3256 R N 0.599 120.226 120.500 -1.456 0.000 2.583 3256 R HA 0.369 4.709 4.340 -0.000 0.000 0.274 3256 R C -0.403 175.773 176.300 -0.206 0.000 0.998 3256 R CA 0.571 56.295 56.100 -0.627 0.000 1.081 3256 R CB -0.015 30.077 30.300 -0.348 0.000 0.940 3256 R HN 0.533 nan 8.270 nan 0.000 0.413 3257 A N 2.777 125.592 122.820 -0.007 0.000 2.475 3257 A HA 0.756 5.076 4.320 -0.000 0.000 0.281 3257 A C -1.404 176.214 177.584 0.058 0.000 1.263 3257 A CA -0.418 51.630 52.037 0.019 0.000 0.776 3257 A CB 1.640 20.660 19.000 0.032 0.000 1.347 3257 A HN 0.759 nan 8.150 nan 0.000 0.443 3258 A N 0.708 123.604 122.820 0.127 0.000 2.412 3258 A HA 0.617 4.937 4.320 -0.000 0.000 0.334 3258 A C -0.081 177.701 177.584 0.329 0.000 1.419 3258 A CA -0.192 51.985 52.037 0.234 0.000 0.930 3258 A CB -0.528 18.697 19.000 0.375 0.000 1.149 3258 A HN 0.654 nan 8.150 nan 0.000 0.515 3259 T N 2.736 117.379 114.554 0.149 0.000 2.875 3259 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 3259 T C -0.055 174.661 174.700 0.028 0.000 0.995 3259 T CA -0.139 62.030 62.100 0.115 0.000 1.060 3259 T CB 0.823 69.691 68.868 0.000 0.000 0.967 3259 T HN 0.633 nan 8.240 nan 0.000 0.476 3260 K N 2.071 122.485 120.400 0.023 0.000 2.435 3260 K HA 0.605 4.925 4.320 -0.000 0.000 0.251 3260 K C -0.979 175.511 176.600 -0.183 0.000 0.954 3260 K CA -0.832 55.351 56.287 -0.173 0.000 0.820 3260 K CB 2.437 34.668 32.500 -0.447 0.000 1.292 3260 K HN 0.445 nan 8.250 nan 0.000 0.436 3261 I N 3.337 123.738 120.570 -0.282 0.000 2.362 3261 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 3261 I C -0.448 175.385 176.117 -0.474 0.000 0.994 3261 I CA -0.700 60.354 61.300 -0.411 0.000 1.158 3261 I CB 1.065 38.724 38.000 -0.569 0.000 1.315 3261 I HN 0.357 nan 8.210 nan 0.000 0.451 3262 I N 6.575 126.862 120.570 -0.471 0.000 2.354 3262 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 3262 I C -0.979 174.703 176.117 -0.726 0.000 0.989 3262 I CA -0.699 60.287 61.300 -0.524 0.000 1.188 3262 I CB 1.232 38.964 38.000 -0.446 0.000 1.342 3262 I HN 0.401 nan 8.210 nan 0.000 0.457 3263 Y N 6.023 126.031 120.300 -0.486 0.000 2.341 3263 Y HA 0.434 4.984 4.550 -0.000 0.000 0.340 3263 Y C -0.285 175.332 175.900 -0.470 0.000 0.997 3263 Y CA -0.341 57.553 58.100 -0.344 0.000 1.149 3263 Y CB 0.780 39.120 38.460 -0.201 0.000 1.171 3263 Y HN 0.314 nan 8.280 nan 0.000 0.494 3264 F N 2.346 122.323 119.950 0.044 0.000 2.492 3264 F HA 0.580 5.107 4.527 -0.000 0.000 0.327 3264 F C -0.059 175.698 175.800 -0.073 0.000 1.079 3264 F CA -1.111 56.877 58.000 -0.020 0.000 0.967 3264 F CB 1.864 40.843 39.000 -0.035 0.000 1.169 3264 F HN 0.203 nan 8.300 nan 0.000 0.472 3265 K N 1.767 122.214 120.400 0.079 0.000 2.601 3265 K HA 0.260 4.580 4.320 -0.000 0.000 0.249 3265 K C -0.795 175.674 176.600 -0.218 0.000 0.966 3265 K CA -0.375 55.854 56.287 -0.097 0.000 0.827 3265 K CB 0.844 33.275 32.500 -0.115 0.000 1.178 3265 K HN 0.775 nan 8.250 nan 0.000 0.437 3266 E N 2.435 122.317 120.200 -0.530 0.000 2.476 3266 E HA -0.267 4.083 4.350 -0.000 0.000 0.251 3266 E C 0.485 176.627 176.600 -0.763 0.000 1.130 3266 E CA 0.672 56.332 56.400 -1.233 0.000 0.736 3266 E CB -1.511 27.832 29.700 -0.595 0.000 1.298 3266 E HN 1.169 nan 8.360 nan 0.000 0.400 3267 G N -0.116 108.437 108.800 -0.413 0.000 2.184 3267 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 3267 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 3267 G C 0.176 175.117 174.900 0.068 0.000 0.975 3267 G CA 0.926 45.942 45.100 -0.140 0.000 0.642 3267 G HN 0.278 nan 8.290 nan 0.000 0.536 3268 K N -0.054 120.400 120.400 0.090 0.000 2.138 3268 K HA 0.634 4.954 4.320 -0.000 0.000 0.263 3268 K C 0.358 177.062 176.600 0.173 0.000 0.965 3268 K CA -0.915 55.447 56.287 0.124 0.000 0.868 3268 K CB 1.726 34.238 32.500 0.019 0.000 1.083 3268 K HN 0.183 nan 8.250 nan 0.000 0.443 3269 I N 3.781 124.405 120.570 0.089 0.000 2.436 3269 I HA -0.081 4.089 4.170 -0.000 0.000 0.289 3269 I C 1.277 177.334 176.117 -0.099 0.000 1.083 3269 I CA -0.007 61.223 61.300 -0.117 0.000 1.372 3269 I CB 0.872 38.800 38.000 -0.120 0.000 1.408 3269 I HN 0.526 nan 8.210 nan 0.000 0.516 3270 Q N 5.208 124.933 119.800 -0.124 0.000 2.204 3270 Q HA 0.162 4.502 4.340 -0.000 0.000 0.198 3270 Q C 0.385 176.329 176.000 -0.093 0.000 0.946 3270 Q CA 0.913 56.666 55.803 -0.084 0.000 0.859 3270 Q CB 0.395 29.093 28.738 -0.068 0.000 0.946 3270 Q HN 0.582 nan 8.270 nan 0.000 0.474 3271 K N -0.453 119.899 120.400 -0.080 0.000 2.587 3271 K HA 0.459 4.779 4.320 -0.000 0.000 0.276 3271 K C -1.740 174.869 176.600 0.015 0.000 0.956 3271 K CA -0.367 55.889 56.287 -0.052 0.000 0.857 3271 K CB 1.460 33.880 32.500 -0.134 0.000 1.431 3271 K HN -0.072 nan 8.250 nan 0.000 0.420 3272 I N 2.590 123.142 120.570 -0.030 0.000 2.466 3272 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 3272 I C -0.735 175.363 176.117 -0.032 0.000 1.026 3272 I CA -0.633 60.622 61.300 -0.075 0.000 1.078 3272 I CB 2.111 40.007 38.000 -0.174 0.000 1.249 3272 I HN 0.543 nan 8.210 nan 0.000 0.429 3273 E N 5.040 125.241 120.200 0.001 0.000 2.238 3273 E HA 0.389 4.739 4.350 -0.000 0.000 0.267 3273 E C -1.113 175.461 176.600 -0.042 0.000 0.887 3273 E CA -0.849 55.575 56.400 0.041 0.000 0.769 3273 E CB 2.444 32.281 29.700 0.228 0.000 1.187 3273 E HN 0.490 nan 8.360 nan 0.000 0.416 3274 E N 1.279 121.463 120.200 -0.027 0.000 2.366 3274 E HA 0.112 4.462 4.350 -0.000 0.000 0.266 3274 E C -0.429 176.217 176.600 0.077 0.000 1.051 3274 E CA -0.578 55.795 56.400 -0.045 0.000 0.884 3274 E CB 0.880 30.550 29.700 -0.049 0.000 1.006 3274 E HN 0.197 nan 8.360 nan 0.000 0.417 3275 L N 2.322 123.569 121.223 0.039 0.000 2.525 3275 L HA 0.165 4.504 4.340 -0.000 0.000 0.278 3275 L C -0.568 176.424 176.870 0.204 0.000 1.218 3275 L CA 0.735 55.656 54.840 0.136 0.000 0.878 3275 L CB 0.196 42.279 42.059 0.041 0.000 1.127 3275 L HN 0.593 nan 8.230 nan 0.000 0.492 3276 A N 3.196 126.221 122.820 0.340 0.000 2.435 3276 A HA 0.957 5.277 4.320 -0.000 0.000 0.296 3276 A C 0.197 177.818 177.584 0.062 0.000 1.147 3276 A CA -0.018 52.071 52.037 0.086 0.000 0.775 3276 A CB 0.937 19.883 19.000 -0.090 0.000 1.340 3276 A HN 1.766 nan 8.150 nan 0.000 0.427 3277 G N 0.148 108.960 108.800 0.020 0.000 2.512 3277 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.210 3277 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.210 3277 G C -0.047 174.887 174.900 0.057 0.000 1.295 3277 G CA 0.186 45.300 45.100 0.024 0.000 0.934 3277 G HN 0.894 nan 8.290 nan 0.000 0.554 3278 N N 0.973 119.712 118.700 0.065 0.000 2.299 3278 N HA 0.375 5.115 4.740 -0.000 0.000 0.187 3278 N C 1.094 176.710 175.510 0.177 0.000 1.099 3278 N CA 0.895 54.019 53.050 0.123 0.000 0.867 3278 N CB 0.375 38.947 38.487 0.140 0.000 0.974 3278 N HN 1.109 nan 8.380 nan 0.000 0.477 3279 A N 0.864 123.691 122.820 0.011 0.000 2.492 3279 A HA 0.070 4.389 4.320 -0.000 0.000 0.254 3279 A C 1.059 178.710 177.584 0.113 0.000 1.091 3279 A CA 0.011 51.954 52.037 -0.157 0.000 0.768 3279 A CB 0.303 19.139 19.000 -0.275 0.000 1.028 3279 A HN 0.215 nan 8.150 nan 0.000 0.498 3280 Q N 0.115 120.099 119.800 0.306 0.000 2.402 3280 Q HA 0.048 4.388 4.340 -0.000 0.000 0.206 3280 Q C -0.323 175.984 176.000 0.513 0.000 0.919 3280 Q CA 0.734 56.775 55.803 0.396 0.000 0.923 3280 Q CB 0.266 29.225 28.738 0.369 0.000 1.048 3280 Q HN 0.894 nan 8.270 nan 0.000 0.515 3281 H N -0.695 118.544 119.070 0.282 0.000 3.086 3281 H HA 0.351 4.907 4.556 -0.000 0.000 0.353 3281 H C -1.795 173.604 175.328 0.118 0.000 1.134 3281 H CA -0.605 55.589 56.048 0.243 0.000 1.248 3281 H CB 1.030 31.017 29.762 0.375 0.000 1.878 3281 H HN -0.123 nan 8.280 nan 0.000 0.527 3282 I N 4.313 124.681 120.570 -0.336 0.000 2.499 3282 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 3282 I C -0.609 175.374 176.117 -0.223 0.000 1.048 3282 I CA -0.515 60.671 61.300 -0.190 0.000 1.062 3282 I CB 1.635 39.557 38.000 -0.130 0.000 1.238 3282 I HN 0.682 nan 8.210 nan 0.000 0.426 3283 E N 4.236 124.384 120.200 -0.087 0.000 2.429 3283 E HA 0.314 4.664 4.350 -0.000 0.000 0.276 3283 E C -0.808 175.775 176.600 -0.029 0.000 0.953 3283 E CA -0.822 55.554 56.400 -0.040 0.000 0.787 3283 E CB 1.969 31.688 29.700 0.031 0.000 1.307 3283 E HN 0.447 nan 8.360 nan 0.000 0.458 3284 E N 0.033 120.222 120.200 -0.018 0.000 2.149 3284 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 3284 E C -0.655 175.915 176.600 -0.050 0.000 1.384 3284 E CA 0.144 56.524 56.400 -0.034 0.000 0.698 3284 E CB -1.600 28.051 29.700 -0.081 0.000 1.086 3284 E HN 0.329 nan 8.360 nan 0.000 0.338 3285 c N 1.310 119.882 118.600 -0.046 0.000 2.653 3285 c HA 0.163 4.732 4.570 -0.000 0.000 0.421 3285 c C 1.137 175.209 174.090 -0.030 0.000 1.334 3285 c CA -0.266 56.037 56.329 -0.044 0.000 1.885 3285 c CB 0.419 42.893 42.510 -0.059 0.000 2.645 3285 c HN 0.376 nan 8.230 nan 0.000 0.601 3286 S N 2.121 117.821 115.700 -0.000 0.000 2.438 3286 S HA 0.465 4.935 4.470 -0.000 0.000 0.316 3286 S C -0.377 174.252 174.600 0.048 0.000 1.084 3286 S CA -0.468 57.754 58.200 0.037 0.000 1.107 3286 S CB 0.405 63.658 63.200 0.088 0.000 0.981 3286 S HN 0.843 nan 8.310 nan 0.000 0.466 3287 c N 3.535 122.169 118.600 0.058 0.000 2.561 3287 c HA 0.893 5.463 4.570 -0.000 0.000 0.319 3287 c C -0.547 173.657 174.090 0.189 0.000 1.198 3287 c CA -1.040 55.315 56.329 0.044 0.000 1.665 3287 c CB 0.052 42.553 42.510 -0.016 0.000 2.258 3287 c HN 0.958 nan 8.230 nan 0.000 0.493 3288 Y N -0.570 119.798 120.300 0.113 0.000 2.625 3288 Y HA 0.843 5.393 4.550 -0.000 0.000 0.338 3288 Y C -0.293 175.748 175.900 0.235 0.000 1.123 3288 Y CA -0.922 57.333 58.100 0.258 0.000 1.046 3288 Y CB 1.064 39.740 38.460 0.361 0.000 1.299 3288 Y HN 0.850 nan 8.280 nan 0.000 0.464 3289 G N 0.354 109.421 108.800 0.444 0.000 2.482 3289 G HA2 0.832 4.791 3.960 -0.000 0.000 0.317 3289 G HA3 0.832 4.791 3.960 -0.000 0.000 0.317 3289 G C -1.774 173.451 174.900 0.541 0.000 1.241 3289 G CA -0.635 44.606 45.100 0.234 0.000 0.967 3289 G HN 1.434 nan 8.290 nan 0.000 0.482 3290 A N 0.016 123.086 122.820 0.417 0.000 2.582 3290 A HA 0.736 5.056 4.320 -0.000 0.000 0.297 3290 A C 0.560 178.297 177.584 0.254 0.000 1.059 3290 A CA 0.387 52.724 52.037 0.499 0.000 0.705 3290 A CB 0.830 20.140 19.000 0.516 0.000 1.279 3290 A HN 2.596 nan 8.150 nan 0.000 0.404 3291 G N 0.419 109.333 108.800 0.189 0.000 2.341 3291 G HA2 0.192 4.152 3.960 -0.000 0.000 0.292 3291 G HA3 0.192 4.152 3.960 -0.000 0.000 0.292 3291 G C 1.817 176.745 174.900 0.046 0.000 1.021 3291 G CA 1.683 46.837 45.100 0.090 0.000 0.905 3291 G HN 2.981 nan 8.290 nan 0.000 0.508 3292 G N -3.376 105.434 108.800 0.018 0.000 2.168 3292 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.263 3292 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.263 3292 G C 0.337 175.124 174.900 -0.188 0.000 0.977 3292 G CA 0.720 45.720 45.100 -0.167 0.000 0.659 3292 G HN 1.715 nan 8.290 nan 0.000 0.533 3293 V N 1.043 120.912 119.914 -0.076 0.000 2.540 3293 V HA 0.666 4.785 4.120 -0.000 0.000 0.302 3293 V C 0.340 176.383 176.094 -0.086 0.000 1.035 3293 V CA -0.860 61.399 62.300 -0.068 0.000 0.873 3293 V CB 1.989 33.797 31.823 -0.025 0.000 0.992 3293 V HN 0.274 nan 8.190 nan 0.000 0.428 3294 I N 4.425 124.929 120.570 -0.110 0.000 2.377 3294 I HA 0.461 4.631 4.170 -0.000 0.000 0.293 3294 I C 0.024 176.016 176.117 -0.209 0.000 0.987 3294 I CA -0.460 60.743 61.300 -0.161 0.000 1.185 3294 I CB 1.457 39.394 38.000 -0.105 0.000 1.341 3294 I HN 0.477 nan 8.210 nan 0.000 0.455 3295 K N 5.194 125.351 120.400 -0.404 0.000 2.221 3295 K HA 0.603 4.923 4.320 -0.000 0.000 0.258 3295 K C -1.511 174.926 176.600 -0.271 0.000 0.944 3295 K CA -0.598 55.478 56.287 -0.352 0.000 0.823 3295 K CB 2.052 34.278 32.500 -0.456 0.000 1.113 3295 K HN 0.535 nan 8.250 nan 0.000 0.431 3296 c N 3.818 122.336 118.600 -0.137 0.000 2.322 3296 c HA 0.464 5.033 4.570 -0.000 0.000 0.324 3296 c C -0.490 173.568 174.090 -0.054 0.000 1.249 3296 c CA -0.968 55.311 56.329 -0.084 0.000 1.453 3296 c CB -0.317 42.141 42.510 -0.088 0.000 2.145 3296 c HN 0.644 nan 8.230 nan 0.000 0.466 3297 I N 3.354 123.913 120.570 -0.017 0.000 2.321 3297 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 3297 I C 0.448 176.553 176.117 -0.020 0.000 0.998 3297 I CA 0.415 61.707 61.300 -0.014 0.000 1.227 3297 I CB 0.494 38.499 38.000 0.009 0.000 1.368 3297 I HN 0.717 nan 8.210 nan 0.000 0.466 3298 c N 4.546 123.121 118.600 -0.041 0.000 3.017 3298 c HA 0.684 5.254 4.570 -0.000 0.000 0.380 3298 c C 0.228 174.305 174.090 -0.021 0.000 1.583 3298 c CA -1.077 55.227 56.329 -0.041 0.000 1.616 3298 c CB 1.802 44.275 42.510 -0.062 0.000 2.145 3298 c HN 0.721 nan 8.230 nan 0.000 0.466 3299 R N 1.261 121.757 120.500 -0.007 0.000 2.393 3299 R HA 0.377 4.717 4.340 -0.000 0.000 0.315 3299 R C -1.644 174.729 176.300 0.121 0.000 0.952 3299 R CA -0.028 56.095 56.100 0.038 0.000 0.842 3299 R CB 0.828 31.132 30.300 0.006 0.000 1.163 3299 R HN 0.847 nan 8.270 nan 0.000 0.450 3300 D N 3.302 123.808 120.400 0.177 0.000 2.396 3300 D HA 0.050 4.690 4.640 -0.000 0.000 0.225 3300 D C -0.090 176.391 176.300 0.301 0.000 1.121 3300 D CA -0.218 53.971 54.000 0.314 0.000 0.853 3300 D CB 1.189 42.195 40.800 0.343 0.000 1.043 3300 D HN 0.627 nan 8.370 nan 0.000 0.500 3301 N N 3.126 122.078 118.700 0.420 0.000 2.336 3301 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 3301 N C 0.617 176.149 175.510 0.037 0.000 1.113 3301 N CA 0.028 53.184 53.050 0.177 0.000 0.858 3301 N CB 0.109 38.723 38.487 0.212 0.000 0.970 3301 N HN 0.514 nan 8.380 nan 0.000 0.471 3302 W N 0.337 121.475 121.300 -0.270 0.000 2.780 3302 W HA 0.356 5.016 4.660 -0.000 0.000 0.272 3302 W C 1.268 177.731 176.519 -0.092 0.000 1.116 3302 W CA 1.018 58.189 57.345 -0.291 0.000 1.600 3302 W CB 0.133 29.350 29.460 -0.404 0.000 1.086 3302 W HN -0.175 nan 8.180 nan 0.000 0.584 3303 K N -1.161 119.192 120.400 -0.080 0.000 2.509 3303 K HA 0.281 4.601 4.320 -0.000 0.000 0.205 3303 K C 1.017 177.559 176.600 -0.097 0.000 1.336 3303 K CA 0.499 56.642 56.287 -0.240 0.000 0.912 3303 K CB -0.036 32.181 32.500 -0.472 0.000 1.568 3303 K HN -0.119 nan 8.250 nan 0.000 0.475 3304 G N 0.387 109.183 108.800 -0.007 0.000 2.432 3304 G HA2 0.358 4.318 3.960 -0.000 0.000 0.257 3304 G HA3 0.358 4.318 3.960 -0.000 0.000 0.257 3304 G C 0.442 175.363 174.900 0.035 0.000 1.238 3304 G CA 0.020 45.107 45.100 -0.021 0.000 0.838 3304 G HN 0.298 nan 8.290 nan 0.000 0.547 3305 A N 2.202 125.018 122.820 -0.007 0.000 2.178 3305 A HA 0.138 4.458 4.320 -0.000 0.000 0.211 3305 A C 1.242 178.842 177.584 0.025 0.000 1.157 3305 A CA 0.055 52.098 52.037 0.010 0.000 0.780 3305 A CB -0.315 18.675 19.000 -0.015 0.000 0.828 3305 A HN 0.717 nan 8.150 nan 0.000 0.476 3306 N N 0.558 119.281 118.700 0.038 0.000 2.515 3306 N HA 0.267 5.007 4.740 -0.000 0.000 0.279 3306 N C -0.639 174.996 175.510 0.208 0.000 1.164 3306 N CA -0.392 52.711 53.050 0.088 0.000 0.982 3306 N CB 0.502 39.029 38.487 0.065 0.000 1.170 3306 N HN 0.185 nan 8.380 nan 0.000 0.474 3307 R N 0.434 121.024 120.500 0.150 0.000 2.349 3307 R HA 0.397 4.737 4.340 -0.000 0.000 0.299 3307 R C -2.245 174.082 176.300 0.044 0.000 1.027 3307 R CA -1.555 54.606 56.100 0.102 0.000 0.958 3307 R CB 0.688 30.999 30.300 0.019 0.000 1.047 3307 R HN 0.439 nan 8.270 nan 0.000 0.468 3308 P HA 0.043 nan 4.420 nan 0.000 0.269 3308 P C -0.860 176.318 177.300 -0.203 0.000 1.215 3308 P CA -0.177 62.660 63.100 -0.437 0.000 0.780 3308 P CB 0.691 32.133 31.700 -0.430 0.000 0.898 3309 V N 3.726 123.528 119.914 -0.186 0.000 2.525 3309 V HA 0.393 4.513 4.120 -0.000 0.000 0.299 3309 V C -0.015 176.033 176.094 -0.077 0.000 1.034 3309 V CA -0.387 61.859 62.300 -0.090 0.000 0.863 3309 V CB 1.561 33.362 31.823 -0.037 0.000 0.999 3309 V HN 0.363 nan 8.190 nan 0.000 0.423 3310 I N 3.308 123.840 120.570 -0.063 0.000 2.404 3310 I HA 0.513 4.682 4.170 -0.000 0.000 0.293 3310 I C 0.015 176.117 176.117 -0.025 0.000 0.992 3310 I CA -0.238 61.045 61.300 -0.029 0.000 1.149 3310 I CB 2.147 40.109 38.000 -0.064 0.000 1.315 3310 I HN 0.488 nan 8.210 nan 0.000 0.446 3311 T N 7.046 121.610 114.554 0.017 0.000 2.770 3311 T HA 0.610 4.960 4.350 -0.000 0.000 0.283 3311 T C -0.213 174.516 174.700 0.048 0.000 0.988 3311 T CA -0.310 61.793 62.100 0.004 0.000 0.957 3311 T CB 0.894 69.765 68.868 0.006 0.000 0.930 3311 T HN 0.276 nan 8.240 nan 0.000 0.443 3312 I N 2.726 123.308 120.570 0.021 0.000 2.436 3312 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 3312 I C -0.364 175.776 176.117 0.039 0.000 1.010 3312 I CA -0.923 60.421 61.300 0.073 0.000 1.098 3312 I CB 1.867 39.900 38.000 0.055 0.000 1.266 3312 I HN 0.474 nan 8.210 nan 0.000 0.434 3313 D N 9.113 129.547 120.400 0.057 0.000 2.428 3313 D HA 0.213 4.853 4.640 -0.000 0.000 0.221 3313 D C -1.663 174.649 176.300 0.020 0.000 1.123 3313 D CA -2.258 51.743 54.000 0.002 0.000 0.869 3313 D CB 1.630 42.422 40.800 -0.013 0.000 1.032 3313 D HN 0.233 nan 8.370 nan 0.000 0.506 3314 P HA -0.062 nan 4.420 nan 0.000 0.226 3314 P C 0.739 178.063 177.300 0.040 0.000 1.153 3314 P CA 0.783 63.924 63.100 0.068 0.000 0.777 3314 P CB 0.734 32.463 31.700 0.049 0.000 0.794 3315 E N -0.746 119.463 120.200 0.016 0.000 2.075 3315 E HA 0.038 4.388 4.350 -0.000 0.000 0.190 3315 E C 1.981 178.545 176.600 -0.061 0.000 0.969 3315 E CA 0.790 57.203 56.400 0.022 0.000 0.815 3315 E CB -0.251 29.485 29.700 0.061 0.000 0.776 3315 E HN 0.075 nan 8.360 nan 0.000 0.457 3316 M N -0.249 119.304 119.600 -0.078 0.000 2.492 3316 M HA 0.081 4.561 4.480 -0.000 0.000 0.262 3316 M C 0.610 176.779 176.300 -0.219 0.000 1.090 3316 M CA 0.719 55.951 55.300 -0.113 0.000 1.110 3316 M CB -0.435 32.118 32.600 -0.079 0.000 1.407 3316 M HN 0.189 nan 8.290 nan 0.000 0.470 3317 M N 1.673 121.092 119.600 -0.302 0.000 2.298 3317 M HA -0.178 4.302 4.480 -0.000 0.000 0.196 3317 M C -0.196 175.838 176.300 -0.444 0.000 0.531 3317 M CA 0.708 55.555 55.300 -0.756 0.000 0.459 3317 M CB -2.372 29.512 32.600 -1.193 0.000 1.279 3317 M HN 0.433 nan 8.290 nan 0.000 0.915 3318 T N -2.784 111.725 114.554 -0.075 0.000 2.865 3318 T HA 0.927 5.277 4.350 -0.000 0.000 0.294 3318 T C -0.602 174.208 174.700 0.184 0.000 1.119 3318 T CA -0.715 61.420 62.100 0.058 0.000 1.007 3318 T CB 2.929 71.768 68.868 -0.047 0.000 1.225 3318 T HN 0.551 nan 8.240 nan 0.000 0.515 3319 H N -1.077 118.018 119.070 0.042 0.000 2.990 3319 H HA 0.747 5.303 4.556 -0.000 0.000 0.336 3319 H C -1.359 173.971 175.328 0.002 0.000 1.306 3319 H CA -0.735 55.329 56.048 0.027 0.000 1.118 3319 H CB 1.362 31.145 29.762 0.036 0.000 1.856 3319 H HN 1.024 nan 8.280 nan 0.000 0.538 3320 T N -0.951 113.596 114.554 -0.011 0.000 2.887 3320 T HA 0.652 5.002 4.350 -0.000 0.000 0.292 3320 T C -0.424 174.327 174.700 0.085 0.000 1.087 3320 T CA -0.552 61.522 62.100 -0.043 0.000 1.009 3320 T CB 1.702 70.550 68.868 -0.033 0.000 1.203 3320 T HN 1.006 nan 8.240 nan 0.000 0.518 3321 S N -0.097 115.632 115.700 0.048 0.000 2.556 3321 S HA 0.853 5.323 4.470 -0.000 0.000 0.271 3321 S C -1.009 173.587 174.600 -0.006 0.000 1.135 3321 S CA -0.870 57.345 58.200 0.025 0.000 0.858 3321 S CB 2.259 65.484 63.200 0.041 0.000 1.114 3321 S HN 1.354 nan 8.310 nan 0.000 0.468 3322 K N 0.391 120.761 120.400 -0.051 0.000 2.160 3322 K HA 0.519 4.838 4.320 -0.000 0.000 0.251 3322 K C -1.720 174.800 176.600 -0.132 0.000 0.760 3322 K CA -0.952 55.331 56.287 -0.007 0.000 0.613 3322 K CB 0.256 32.794 32.500 0.063 0.000 1.455 3322 K HN 0.543 nan 8.250 nan 0.000 0.378 3323 Y N 0.386 120.696 120.300 0.016 0.000 2.598 3323 Y HA 0.442 4.992 4.550 -0.000 0.000 0.340 3323 Y C -0.042 175.861 175.900 0.006 0.000 1.038 3323 Y CA -1.073 57.033 58.100 0.010 0.000 1.100 3323 Y CB 1.702 40.163 38.460 0.003 0.000 1.281 3323 Y HN 0.295 nan 8.280 nan 0.000 0.488 3324 L N 1.712 123.032 121.223 0.161 0.000 2.462 3324 L HA -0.075 4.265 4.340 -0.000 0.000 0.272 3324 L C 0.483 177.407 176.870 0.090 0.000 1.166 3324 L CA -0.062 54.833 54.840 0.091 0.000 0.880 3324 L CB 0.445 42.540 42.059 0.060 0.000 1.142 3324 L HN 0.960 nan 8.230 nan 0.000 0.473 3325 c N 1.411 120.046 118.600 0.059 0.000 2.450 3325 c HA -0.080 4.490 4.570 -0.000 0.000 0.279 3325 c C 1.836 175.935 174.090 0.015 0.000 1.335 3325 c CA -0.015 56.337 56.329 0.038 0.000 1.749 3325 c CB -0.521 42.006 42.510 0.028 0.000 1.963 3325 c HN 0.887 nan 8.230 nan 0.000 0.501 3326 S N 1.247 116.953 115.700 0.009 0.000 2.558 3326 S HA -0.044 4.426 4.470 -0.000 0.000 0.291 3326 S C 1.449 176.039 174.600 -0.017 0.000 1.306 3326 S CA 0.045 58.239 58.200 -0.009 0.000 1.056 3326 S CB 0.396 63.585 63.200 -0.018 0.000 0.836 3326 S HN 0.704 nan 8.310 nan 0.000 0.504 3327 K N 2.619 123.004 120.400 -0.025 0.000 2.439 3327 K HA 0.026 4.346 4.320 -0.000 0.000 0.197 3327 K C 0.143 176.722 176.600 -0.034 0.000 1.041 3327 K CA 0.554 56.822 56.287 -0.030 0.000 0.970 3327 K CB -0.275 32.207 32.500 -0.031 0.000 0.773 3327 K HN 0.381 nan 8.250 nan 0.000 0.479 3328 V N 3.733 123.625 119.914 -0.037 0.000 2.381 3328 V HA 0.106 4.226 4.120 -0.000 0.000 0.257 3328 V C 0.239 176.305 176.094 -0.047 0.000 1.057 3328 V CA -0.208 62.064 62.300 -0.046 0.000 1.013 3328 V CB 0.044 31.834 31.823 -0.056 0.000 1.069 3328 V HN 0.210 nan 8.190 nan 0.000 0.484 3329 L N 5.084 126.280 121.223 -0.045 0.000 2.380 3329 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 3329 L C 1.289 178.126 176.870 -0.055 0.000 1.138 3329 L CA 0.067 54.883 54.840 -0.039 0.000 0.832 3329 L CB 1.209 43.248 42.059 -0.033 0.000 1.124 3329 L HN 0.777 nan 8.230 nan 0.000 0.454 3330 T N -3.923 110.600 114.554 -0.052 0.000 3.043 3330 T HA 0.131 4.481 4.350 -0.000 0.000 0.272 3330 T C 0.267 174.934 174.700 -0.054 0.000 0.990 3330 T CA -0.505 61.544 62.100 -0.084 0.000 0.897 3330 T CB 0.167 68.958 68.868 -0.128 0.000 1.111 3330 T HN 0.410 nan 8.240 nan 0.000 0.529 3331 D N 1.702 122.092 120.400 -0.016 0.000 2.411 3331 D HA 0.428 5.068 4.640 -0.000 0.000 0.251 3331 D C -0.517 175.793 176.300 0.016 0.000 1.201 3331 D CA 0.091 54.098 54.000 0.011 0.000 0.996 3331 D CB 1.757 42.578 40.800 0.035 0.000 1.101 3331 D HN 0.084 nan 8.370 nan 0.000 0.504 3332 T N 0.465 115.045 114.554 0.043 0.000 2.829 3332 T HA 0.438 4.788 4.350 -0.000 0.000 0.280 3332 T C -0.908 173.826 174.700 0.056 0.000 0.999 3332 T CA -0.350 61.782 62.100 0.053 0.000 0.983 3332 T CB 0.922 69.841 68.868 0.085 0.000 0.968 3332 T HN 0.372 nan 8.240 nan 0.000 0.446 3333 S N 2.083 117.811 115.700 0.046 0.000 3.781 3333 S HA -0.109 4.361 4.470 -0.000 0.000 0.657 3333 S C -0.076 174.537 174.600 0.021 0.000 0.579 3333 S CA 0.115 58.336 58.200 0.036 0.000 1.435 3333 S CB -0.596 62.629 63.200 0.042 0.000 0.862 3333 S HN 0.937 nan 8.310 nan 0.000 0.955 3334 R N 1.839 122.345 120.500 0.010 0.000 2.808 3334 R HA 0.865 5.205 4.340 -0.000 0.000 0.272 3334 R C -3.186 173.109 176.300 -0.009 0.000 0.995 3334 R CA -2.187 53.910 56.100 -0.004 0.000 0.917 3334 R CB 1.561 31.856 30.300 -0.009 0.000 1.217 3334 R HN 0.218 nan 8.270 nan 0.000 0.471 3335 P HA 0.115 nan 4.420 nan 0.000 0.293 3335 P C -0.842 176.445 177.300 -0.021 0.000 1.304 3335 P CA -0.615 62.474 63.100 -0.019 0.000 0.767 3335 P CB 0.417 32.101 31.700 -0.026 0.000 1.247 3336 N N 0.319 119.006 118.700 -0.021 0.000 2.344 3336 N HA 0.008 4.748 4.740 -0.000 0.000 0.236 3336 N C -0.072 175.421 175.510 -0.028 0.000 1.279 3336 N CA 0.405 53.441 53.050 -0.023 0.000 0.882 3336 N CB -0.377 38.097 38.487 -0.021 0.000 1.110 3336 N HN 0.357 nan 8.380 nan 0.000 0.436 3337 D N 1.598 121.980 120.400 -0.029 0.000 2.455 3337 D HA 0.111 4.751 4.640 -0.000 0.000 0.241 3337 D C -1.511 174.770 176.300 -0.031 0.000 1.138 3337 D CA -0.376 53.604 54.000 -0.033 0.000 0.877 3337 D CB 0.269 41.049 40.800 -0.033 0.000 1.187 3337 D HN 0.346 nan 8.370 nan 0.000 0.451 3338 P HA 0.141 nan 4.420 nan 0.000 0.282 3338 P C 0.481 177.763 177.300 -0.031 0.000 1.287 3338 P CA -0.437 62.642 63.100 -0.034 0.000 0.792 3338 P CB 0.821 32.497 31.700 -0.040 0.000 1.163 3339 T N -0.820 113.717 114.554 -0.029 0.000 2.788 3339 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 3339 T C 0.662 175.346 174.700 -0.027 0.000 1.044 3339 T CA 1.371 63.455 62.100 -0.026 0.000 1.139 3339 T CB -0.509 68.344 68.868 -0.024 0.000 0.867 3339 T HN 0.518 nan 8.240 nan 0.000 0.454 3340 N N -0.115 118.567 118.700 -0.030 0.000 2.249 3340 N HA 0.518 5.258 4.740 -0.000 0.000 0.296 3340 N C -0.072 175.417 175.510 -0.035 0.000 1.051 3340 N CA -0.778 52.254 53.050 -0.029 0.000 0.815 3340 N CB 2.145 40.616 38.487 -0.028 0.000 1.487 3340 N HN 0.206 nan 8.380 nan 0.000 0.475 3341 G N 0.254 109.035 108.800 -0.031 0.000 2.508 3341 G HA2 0.218 4.178 3.960 -0.000 0.000 0.278 3341 G HA3 0.218 4.178 3.960 -0.000 0.000 0.278 3341 G C -0.676 174.200 174.900 -0.040 0.000 1.389 3341 G CA -0.237 44.842 45.100 -0.036 0.000 1.050 3341 G HN 0.661 nan 8.290 nan 0.000 0.522 3342 N N -2.305 116.368 118.700 -0.045 0.000 2.519 3342 N HA 0.192 4.932 4.740 -0.000 0.000 0.291 3342 N C 0.591 176.093 175.510 -0.012 0.000 1.107 3342 N CA -0.834 52.186 53.050 -0.050 0.000 0.904 3342 N CB 1.211 39.635 38.487 -0.106 0.000 1.500 3342 N HN 0.299 nan 8.380 nan 0.000 0.510 3343 c N 1.215 119.829 118.600 0.023 0.000 2.432 3343 c HA 0.013 4.583 4.570 -0.000 0.000 0.280 3343 c C 0.954 175.126 174.090 0.137 0.000 1.353 3343 c CA 0.478 56.854 56.329 0.077 0.000 1.766 3343 c CB -0.558 41.985 42.510 0.054 0.000 1.924 3343 c HN 0.732 nan 8.230 nan 0.000 0.509 3344 D N -0.178 120.272 120.400 0.084 0.000 2.513 3344 D HA 0.404 5.044 4.640 -0.000 0.000 0.222 3344 D C 0.162 176.518 176.300 0.094 0.000 1.210 3344 D CA 0.411 54.490 54.000 0.132 0.000 0.825 3344 D CB 0.701 41.545 40.800 0.074 0.000 1.037 3344 D HN 0.469 nan 8.370 nan 0.000 0.506 3345 A N 1.704 124.461 122.820 -0.105 0.000 2.594 3345 A HA 0.566 4.886 4.320 -0.000 0.000 0.295 3345 A C -2.877 174.224 177.584 -0.804 0.000 1.071 3345 A CA -1.226 50.624 52.037 -0.313 0.000 0.685 3345 A CB 1.998 20.891 19.000 -0.179 0.000 1.285 3345 A HN -0.241 nan 8.150 nan 0.000 0.405 3346 P HA 0.320 nan 4.420 nan 0.000 0.271 3346 P C -0.703 176.343 177.300 -0.425 0.000 1.216 3346 P CA 0.268 62.866 63.100 -0.836 0.000 0.771 3346 P CB 0.523 31.918 31.700 -0.508 0.000 0.864 3347 I N 3.249 123.629 120.570 -0.316 0.000 2.291 3347 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 3347 I C 1.531 177.562 176.117 -0.143 0.000 1.064 3347 I CA -0.195 60.995 61.300 -0.184 0.000 1.269 3347 I CB 0.611 38.533 38.000 -0.131 0.000 1.418 3347 I HN 0.364 nan 8.210 nan 0.000 0.485 3348 T N 2.558 117.029 114.554 -0.139 0.000 2.824 3348 T HA 0.833 5.183 4.350 -0.000 0.000 0.277 3348 T C 0.369 175.023 174.700 -0.078 0.000 0.975 3348 T CA -0.014 62.018 62.100 -0.114 0.000 0.966 3348 T CB 1.889 70.674 68.868 -0.138 0.000 1.054 3348 T HN 0.983 nan 8.240 nan 0.000 0.533 3349 G N -1.422 107.342 108.800 -0.061 0.000 2.384 3349 G HA2 0.514 4.474 3.960 -0.000 0.000 0.668 3349 G HA3 0.514 4.474 3.960 -0.000 0.000 0.668 3349 G C 0.008 174.893 174.900 -0.025 0.000 1.280 3349 G CA -0.084 44.991 45.100 -0.041 0.000 0.992 3349 G HN 2.656 nan 8.290 nan 0.000 0.512 3350 G N -1.884 106.906 108.800 -0.016 0.000 2.662 3350 G HA2 0.532 4.492 3.960 -0.000 0.000 0.686 3350 G HA3 0.532 4.492 3.960 -0.000 0.000 0.686 3350 G C -0.186 174.716 174.900 0.003 0.000 1.271 3350 G CA 1.007 46.104 45.100 -0.004 0.000 0.816 3350 G HN 2.543 nan 8.290 nan 0.000 0.608 3351 S N 0.082 115.789 115.700 0.012 0.000 2.543 3351 S HA 0.818 5.288 4.470 -0.000 0.000 0.274 3351 S C -2.375 172.240 174.600 0.026 0.000 1.149 3351 S CA 0.000 58.210 58.200 0.017 0.000 0.866 3351 S CB 2.414 65.621 63.200 0.012 0.000 1.111 3351 S HN 0.794 nan 8.310 nan 0.000 0.457 3352 P HA 0.371 nan 4.420 nan 0.000 0.275 3352 P C -0.854 176.463 177.300 0.030 0.000 1.310 3352 P CA 0.026 63.141 63.100 0.025 0.000 0.904 3352 P CB 0.126 31.840 31.700 0.023 0.000 1.381 3353 D N 1.402 121.825 120.400 0.039 0.000 2.185 3353 D HA 0.208 4.848 4.640 -0.000 0.000 0.247 3353 D C -1.667 174.664 176.300 0.050 0.000 1.027 3353 D CA -1.628 52.400 54.000 0.047 0.000 0.861 3353 D CB 2.255 43.091 40.800 0.060 0.000 1.202 3353 D HN 0.027 nan 8.370 nan 0.000 0.453 3354 P HA 0.098 nan 4.420 nan 0.000 0.236 3354 P C 0.314 177.658 177.300 0.073 0.000 1.177 3354 P CA 0.334 63.468 63.100 0.058 0.000 0.773 3354 P CB 0.918 32.654 31.700 0.059 0.000 0.878 3355 G N -1.665 107.184 108.800 0.082 0.000 2.325 3355 G HA2 0.399 4.359 3.960 -0.000 0.000 0.297 3355 G HA3 0.399 4.359 3.960 -0.000 0.000 0.297 3355 G C -2.412 172.548 174.900 0.101 0.000 1.448 3355 G CA -0.263 44.889 45.100 0.087 0.000 0.838 3355 G HN 0.050 nan 8.290 nan 0.000 0.579 3356 V N -0.235 119.719 119.914 0.067 0.000 3.048 3356 V HA 0.750 4.870 4.120 -0.000 0.000 0.303 3356 V C -0.343 175.668 176.094 -0.137 0.000 1.214 3356 V CA -0.981 61.347 62.300 0.047 0.000 0.984 3356 V CB 1.972 33.890 31.823 0.157 0.000 1.054 3356 V HN 1.094 nan 8.190 nan 0.000 0.430 3357 K N 3.132 123.201 120.400 -0.552 0.000 2.401 3357 K HA 0.594 4.914 4.320 -0.000 0.000 0.278 3357 K C 0.071 176.567 176.600 -0.174 0.000 1.018 3357 K CA 0.915 56.892 56.287 -0.517 0.000 0.981 3357 K CB 0.718 32.606 32.500 -1.020 0.000 0.933 3357 K HN 1.053 nan 8.250 nan 0.000 0.477 3358 G N 2.466 111.243 108.800 -0.039 0.000 2.911 3358 G HA2 0.684 4.644 3.960 -0.000 0.000 0.299 3358 G HA3 0.684 4.644 3.960 -0.000 0.000 0.299 3358 G C -1.555 173.434 174.900 0.149 0.000 1.283 3358 G CA -0.742 44.416 45.100 0.097 0.000 0.805 3358 G HN 0.682 nan 8.290 nan 0.000 0.548 3359 F N -2.346 117.562 119.950 -0.071 0.000 2.807 3359 F HA 0.885 5.412 4.527 -0.000 0.000 0.316 3359 F C -0.781 174.942 175.800 -0.129 0.000 1.162 3359 F CA -0.901 57.023 58.000 -0.127 0.000 0.910 3359 F CB 1.185 40.067 39.000 -0.197 0.000 1.314 3359 F HN 1.423 nan 8.300 nan 0.000 0.454 3360 A N 0.897 123.543 122.820 -0.290 0.000 2.601 3360 A HA 0.775 5.095 4.320 -0.000 0.000 0.291 3360 A C -2.454 175.052 177.584 -0.130 0.000 1.075 3360 A CA -0.714 51.133 52.037 -0.316 0.000 0.671 3360 A CB 1.040 19.945 19.000 -0.159 0.000 1.277 3360 A HN 0.752 nan 8.150 nan 0.000 0.417 3361 F N 0.374 120.447 119.950 0.204 0.000 2.458 3361 F HA 0.662 5.189 4.527 -0.000 0.000 0.336 3361 F C -0.117 175.815 175.800 0.220 0.000 1.114 3361 F CA -0.399 57.671 58.000 0.116 0.000 0.987 3361 F CB 1.883 40.899 39.000 0.028 0.000 1.130 3361 F HN 0.343 nan 8.300 nan 0.000 0.458 3362 L N 3.457 124.962 121.223 0.469 0.000 2.372 3362 L HA 0.449 4.789 4.340 -0.000 0.000 0.273 3362 L C -1.045 176.014 176.870 0.315 0.000 0.989 3362 L CA -0.350 54.687 54.840 0.328 0.000 0.841 3362 L CB 1.628 43.839 42.059 0.253 0.000 1.225 3362 L HN 0.522 nan 8.230 nan 0.000 0.414 3363 D N 2.671 123.208 120.400 0.228 0.000 3.407 3363 D HA 0.391 5.031 4.640 -0.000 0.000 0.291 3363 D C 0.635 177.007 176.300 0.120 0.000 1.309 3363 D CA 0.723 54.837 54.000 0.188 0.000 0.747 3363 D CB 0.596 41.522 40.800 0.209 0.000 1.343 3363 D HN 0.687 nan 8.370 nan 0.000 0.631 3364 G N 1.423 110.278 108.800 0.091 0.000 2.591 3364 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.298 3364 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.298 3364 G C 1.034 175.954 174.900 0.034 0.000 1.195 3364 G CA 0.476 45.609 45.100 0.054 0.000 0.989 3364 G HN 0.417 nan 8.290 nan 0.000 0.551 3365 E N 0.733 120.944 120.200 0.019 0.000 2.153 3365 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 3365 E C 1.565 178.154 176.600 -0.018 0.000 0.988 3365 E CA 0.871 57.265 56.400 -0.010 0.000 0.811 3365 E CB -0.067 29.626 29.700 -0.011 0.000 0.746 3365 E HN 0.325 nan 8.360 nan 0.000 0.466 3366 N N 1.058 119.780 118.700 0.036 0.000 3.111 3366 N HA -0.001 4.739 4.740 -0.000 0.000 0.302 3366 N C -1.526 174.083 175.510 0.165 0.000 1.317 3366 N CA 0.022 53.126 53.050 0.090 0.000 1.151 3366 N CB 0.177 38.728 38.487 0.107 0.000 1.456 3366 N HN -0.167 nan 8.380 nan 0.000 0.547 3367 S N 0.482 116.214 115.700 0.054 0.000 2.473 3367 S HA 0.491 4.961 4.470 -0.000 0.000 0.307 3367 S C -1.144 173.475 174.600 0.032 0.000 1.094 3367 S CA -0.573 57.706 58.200 0.132 0.000 1.070 3367 S CB 0.823 64.066 63.200 0.072 0.000 1.019 3367 S HN 0.330 nan 8.310 nan 0.000 0.480 3368 W N 2.738 124.157 121.300 0.198 0.000 2.839 3368 W HA 0.602 5.262 4.660 -0.000 0.000 0.334 3368 W C -1.102 175.430 176.519 0.022 0.000 1.064 3368 W CA -0.603 56.858 57.345 0.193 0.000 1.236 3368 W CB 1.014 30.751 29.460 0.462 0.000 1.405 3368 W HN 0.329 nan 8.180 nan 0.000 0.478 3369 L N 3.454 124.748 121.223 0.119 0.000 2.322 3369 L HA 0.821 5.161 4.340 -0.000 0.000 0.281 3369 L C 0.657 177.357 176.870 -0.284 0.000 1.014 3369 L CA -0.941 53.805 54.840 -0.157 0.000 0.815 3369 L CB 1.231 43.211 42.059 -0.131 0.000 1.247 3369 L HN 0.565 nan 8.230 nan 0.000 0.421 3370 G N 2.540 110.950 108.800 -0.650 0.000 2.389 3370 G HA2 0.798 4.758 3.960 -0.000 0.000 0.328 3370 G HA3 0.798 4.758 3.960 -0.000 0.000 0.328 3370 G C -0.802 173.777 174.900 -0.535 0.000 1.133 3370 G CA -0.491 44.270 45.100 -0.565 0.000 0.891 3370 G HN 0.787 nan 8.290 nan 0.000 0.485 3371 R N -0.803 119.205 120.500 -0.820 0.000 2.716 3371 R HA 0.582 4.921 4.340 -0.000 0.000 0.271 3371 R C -0.417 175.326 176.300 -0.928 0.000 1.028 3371 R CA -0.828 54.871 56.100 -0.669 0.000 0.883 3371 R CB 0.418 30.523 30.300 -0.324 0.000 1.250 3371 R HN 0.641 nan 8.270 nan 0.000 0.465 3372 T N -0.798 113.508 114.554 -0.414 0.000 2.926 3372 T HA 0.228 4.578 4.350 -0.000 0.000 0.307 3372 T C 1.520 176.131 174.700 -0.149 0.000 1.059 3372 T CA -0.612 61.382 62.100 -0.176 0.000 1.122 3372 T CB 0.469 69.372 68.868 0.058 0.000 0.972 3372 T HN 0.558 nan 8.240 nan 0.000 0.545 3373 I N 1.073 121.598 120.570 -0.075 0.000 2.286 3373 I HA -0.059 4.111 4.170 -0.000 0.000 0.245 3373 I C 2.001 178.102 176.117 -0.027 0.000 1.104 3373 I CA 0.644 61.913 61.300 -0.053 0.000 1.397 3373 I CB -0.421 37.568 38.000 -0.019 0.000 1.072 3373 I HN 0.699 nan 8.210 nan 0.000 0.417 3374 S N 1.685 117.387 115.700 0.003 0.000 2.549 3374 S HA -0.015 4.455 4.470 -0.000 0.000 0.283 3374 S C 1.299 175.909 174.600 0.017 0.000 1.320 3374 S CA -0.466 57.745 58.200 0.018 0.000 1.058 3374 S CB 0.624 63.856 63.200 0.052 0.000 0.882 3374 S HN 0.371 nan 8.310 nan 0.000 0.498 3375 K N 2.905 123.312 120.400 0.011 0.000 2.432 3375 K HA 0.027 4.347 4.320 -0.000 0.000 0.196 3375 K C 0.027 176.644 176.600 0.027 0.000 1.038 3375 K CA 0.874 57.166 56.287 0.009 0.000 0.986 3375 K CB 0.060 32.558 32.500 -0.003 0.000 0.782 3375 K HN 0.484 nan 8.250 nan 0.000 0.485 3376 D N 0.490 120.917 120.400 0.044 0.000 2.525 3376 D HA 0.087 4.727 4.640 -0.000 0.000 0.248 3376 D C 0.211 176.562 176.300 0.086 0.000 1.000 3376 D CA 0.342 54.376 54.000 0.056 0.000 0.923 3376 D CB 0.554 41.387 40.800 0.055 0.000 1.101 3376 D HN 0.050 nan 8.370 nan 0.000 0.493 3377 S N -0.355 115.416 115.700 0.119 0.000 2.677 3377 S HA 0.464 4.934 4.470 -0.000 0.000 0.304 3377 S C 0.058 174.789 174.600 0.218 0.000 1.108 3377 S CA -0.754 57.555 58.200 0.181 0.000 0.944 3377 S CB 2.209 65.577 63.200 0.279 0.000 1.127 3377 S HN -0.056 nan 8.310 nan 0.000 0.511 3378 R N 1.994 122.658 120.500 0.273 0.000 4.164 3378 R HA 0.238 4.578 4.340 -0.000 0.000 0.195 3378 R C -0.297 176.265 176.300 0.437 0.000 1.712 3378 R CA -0.158 56.128 56.100 0.310 0.000 1.457 3378 R CB -0.376 30.089 30.300 0.274 0.000 1.387 3378 R HN 0.577 nan 8.270 nan 0.000 0.785 3379 S N -0.640 115.251 115.700 0.318 0.000 2.536 3379 S HA 0.782 5.252 4.470 -0.000 0.000 0.287 3379 S C 0.211 174.883 174.600 0.119 0.000 1.101 3379 S CA -0.341 57.983 58.200 0.206 0.000 0.950 3379 S CB 2.281 65.464 63.200 -0.028 0.000 1.056 3379 S HN 0.603 nan 8.310 nan 0.000 0.481 3380 G N 0.759 109.622 108.800 0.104 0.000 2.880 3380 G HA2 0.025 3.985 3.960 -0.000 0.000 0.617 3380 G HA3 0.025 3.985 3.960 -0.000 0.000 0.617 3380 G C -1.190 173.856 174.900 0.243 0.000 1.493 3380 G CA -0.180 44.995 45.100 0.124 0.000 0.916 3380 G HN 1.691 nan 8.290 nan 0.000 0.553 3381 Y N 0.555 120.924 120.300 0.116 0.000 2.436 3381 Y HA 0.537 5.087 4.550 -0.000 0.000 0.327 3381 Y C -0.320 175.649 175.900 0.114 0.000 1.138 3381 Y CA -0.188 57.987 58.100 0.125 0.000 1.042 3381 Y CB 1.546 40.115 38.460 0.181 0.000 1.302 3381 Y HN 1.024 nan 8.280 nan 0.000 0.439 3382 E N 5.347 125.413 120.200 -0.224 0.000 2.340 3382 E HA 0.592 4.942 4.350 -0.000 0.000 0.273 3382 E C -1.625 174.920 176.600 -0.091 0.000 0.891 3382 E CA -1.273 55.111 56.400 -0.027 0.000 0.757 3382 E CB 2.420 32.098 29.700 -0.038 0.000 1.231 3382 E HN 0.363 nan 8.360 nan 0.000 0.439 3383 M N 2.837 122.487 119.600 0.082 0.000 2.205 3383 M HA 0.426 4.906 4.480 -0.000 0.000 0.344 3383 M C -1.004 175.505 176.300 0.347 0.000 1.085 3383 M CA -0.684 54.697 55.300 0.134 0.000 1.001 3383 M CB 0.953 33.567 32.600 0.024 0.000 1.626 3383 M HN 0.604 nan 8.290 nan 0.000 0.442 3384 L N 2.729 124.108 121.223 0.261 0.000 2.349 3384 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 3384 L C 0.145 176.967 176.870 -0.080 0.000 0.996 3384 L CA -0.715 54.183 54.840 0.097 0.000 0.825 3384 L CB 2.005 44.052 42.059 -0.020 0.000 1.243 3384 L HN 0.624 nan 8.230 nan 0.000 0.412 3385 K N 3.161 123.216 120.400 -0.575 0.000 2.310 3385 K HA 0.354 4.674 4.320 -0.000 0.000 0.290 3385 K C -0.800 175.509 176.600 -0.485 0.000 1.077 3385 K CA -0.236 55.397 56.287 -1.090 0.000 0.922 3385 K CB 1.071 32.626 32.500 -1.575 0.000 1.057 3385 K HN 0.416 nan 8.250 nan 0.000 0.479 3386 V N 6.721 126.436 119.914 -0.332 0.000 2.340 3386 V HA 0.416 4.536 4.120 -0.000 0.000 0.277 3386 V C -2.701 173.310 176.094 -0.138 0.000 1.017 3386 V CA -2.614 59.576 62.300 -0.183 0.000 0.820 3386 V CB 1.236 32.990 31.823 -0.114 0.000 1.028 3386 V HN 0.670 nan 8.190 nan 0.000 0.436 3387 P HA 0.237 nan 4.420 nan 0.000 0.265 3387 P C 0.231 177.506 177.300 -0.042 0.000 1.193 3387 P CA 0.567 63.618 63.100 -0.082 0.000 0.765 3387 P CB 0.208 31.863 31.700 -0.075 0.000 0.823 3388 N N 0.905 119.597 118.700 -0.014 0.000 2.741 3388 N HA -0.263 4.477 4.740 -0.000 0.000 0.251 3388 N C 1.039 176.552 175.510 0.005 0.000 1.112 3388 N CA 1.077 54.130 53.050 0.004 0.000 0.750 3388 N CB -1.547 36.940 38.487 -0.002 0.000 1.119 3388 N HN 0.529 nan 8.380 nan 0.000 0.561 3389 A N 0.582 123.402 122.820 -0.000 0.000 1.997 3389 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 3389 A C 2.086 179.682 177.584 0.021 0.000 1.172 3389 A CA 2.102 54.139 52.037 0.001 0.000 0.645 3389 A CB -0.384 18.614 19.000 -0.005 0.000 0.813 3389 A HN 0.579 nan 8.150 nan 0.000 0.454 3390 E N -0.950 119.273 120.200 0.038 0.000 2.208 3390 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 3390 E C 1.725 178.349 176.600 0.039 0.000 0.988 3390 E CA 1.582 58.011 56.400 0.048 0.000 0.828 3390 E CB 0.055 29.794 29.700 0.066 0.000 0.763 3390 E HN 0.785 nan 8.360 nan 0.000 0.478 3391 T N -3.132 111.440 114.554 0.030 0.000 2.958 3391 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 3391 T C 0.155 174.864 174.700 0.016 0.000 0.983 3391 T CA -0.331 61.784 62.100 0.025 0.000 0.924 3391 T CB 0.382 69.264 68.868 0.023 0.000 1.136 3391 T HN -0.106 nan 8.240 nan 0.000 0.506 3392 D N 1.919 122.324 120.400 0.009 0.000 2.392 3392 D HA 0.312 4.952 4.640 -0.000 0.000 0.228 3392 D C 1.399 177.697 176.300 -0.003 0.000 1.074 3392 D CA -1.097 52.904 54.000 0.001 0.000 0.838 3392 D CB 1.010 41.807 40.800 -0.005 0.000 1.067 3392 D HN 0.444 nan 8.370 nan 0.000 0.511 3393 I N 0.463 121.030 120.570 -0.004 0.000 2.756 3393 I HA -0.100 4.070 4.170 -0.000 0.000 0.262 3393 I C 0.944 177.051 176.117 -0.016 0.000 1.225 3393 I CA 0.787 62.081 61.300 -0.009 0.000 1.472 3393 I CB -0.002 37.990 38.000 -0.012 0.000 1.094 3393 I HN 0.279 nan 8.210 nan 0.000 0.454 3394 Q N 1.832 121.622 119.800 -0.016 0.000 2.319 3394 Q HA 0.143 4.483 4.340 -0.000 0.000 0.202 3394 Q C 0.597 176.583 176.000 -0.024 0.000 0.896 3394 Q CA 0.104 55.896 55.803 -0.020 0.000 0.942 3394 Q CB 0.438 29.165 28.738 -0.018 0.000 1.083 3394 Q HN 0.674 nan 8.270 nan 0.000 0.510 3395 S N 0.192 115.878 115.700 -0.024 0.000 2.515 3395 S HA 0.380 4.850 4.470 -0.000 0.000 0.285 3395 S C 0.372 174.947 174.600 -0.040 0.000 1.265 3395 S CA -0.237 57.943 58.200 -0.033 0.000 1.079 3395 S CB 1.206 64.387 63.200 -0.031 0.000 0.877 3395 S HN 0.249 nan 8.310 nan 0.000 0.493 3396 G N 2.145 110.917 108.800 -0.047 0.000 2.735 3396 G HA2 0.707 4.667 3.960 -0.000 0.000 0.301 3396 G HA3 0.707 4.667 3.960 -0.000 0.000 0.301 3396 G C -3.270 171.587 174.900 -0.071 0.000 1.279 3396 G CA -2.208 42.861 45.100 -0.052 0.000 1.019 3396 G HN 0.559 nan 8.290 nan 0.000 0.497 3397 P HA 0.247 nan 4.420 nan 0.000 0.276 3397 P C 0.733 177.979 177.300 -0.090 0.000 1.230 3397 P CA -0.293 62.750 63.100 -0.095 0.000 0.776 3397 P CB 0.982 32.642 31.700 -0.067 0.000 0.888 3398 I N -0.241 120.252 120.570 -0.128 0.000 4.057 3398 I HA 0.271 4.441 4.170 -0.000 0.000 0.334 3398 I C 0.037 176.105 176.117 -0.083 0.000 1.308 3398 I CA -0.036 61.205 61.300 -0.099 0.000 1.125 3398 I CB 0.241 38.176 38.000 -0.108 0.000 1.034 3398 I HN 0.254 nan 8.210 nan 0.000 0.401 3399 S N 1.157 116.793 115.700 -0.108 0.000 2.587 3399 S HA 0.617 5.087 4.470 -0.000 0.000 0.269 3399 S C -1.103 173.519 174.600 0.037 0.000 1.154 3399 S CA -0.696 57.490 58.200 -0.023 0.000 0.824 3399 S CB 1.681 64.888 63.200 0.011 0.000 1.118 3399 S HN 0.594 nan 8.310 nan 0.000 0.462 3400 N N -0.200 118.598 118.700 0.162 0.000 2.494 3400 N HA 0.585 5.325 4.740 -0.000 0.000 0.270 3400 N C -1.694 174.007 175.510 0.319 0.000 1.285 3400 N CA -0.789 52.405 53.050 0.240 0.000 0.812 3400 N CB 2.005 40.572 38.487 0.135 0.000 1.557 3400 N HN 0.837 nan 8.380 nan 0.000 0.487 3401 Q N 1.532 121.547 119.800 0.359 0.000 2.275 3401 Q HA 0.357 4.697 4.340 -0.000 0.000 0.258 3401 Q C -1.734 174.441 176.000 0.291 0.000 0.960 3401 Q CA -0.824 55.186 55.803 0.346 0.000 0.801 3401 Q CB 1.958 30.971 28.738 0.460 0.000 1.302 3401 Q HN 0.587 nan 8.270 nan 0.000 0.433 3402 V N 6.088 126.150 119.914 0.248 0.000 2.521 3402 V HA 0.023 4.143 4.120 -0.000 0.000 0.286 3402 V C 1.049 177.332 176.094 0.315 0.000 1.034 3402 V CA 0.268 62.708 62.300 0.233 0.000 1.045 3402 V CB 0.691 32.619 31.823 0.175 0.000 0.974 3402 V HN 0.809 nan 8.190 nan 0.000 0.480 3403 I N 4.907 125.697 120.570 0.366 0.000 2.927 3403 I HA 0.160 4.330 4.170 -0.000 0.000 0.268 3403 I C 0.502 176.871 176.117 0.420 0.000 1.153 3403 I CA 1.162 62.741 61.300 0.465 0.000 1.459 3403 I CB 0.303 38.627 38.000 0.540 0.000 1.149 3403 I HN 0.344 nan 8.210 nan 0.000 0.443 3404 V N 3.233 123.359 119.914 0.353 0.000 2.569 3404 V HA 0.227 4.347 4.120 -0.000 0.000 0.301 3404 V C -0.437 175.770 176.094 0.188 0.000 1.044 3404 V CA -1.216 61.255 62.300 0.286 0.000 0.874 3404 V CB 1.681 33.692 31.823 0.313 0.000 1.002 3404 V HN 0.405 nan 8.190 nan 0.000 0.424 3405 N N 2.889 121.656 118.700 0.111 0.000 2.340 3405 N HA -0.039 4.701 4.740 -0.000 0.000 0.236 3405 N C 0.671 176.163 175.510 -0.029 0.000 1.296 3405 N CA 0.204 53.269 53.050 0.024 0.000 0.896 3405 N CB 0.240 38.706 38.487 -0.034 0.000 1.127 3405 N HN 0.690 nan 8.380 nan 0.000 0.442 3406 N N -0.776 117.893 118.700 -0.052 0.000 2.521 3406 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 3406 N C -0.024 175.374 175.510 -0.186 0.000 1.146 3406 N CA 0.024 53.021 53.050 -0.088 0.000 0.893 3406 N CB 0.116 38.567 38.487 -0.060 0.000 0.975 3406 N HN 0.520 nan 8.380 nan 0.000 0.451 3407 Q N -0.126 119.545 119.800 -0.214 0.000 2.320 3407 Q HA 0.247 4.587 4.340 -0.000 0.000 0.201 3407 Q C -0.741 175.011 176.000 -0.414 0.000 0.910 3407 Q CA 0.187 55.812 55.803 -0.296 0.000 0.946 3407 Q CB 0.416 29.012 28.738 -0.237 0.000 1.062 3407 Q HN 0.202 nan 8.270 nan 0.000 0.503 3408 N N -0.878 117.596 118.700 -0.377 0.000 2.321 3408 N HA 0.282 5.022 4.740 -0.000 0.000 0.290 3408 N C -1.244 174.092 175.510 -0.290 0.000 1.212 3408 N CA -0.586 52.250 53.050 -0.357 0.000 0.767 3408 N CB 1.075 39.488 38.487 -0.122 0.000 1.494 3408 N HN 0.079 nan 8.380 nan 0.000 0.479 3409 W N 1.220 122.575 121.300 0.091 0.000 2.272 3409 W HA 0.221 4.881 4.660 -0.000 0.000 0.318 3409 W C 1.381 177.990 176.519 0.151 0.000 1.255 3409 W CA -0.352 57.057 57.345 0.106 0.000 1.200 3409 W CB 0.662 30.172 29.460 0.084 0.000 1.170 3409 W HN 0.491 nan 8.180 nan 0.000 0.549 3410 S N 2.034 117.996 115.700 0.437 0.000 2.869 3410 S HA 0.966 5.436 4.470 -0.000 0.000 0.237 3410 S C 0.297 175.101 174.600 0.339 0.000 1.077 3410 S CA -0.092 58.328 58.200 0.368 0.000 1.140 3410 S CB 1.139 64.594 63.200 0.425 0.000 1.187 3410 S HN 0.769 nan 8.310 nan 0.000 0.571 3411 G N -0.880 108.125 108.800 0.341 0.000 2.552 3411 G HA2 0.354 4.314 3.960 -0.000 0.000 0.137 3411 G HA3 0.354 4.314 3.960 -0.000 0.000 0.137 3411 G C -1.645 173.528 174.900 0.455 0.000 1.135 3411 G CA -0.764 44.537 45.100 0.334 0.000 1.047 3411 G HN 0.491 nan 8.290 nan 0.000 0.501 3412 Y N 1.636 122.060 120.300 0.206 0.000 2.550 3412 Y HA 0.486 5.036 4.550 -0.000 0.000 0.343 3412 Y C 1.222 177.201 175.900 0.133 0.000 1.245 3412 Y CA -0.283 57.942 58.100 0.209 0.000 1.462 3412 Y CB 0.910 39.527 38.460 0.262 0.000 1.340 3412 Y HN 0.682 nan 8.280 nan 0.000 0.604 3413 S N 0.016 115.794 115.700 0.130 0.000 2.546 3413 S HA 0.939 5.409 4.470 -0.000 0.000 0.274 3413 S C -0.447 173.931 174.600 -0.371 0.000 1.121 3413 S CA -0.446 57.601 58.200 -0.256 0.000 0.887 3413 S CB 2.205 65.378 63.200 -0.044 0.000 1.094 3413 S HN 1.004 nan 8.310 nan 0.000 0.474 3414 G N -0.177 107.961 108.800 -1.104 0.000 2.660 3414 G HA2 0.765 4.725 3.960 -0.000 0.000 0.290 3414 G HA3 0.765 4.725 3.960 -0.000 0.000 0.290 3414 G C -1.178 173.370 174.900 -0.587 0.000 1.432 3414 G CA -0.405 44.368 45.100 -0.544 0.000 0.807 3414 G HN 1.184 nan 8.290 nan 0.000 0.485 3415 A N -0.392 122.298 122.820 -0.216 0.000 2.303 3415 A HA 0.962 5.282 4.320 -0.000 0.000 0.317 3415 A C -0.650 177.144 177.584 0.351 0.000 1.149 3415 A CA -0.472 51.516 52.037 -0.082 0.000 0.822 3415 A CB 0.480 19.343 19.000 -0.227 0.000 1.131 3415 A HN 1.915 nan 8.150 nan 0.000 0.493 3416 F N -0.655 119.413 119.950 0.196 0.000 2.713 3416 F HA 0.842 5.369 4.527 -0.000 0.000 0.311 3416 F C -1.451 174.409 175.800 0.101 0.000 1.141 3416 F CA -1.385 56.725 58.000 0.184 0.000 0.939 3416 F CB 1.081 40.179 39.000 0.162 0.000 1.325 3416 F HN 0.427 nan 8.300 nan 0.000 0.453 3417 I N 1.317 121.851 120.570 -0.060 0.000 2.752 3417 I HA 0.216 4.386 4.170 -0.000 0.000 0.295 3417 I C -1.514 174.367 176.117 -0.393 0.000 1.219 3417 I CA -0.718 60.268 61.300 -0.523 0.000 1.030 3417 I CB 2.138 39.515 38.000 -1.037 0.000 1.259 3417 I HN 0.666 nan 8.210 nan 0.000 0.423 3418 D N 4.689 124.969 120.400 -0.200 0.000 2.470 3418 D HA 0.092 4.732 4.640 -0.000 0.000 0.226 3418 D C 0.458 176.704 176.300 -0.090 0.000 1.196 3418 D CA 0.222 54.259 54.000 0.062 0.000 0.979 3418 D CB 0.182 41.068 40.800 0.144 0.000 1.059 3418 D HN 0.280 nan 8.370 nan 0.000 0.515 3419 Y N 1.084 121.249 120.300 -0.226 0.000 2.616 3419 Y HA -0.006 4.544 4.550 -0.000 0.000 0.296 3419 Y C 1.283 176.853 175.900 -0.549 0.000 1.154 3419 Y CA 0.372 58.015 58.100 -0.761 0.000 1.325 3419 Y CB 0.109 37.711 38.460 -1.431 0.000 1.007 3419 Y HN 0.554 nan 8.280 nan 0.000 0.542 3420 W N -0.303 121.110 121.300 0.188 0.000 3.123 3420 W HA 0.547 5.206 4.660 -0.000 0.000 0.383 3420 W C 0.612 177.206 176.519 0.124 0.000 1.102 3420 W CA -0.461 56.980 57.345 0.160 0.000 1.865 3420 W CB -0.331 29.189 29.460 0.099 0.000 1.111 3420 W HN -0.149 nan 8.180 nan 0.000 0.621 3421 A N 1.296 124.275 122.820 0.266 0.000 2.466 3421 A HA -0.025 4.294 4.320 -0.000 0.000 0.238 3421 A C 0.604 178.278 177.584 0.150 0.000 1.074 3421 A CA 0.041 52.185 52.037 0.179 0.000 0.774 3421 A CB 0.025 19.101 19.000 0.126 0.000 1.015 3421 A HN 0.354 nan 8.150 nan 0.000 0.498 3422 N N 0.961 119.725 118.700 0.107 0.000 3.303 3422 N HA 0.129 4.869 4.740 -0.000 0.000 0.304 3422 N C -0.543 174.998 175.510 0.053 0.000 1.302 3422 N CA 0.032 53.130 53.050 0.080 0.000 1.213 3422 N CB -0.264 38.261 38.487 0.062 0.000 1.481 3422 N HN 0.512 nan 8.380 nan 0.000 0.546 3423 K N 0.248 120.680 120.400 0.054 0.000 2.444 3423 K HA 0.149 4.469 4.320 -0.000 0.000 0.252 3423 K C 0.468 177.065 176.600 -0.006 0.000 0.993 3423 K CA -0.756 55.542 56.287 0.019 0.000 0.847 3423 K CB 1.362 33.872 32.500 0.017 0.000 1.340 3423 K HN 0.208 nan 8.250 nan 0.000 0.446 3424 E N -0.297 119.881 120.200 -0.036 0.000 2.478 3424 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 3424 E C 0.483 176.999 176.600 -0.140 0.000 1.045 3424 E CA 0.054 56.411 56.400 -0.072 0.000 0.868 3424 E CB -0.328 29.340 29.700 -0.053 0.000 0.885 3424 E HN 0.582 nan 8.360 nan 0.000 0.505 3425 c N -0.571 117.951 118.600 -0.129 0.000 2.889 3425 c HA 0.766 5.336 4.570 -0.000 0.000 0.307 3425 c C -0.477 173.559 174.090 -0.091 0.000 1.251 3425 c CA -1.397 54.822 56.329 -0.184 0.000 1.593 3425 c CB 0.305 42.755 42.510 -0.100 0.000 2.104 3425 c HN 0.015 nan 8.230 nan 0.000 0.476 3426 F N 2.428 122.364 119.950 -0.023 0.000 2.421 3426 F HA 0.366 4.892 4.527 -0.000 0.000 0.358 3426 F C 0.932 176.639 175.800 -0.156 0.000 1.115 3426 F CA -0.499 57.456 58.000 -0.075 0.000 1.160 3426 F CB 0.058 39.064 39.000 0.010 0.000 1.123 3426 F HN 0.714 nan 8.300 nan 0.000 0.508 3427 N N 5.323 124.014 118.700 -0.015 0.000 2.422 3427 N HA 0.216 4.956 4.740 -0.000 0.000 0.264 3427 N C -2.604 172.707 175.510 -0.332 0.000 1.063 3427 N CA -1.578 51.368 53.050 -0.173 0.000 0.959 3427 N CB 0.956 39.362 38.487 -0.134 0.000 1.087 3427 N HN 0.136 nan 8.380 nan 0.000 0.483 3428 P HA -0.002 nan 4.420 nan 0.000 0.262 3428 P C -0.708 176.301 177.300 -0.484 0.000 1.182 3428 P CA -0.080 62.449 63.100 -0.953 0.000 0.761 3428 P CB 0.446 31.189 31.700 -1.595 0.000 0.795 3429 c N 3.738 122.047 118.600 -0.484 0.000 2.779 3429 c HA 0.852 5.422 4.570 -0.000 0.000 0.314 3429 c C -0.320 173.543 174.090 -0.379 0.000 1.231 3429 c CA -0.366 55.624 56.329 -0.566 0.000 1.652 3429 c CB 0.908 42.584 42.510 -1.391 0.000 2.198 3429 c HN 0.670 nan 8.230 nan 0.000 0.483 3430 F N -0.050 119.638 119.950 -0.437 0.000 2.662 3430 F HA 0.836 5.363 4.527 -0.000 0.000 0.312 3430 F C -1.154 174.624 175.800 -0.037 0.000 1.113 3430 F CA -1.182 56.567 58.000 -0.418 0.000 0.951 3430 F CB 0.963 39.303 39.000 -1.099 0.000 1.344 3430 F HN 0.718 nan 8.300 nan 0.000 0.462 3431 Y N -0.302 119.972 120.300 -0.043 0.000 2.602 3431 Y HA 0.888 5.438 4.550 -0.000 0.000 0.342 3431 Y C -1.962 173.916 175.900 -0.036 0.000 1.029 3431 Y CA -1.938 56.092 58.100 -0.117 0.000 1.080 3431 Y CB 1.636 40.074 38.460 -0.037 0.000 1.284 3431 Y HN 0.581 nan 8.280 nan 0.000 0.485 3432 V N 1.879 121.820 119.914 0.045 0.000 2.531 3432 V HA 0.261 4.381 4.120 -0.000 0.000 0.301 3432 V C -0.548 175.680 176.094 0.223 0.000 1.034 3432 V CA -0.998 61.291 62.300 -0.018 0.000 0.865 3432 V CB 1.481 33.215 31.823 -0.149 0.000 0.995 3432 V HN 0.890 nan 8.190 nan 0.000 0.424 3433 E N 4.709 125.094 120.200 0.308 0.000 2.290 3433 E HA 0.344 4.694 4.350 -0.000 0.000 0.277 3433 E C -1.165 175.569 176.600 0.224 0.000 1.035 3433 E CA -0.405 56.167 56.400 0.286 0.000 0.873 3433 E CB 0.790 30.681 29.700 0.318 0.000 1.029 3433 E HN 0.617 nan 8.360 nan 0.000 0.419 3434 L N 7.202 128.545 121.223 0.200 0.000 2.335 3434 L HA 0.377 4.717 4.340 -0.000 0.000 0.268 3434 L C -0.107 176.885 176.870 0.203 0.000 1.037 3434 L CA -0.556 54.416 54.840 0.220 0.000 0.895 3434 L CB 0.496 42.682 42.059 0.211 0.000 1.266 3434 L HN 0.521 nan 8.230 nan 0.000 0.439 3435 I N 3.533 124.221 120.570 0.196 0.000 2.533 3435 I HA 0.170 4.340 4.170 -0.000 0.000 0.284 3435 I C 0.316 176.507 176.117 0.123 0.000 1.109 3435 I CA -0.051 61.323 61.300 0.124 0.000 1.412 3435 I CB 0.293 38.327 38.000 0.056 0.000 1.396 3435 I HN 0.489 nan 8.210 nan 0.000 0.543 3436 R N 4.132 124.707 120.500 0.124 0.000 2.778 3436 R HA 0.755 5.094 4.340 -0.000 0.000 0.277 3436 R C 0.283 176.566 176.300 -0.029 0.000 0.977 3436 R CA -0.323 55.842 56.100 0.109 0.000 0.950 3436 R CB 1.457 31.911 30.300 0.257 0.000 1.165 3436 R HN 0.897 nan 8.270 nan 0.000 0.474 3437 G N 1.616 110.210 108.800 -0.344 0.000 2.499 3437 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.232 3437 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.232 3437 G C -0.750 173.896 174.900 -0.423 0.000 1.251 3437 G CA -0.553 44.164 45.100 -0.637 0.000 0.917 3437 G HN 0.527 nan 8.290 nan 0.000 0.580 3438 R N 1.510 121.800 120.500 -0.350 0.000 2.694 3438 R HA 0.295 4.635 4.340 -0.000 0.000 0.268 3438 R C -1.164 175.006 176.300 -0.217 0.000 1.061 3438 R CA -0.551 55.397 56.100 -0.255 0.000 1.133 3438 R CB 0.753 30.945 30.300 -0.178 0.000 1.020 3438 R HN 0.454 nan 8.270 nan 0.000 0.475 3439 P HA -0.011 nan 4.420 nan 0.000 0.239 3439 P C 0.206 177.347 177.300 -0.265 0.000 1.188 3439 P CA 0.686 63.666 63.100 -0.198 0.000 0.794 3439 P CB 0.410 32.026 31.700 -0.140 0.000 0.937 3440 K N 0.688 120.834 120.400 -0.424 0.000 2.211 3440 K HA -0.018 4.301 4.320 -0.000 0.000 0.203 3440 K C 0.612 176.965 176.600 -0.412 0.000 1.050 3440 K CA 0.892 56.830 56.287 -0.582 0.000 0.945 3440 K CB -0.025 31.645 32.500 -1.383 0.000 0.732 3440 K HN 0.420 nan 8.250 nan 0.000 0.451 3441 E N 0.757 120.724 120.200 -0.389 0.000 2.489 3441 E HA 0.091 4.441 4.350 -0.000 0.000 0.232 3441 E C -0.127 176.304 176.600 -0.281 0.000 0.990 3441 E CA -0.182 56.066 56.400 -0.254 0.000 0.768 3441 E CB 1.087 30.638 29.700 -0.249 0.000 1.270 3441 E HN 0.036 nan 8.360 nan 0.000 0.423 3442 S N 0.106 115.687 115.700 -0.199 0.000 2.631 3442 S HA -0.086 4.384 4.470 -0.000 0.000 0.217 3442 S C 1.715 176.217 174.600 -0.163 0.000 0.958 3442 S CA 0.137 58.227 58.200 -0.184 0.000 0.920 3442 S CB -0.029 63.097 63.200 -0.124 0.000 0.776 3442 S HN 0.344 nan 8.310 nan 0.000 0.517 3443 S N 1.113 116.718 115.700 -0.159 0.000 2.515 3443 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 3443 S C 0.732 175.238 174.600 -0.157 0.000 0.987 3443 S CA 0.192 58.323 58.200 -0.115 0.000 0.936 3443 S CB -0.841 62.320 63.200 -0.065 0.000 0.766 3443 S HN 0.760 nan 8.310 nan 0.000 0.528 3444 V N -2.412 117.311 119.914 -0.318 0.000 3.103 3444 V HA 0.645 4.765 4.120 -0.000 0.000 0.318 3444 V C 0.649 176.490 176.094 -0.421 0.000 1.114 3444 V CA -1.065 60.965 62.300 -0.449 0.000 1.020 3444 V CB 1.271 32.436 31.823 -1.096 0.000 1.085 3444 V HN 0.077 nan 8.190 nan 0.000 0.446 3445 L N 1.457 122.502 121.223 -0.297 0.000 2.607 3445 L HA 0.363 4.703 4.340 -0.000 0.000 0.228 3445 L C 0.530 177.383 176.870 -0.029 0.000 1.123 3445 L CA 0.107 54.885 54.840 -0.104 0.000 0.890 3445 L CB -0.499 41.575 42.059 0.025 0.000 1.103 3445 L HN 0.863 nan 8.230 nan 0.000 0.468 3446 W N -1.604 119.665 121.300 -0.052 0.000 2.703 3446 W HA 0.691 5.351 4.660 -0.000 0.000 0.359 3446 W C -0.889 175.576 176.519 -0.090 0.000 1.168 3446 W CA -0.816 56.492 57.345 -0.062 0.000 1.177 3446 W CB 0.552 29.970 29.460 -0.070 0.000 1.434 3446 W HN -0.297 nan 8.180 nan 0.000 0.618 3447 T N 1.447 116.228 114.554 0.378 0.000 2.928 3447 T HA 0.422 4.771 4.350 -0.000 0.000 0.296 3447 T C -0.839 174.038 174.700 0.294 0.000 1.000 3447 T CA -0.175 62.074 62.100 0.247 0.000 0.989 3447 T CB 2.012 70.923 68.868 0.071 0.000 1.005 3447 T HN 0.542 nan 8.240 nan 0.000 0.442 3448 S N 2.522 118.404 115.700 0.303 0.000 2.929 3448 S HA 0.824 5.294 4.470 -0.000 0.000 0.311 3448 S C -1.727 172.933 174.600 0.100 0.000 1.213 3448 S CA -0.712 57.556 58.200 0.113 0.000 0.908 3448 S CB 1.254 64.419 63.200 -0.057 0.000 1.287 3448 S HN 1.007 nan 8.310 nan 0.000 0.594 3449 N N -0.702 118.030 118.700 0.053 0.000 2.961 3449 N HA 0.571 5.310 4.740 -0.000 0.000 0.245 3449 N C -1.115 174.440 175.510 0.074 0.000 1.404 3449 N CA -0.319 52.782 53.050 0.084 0.000 0.880 3449 N CB 1.484 40.023 38.487 0.086 0.000 1.461 3449 N HN 0.664 nan 8.380 nan 0.000 0.510 3450 S N -0.050 115.715 115.700 0.109 0.000 2.798 3450 S HA 0.795 5.265 4.470 -0.000 0.000 0.312 3450 S C -0.739 173.936 174.600 0.126 0.000 1.122 3450 S CA -0.817 57.447 58.200 0.108 0.000 0.949 3450 S CB 0.759 64.027 63.200 0.112 0.000 1.235 3450 S HN 0.582 nan 8.310 nan 0.000 0.552 3451 I N 0.454 121.092 120.570 0.115 0.000 2.730 3451 I HA 0.674 4.844 4.170 -0.000 0.000 0.298 3451 I C -1.174 174.980 176.117 0.061 0.000 1.089 3451 I CA -1.091 60.268 61.300 0.098 0.000 1.041 3451 I CB 2.164 40.199 38.000 0.058 0.000 1.235 3451 I HN 0.529 nan 8.210 nan 0.000 0.423 3452 V N 4.309 124.249 119.914 0.044 0.000 2.876 3452 V HA 0.932 5.052 4.120 -0.000 0.000 0.312 3452 V C -1.063 174.955 176.094 -0.126 0.000 1.085 3452 V CA -0.214 62.050 62.300 -0.059 0.000 0.945 3452 V CB 1.962 33.764 31.823 -0.035 0.000 1.017 3452 V HN 0.878 nan 8.190 nan 0.000 0.428 3453 A N 5.845 128.528 122.820 -0.227 0.000 2.449 3453 A HA 0.975 5.295 4.320 -0.000 0.000 0.302 3453 A C -1.827 175.499 177.584 -0.429 0.000 1.048 3453 A CA -0.531 51.352 52.037 -0.256 0.000 0.708 3453 A CB 1.711 20.711 19.000 -0.000 0.000 1.274 3453 A HN 0.820 nan 8.150 nan 0.000 0.410 3454 L N 0.181 121.002 121.223 -0.671 0.000 2.415 3454 L HA 0.751 5.091 4.340 -0.000 0.000 0.256 3454 L C -0.580 176.007 176.870 -0.472 0.000 1.010 3454 L CA -0.193 54.288 54.840 -0.599 0.000 0.826 3454 L CB 2.168 43.892 42.059 -0.559 0.000 1.405 3454 L HN 0.805 nan 8.230 nan 0.000 0.410 3455 c N -0.209 118.129 118.600 -0.437 0.000 2.971 3455 c HA 0.815 5.385 4.570 -0.000 0.000 0.310 3455 c C 0.639 174.600 174.090 -0.215 0.000 1.285 3455 c CA -1.021 55.145 56.329 -0.271 0.000 1.593 3455 c CB 1.747 44.042 42.510 -0.359 0.000 2.076 3455 c HN 0.954 nan 8.230 nan 0.000 0.472 3456 G N 1.095 109.681 108.800 -0.356 0.000 2.554 3456 G HA2 0.449 4.409 3.960 -0.000 0.000 0.238 3456 G HA3 0.449 4.409 3.960 -0.000 0.000 0.238 3456 G C -0.324 174.366 174.900 -0.350 0.000 1.259 3456 G CA 0.284 44.916 45.100 -0.779 0.000 0.843 3456 G HN 0.917 nan 8.290 nan 0.000 0.582 3457 S N 0.044 115.506 115.700 -0.396 0.000 2.547 3457 S HA 0.334 4.804 4.470 -0.000 0.000 0.281 3457 S C 0.857 175.344 174.600 -0.188 0.000 1.118 3457 S CA -0.746 57.357 58.200 -0.161 0.000 0.947 3457 S CB 1.807 64.981 63.200 -0.042 0.000 1.053 3457 S HN 0.691 nan 8.310 nan 0.000 0.482 3458 K N 2.460 122.791 120.400 -0.116 0.000 2.365 3458 K HA 0.075 4.395 4.320 -0.000 0.000 0.199 3458 K C 0.392 176.967 176.600 -0.043 0.000 1.045 3458 K CA 0.695 56.937 56.287 -0.076 0.000 0.962 3458 K CB 0.025 32.490 32.500 -0.058 0.000 0.759 3458 K HN 0.454 nan 8.250 nan 0.000 0.469 3459 K N 0.962 121.338 120.400 -0.039 0.000 2.117 3459 K HA 0.159 4.479 4.320 -0.000 0.000 0.240 3459 K C -0.104 176.498 176.600 0.003 0.000 1.031 3459 K CA -0.427 55.852 56.287 -0.013 0.000 0.909 3459 K CB 0.563 33.056 32.500 -0.011 0.000 1.097 3459 K HN 0.008 nan 8.250 nan 0.000 0.492 3460 R N 1.877 122.391 120.500 0.024 0.000 2.471 3460 R HA 0.311 4.651 4.340 -0.000 0.000 0.292 3460 R C -0.185 176.148 176.300 0.055 0.000 1.192 3460 R CA -0.309 55.821 56.100 0.050 0.000 1.257 3460 R CB -0.373 29.959 30.300 0.054 0.000 1.130 3460 R HN 0.399 nan 8.270 nan 0.000 0.558 3461 L N 0.826 122.089 121.223 0.067 0.000 2.375 3461 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 3461 L C 1.349 178.280 176.870 0.101 0.000 1.107 3461 L CA -0.677 54.210 54.840 0.077 0.000 0.806 3461 L CB 0.941 43.058 42.059 0.096 0.000 1.146 3461 L HN 0.465 nan 8.230 nan 0.000 0.447 3462 G N 1.017 109.861 108.800 0.073 0.000 2.636 3462 G HA2 0.415 4.375 3.960 -0.000 0.000 0.246 3462 G HA3 0.415 4.375 3.960 -0.000 0.000 0.246 3462 G C -0.239 174.730 174.900 0.115 0.000 1.216 3462 G CA -0.123 45.019 45.100 0.071 0.000 0.854 3462 G HN 0.707 nan 8.290 nan 0.000 0.572 3463 S N -0.356 115.427 115.700 0.138 0.000 2.661 3463 S HA 0.839 5.309 4.470 -0.000 0.000 0.285 3463 S C -1.114 173.631 174.600 0.241 0.000 1.138 3463 S CA -0.785 57.555 58.200 0.234 0.000 0.855 3463 S CB 2.128 65.521 63.200 0.322 0.000 1.136 3463 S HN 1.422 nan 8.310 nan 0.000 0.484 3464 W N -0.292 120.996 121.300 -0.020 0.000 3.003 3464 W HA 0.773 5.433 4.660 -0.000 0.000 0.362 3464 W C -0.805 175.567 176.519 -0.245 0.000 1.213 3464 W CA -1.323 55.930 57.345 -0.153 0.000 1.157 3464 W CB 0.513 29.826 29.460 -0.244 0.000 1.493 3464 W HN 0.815 nan 8.180 nan 0.000 0.589 3465 S N 0.160 115.778 115.700 -0.137 0.000 2.528 3465 S HA 0.307 4.777 4.470 -0.000 0.000 0.277 3465 S C -1.020 173.249 174.600 -0.551 0.000 1.297 3465 S CA -0.192 57.944 58.200 -0.106 0.000 1.052 3465 S CB 0.006 63.288 63.200 0.136 0.000 0.917 3465 S HN 0.388 nan 8.310 nan 0.000 0.492 3466 W N 5.912 127.174 121.300 -0.064 0.000 2.385 3466 W HA 0.277 4.937 4.660 -0.000 0.000 0.393 3466 W C 0.884 177.312 176.519 -0.151 0.000 0.720 3466 W CA -0.864 56.371 57.345 -0.184 0.000 2.575 3466 W CB -0.109 29.341 29.460 -0.017 0.000 1.693 3466 W HN 0.703 nan 8.180 nan 0.000 0.767 3467 H N -1.344 117.755 119.070 0.050 0.000 2.745 3467 H HA 0.040 4.596 4.556 -0.000 0.000 0.373 3467 H C 1.022 176.408 175.328 0.096 0.000 1.226 3467 H CA 0.496 56.588 56.048 0.073 0.000 1.435 3467 H CB 0.603 30.365 29.762 0.001 0.000 1.461 3467 H HN 0.151 nan 8.280 nan 0.000 0.616 3468 D N 1.180 121.709 120.400 0.215 0.000 2.126 3468 D HA -0.156 4.484 4.640 -0.000 0.000 0.190 3468 D C 1.679 178.062 176.300 0.138 0.000 1.001 3468 D CA 3.500 57.606 54.000 0.177 0.000 0.841 3468 D CB -0.489 40.443 40.800 0.221 0.000 0.949 3468 D HN 0.981 nan 8.370 nan 0.000 0.446 3469 G N -1.165 107.749 108.800 0.190 0.000 2.175 3469 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.244 3469 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.244 3469 G C 0.362 175.371 174.900 0.181 0.000 0.982 3469 G CA 0.580 45.776 45.100 0.159 0.000 0.641 3469 G HN 0.804 nan 8.290 nan 0.000 0.527 3470 A N -0.275 122.681 122.820 0.227 0.000 2.322 3470 A HA 0.727 5.047 4.320 -0.000 0.000 0.269 3470 A C 0.229 177.965 177.584 0.253 0.000 1.094 3470 A CA 0.348 52.563 52.037 0.297 0.000 0.807 3470 A CB 0.869 20.119 19.000 0.417 0.000 1.047 3470 A HN 0.686 nan 8.150 nan 0.000 0.487 3471 E N 1.460 121.803 120.200 0.238 0.000 2.092 3471 E HA 0.350 4.700 4.350 -0.000 0.000 0.271 3471 E C 0.282 176.994 176.600 0.186 0.000 0.919 3471 E CA -0.514 55.897 56.400 0.018 0.000 0.760 3471 E CB 0.724 30.145 29.700 -0.464 0.000 1.106 3471 E HN 0.443 nan 8.360 nan 0.000 0.408 3472 I N 5.409 126.102 120.570 0.204 0.000 2.335 3472 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 3472 I C 1.737 178.012 176.117 0.262 0.000 1.129 3472 I CA 0.994 62.465 61.300 0.284 0.000 1.402 3472 I CB -0.193 37.874 38.000 0.112 0.000 1.069 3472 I HN 0.851 nan 8.210 nan 0.000 0.424 3473 I N -0.775 119.841 120.570 0.077 0.000 2.454 3473 I HA -0.364 3.806 4.170 -0.000 0.000 0.254 3473 I C 1.987 178.203 176.117 0.165 0.000 1.156 3473 I CA 1.539 62.873 61.300 0.057 0.000 1.433 3473 I CB -0.271 37.705 38.000 -0.041 0.000 1.082 3473 I HN 0.276 nan 8.210 nan 0.000 0.432 3474 Y N -0.572 119.799 120.300 0.118 0.000 2.421 3474 Y HA -0.198 4.352 4.550 -0.000 0.000 0.292 3474 Y C 1.671 177.530 175.900 -0.069 0.000 1.136 3474 Y CA 0.390 58.475 58.100 -0.025 0.000 1.255 3474 Y CB -0.054 38.323 38.460 -0.137 0.000 0.991 3474 Y HN 0.151 nan 8.280 nan 0.000 0.552 3475 F N -0.021 120.101 119.950 0.286 0.000 2.727 3475 F HA 0.089 4.616 4.527 -0.000 0.000 0.302 3475 F C 0.879 176.793 175.800 0.190 0.000 1.097 3475 F CA -0.070 58.099 58.000 0.282 0.000 1.330 3475 F CB 0.052 39.317 39.000 0.441 0.000 1.084 3475 F HN -0.034 nan 8.300 nan 0.000 0.578 3476 E N 0.000 120.368 120.200 0.281 0.000 2.725 3476 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3476 E CA 0.000 56.500 56.400 0.166 0.000 0.976 3476 E CB 0.000 29.767 29.700 0.112 0.000 0.812 3476 E HN 0.000 nan 8.360 nan 0.000 0.440