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 1pjl_1_D DATA FIRST_RESID 3023 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 3023 E HA 0.000 nan 4.350 nan 0.000 0.291 3023 E C 0.000 176.581 176.600 -0.032 0.000 1.382 3023 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 3023 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 3024 K N 0.796 121.170 120.400 -0.043 0.000 2.499 3024 K HA 0.847 5.153 4.320 -0.022 0.000 0.284 3024 K C 0.174 176.729 176.600 -0.074 0.000 1.039 3024 K CA -0.391 55.857 56.287 -0.065 0.000 0.873 3024 K CB 0.893 33.353 32.500 -0.067 0.000 1.545 3024 K HN 1.046 nan 8.250 nan 0.000 0.402 3025 G N 0.945 109.684 108.800 -0.102 0.000 2.642 3025 G HA2 -0.338 3.608 3.960 -0.022 0.000 0.231 3025 G HA3 -0.338 3.608 3.960 -0.022 0.000 0.231 3025 G C 0.399 175.238 174.900 -0.101 0.000 1.338 3025 G CA 0.560 45.601 45.100 -0.099 0.000 0.883 3025 G HN 0.941 nan 8.290 nan 0.000 0.570 3026 K N 0.914 121.269 120.400 -0.074 0.000 2.127 3026 K HA -0.082 4.225 4.320 -0.022 0.000 0.208 3026 K C 0.062 176.640 176.600 -0.037 0.000 1.047 3026 K CA 2.592 58.846 56.287 -0.055 0.000 0.927 3026 K CB -0.906 31.572 32.500 -0.037 0.000 0.716 3026 K HN 0.347 nan 8.250 nan 0.000 0.450 3027 P HA -0.151 nan 4.420 nan 0.000 0.218 3027 P C 0.249 177.545 177.300 -0.007 0.000 1.148 3027 P CA 0.602 63.690 63.100 -0.021 0.000 0.822 3027 P CB 0.080 31.764 31.700 -0.025 0.000 0.784 3031 N N 2.881 121.591 118.700 0.017 0.000 2.437 3031 N HA 0.235 4.962 4.740 -0.022 0.000 0.259 3031 N C -1.887 173.634 175.510 0.018 0.000 0.983 3031 N CA -1.462 51.590 53.050 0.004 0.000 0.937 3031 N CB 2.408 40.895 38.487 0.000 0.000 1.122 3031 N HN -0.083 nan 8.380 nan 0.000 0.499 3032 P HA -0.151 nan 4.420 nan 0.000 0.218 3032 P C 0.771 178.087 177.300 0.027 0.000 1.146 3032 P CA 1.221 64.317 63.100 -0.007 0.000 0.813 3032 P CB 0.372 32.040 31.700 -0.054 0.000 0.778 3033 R N -0.469 120.050 120.500 0.033 0.000 2.153 3033 R HA -0.003 4.324 4.340 -0.022 0.000 0.218 3033 R C 2.261 178.618 176.300 0.095 0.000 1.072 3033 R CA 1.885 58.031 56.100 0.077 0.000 0.990 3033 R CB -0.880 29.453 30.300 0.055 0.000 0.889 3033 R HN 0.372 nan 8.270 nan 0.000 0.452 3034 T N -2.281 112.319 114.554 0.077 0.000 3.023 3034 T HA -0.009 4.328 4.350 -0.022 0.000 0.249 3034 T C 0.799 175.565 174.700 0.109 0.000 1.050 3034 T CA -0.316 61.846 62.100 0.102 0.000 1.088 3034 T CB -0.181 68.755 68.868 0.114 0.000 0.946 3034 T HN -0.015 nan 8.240 nan 0.000 0.480 3035 N N 2.102 120.856 118.700 0.090 0.000 2.483 3035 N HA 0.110 4.837 4.740 -0.022 0.000 0.264 3035 N C 0.116 175.440 175.510 -0.310 0.000 1.197 3035 N CA 0.159 53.238 53.050 0.049 0.000 0.927 3035 N CB 0.593 39.133 38.487 0.088 0.000 1.065 3035 N HN 0.365 nan 8.380 nan 0.000 0.461 3036 K N 2.371 122.192 120.400 -0.965 0.000 2.564 3036 K HA 0.246 4.553 4.320 -0.022 0.000 0.205 3036 K C 0.720 176.860 176.600 -0.767 0.000 1.053 3036 K CA -0.237 55.364 56.287 -1.144 0.000 1.072 3036 K CB 0.253 31.665 32.500 -1.813 0.000 0.822 3036 K HN 0.795 nan 8.250 nan 0.000 0.497 3040 F N 3.063 122.934 119.950 -0.131 0.000 2.571 3040 F HA 0.246 4.760 4.527 -0.021 0.000 0.390 3040 F C 1.686 177.448 175.800 -0.063 0.000 1.043 3040 F CA 1.379 59.309 58.000 -0.117 0.000 1.164 3040 F CB 0.747 39.692 39.000 -0.091 0.000 1.049 3040 F HN 0.279 nan 8.300 nan 0.000 0.552 3041 T N 3.844 118.488 114.554 0.149 0.000 2.903 3041 T HA -0.010 4.326 4.350 -0.022 0.000 0.314 3041 T C 1.171 175.915 174.700 0.073 0.000 1.078 3041 T CA -0.891 61.261 62.100 0.087 0.000 1.114 3041 T CB 0.825 69.731 68.868 0.063 0.000 0.987 3041 T HN 0.578 nan 8.240 nan 0.000 0.548 3042 L N 2.382 123.633 121.223 0.047 0.000 1.997 3042 L HA -0.095 4.231 4.340 -0.022 0.000 0.216 3042 L C 2.752 179.630 176.870 0.014 0.000 1.074 3042 L CA 2.420 57.276 54.840 0.026 0.000 0.763 3042 L CB -1.650 40.421 42.059 0.020 0.000 0.890 3042 L HN 1.009 nan 8.230 nan 0.000 0.434 3043 Q N -0.440 119.370 119.800 0.017 0.000 2.029 3043 Q HA -0.271 4.056 4.340 -0.022 0.000 0.209 3043 Q C 2.078 178.076 176.000 -0.002 0.000 0.999 3043 Q CA 2.837 58.644 55.803 0.008 0.000 0.857 3043 Q CB -0.229 28.518 28.738 0.016 0.000 0.926 3043 Q HN 0.685 nan 8.270 nan 0.000 0.415 3044 E N -0.153 120.056 120.200 0.015 0.000 2.065 3044 E HA -0.284 4.052 4.350 -0.022 0.000 0.201 3044 E C 2.178 178.733 176.600 -0.076 0.000 1.016 3044 E CA 1.466 57.864 56.400 -0.004 0.000 0.818 3044 E CB -0.331 29.417 29.700 0.081 0.000 0.749 3044 E HN 0.315 nan 8.360 nan 0.000 0.453 3045 R N 0.953 121.413 120.500 -0.068 0.000 2.103 3045 R HA -0.105 4.221 4.340 -0.022 0.000 0.242 3045 R C 1.556 177.799 176.300 -0.094 0.000 1.142 3045 R CA 1.160 57.191 56.100 -0.115 0.000 0.960 3045 R CB -0.119 30.148 30.300 -0.055 0.000 0.858 3045 R HN 0.286 nan 8.270 nan 0.000 0.439 3049 G N 1.407 110.139 108.800 -0.114 0.000 2.212 3049 G HA2 -0.249 3.698 3.960 -0.022 0.000 0.255 3049 G HA3 -0.249 3.698 3.960 -0.022 0.000 0.255 3049 G C 0.606 175.433 174.900 -0.122 0.000 1.062 3049 G CA 0.521 45.560 45.100 -0.100 0.000 0.815 3049 G HN 0.299 nan 8.290 nan 0.000 0.497 3050 L N -1.008 120.127 121.223 -0.147 0.000 2.701 3050 L HA 0.242 4.569 4.340 -0.022 0.000 0.238 3050 L C 1.335 178.143 176.870 -0.102 0.000 1.106 3050 L CA -0.231 54.512 54.840 -0.162 0.000 0.898 3050 L CB 0.009 41.892 42.059 -0.293 0.000 1.188 3050 L HN 0.245 nan 8.230 nan 0.000 0.508 3051 Q N 1.258 121.011 119.800 -0.078 0.000 2.274 3051 Q HA 0.132 4.459 4.340 -0.022 0.000 0.280 3051 Q C 1.119 177.097 176.000 -0.037 0.000 1.047 3051 Q CA 1.305 57.079 55.803 -0.048 0.000 0.907 3051 Q CB 0.947 29.662 28.738 -0.038 0.000 1.171 3051 Q HN 0.479 nan 8.270 nan 0.000 0.381 3052 G N 2.530 111.315 108.800 -0.025 0.000 2.254 3052 G HA2 -0.255 3.692 3.960 -0.022 0.000 0.225 3052 G HA3 -0.255 3.692 3.960 -0.022 0.000 0.225 3052 G C 0.633 175.523 174.900 -0.017 0.000 1.003 3052 G CA 0.111 45.200 45.100 -0.018 0.000 0.622 3052 G HN 0.563 nan 8.290 nan 0.000 0.507 3053 L N 0.270 121.478 121.223 -0.025 0.000 2.591 3053 L HA 0.495 4.822 4.340 -0.022 0.000 0.228 3053 L C 0.760 177.629 176.870 -0.002 0.000 1.133 3053 L CA 0.461 55.288 54.840 -0.021 0.000 0.880 3053 L CB 0.066 42.100 42.059 -0.041 0.000 1.033 3053 L HN 0.195 nan 8.230 nan 0.000 0.450 3054 L N -0.657 120.570 121.223 0.006 0.000 2.422 3054 L HA 0.467 4.794 4.340 -0.022 0.000 0.264 3054 L C -2.226 174.660 176.870 0.027 0.000 0.984 3054 L CA -1.884 52.975 54.840 0.031 0.000 0.819 3054 L CB 2.236 44.331 42.059 0.061 0.000 1.330 3054 L HN -0.216 nan 8.230 nan 0.000 0.410 3055 P HA 0.001 nan 4.420 nan 0.000 0.269 3055 P C -2.237 175.078 177.300 0.025 0.000 1.205 3055 P CA -0.606 62.508 63.100 0.025 0.000 0.780 3055 P CB -0.094 31.622 31.700 0.028 0.000 0.858 3056 P HA 0.032 nan 4.420 nan 0.000 0.259 3056 P C -0.091 177.222 177.300 0.023 0.000 1.480 3056 P CA 0.820 63.931 63.100 0.019 0.000 0.842 3056 P CB 0.233 31.941 31.700 0.013 0.000 1.513 3057 K N 1.697 122.114 120.400 0.029 0.000 2.358 3057 K HA 0.326 4.633 4.320 -0.022 0.000 0.260 3057 K C -0.297 176.327 176.600 0.039 0.000 0.956 3057 K CA -0.849 55.456 56.287 0.031 0.000 0.834 3057 K CB 1.518 34.036 32.500 0.030 0.000 1.102 3057 K HN -0.005 nan 8.250 nan 0.000 0.431 3058 I N 3.130 123.723 120.570 0.038 0.000 2.291 3058 I HA 0.304 4.460 4.170 -0.022 0.000 0.290 3058 I C 0.354 176.497 176.117 0.043 0.000 1.050 3058 I CA -0.426 60.900 61.300 0.044 0.000 1.245 3058 I CB 0.542 38.569 38.000 0.044 0.000 1.405 3058 I HN 0.433 nan 8.210 nan 0.000 0.478 3059 E N 3.751 123.979 120.200 0.046 0.000 2.280 3059 E HA 0.429 4.766 4.350 -0.022 0.000 0.264 3059 E C 0.138 176.776 176.600 0.064 0.000 1.064 3059 E CA -0.560 55.871 56.400 0.051 0.000 0.900 3059 E CB 1.616 31.349 29.700 0.054 0.000 1.123 3059 E HN 0.689 nan 8.360 nan 0.000 0.418 3060 T N -1.697 112.896 114.554 0.066 0.000 2.895 3060 T HA 0.090 4.427 4.350 -0.022 0.000 0.283 3060 T C 0.928 175.676 174.700 0.080 0.000 1.014 3060 T CA -0.707 61.438 62.100 0.076 0.000 1.037 3060 T CB 1.732 70.627 68.868 0.045 0.000 1.006 3060 T HN 0.588 nan 8.240 nan 0.000 0.468 3061 Q N 1.321 121.172 119.800 0.085 0.000 2.197 3061 Q HA -0.282 4.045 4.340 -0.022 0.000 0.211 3061 Q C 1.073 177.058 176.000 -0.025 0.000 0.993 3061 Q CA 2.809 58.601 55.803 -0.018 0.000 0.883 3061 Q CB -0.373 28.180 28.738 -0.309 0.000 0.916 3061 Q HN 0.911 nan 8.270 nan 0.000 0.418 3062 D N 0.016 120.407 120.400 -0.015 0.000 2.078 3062 D HA -0.168 4.459 4.640 -0.022 0.000 0.193 3062 D C 1.798 178.122 176.300 0.039 0.000 0.990 3062 D CA 1.854 55.855 54.000 0.002 0.000 0.827 3062 D CB -0.177 40.621 40.800 -0.003 0.000 0.975 3062 D HN 0.295 nan 8.370 nan 0.000 0.451 3063 I N 1.086 121.683 120.570 0.044 0.000 2.145 3063 I HA -0.389 3.768 4.170 -0.022 0.000 0.244 3063 I C 2.429 178.590 176.117 0.074 0.000 1.075 3063 I CA 1.460 62.794 61.300 0.057 0.000 1.332 3063 I CB -0.516 37.514 38.000 0.051 0.000 1.033 3063 I HN 0.125 nan 8.210 nan 0.000 0.410 3064 Q N 1.017 120.860 119.800 0.072 0.000 2.014 3064 Q HA -0.259 4.067 4.340 -0.022 0.000 0.207 3064 Q C 2.496 178.554 176.000 0.096 0.000 0.993 3064 Q CA 1.883 57.735 55.803 0.082 0.000 0.850 3064 Q CB -0.654 28.132 28.738 0.080 0.000 0.916 3064 Q HN 0.593 nan 8.270 nan 0.000 0.417 3065 A N 1.572 124.435 122.820 0.071 0.000 1.903 3065 A HA -0.251 4.055 4.320 -0.022 0.000 0.219 3065 A C 2.139 179.860 177.584 0.229 0.000 1.191 3065 A CA 1.805 53.895 52.037 0.088 0.000 0.638 3065 A CB -0.975 18.071 19.000 0.078 0.000 0.823 3065 A HN 0.374 nan 8.150 nan 0.000 0.451 3066 L N -0.025 121.324 121.223 0.210 0.000 1.941 3066 L HA -0.258 4.069 4.340 -0.022 0.000 0.224 3066 L C 2.417 179.418 176.870 0.219 0.000 1.081 3066 L CA 2.955 57.934 54.840 0.231 0.000 0.784 3066 L CB -1.125 41.011 42.059 0.128 0.000 0.894 3066 L HN 0.572 nan 8.230 nan 0.000 0.436 3067 R N -1.386 119.204 120.500 0.150 0.000 2.261 3067 R HA -0.353 3.973 4.340 -0.022 0.000 0.252 3067 R C 2.337 178.729 176.300 0.154 0.000 1.116 3067 R CA 2.798 58.974 56.100 0.127 0.000 0.942 3067 R CB -1.165 29.203 30.300 0.114 0.000 0.932 3067 R HN 0.499 nan 8.270 nan 0.000 0.441 3068 F N 0.641 120.600 119.950 0.014 0.000 2.015 3068 F HA -0.331 4.182 4.527 -0.023 0.000 0.297 3068 F C 2.301 178.091 175.800 -0.017 0.000 1.141 3068 F CA 2.610 60.597 58.000 -0.022 0.000 1.192 3068 F CB -0.672 38.155 39.000 -0.288 0.000 0.957 3068 F HN 0.274 nan 8.300 nan 0.000 0.491 3069 H N -0.900 118.426 119.070 0.427 0.000 2.321 3069 H HA -0.231 4.311 4.556 -0.022 0.000 0.295 3069 H C 2.259 177.638 175.328 0.085 0.000 1.102 3069 H CA 2.126 58.332 56.048 0.262 0.000 1.266 3069 H CB -0.391 29.493 29.762 0.204 0.000 1.363 3069 H HN 0.147 nan 8.280 nan 0.000 0.492 3070 R N 0.539 121.142 120.500 0.173 0.000 2.200 3070 R HA -0.078 4.249 4.340 -0.022 0.000 0.234 3070 R C 1.713 178.005 176.300 -0.013 0.000 1.127 3070 R CA 1.317 57.461 56.100 0.073 0.000 0.989 3070 R CB -0.024 30.314 30.300 0.064 0.000 0.869 3070 R HN 0.476 nan 8.270 nan 0.000 0.459 3071 N N -0.777 117.879 118.700 -0.074 0.000 2.278 3071 N HA -0.086 4.641 4.740 -0.022 0.000 0.181 3071 N C 1.570 176.884 175.510 -0.328 0.000 1.023 3071 N CA 0.685 53.605 53.050 -0.217 0.000 0.862 3071 N CB 0.037 38.364 38.487 -0.267 0.000 1.003 3071 N HN 0.102 nan 8.380 nan 0.000 0.431 3072 L N 2.416 123.436 121.223 -0.339 0.000 2.131 3072 L HA -0.140 4.187 4.340 -0.022 0.000 0.210 3072 L C 2.244 179.051 176.870 -0.105 0.000 1.092 3072 L CA 1.504 56.183 54.840 -0.270 0.000 0.759 3072 L CB -0.189 41.744 42.059 -0.209 0.000 0.903 3072 L HN 0.009 nan 8.230 nan 0.000 0.435 3073 K N 0.220 120.593 120.400 -0.045 0.000 1.987 3073 K HA -0.189 4.117 4.320 -0.022 0.000 0.216 3073 K C 0.776 177.348 176.600 -0.046 0.000 1.051 3073 K CA 1.583 57.867 56.287 -0.006 0.000 0.942 3073 K CB -0.143 32.366 32.500 0.014 0.000 0.722 3073 K HN 0.289 nan 8.250 nan 0.000 0.444 3077 S N 4.078 119.770 115.700 -0.012 0.000 2.574 3077 S HA 0.008 4.465 4.470 -0.022 0.000 0.302 3077 S C -1.517 173.092 174.600 0.014 0.000 1.270 3077 S CA 0.151 58.349 58.200 -0.004 0.000 1.040 3077 S CB 0.306 63.501 63.200 -0.008 0.000 0.767 3077 S HN 0.455 nan 8.310 nan 0.000 0.494 3078 P HA 0.102 nan 4.420 nan 0.000 0.239 3078 P C 1.238 178.577 177.300 0.065 0.000 1.188 3078 P CA 0.198 63.322 63.100 0.041 0.000 0.794 3078 P CB 0.011 31.721 31.700 0.017 0.000 0.937 3079 L N -0.415 120.826 121.223 0.029 0.000 2.558 3079 L HA 0.193 4.520 4.340 -0.022 0.000 0.225 3079 L C 2.147 179.098 176.870 0.135 0.000 1.128 3079 L CA 0.998 55.854 54.840 0.027 0.000 0.868 3079 L CB -0.479 41.542 42.059 -0.062 0.000 1.006 3079 L HN -0.180 nan 8.230 nan 0.000 0.454 3080 E N -0.618 119.641 120.200 0.099 0.000 2.102 3080 E HA -0.109 4.227 4.350 -0.022 0.000 0.190 3080 E C 1.589 178.273 176.600 0.139 0.000 0.971 3080 E CA 0.295 56.747 56.400 0.087 0.000 0.821 3080 E CB 0.231 29.943 29.700 0.021 0.000 0.777 3080 E HN 0.420 nan 8.360 nan 0.000 0.460 3081 K N 0.123 120.612 120.400 0.148 0.000 2.148 3081 K HA -0.175 4.132 4.320 -0.022 0.000 0.204 3081 K C 2.085 178.850 176.600 0.276 0.000 1.050 3081 K CA 0.962 57.372 56.287 0.205 0.000 0.942 3081 K CB -0.382 32.221 32.500 0.172 0.000 0.724 3081 K HN 0.277 nan 8.250 nan 0.000 0.446 3082 Y N 2.097 122.463 120.300 0.110 0.000 2.109 3082 Y HA -0.180 4.357 4.550 -0.021 0.000 0.285 3082 Y C 2.105 178.059 175.900 0.090 0.000 1.131 3082 Y CA 1.251 59.408 58.100 0.097 0.000 1.121 3082 Y CB -0.353 38.142 38.460 0.059 0.000 0.987 3082 Y HN -0.160 nan 8.280 nan 0.000 0.495 3083 I N -0.454 120.245 120.570 0.215 0.000 2.069 3083 I HA -0.394 3.762 4.170 -0.022 0.000 0.237 3083 I C 2.316 178.447 176.117 0.023 0.000 1.053 3083 I CA 2.080 63.398 61.300 0.029 0.000 1.311 3083 I CB -0.935 37.125 38.000 0.101 0.000 1.030 3083 I HN 0.336 nan 8.210 nan 0.000 0.398 3084 Y N 1.424 121.710 120.300 -0.023 0.000 2.133 3084 Y HA -0.258 4.279 4.550 -0.022 0.000 0.279 3084 Y C 1.390 177.335 175.900 0.075 0.000 1.209 3084 Y CA 0.918 59.006 58.100 -0.020 0.000 1.152 3084 Y CB -0.450 37.961 38.460 -0.083 0.000 0.961 3084 Y HN 0.123 nan 8.280 nan 0.000 0.512 3088 I N 1.851 122.366 120.570 -0.092 0.000 3.684 3088 I HA 0.121 4.277 4.170 -0.022 0.000 0.304 3088 I C 2.164 178.223 176.117 -0.095 0.000 1.278 3088 I CA 0.659 61.931 61.300 -0.047 0.000 1.272 3088 I CB -0.178 37.813 38.000 -0.014 0.000 1.029 3088 I HN 0.302 nan 8.210 nan 0.000 0.458 3089 Q N 1.177 120.789 119.800 -0.314 0.000 2.123 3089 Q HA -0.095 4.231 4.340 -0.022 0.000 0.196 3089 Q C 0.829 176.550 176.000 -0.466 0.000 0.958 3089 Q CA 0.933 56.226 55.803 -0.849 0.000 0.841 3089 Q CB 0.457 28.462 28.738 -1.220 0.000 0.915 3089 Q HN 0.349 nan 8.270 nan 0.000 0.455 3090 E N 0.169 120.188 120.200 -0.303 0.000 2.368 3090 E HA 0.082 4.419 4.350 -0.022 0.000 0.188 3090 E C 0.740 177.263 176.600 -0.129 0.000 1.061 3090 E CA 0.029 56.308 56.400 -0.202 0.000 0.933 3090 E CB 0.541 30.132 29.700 -0.183 0.000 1.091 3090 E HN 0.247 nan 8.360 nan 0.000 0.458 3091 R N -0.030 120.400 120.500 -0.116 0.000 2.493 3091 R HA 0.128 4.454 4.340 -0.022 0.000 0.177 3091 R C 0.178 176.462 176.300 -0.027 0.000 0.861 3091 R CA 0.136 56.203 56.100 -0.055 0.000 1.083 3091 R CB 0.549 30.827 30.300 -0.037 0.000 1.328 3091 R HN -0.087 nan 8.270 nan 0.000 0.615 3092 N N 1.403 120.093 118.700 -0.018 0.000 2.725 3092 N HA 0.023 4.749 4.740 -0.022 0.000 0.248 3092 N C -0.041 175.523 175.510 0.089 0.000 1.402 3092 N CA 0.044 53.117 53.050 0.038 0.000 0.766 3092 N CB 0.982 39.507 38.487 0.063 0.000 1.223 3092 N HN 0.137 nan 8.380 nan 0.000 0.515 3093 E N 0.895 121.134 120.200 0.066 0.000 2.200 3093 E HA -0.341 3.996 4.350 -0.022 0.000 0.211 3093 E C 0.821 177.652 176.600 0.385 0.000 1.048 3093 E CA 1.646 58.130 56.400 0.140 0.000 0.851 3093 E CB 0.389 30.183 29.700 0.157 0.000 0.747 3093 E HN 0.289 nan 8.360 nan 0.000 0.462 3094 K N 0.208 120.828 120.400 0.366 0.000 1.984 3094 K HA -0.132 4.175 4.320 -0.022 0.000 0.209 3094 K C 1.964 178.672 176.600 0.181 0.000 1.046 3094 K CA 1.015 57.510 56.287 0.346 0.000 0.934 3094 K CB -0.757 31.981 32.500 0.396 0.000 0.717 3094 K HN 0.091 nan 8.250 nan 0.000 0.438 3095 L N 0.470 121.777 121.223 0.140 0.000 1.941 3095 L HA -0.178 4.148 4.340 -0.022 0.000 0.224 3095 L C 1.885 178.758 176.870 0.005 0.000 1.081 3095 L CA 1.981 56.827 54.840 0.011 0.000 0.784 3095 L CB -1.221 40.867 42.059 0.048 0.000 0.894 3095 L HN 0.338 nan 8.230 nan 0.000 0.436 3096 F N -0.215 119.645 119.950 -0.150 0.000 2.240 3096 F HA -0.480 4.035 4.527 -0.020 0.000 0.288 3096 F C 2.332 178.004 175.800 -0.215 0.000 1.153 3096 F CA 2.681 60.518 58.000 -0.272 0.000 1.327 3096 F CB -1.336 37.453 39.000 -0.353 0.000 0.898 3096 F HN 0.283 nan 8.300 nan 0.000 0.540 3097 Y N -0.183 120.186 120.300 0.116 0.000 2.384 3097 Y HA -0.290 4.246 4.550 -0.024 0.000 0.289 3097 Y C 2.608 178.453 175.900 -0.092 0.000 1.152 3097 Y CA 1.319 59.436 58.100 0.028 0.000 1.258 3097 Y CB -0.455 38.307 38.460 0.503 0.000 0.979 3097 Y HN 0.267 nan 8.280 nan 0.000 0.549 3098 R N 0.633 121.137 120.500 0.007 0.000 2.057 3098 R HA -0.132 4.195 4.340 -0.022 0.000 0.229 3098 R C 1.881 178.095 176.300 -0.143 0.000 1.136 3098 R CA 1.730 57.770 56.100 -0.099 0.000 0.952 3098 R CB -0.861 29.337 30.300 -0.169 0.000 0.848 3098 R HN 0.239 nan 8.270 nan 0.000 0.430 3099 I N 0.667 121.094 120.570 -0.238 0.000 2.423 3099 I HA -0.220 3.937 4.170 -0.022 0.000 0.254 3099 I C 1.810 177.742 176.117 -0.309 0.000 1.151 3099 I CA 0.772 61.879 61.300 -0.322 0.000 1.421 3099 I CB -0.156 37.441 38.000 -0.672 0.000 1.079 3099 I HN 0.283 nan 8.210 nan 0.000 0.431 3100 L N 0.123 121.135 121.223 -0.352 0.000 1.993 3100 L HA -0.145 4.181 4.340 -0.022 0.000 0.206 3100 L C 1.807 178.606 176.870 -0.118 0.000 1.074 3100 L CA 1.669 56.341 54.840 -0.280 0.000 0.746 3100 L CB -0.875 40.993 42.059 -0.318 0.000 0.896 3100 L HN 0.345 nan 8.230 nan 0.000 0.435 3101 Q N -1.081 118.679 119.800 -0.066 0.000 2.292 3101 Q HA -0.021 4.306 4.340 -0.022 0.000 0.235 3101 Q C 0.171 176.138 176.000 -0.055 0.000 0.910 3101 Q CA 0.401 56.179 55.803 -0.041 0.000 0.952 3101 Q CB -0.148 28.578 28.738 -0.021 0.000 1.089 3101 Q HN 0.339 nan 8.270 nan 0.000 0.431 3102 D N 0.089 120.453 120.400 -0.060 0.000 2.469 3102 D HA -0.014 4.613 4.640 -0.022 0.000 0.240 3102 D C -0.292 175.980 176.300 -0.046 0.000 1.087 3102 D CA 0.401 54.372 54.000 -0.048 0.000 0.876 3102 D CB 0.725 41.521 40.800 -0.007 0.000 1.160 3102 D HN 0.173 nan 8.370 nan 0.000 0.497 3103 D N -0.071 120.313 120.400 -0.027 0.000 3.602 3103 D HA 0.016 4.642 4.640 -0.022 0.000 0.275 3103 D C 0.813 177.107 176.300 -0.010 0.000 1.348 3103 D CA -0.178 53.814 54.000 -0.013 0.000 0.768 3103 D CB -0.530 40.283 40.800 0.021 0.000 1.373 3103 D HN 0.147 nan 8.370 nan 0.000 0.683 3104 I N 0.525 121.080 120.570 -0.025 0.000 2.163 3104 I HA -0.179 3.978 4.170 -0.022 0.000 0.243 3104 I C 2.055 178.164 176.117 -0.014 0.000 1.085 3104 I CA 1.579 62.864 61.300 -0.025 0.000 1.347 3104 I CB 0.196 38.178 38.000 -0.030 0.000 1.044 3104 I HN 0.274 nan 8.210 nan 0.000 0.408 3105 E N 0.239 120.430 120.200 -0.014 0.000 2.049 3105 E HA -0.267 4.070 4.350 -0.022 0.000 0.198 3105 E C 2.069 178.672 176.600 0.004 0.000 1.007 3105 E CA 2.251 58.645 56.400 -0.010 0.000 0.809 3105 E CB -0.087 29.610 29.700 -0.004 0.000 0.749 3105 E HN 0.631 nan 8.360 nan 0.000 0.450 3106 S N 0.190 115.898 115.700 0.014 0.000 2.414 3106 S HA -0.008 4.448 4.470 -0.022 0.000 0.227 3106 S C 0.877 175.503 174.600 0.043 0.000 1.022 3106 S CA -0.073 58.145 58.200 0.030 0.000 0.958 3106 S CB 0.075 63.299 63.200 0.039 0.000 0.797 3106 S HN 0.088 nan 8.310 nan 0.000 0.493 3110 I N 0.008 120.649 120.570 0.119 0.000 2.429 3110 I HA -0.063 4.094 4.170 -0.022 0.000 0.247 3110 I C 1.925 178.231 176.117 0.314 0.000 1.099 3110 I CA 0.804 62.215 61.300 0.185 0.000 1.422 3110 I CB -0.149 37.970 38.000 0.197 0.000 1.112 3110 I HN -0.253 nan 8.210 nan 0.000 0.430 3111 V N -0.288 119.785 119.914 0.266 0.000 2.759 3111 V HA -0.192 3.915 4.120 -0.022 0.000 0.256 3111 V C 1.012 177.358 176.094 0.421 0.000 1.080 3111 V CA 1.474 63.961 62.300 0.312 0.000 1.101 3111 V CB -0.959 30.971 31.823 0.178 0.000 0.698 3111 V HN 0.386 nan 8.190 nan 0.000 0.477 3112 Y N 0.270 120.662 120.300 0.154 0.000 3.217 3112 Y HA 0.395 4.932 4.550 -0.022 0.000 0.253 3112 Y C 0.810 176.740 175.900 0.051 0.000 2.287 3112 Y CA -0.819 57.347 58.100 0.109 0.000 0.933 3112 Y CB 0.533 39.049 38.460 0.094 0.000 1.794 3112 Y HN 0.039 nan 8.280 nan 0.000 0.475 3113 T N 2.102 116.313 114.554 -0.572 0.000 2.934 3113 T HA 0.177 4.513 4.350 -0.022 0.000 0.306 3113 T C -2.192 172.413 174.700 -0.159 0.000 1.042 3113 T CA -0.659 61.174 62.100 -0.445 0.000 1.145 3113 T CB 1.010 69.587 68.868 -0.484 0.000 0.982 3113 T HN 0.421 nan 8.240 nan 0.000 0.544 3114 P HA 0.160 nan 4.420 nan 0.000 0.252 3114 P C 1.237 178.451 177.300 -0.144 0.000 1.211 3114 P CA 0.081 63.086 63.100 -0.158 0.000 0.824 3114 P CB 0.097 31.724 31.700 -0.121 0.000 1.077 3115 T N -0.035 114.452 114.554 -0.113 0.000 3.007 3115 T HA -0.093 4.243 4.350 -0.022 0.000 0.270 3115 T C 1.747 176.297 174.700 -0.250 0.000 1.107 3115 T CA 0.828 62.834 62.100 -0.156 0.000 1.118 3115 T CB -0.967 67.832 68.868 -0.115 0.000 0.889 3115 T HN -0.076 nan 8.240 nan 0.000 0.506 3116 V N 2.033 121.848 119.914 -0.164 0.000 2.282 3116 V HA -0.162 3.944 4.120 -0.022 0.000 0.249 3116 V C 2.493 178.522 176.094 -0.108 0.000 1.057 3116 V CA 2.558 64.803 62.300 -0.091 0.000 1.032 3116 V CB -1.133 30.694 31.823 0.007 0.000 0.645 3116 V HN 0.535 nan 8.190 nan 0.000 0.447 3117 G N -0.877 107.848 108.800 -0.124 0.000 2.402 3117 G HA2 -0.210 3.736 3.960 -0.022 0.000 0.216 3117 G HA3 -0.210 3.736 3.960 -0.022 0.000 0.216 3117 G C 1.635 176.482 174.900 -0.089 0.000 1.162 3117 G CA 0.952 46.002 45.100 -0.083 0.000 0.777 3117 G HN 0.516 nan 8.290 nan 0.000 0.539 3118 L N 0.473 121.617 121.223 -0.133 0.000 2.081 3118 L HA -0.173 4.154 4.340 -0.022 0.000 0.212 3118 L C 3.260 180.036 176.870 -0.155 0.000 1.080 3118 L CA 1.465 56.225 54.840 -0.134 0.000 0.754 3118 L CB -0.204 41.764 42.059 -0.151 0.000 0.893 3118 L HN 0.344 nan 8.230 nan 0.000 0.433 3119 A N -1.374 121.292 122.820 -0.255 0.000 1.840 3119 A HA -0.219 4.088 4.320 -0.022 0.000 0.214 3119 A C 2.356 179.959 177.584 0.031 0.000 1.198 3119 A CA 1.372 53.263 52.037 -0.245 0.000 0.608 3119 A CB -1.290 17.334 19.000 -0.627 0.000 0.839 3119 A HN 0.552 nan 8.150 nan 0.000 0.443 3120 C N -0.837 118.534 119.300 0.117 0.000 2.353 3120 C HA -0.182 4.265 4.460 -0.022 0.000 0.272 3120 C C 3.285 178.360 174.990 0.142 0.000 1.165 3120 C CA 1.766 60.904 59.018 0.201 0.000 1.786 3120 C CB -1.358 26.431 27.740 0.082 0.000 2.071 3120 C HN 0.637 nan 8.230 nan 0.000 0.451 3121 S N -1.048 114.708 115.700 0.094 0.000 2.356 3121 S HA -0.178 4.278 4.470 -0.022 0.000 0.223 3121 S C 1.953 176.619 174.600 0.109 0.000 1.032 3121 S CA 1.255 59.539 58.200 0.140 0.000 1.005 3121 S CB -0.312 62.919 63.200 0.052 0.000 0.867 3121 S HN 0.596 nan 8.310 nan 0.000 0.449 3122 Q N -0.419 119.379 119.800 -0.004 0.000 2.436 3122 Q HA 0.093 4.419 4.340 -0.022 0.000 0.209 3122 Q C -0.072 175.872 176.000 -0.092 0.000 0.965 3122 Q CA 0.127 55.893 55.803 -0.062 0.000 0.910 3122 Q CB -0.229 28.456 28.738 -0.089 0.000 0.980 3122 Q HN 0.570 nan 8.270 nan 0.000 0.491 3123 Y N 0.131 120.177 120.300 -0.423 0.000 2.850 3123 Y HA -0.154 4.382 4.550 -0.023 0.000 0.352 3123 Y C 1.865 177.435 175.900 -0.549 0.000 1.275 3123 Y CA 2.204 59.963 58.100 -0.568 0.000 1.463 3123 Y CB 0.190 38.083 38.460 -0.944 0.000 1.337 3123 Y HN 0.428 nan 8.280 nan 0.000 0.671 3124 G N 0.130 108.934 108.800 0.008 0.000 2.353 3124 G HA2 -0.422 3.525 3.960 -0.022 0.000 0.258 3124 G HA3 -0.422 3.525 3.960 -0.022 0.000 0.258 3124 G C 0.952 175.877 174.900 0.041 0.000 1.013 3124 G CA 1.283 46.510 45.100 0.212 0.000 0.622 3124 G HN 0.788 nan 8.290 nan 0.000 0.535 3125 H N 0.120 119.121 119.070 -0.115 0.000 2.388 3125 H HA 0.380 4.923 4.556 -0.022 0.000 0.304 3125 H C 2.556 177.791 175.328 -0.156 0.000 1.049 3125 H CA 1.359 57.239 56.048 -0.280 0.000 1.371 3125 H CB -0.037 29.583 29.762 -0.237 0.000 1.436 3125 H HN 0.608 nan 8.280 nan 0.000 0.544 3126 I N -1.751 118.826 120.570 0.013 0.000 3.861 3126 I HA 0.158 4.315 4.170 -0.022 0.000 0.329 3126 I C 0.071 176.144 176.117 -0.073 0.000 1.321 3126 I CA -0.315 60.966 61.300 -0.032 0.000 1.126 3126 I CB -0.466 37.511 38.000 -0.039 0.000 1.018 3126 I HN -0.076 nan 8.210 nan 0.000 0.407 3127 F N 2.417 122.271 119.950 -0.160 0.000 2.595 3127 F HA 0.213 4.725 4.527 -0.024 0.000 0.359 3127 F C 1.084 176.832 175.800 -0.086 0.000 1.147 3127 F CA 0.427 58.339 58.000 -0.148 0.000 1.341 3127 F CB 0.462 39.435 39.000 -0.045 0.000 1.104 3127 F HN -0.000 nan 8.300 nan 0.000 0.603 3128 R N 2.940 122.743 120.500 -1.160 0.000 3.059 3128 R HA 0.319 4.645 4.340 -0.022 0.000 0.161 3128 R C -0.518 175.269 176.300 -0.856 0.000 0.758 3128 R CA 0.073 55.773 56.100 -0.667 0.000 1.064 3128 R CB 0.193 30.264 30.300 -0.382 0.000 1.538 3128 R HN 0.633 nan 8.270 nan 0.000 0.574 3129 R N 0.729 120.579 120.500 -1.084 0.000 2.604 3129 R HA 0.434 4.761 4.340 -0.022 0.000 0.270 3129 R C -2.658 173.383 176.300 -0.431 0.000 1.052 3129 R CA -1.733 54.044 56.100 -0.538 0.000 0.902 3129 R CB 2.309 32.464 30.300 -0.241 0.000 1.233 3129 R HN -0.067 nan 8.270 nan 0.000 0.455 3130 P HA 0.114 nan 4.420 nan 0.000 0.272 3130 P C -0.161 177.264 177.300 0.209 0.000 1.248 3130 P CA -0.158 63.163 63.100 0.368 0.000 0.799 3130 P CB 0.765 32.752 31.700 0.477 0.000 0.997 3131 K N -1.329 119.235 120.400 0.273 0.000 2.574 3131 K HA 0.325 4.632 4.320 -0.022 0.000 0.215 3131 K C 0.555 177.214 176.600 0.098 0.000 1.485 3131 K CA 0.151 56.514 56.287 0.126 0.000 1.006 3131 K CB 0.929 33.462 32.500 0.054 0.000 1.254 3131 K HN 0.618 nan 8.250 nan 0.000 0.580 3132 G N 0.044 108.839 108.800 -0.008 0.000 2.870 3132 G HA2 0.364 4.311 3.960 -0.022 0.000 0.299 3132 G HA3 0.364 4.311 3.960 -0.022 0.000 0.299 3132 G C -1.745 172.914 174.900 -0.401 0.000 1.324 3132 G CA -0.660 44.311 45.100 -0.216 0.000 0.808 3132 G HN -0.104 nan 8.290 nan 0.000 0.535 3133 L N -0.524 120.366 121.223 -0.555 0.000 2.473 3133 L HA 0.498 4.824 4.340 -0.022 0.000 0.268 3133 L C -0.538 175.940 176.870 -0.654 0.000 1.215 3133 L CA 0.189 54.783 54.840 -0.411 0.000 0.823 3133 L CB 0.293 42.105 42.059 -0.411 0.000 1.099 3133 L HN 0.464 nan 8.230 nan 0.000 0.483 3134 F N 2.998 122.922 119.950 -0.044 0.000 2.646 3134 F HA 0.351 4.863 4.527 -0.025 0.000 0.336 3134 F C 0.336 176.102 175.800 -0.057 0.000 1.437 3134 F CA -0.369 57.600 58.000 -0.052 0.000 1.142 3134 F CB 0.333 39.325 39.000 -0.013 0.000 1.530 3134 F HN 0.175 nan 8.300 nan 0.000 0.591 3135 I N 1.685 122.260 120.570 0.008 0.000 2.494 3135 I HA 0.056 4.212 4.170 -0.022 0.000 0.289 3135 I C 0.705 176.819 176.117 -0.006 0.000 1.106 3135 I CA 0.338 61.640 61.300 0.003 0.000 1.369 3135 I CB 0.523 38.490 38.000 -0.054 0.000 1.410 3135 I HN 0.371 nan 8.210 nan 0.000 0.523 3136 S N 5.791 121.512 115.700 0.034 0.000 2.608 3136 S HA 0.318 4.775 4.470 -0.022 0.000 0.291 3136 S C 0.957 175.574 174.600 0.028 0.000 1.146 3136 S CA -0.739 57.477 58.200 0.027 0.000 1.043 3136 S CB 1.348 64.568 63.200 0.033 0.000 1.037 3136 S HN 0.591 nan 8.310 nan 0.000 0.520 3137 I N 3.531 124.119 120.570 0.031 0.000 2.226 3137 I HA -0.057 4.100 4.170 -0.022 0.000 0.245 3137 I C 1.896 178.048 176.117 0.058 0.000 1.100 3137 I CA 1.568 62.894 61.300 0.044 0.000 1.374 3137 I CB -0.326 37.712 38.000 0.063 0.000 1.057 3137 I HN 0.702 nan 8.210 nan 0.000 0.413 3138 S N 0.616 116.349 115.700 0.054 0.000 2.711 3138 S HA -0.083 4.374 4.470 -0.022 0.000 0.237 3138 S C 0.471 175.113 174.600 0.069 0.000 0.971 3138 S CA 0.757 58.990 58.200 0.055 0.000 0.964 3138 S CB -0.598 62.624 63.200 0.038 0.000 0.775 3138 S HN 0.509 nan 8.310 nan 0.000 0.540 3139 D N 0.671 121.123 120.400 0.085 0.000 2.571 3139 D HA 0.127 4.754 4.640 -0.022 0.000 0.239 3139 D C 0.232 176.634 176.300 0.171 0.000 1.267 3139 D CA -0.194 53.881 54.000 0.124 0.000 0.823 3139 D CB 0.220 41.075 40.800 0.092 0.000 1.056 3139 D HN 0.136 nan 8.370 nan 0.000 0.494 3140 R N 0.244 120.826 120.500 0.137 0.000 2.480 3140 R HA 0.244 4.570 4.340 -0.022 0.000 0.303 3140 R C 1.127 177.444 176.300 0.027 0.000 0.985 3140 R CA 1.145 57.295 56.100 0.085 0.000 1.051 3140 R CB 0.152 30.494 30.300 0.069 0.000 0.935 3140 R HN 0.308 nan 8.270 nan 0.000 0.410 3141 G N 2.935 111.699 108.800 -0.060 0.000 2.143 3141 G HA2 -0.261 3.686 3.960 -0.022 0.000 0.249 3141 G HA3 -0.261 3.686 3.960 -0.022 0.000 0.249 3141 G C 0.376 175.005 174.900 -0.452 0.000 0.981 3141 G CA 0.299 45.252 45.100 -0.243 0.000 0.665 3141 G HN 0.825 nan 8.290 nan 0.000 0.528 3142 H N -1.684 117.403 119.070 0.028 0.000 3.535 3142 H HA 0.222 4.764 4.556 -0.022 0.000 0.260 3142 H C 2.376 177.722 175.328 0.031 0.000 1.173 3142 H CA 0.408 56.472 56.048 0.027 0.000 1.168 3142 H CB 0.152 29.930 29.762 0.026 0.000 1.568 3142 H HN 0.198 nan 8.280 nan 0.000 0.602 3143 V N 2.115 122.105 119.914 0.126 0.000 2.251 3143 V HA -0.440 3.667 4.120 -0.022 0.000 0.259 3143 V C 2.850 178.994 176.094 0.083 0.000 1.078 3143 V CA 2.798 65.156 62.300 0.098 0.000 1.072 3143 V CB -0.551 31.320 31.823 0.080 0.000 0.681 3143 V HN 0.301 nan 8.190 nan 0.000 0.454 3144 R N 1.089 121.619 120.500 0.052 0.000 2.196 3144 R HA -0.299 4.027 4.340 -0.022 0.000 0.244 3144 R C 2.551 178.886 176.300 0.059 0.000 1.121 3144 R CA 2.928 59.049 56.100 0.034 0.000 0.930 3144 R CB -1.422 28.889 30.300 0.019 0.000 0.890 3144 R HN 0.689 nan 8.270 nan 0.000 0.435 3145 S N -0.201 115.546 115.700 0.078 0.000 2.374 3145 S HA -0.156 4.300 4.470 -0.022 0.000 0.227 3145 S C 2.059 176.713 174.600 0.090 0.000 1.037 3145 S CA 1.591 59.839 58.200 0.080 0.000 1.024 3145 S CB -0.476 62.780 63.200 0.094 0.000 0.861 3145 S HN 0.389 nan 8.310 nan 0.000 0.456 3146 I N 1.631 122.263 120.570 0.104 0.000 2.113 3146 I HA -0.104 4.053 4.170 -0.022 0.000 0.238 3146 I C 2.614 178.818 176.117 0.146 0.000 1.070 3146 I CA 1.049 62.420 61.300 0.119 0.000 1.332 3146 I CB -1.942 36.128 38.000 0.116 0.000 1.044 3146 I HN 0.238 nan 8.210 nan 0.000 0.402 3147 V N 1.809 121.800 119.914 0.127 0.000 2.250 3147 V HA -0.340 3.767 4.120 -0.022 0.000 0.253 3147 V C 2.242 178.470 176.094 0.223 0.000 1.065 3147 V CA 2.408 64.805 62.300 0.161 0.000 1.039 3147 V CB -0.918 30.968 31.823 0.106 0.000 0.647 3147 V HN 0.356 nan 8.190 nan 0.000 0.446 3148 D N -0.018 120.460 120.400 0.131 0.000 2.271 3148 D HA -0.155 4.472 4.640 -0.022 0.000 0.207 3148 D C 1.808 178.180 176.300 0.120 0.000 0.983 3148 D CA 1.042 55.097 54.000 0.092 0.000 0.878 3148 D CB -0.505 40.321 40.800 0.042 0.000 0.920 3148 D HN 0.409 nan 8.370 nan 0.000 0.479 3149 N N -0.399 118.394 118.700 0.155 0.000 2.515 3149 N HA -0.072 4.655 4.740 -0.022 0.000 0.185 3149 N C -0.113 175.511 175.510 0.190 0.000 1.109 3149 N CA -0.034 53.098 53.050 0.138 0.000 0.903 3149 N CB -0.076 38.493 38.487 0.135 0.000 0.969 3149 N HN 0.363 nan 8.380 nan 0.000 0.450 3150 W N 3.430 124.778 121.300 0.079 0.000 2.469 3150 W HA 0.067 4.723 4.660 -0.006 0.000 0.321 3150 W C -1.406 175.170 176.519 0.094 0.000 1.415 3150 W CA -1.510 55.892 57.345 0.096 0.000 1.308 3150 W CB 0.878 30.434 29.460 0.160 0.000 1.368 3150 W HN 0.105 nan 8.180 nan 0.000 0.546 3151 P HA -0.198 nan 4.420 nan 0.000 0.218 3151 P C 0.064 177.139 177.300 -0.374 0.000 1.146 3151 P CA 1.534 64.327 63.100 -0.512 0.000 0.813 3151 P CB 0.286 31.630 31.700 -0.594 0.000 0.778 3152 E N 0.099 120.003 120.200 -0.493 0.000 2.338 3152 E HA 0.098 4.435 4.350 -0.022 0.000 0.272 3152 E C 1.195 178.004 176.600 0.347 0.000 1.029 3152 E CA -0.206 56.228 56.400 0.057 0.000 0.872 3152 E CB 0.104 30.009 29.700 0.341 0.000 1.015 3152 E HN -0.022 nan 8.360 nan 0.000 0.417 3153 N N 1.129 119.977 118.700 0.246 0.000 2.124 3153 N HA -0.105 4.621 4.740 -0.022 0.000 0.189 3153 N C 0.035 175.786 175.510 0.402 0.000 1.050 3153 N CA 0.943 54.123 53.050 0.217 0.000 0.848 3153 N CB -0.393 38.158 38.487 0.108 0.000 1.027 3153 N HN 0.402 nan 8.380 nan 0.000 0.435 3154 H N 1.186 120.399 119.070 0.239 0.000 2.820 3154 H HA 0.416 4.958 4.556 -0.023 0.000 0.278 3154 H C -0.969 174.485 175.328 0.210 0.000 1.142 3154 H CA -0.446 55.740 56.048 0.231 0.000 1.346 3154 H CB -0.128 29.702 29.762 0.113 0.000 1.438 3154 H HN -0.242 nan 8.280 nan 0.000 0.473 3155 V N 6.329 126.378 119.914 0.226 0.000 2.483 3155 V HA 0.245 4.351 4.120 -0.022 0.000 0.295 3155 V C 0.627 176.553 176.094 -0.281 0.000 1.035 3155 V CA -0.479 61.673 62.300 -0.247 0.000 0.896 3155 V CB 1.826 33.104 31.823 -0.907 0.000 0.986 3155 V HN 0.770 nan 8.190 nan 0.000 0.447 3156 K N 2.745 122.966 120.400 -0.299 0.000 2.380 3156 K HA 0.409 4.716 4.320 -0.022 0.000 0.200 3156 K C 0.399 176.868 176.600 -0.219 0.000 1.201 3156 K CA 0.506 56.643 56.287 -0.250 0.000 0.916 3156 K CB 0.985 33.346 32.500 -0.232 0.000 1.187 3156 K HN 0.610 nan 8.250 nan 0.000 0.498 3157 A N 1.944 124.609 122.820 -0.259 0.000 2.304 3157 A HA 0.615 4.921 4.320 -0.022 0.000 0.323 3157 A C -0.713 176.631 177.584 -0.400 0.000 1.195 3157 A CA -0.434 51.425 52.037 -0.297 0.000 0.826 3157 A CB 1.243 20.049 19.000 -0.323 0.000 1.184 3157 A HN -0.048 nan 8.150 nan 0.000 0.496 3158 V N 3.166 122.844 119.914 -0.393 0.000 2.668 3158 V HA 0.427 4.533 4.120 -0.022 0.000 0.304 3158 V C -0.766 175.086 176.094 -0.404 0.000 1.071 3158 V CA -0.463 61.586 62.300 -0.419 0.000 0.894 3158 V CB 1.982 33.578 31.823 -0.379 0.000 1.008 3158 V HN 0.715 nan 8.190 nan 0.000 0.425 3159 V N 5.513 125.170 119.914 -0.427 0.000 2.448 3159 V HA 0.699 4.806 4.120 -0.022 0.000 0.295 3159 V C -0.237 175.636 176.094 -0.367 0.000 1.025 3159 V CA -0.549 61.525 62.300 -0.377 0.000 0.859 3159 V CB 1.883 33.486 31.823 -0.365 0.000 0.988 3159 V HN 0.667 nan 8.190 nan 0.000 0.431 3160 V N 2.228 121.919 119.914 -0.372 0.000 3.046 3160 V HA 0.972 5.078 4.120 -0.022 0.000 0.316 3160 V C -0.095 175.834 176.094 -0.274 0.000 1.104 3160 V CA -0.521 61.529 62.300 -0.417 0.000 1.006 3160 V CB 1.909 33.341 31.823 -0.652 0.000 1.058 3160 V HN 0.955 nan 8.190 nan 0.000 0.440 3161 T N -0.610 113.693 114.554 -0.418 0.000 2.718 3161 T HA 0.442 4.778 4.350 -0.022 0.000 0.306 3161 T C -1.594 172.695 174.700 -0.685 0.000 1.485 3161 T CA 0.193 61.945 62.100 -0.580 0.000 0.997 3161 T CB 2.135 70.794 68.868 -0.350 0.000 1.504 3161 T HN 0.919 nan 8.240 nan 0.000 0.497 3162 D N -0.406 119.568 120.400 -0.710 0.000 2.525 3162 D HA 0.271 4.898 4.640 -0.022 0.000 0.231 3162 D C 1.313 177.465 176.300 -0.248 0.000 1.216 3162 D CA 0.530 54.279 54.000 -0.419 0.000 0.813 3162 D CB -0.127 40.483 40.800 -0.317 0.000 1.108 3162 D HN 1.359 nan 8.370 nan 0.000 0.524 3163 G N 1.663 110.306 108.800 -0.262 0.000 2.221 3163 G HA2 -0.385 3.561 3.960 -0.022 0.000 0.265 3163 G HA3 -0.385 3.561 3.960 -0.022 0.000 0.265 3163 G C 0.628 175.460 174.900 -0.114 0.000 1.041 3163 G CA 0.810 45.820 45.100 -0.151 0.000 0.807 3163 G HN 0.449 nan 8.290 nan 0.000 0.502 3164 E N -0.731 119.391 120.200 -0.130 0.000 2.102 3164 E HA 0.132 4.468 4.350 -0.022 0.000 0.190 3164 E C 1.921 178.495 176.600 -0.044 0.000 0.971 3164 E CA 0.268 56.627 56.400 -0.069 0.000 0.821 3164 E CB 0.076 29.754 29.700 -0.036 0.000 0.777 3164 E HN 0.270 nan 8.360 nan 0.000 0.460 3165 R N 1.011 121.488 120.500 -0.039 0.000 2.903 3165 R HA 0.166 4.492 4.340 -0.022 0.000 0.363 3165 R C -0.785 175.500 176.300 -0.025 0.000 1.161 3165 R CA -0.503 55.587 56.100 -0.017 0.000 1.109 3165 R CB 0.405 30.716 30.300 0.018 0.000 1.399 3165 R HN 0.168 nan 8.270 nan 0.000 0.587 3166 I N 2.809 123.356 120.570 -0.039 0.000 2.849 3166 I HA -0.133 4.024 4.170 -0.022 0.000 0.288 3166 I C 1.398 177.498 176.117 -0.028 0.000 1.156 3166 I CA 0.634 61.915 61.300 -0.031 0.000 1.394 3166 I CB -1.498 36.486 38.000 -0.028 0.000 1.462 3166 I HN 0.384 nan 8.210 nan 0.000 0.587 3167 L N 4.380 125.588 121.223 -0.026 0.000 7.039 3167 L HA -0.300 4.026 4.340 -0.022 0.000 0.061 3167 L C 1.448 178.294 176.870 -0.040 0.000 1.415 3167 L CA 1.178 55.993 54.840 -0.041 0.000 1.678 3167 L CB -1.371 40.647 42.059 -0.069 0.000 2.698 3167 L HN 0.661 nan 8.230 nan 0.000 1.079 3168 G N -0.740 108.030 108.800 -0.049 0.000 3.375 3168 G HA2 0.370 4.317 3.960 -0.022 0.000 0.247 3168 G HA3 0.370 4.317 3.960 -0.022 0.000 0.247 3168 G C 0.600 175.476 174.900 -0.039 0.000 1.343 3168 G CA 0.152 45.225 45.100 -0.044 0.000 1.368 3168 G HN 0.272 nan 8.290 nan 0.000 0.549 3169 L N -0.870 120.332 121.223 -0.036 0.000 2.685 3169 L HA 0.428 4.754 4.340 -0.022 0.000 0.235 3169 L C 1.691 178.541 176.870 -0.033 0.000 1.070 3169 L CA 0.972 55.794 54.840 -0.031 0.000 0.888 3169 L CB -0.443 41.602 42.059 -0.023 0.000 1.203 3169 L HN 0.385 nan 8.230 nan 0.000 0.499 3170 G N -0.036 108.744 108.800 -0.033 0.000 2.645 3170 G HA2 -0.322 3.624 3.960 -0.022 0.000 0.246 3170 G HA3 -0.322 3.624 3.960 -0.022 0.000 0.246 3170 G C -0.255 174.617 174.900 -0.047 0.000 1.322 3170 G CA -0.130 44.949 45.100 -0.035 0.000 0.898 3170 G HN 0.189 nan 8.290 nan 0.000 0.573 3171 D N 0.421 120.789 120.400 -0.054 0.000 2.659 3171 D HA 0.103 4.729 4.640 -0.022 0.000 0.275 3171 D C 1.514 177.757 176.300 -0.096 0.000 1.407 3171 D CA 0.549 54.505 54.000 -0.074 0.000 1.033 3171 D CB -0.115 40.640 40.800 -0.076 0.000 1.139 3171 D HN 0.431 nan 8.370 nan 0.000 0.565 3172 L N 2.270 123.442 121.223 -0.085 0.000 2.609 3172 L HA 0.247 4.574 4.340 -0.022 0.000 0.230 3172 L C 1.551 178.337 176.870 -0.141 0.000 1.087 3172 L CA 0.477 55.265 54.840 -0.086 0.000 0.874 3172 L CB -0.096 41.969 42.059 0.010 0.000 1.114 3172 L HN 0.684 nan 8.230 nan 0.000 0.488 3173 G N 0.263 109.009 108.800 -0.090 0.000 2.527 3173 G HA2 -0.329 3.618 3.960 -0.022 0.000 0.227 3173 G HA3 -0.329 3.618 3.960 -0.022 0.000 0.227 3173 G C 0.607 175.557 174.900 0.084 0.000 1.291 3173 G CA 0.124 45.218 45.100 -0.010 0.000 0.904 3173 G HN 0.232 nan 8.290 nan 0.000 0.577 3174 V N -1.608 118.433 119.914 0.212 0.000 2.828 3174 V HA -0.122 3.984 4.120 -0.022 0.000 0.260 3174 V C 2.114 178.301 176.094 0.155 0.000 1.101 3174 V CA 2.718 65.109 62.300 0.151 0.000 1.123 3174 V CB -1.172 30.706 31.823 0.091 0.000 0.704 3174 V HN 0.748 nan 8.190 nan 0.000 0.493 3175 Y N 1.659 121.936 120.300 -0.040 0.000 2.483 3175 Y HA 0.119 4.655 4.550 -0.023 0.000 0.291 3175 Y C 2.128 177.760 175.900 -0.446 0.000 1.143 3175 Y CA -0.173 57.761 58.100 -0.277 0.000 1.289 3175 Y CB -0.243 38.203 38.460 -0.022 0.000 0.983 3175 Y HN 0.519 nan 8.280 nan 0.000 0.556 3179 I N 1.971 122.596 120.570 0.093 0.000 2.162 3179 I HA 0.002 4.159 4.170 -0.022 0.000 0.238 3179 I C -0.316 175.811 176.117 0.018 0.000 1.076 3179 I CA 1.318 62.697 61.300 0.131 0.000 1.353 3179 I CB -1.523 36.530 38.000 0.089 0.000 1.063 3179 I HN -0.003 nan 8.210 nan 0.000 0.408 3180 P HA -0.111 nan 4.420 nan 0.000 0.218 3180 P C 1.995 179.215 177.300 -0.134 0.000 1.146 3180 P CA 1.144 64.154 63.100 -0.149 0.000 0.813 3180 P CB -0.126 31.443 31.700 -0.218 0.000 0.778 3181 V N -0.570 119.306 119.914 -0.063 0.000 2.427 3181 V HA -0.128 3.978 4.120 -0.022 0.000 0.248 3181 V C 2.597 178.688 176.094 -0.005 0.000 1.051 3181 V CA 2.315 64.597 62.300 -0.030 0.000 1.048 3181 V CB -2.028 29.821 31.823 0.043 0.000 0.666 3181 V HN 0.154 nan 8.190 nan 0.000 0.456 3182 G N -0.137 108.667 108.800 0.006 0.000 2.394 3182 G HA2 -0.257 3.689 3.960 -0.022 0.000 0.214 3182 G HA3 -0.257 3.689 3.960 -0.022 0.000 0.214 3182 G C 1.605 176.348 174.900 -0.262 0.000 1.176 3182 G CA 0.938 46.010 45.100 -0.047 0.000 0.786 3182 G HN 0.477 nan 8.290 nan 0.000 0.533 3183 K N -0.529 119.614 120.400 -0.428 0.000 2.044 3183 K HA -0.096 4.211 4.320 -0.022 0.000 0.210 3183 K C 2.411 179.141 176.600 0.217 0.000 1.049 3183 K CA 1.055 57.161 56.287 -0.301 0.000 0.927 3183 K CB -0.325 32.034 32.500 -0.235 0.000 0.713 3183 K HN 0.165 nan 8.250 nan 0.000 0.443 3184 L N 1.047 122.335 121.223 0.108 0.000 1.989 3184 L HA -0.252 4.074 4.340 -0.022 0.000 0.211 3184 L C 2.467 179.484 176.870 0.245 0.000 1.071 3184 L CA 1.496 56.403 54.840 0.111 0.000 0.749 3184 L CB -1.268 40.721 42.059 -0.118 0.000 0.890 3184 L HN 0.422 nan 8.230 nan 0.000 0.431 3185 C N -0.634 118.801 119.300 0.226 0.000 2.369 3185 C HA -0.266 4.181 4.460 -0.022 0.000 0.273 3185 C C 2.859 178.075 174.990 0.378 0.000 1.172 3185 C CA 1.165 60.427 59.018 0.407 0.000 1.791 3185 C CB -1.052 26.881 27.740 0.322 0.000 2.086 3185 C HN 0.484 nan 8.230 nan 0.000 0.459 3186 L N -1.750 119.626 121.223 0.256 0.000 2.027 3186 L HA -0.143 4.184 4.340 -0.022 0.000 0.206 3186 L C 2.400 179.373 176.870 0.172 0.000 1.074 3186 L CA 1.681 56.638 54.840 0.196 0.000 0.745 3186 L CB -0.938 41.255 42.059 0.223 0.000 0.898 3186 L HN 0.297 nan 8.230 nan 0.000 0.433 3187 Y N 0.768 121.169 120.300 0.170 0.000 2.096 3187 Y HA -0.385 4.152 4.550 -0.021 0.000 0.276 3187 Y C 2.805 178.681 175.900 -0.040 0.000 1.209 3187 Y CA 2.358 60.521 58.100 0.105 0.000 1.137 3187 Y CB -0.730 37.787 38.460 0.095 0.000 0.956 3187 Y HN 0.213 nan 8.280 nan 0.000 0.506 3188 T N -0.886 113.717 114.554 0.083 0.000 2.814 3188 T HA -0.045 4.291 4.350 -0.022 0.000 0.254 3188 T C 2.183 176.789 174.700 -0.157 0.000 1.037 3188 T CA 0.920 62.907 62.100 -0.189 0.000 1.143 3188 T CB -0.815 67.683 68.868 -0.617 0.000 0.866 3188 T HN 0.404 nan 8.240 nan 0.000 0.431 3189 A N 1.053 123.850 122.820 -0.038 0.000 1.884 3189 A HA -0.201 4.106 4.320 -0.022 0.000 0.219 3189 A C 2.654 180.242 177.584 0.006 0.000 1.197 3189 A CA 2.063 54.139 52.037 0.066 0.000 0.637 3189 A CB -1.413 17.690 19.000 0.172 0.000 0.827 3189 A HN 0.660 nan 8.150 nan 0.000 0.450 3190 C N -1.863 117.417 119.300 -0.034 0.000 2.522 3190 C HA 0.370 4.817 4.460 -0.022 0.000 0.280 3190 C C 3.273 178.205 174.990 -0.097 0.000 1.303 3190 C CA 0.440 59.403 59.018 -0.092 0.000 1.709 3190 C CB -1.076 26.554 27.740 -0.183 0.000 2.071 3190 C HN 0.713 nan 8.230 nan 0.000 0.492 3191 A N -0.280 122.480 122.820 -0.100 0.000 1.903 3191 A HA 0.430 4.737 4.320 -0.022 0.000 0.213 3191 A C 1.887 179.456 177.584 -0.026 0.000 1.185 3191 A CA 1.638 53.630 52.037 -0.076 0.000 0.628 3191 A CB -0.817 18.136 19.000 -0.078 0.000 0.830 3191 A HN 1.316 nan 8.150 nan 0.000 0.446 3192 G N -1.253 107.545 108.800 -0.004 0.000 2.135 3192 G HA2 -0.140 3.806 3.960 -0.022 0.000 0.183 3192 G HA3 -0.140 3.806 3.960 -0.022 0.000 0.183 3192 G C 0.135 175.071 174.900 0.059 0.000 1.004 3192 G CA 0.052 45.193 45.100 0.067 0.000 0.677 3192 G HN 0.390 nan 8.290 nan 0.000 0.512 3193 I N 0.231 120.784 120.570 -0.028 0.000 3.269 3193 I HA 0.253 4.409 4.170 -0.022 0.000 0.287 3193 I C 1.229 177.215 176.117 -0.218 0.000 1.152 3193 I CA -0.386 60.873 61.300 -0.069 0.000 1.263 3193 I CB 0.323 38.302 38.000 -0.036 0.000 1.439 3193 I HN -0.046 nan 8.210 nan 0.000 0.637 3194 R N 3.517 123.869 120.500 -0.246 0.000 2.210 3194 R HA 0.185 4.511 4.340 -0.022 0.000 0.338 3194 R C -1.758 174.252 176.300 -0.483 0.000 1.062 3194 R CA -1.506 54.331 56.100 -0.438 0.000 0.902 3194 R CB 0.820 31.000 30.300 -0.200 0.000 1.050 3194 R HN 0.309 nan 8.270 nan 0.000 0.461 3195 P HA -0.223 nan 4.420 nan 0.000 0.218 3195 P C 0.317 177.488 177.300 -0.215 0.000 1.152 3195 P CA 1.432 64.260 63.100 -0.452 0.000 0.857 3195 P CB 0.306 31.719 31.700 -0.478 0.000 0.787 3196 D N -1.023 119.265 120.400 -0.188 0.000 2.144 3196 D HA -0.111 4.516 4.640 -0.022 0.000 0.200 3196 D C 1.613 177.903 176.300 -0.016 0.000 0.978 3196 D CA 0.896 54.871 54.000 -0.041 0.000 0.833 3196 D CB -0.675 40.119 40.800 -0.010 0.000 0.961 3196 D HN 0.182 nan 8.370 nan 0.000 0.470 3197 R N 0.220 120.660 120.500 -0.099 0.000 2.323 3197 R HA 0.089 4.415 4.340 -0.022 0.000 0.198 3197 R C 0.166 176.343 176.300 -0.204 0.000 0.988 3197 R CA -0.037 55.982 56.100 -0.134 0.000 1.041 3197 R CB -0.971 29.232 30.300 -0.161 0.000 0.926 3197 R HN 0.205 nan 8.270 nan 0.000 0.476 3198 C N 1.724 120.906 119.300 -0.195 0.000 2.329 3198 C HA 0.572 5.018 4.460 -0.022 0.000 0.329 3198 C C -0.096 174.724 174.990 -0.284 0.000 1.275 3198 C CA -1.285 57.570 59.018 -0.272 0.000 1.726 3198 C CB 0.750 28.336 27.740 -0.258 0.000 2.291 3198 C HN 0.245 nan 8.230 nan 0.000 0.514 3199 L N 6.798 127.755 121.223 -0.444 0.000 2.372 3199 L HA 0.735 5.062 4.340 -0.022 0.000 0.274 3199 L C -2.686 173.833 176.870 -0.586 0.000 0.988 3199 L CA -2.098 52.361 54.840 -0.635 0.000 0.833 3199 L CB 1.676 43.182 42.059 -0.922 0.000 1.236 3199 L HN 0.437 nan 8.230 nan 0.000 0.410 3200 P HA 0.555 nan 4.420 nan 0.000 0.292 3200 P C -1.407 175.580 177.300 -0.522 0.000 1.283 3200 P CA -0.374 62.455 63.100 -0.451 0.000 0.835 3200 P CB 2.369 33.870 31.700 -0.332 0.000 1.017 3201 V N 1.412 121.043 119.914 -0.472 0.000 3.181 3201 V HA 0.642 4.748 4.120 -0.022 0.000 0.308 3201 V C -0.547 175.268 176.094 -0.465 0.000 1.214 3201 V CA -0.623 61.383 62.300 -0.491 0.000 1.053 3201 V CB 2.328 33.893 31.823 -0.430 0.000 1.069 3201 V HN 0.937 nan 8.190 nan 0.000 0.441 3202 C N 2.739 121.766 119.300 -0.456 0.000 2.968 3202 C HA 0.556 5.003 4.460 -0.022 0.000 0.389 3202 C C -1.010 173.804 174.990 -0.294 0.000 1.068 3202 C CA -0.379 58.417 59.018 -0.369 0.000 1.272 3202 C CB -0.701 26.858 27.740 -0.301 0.000 1.711 3202 C HN 0.805 nan 8.230 nan 0.000 0.501 3203 I N 5.919 126.282 120.570 -0.344 0.000 2.337 3203 I HA 0.257 4.414 4.170 -0.022 0.000 0.291 3203 I C 0.374 176.403 176.117 -0.147 0.000 1.046 3203 I CA 0.509 61.648 61.300 -0.269 0.000 1.324 3203 I CB 0.551 38.313 38.000 -0.397 0.000 1.409 3203 I HN 0.692 nan 8.210 nan 0.000 0.494 3204 D N 7.095 127.461 120.400 -0.056 0.000 2.264 3204 D HA 0.299 4.925 4.640 -0.022 0.000 0.249 3204 D C -0.523 175.793 176.300 0.025 0.000 1.070 3204 D CA -0.249 53.751 54.000 0.001 0.000 0.912 3204 D CB 1.930 42.747 40.800 0.028 0.000 1.193 3204 D HN 0.273 nan 8.370 nan 0.000 0.427 3205 V N 1.193 121.145 119.914 0.063 0.000 2.939 3205 V HA 0.495 4.601 4.120 -0.022 0.000 0.320 3205 V C 0.947 177.092 176.094 0.085 0.000 1.101 3205 V CA -0.238 62.122 62.300 0.101 0.000 1.345 3205 V CB -0.036 31.910 31.823 0.204 0.000 1.079 3205 V HN 0.900 nan 8.190 nan 0.000 0.549 3206 G N 1.503 110.351 108.800 0.080 0.000 2.611 3206 G HA2 -0.064 3.883 3.960 -0.022 0.000 0.301 3206 G HA3 -0.064 3.883 3.960 -0.022 0.000 0.301 3206 G C 0.192 175.121 174.900 0.048 0.000 1.233 3206 G CA 1.474 46.621 45.100 0.079 0.000 0.993 3206 G HN 1.780 nan 8.290 nan 0.000 0.553 3207 T N -3.604 110.947 114.554 -0.005 0.000 2.674 3207 T HA 0.489 4.825 4.350 -0.022 0.000 0.298 3207 T C -0.544 174.111 174.700 -0.074 0.000 1.775 3207 T CA 0.806 62.868 62.100 -0.063 0.000 0.960 3207 T CB 0.746 69.515 68.868 -0.165 0.000 1.976 3207 T HN 0.530 nan 8.240 nan 0.000 0.459 3208 D N 0.247 120.586 120.400 -0.100 0.000 3.208 3208 D HA 0.182 4.809 4.640 -0.022 0.000 0.281 3208 D C 0.393 176.626 176.300 -0.111 0.000 1.328 3208 D CA 0.048 53.997 54.000 -0.084 0.000 1.102 3208 D CB -0.223 40.537 40.800 -0.067 0.000 1.267 3208 D HN 0.498 nan 8.370 nan 0.000 0.405 3209 N N 2.609 121.229 118.700 -0.134 0.000 2.142 3209 N HA -0.126 4.600 4.740 -0.022 0.000 0.282 3209 N C 1.229 176.634 175.510 -0.175 0.000 1.342 3209 N CA 0.146 53.105 53.050 -0.150 0.000 0.831 3209 N CB 0.330 38.706 38.487 -0.185 0.000 1.083 3209 N HN 0.100 nan 8.380 nan 0.000 0.492 3210 I N 2.817 123.314 120.570 -0.123 0.000 2.439 3210 I HA -0.165 3.992 4.170 -0.022 0.000 0.251 3210 I C 2.206 178.245 176.117 -0.129 0.000 1.139 3210 I CA 0.882 62.116 61.300 -0.110 0.000 1.438 3210 I CB -2.219 35.742 38.000 -0.064 0.000 1.085 3210 I HN 0.566 nan 8.210 nan 0.000 0.427 3211 A N 2.859 125.604 122.820 -0.125 0.000 1.863 3211 A HA -0.245 4.062 4.320 -0.022 0.000 0.218 3211 A C 2.405 179.891 177.584 -0.164 0.000 1.233 3211 A CA 2.580 54.551 52.037 -0.111 0.000 0.655 3211 A CB -1.250 17.692 19.000 -0.096 0.000 0.839 3211 A HN 0.465 nan 8.150 nan 0.000 0.454 3212 L N -0.808 120.224 121.223 -0.318 0.000 2.042 3212 L HA -0.174 4.152 4.340 -0.022 0.000 0.210 3212 L C 2.437 178.993 176.870 -0.523 0.000 1.076 3212 L CA 1.313 55.828 54.840 -0.542 0.000 0.749 3212 L CB -0.851 40.543 42.059 -1.108 0.000 0.893 3212 L HN 0.334 nan 8.230 nan 0.000 0.432 3213 L N 0.045 120.998 121.223 -0.449 0.000 2.270 3213 L HA -0.222 4.104 4.340 -0.022 0.000 0.217 3213 L C 1.766 178.600 176.870 -0.061 0.000 1.107 3213 L CA 1.410 56.081 54.840 -0.283 0.000 0.772 3213 L CB -0.470 41.496 42.059 -0.155 0.000 0.902 3213 L HN 0.363 nan 8.230 nan 0.000 0.439 3214 K N -1.848 118.520 120.400 -0.053 0.000 2.414 3214 K HA 0.153 4.459 4.320 -0.022 0.000 0.204 3214 K C -0.115 176.531 176.600 0.078 0.000 1.026 3214 K CA -0.221 56.092 56.287 0.045 0.000 1.108 3214 K CB 0.256 32.768 32.500 0.020 0.000 0.855 3214 K HN -0.081 nan 8.250 nan 0.000 0.517 3215 D N 2.082 122.518 120.400 0.059 0.000 2.280 3215 D HA 0.094 4.721 4.640 -0.022 0.000 0.243 3215 D C -1.468 174.961 176.300 0.215 0.000 1.129 3215 D CA -2.488 51.605 54.000 0.154 0.000 0.848 3215 D CB 1.481 42.386 40.800 0.174 0.000 1.107 3215 D HN -0.080 nan 8.370 nan 0.000 0.471 3216 P HA -0.069 nan 4.420 nan 0.000 0.223 3216 P C 0.923 178.118 177.300 -0.176 0.000 1.151 3216 P CA 0.690 63.721 63.100 -0.114 0.000 0.787 3216 P CB 0.086 31.553 31.700 -0.388 0.000 0.788 3217 F N -2.284 117.769 119.950 0.172 0.000 2.749 3217 F HA 0.176 4.689 4.527 -0.023 0.000 0.300 3217 F C 1.750 177.720 175.800 0.284 0.000 1.103 3217 F CA -0.876 57.217 58.000 0.154 0.000 1.342 3217 F CB -0.966 38.066 39.000 0.054 0.000 1.098 3217 F HN -0.151 nan 8.300 nan 0.000 0.586 3221 L N 0.828 122.006 121.223 -0.074 0.000 2.660 3221 L HA 0.146 4.473 4.340 -0.022 0.000 0.272 3221 L C -0.288 176.724 176.870 0.237 0.000 1.194 3221 L CA -0.034 54.874 54.840 0.115 0.000 0.945 3221 L CB -0.812 41.296 42.059 0.082 0.000 1.212 3221 L HN 0.392 nan 8.230 nan 0.000 0.490 3222 Y N 5.239 125.592 120.300 0.088 0.000 2.600 3222 Y HA 0.399 4.935 4.550 -0.023 0.000 0.351 3222 Y C 0.738 176.672 175.900 0.056 0.000 1.042 3222 Y CA -0.043 58.122 58.100 0.109 0.000 1.333 3222 Y CB -0.076 38.427 38.460 0.071 0.000 1.172 3222 Y HN 0.665 nan 8.280 nan 0.000 0.517 3223 Q N 0.468 120.356 119.800 0.146 0.000 3.074 3223 Q HA 0.331 4.657 4.340 -0.022 0.000 0.329 3223 Q C -1.930 174.094 176.000 0.041 0.000 0.839 3223 Q CA -1.254 54.602 55.803 0.088 0.000 0.853 3223 Q CB 1.035 29.825 28.738 0.085 0.000 1.474 3223 Q HN 0.270 nan 8.270 nan 0.000 0.481 3224 K N 0.996 121.413 120.400 0.028 0.000 2.130 3224 K HA 0.449 4.756 4.320 -0.022 0.000 0.268 3224 K C -0.657 175.953 176.600 0.017 0.000 0.983 3224 K CA -0.519 55.772 56.287 0.007 0.000 0.893 3224 K CB 1.189 33.688 32.500 -0.000 0.000 1.066 3224 K HN 0.470 nan 8.250 nan 0.000 0.450 3225 R N 1.772 122.274 120.500 0.003 0.000 2.504 3225 R HA -0.165 4.162 4.340 -0.022 0.000 0.302 3225 R C -0.609 175.703 176.300 0.020 0.000 0.893 3225 R CA 0.645 56.753 56.100 0.013 0.000 1.138 3225 R CB -0.122 30.165 30.300 -0.021 0.000 0.880 3225 R HN 0.607 nan 8.270 nan 0.000 0.415 3226 D N 2.348 122.787 120.400 0.066 0.000 2.317 3226 D HA 0.055 4.681 4.640 -0.022 0.000 0.252 3226 D C 0.431 176.758 176.300 0.045 0.000 1.174 3226 D CA -0.106 53.940 54.000 0.077 0.000 0.866 3226 D CB 0.787 41.664 40.800 0.128 0.000 1.127 3226 D HN 0.413 nan 8.370 nan 0.000 0.467 3227 R N 1.602 122.094 120.500 -0.013 0.000 2.373 3227 R HA 0.117 4.444 4.340 -0.022 0.000 0.221 3227 R C 0.681 176.969 176.300 -0.020 0.000 0.893 3227 R CA -0.090 55.948 56.100 -0.103 0.000 1.049 3227 R CB 0.581 30.811 30.300 -0.117 0.000 1.119 3227 R HN 0.498 nan 8.270 nan 0.000 0.535 3228 T N -1.070 113.509 114.554 0.042 0.000 2.898 3228 T HA -0.037 4.300 4.350 -0.022 0.000 0.301 3228 T C 1.252 176.025 174.700 0.122 0.000 1.049 3228 T CA -0.418 61.721 62.100 0.065 0.000 1.095 3228 T CB 1.494 70.397 68.868 0.059 0.000 0.976 3228 T HN 0.066 nan 8.240 nan 0.000 0.539 3229 Q N 1.793 121.661 119.800 0.113 0.000 2.195 3229 Q HA -0.372 3.954 4.340 -0.022 0.000 0.220 3229 Q C 2.139 178.249 176.000 0.183 0.000 1.070 3229 Q CA 3.191 59.079 55.803 0.142 0.000 0.945 3229 Q CB -0.981 27.818 28.738 0.102 0.000 1.085 3229 Q HN 0.955 nan 8.270 nan 0.000 0.452 3230 Q N -1.912 117.978 119.800 0.149 0.000 2.208 3230 Q HA -0.331 3.996 4.340 -0.022 0.000 0.219 3230 Q C 1.789 177.897 176.000 0.181 0.000 1.027 3230 Q CA 2.316 58.203 55.803 0.141 0.000 0.925 3230 Q CB -0.606 28.206 28.738 0.124 0.000 1.006 3230 Q HN 0.651 nan 8.270 nan 0.000 0.415 3231 Y N 1.734 122.095 120.300 0.102 0.000 2.006 3231 Y HA -0.293 4.244 4.550 -0.022 0.000 0.266 3231 Y C 1.773 177.784 175.900 0.185 0.000 1.133 3231 Y CA 2.353 60.531 58.100 0.130 0.000 1.098 3231 Y CB -0.355 38.190 38.460 0.141 0.000 0.969 3231 Y HN 0.205 nan 8.280 nan 0.000 0.482 3232 D N 0.003 120.721 120.400 0.531 0.000 2.228 3232 D HA -0.181 4.446 4.640 -0.022 0.000 0.203 3232 D C 1.470 177.927 176.300 0.262 0.000 0.988 3232 D CA 1.687 55.972 54.000 0.474 0.000 0.864 3232 D CB -0.511 40.570 40.800 0.468 0.000 0.928 3232 D HN 0.466 nan 8.370 nan 0.000 0.469 3233 D N -0.149 120.366 120.400 0.191 0.000 2.078 3233 D HA -0.100 4.527 4.640 -0.022 0.000 0.193 3233 D C 1.891 178.247 176.300 0.094 0.000 0.990 3233 D CA 0.379 54.462 54.000 0.137 0.000 0.827 3233 D CB -0.447 40.418 40.800 0.110 0.000 0.975 3233 D HN 0.065 nan 8.370 nan 0.000 0.451 3234 L N 0.821 122.069 121.223 0.042 0.000 2.089 3234 L HA -0.191 4.136 4.340 -0.022 0.000 0.213 3234 L C 1.895 178.773 176.870 0.015 0.000 1.079 3234 L CA 1.474 56.315 54.840 0.002 0.000 0.758 3234 L CB -0.364 41.655 42.059 -0.067 0.000 0.891 3234 L HN 0.103 nan 8.230 nan 0.000 0.433 3235 I N -0.824 119.716 120.570 -0.051 0.000 2.179 3235 I HA -0.269 3.887 4.170 -0.022 0.000 0.242 3235 I C 2.155 178.353 176.117 0.135 0.000 1.088 3235 I CA 1.687 62.989 61.300 0.002 0.000 1.357 3235 I CB -1.515 36.342 38.000 -0.238 0.000 1.051 3235 I HN 0.291 nan 8.210 nan 0.000 0.409 3236 D N 0.940 121.440 120.400 0.167 0.000 2.087 3236 D HA -0.249 4.378 4.640 -0.022 0.000 0.192 3236 D C 2.140 178.488 176.300 0.081 0.000 0.993 3236 D CA 1.817 55.942 54.000 0.209 0.000 0.828 3236 D CB -0.128 40.835 40.800 0.273 0.000 0.968 3236 D HN 0.468 nan 8.370 nan 0.000 0.448 3237 E N 0.136 120.384 120.200 0.080 0.000 2.035 3237 E HA -0.245 4.092 4.350 -0.022 0.000 0.204 3237 E C 0.984 177.573 176.600 -0.018 0.000 1.025 3237 E CA 0.620 57.041 56.400 0.036 0.000 0.835 3237 E CB -0.354 29.374 29.700 0.047 0.000 0.764 3237 E HN 0.279 nan 8.360 nan 0.000 0.457 3241 A N 2.477 125.170 122.820 -0.212 0.000 1.903 3241 A HA -0.175 4.131 4.320 -0.022 0.000 0.219 3241 A C 2.014 179.499 177.584 -0.165 0.000 1.191 3241 A CA 2.114 54.060 52.037 -0.151 0.000 0.638 3241 A CB -0.786 18.147 19.000 -0.111 0.000 0.823 3241 A HN 0.400 nan 8.150 nan 0.000 0.451 3242 I N 0.325 120.714 120.570 -0.302 0.000 2.142 3242 I HA -0.216 3.941 4.170 -0.022 0.000 0.240 3242 I C 2.730 178.761 176.117 -0.142 0.000 1.078 3242 I CA 2.261 63.422 61.300 -0.232 0.000 1.343 3242 I CB -2.058 35.640 38.000 -0.502 0.000 1.046 3242 I HN 0.513 nan 8.210 nan 0.000 0.405 3243 T N -1.178 113.204 114.554 -0.287 0.000 2.833 3243 T HA -0.172 4.165 4.350 -0.022 0.000 0.269 3243 T C 1.543 176.189 174.700 -0.089 0.000 1.054 3243 T CA 1.401 63.379 62.100 -0.205 0.000 1.135 3243 T CB -0.453 68.219 68.868 -0.326 0.000 0.869 3243 T HN 0.171 nan 8.240 nan 0.000 0.466 3244 D N 1.108 121.447 120.400 -0.102 0.000 2.084 3244 D HA -0.065 4.561 4.640 -0.022 0.000 0.194 3244 D C 2.301 178.564 176.300 -0.063 0.000 0.990 3244 D CA 1.013 54.976 54.000 -0.061 0.000 0.826 3244 D CB -0.158 40.603 40.800 -0.065 0.000 0.971 3244 D HN 0.361 nan 8.370 nan 0.000 0.453 3245 R N -1.251 119.198 120.500 -0.084 0.000 2.140 3245 R HA -0.034 4.292 4.340 -0.022 0.000 0.213 3245 R C 1.378 177.503 176.300 -0.292 0.000 1.059 3245 R CA 0.722 56.708 56.100 -0.189 0.000 1.000 3245 R CB -0.022 30.127 30.300 -0.251 0.000 0.910 3245 R HN 0.283 nan 8.270 nan 0.000 0.455 3246 Y N -0.645 119.631 120.300 -0.041 0.000 2.481 3246 Y HA 0.353 4.888 4.550 -0.024 0.000 0.258 3246 Y C 0.748 176.648 175.900 0.000 0.000 1.103 3246 Y CA 0.591 58.685 58.100 -0.009 0.000 1.287 3246 Y CB 1.405 39.836 38.460 -0.049 0.000 1.108 3246 Y HN 0.307 nan 8.280 nan 0.000 0.529 3247 G N -0.250 108.602 108.800 0.085 0.000 2.465 3247 G HA2 -0.077 3.869 3.960 -0.022 0.000 0.681 3247 G HA3 -0.077 3.869 3.960 -0.022 0.000 0.681 3247 G C -0.254 174.654 174.900 0.013 0.000 1.340 3247 G CA -0.983 44.153 45.100 0.060 0.000 0.884 3247 G HN -0.141 nan 8.290 nan 0.000 0.650 3248 R N 0.807 121.327 120.500 0.034 0.000 2.119 3248 R HA -0.005 4.321 4.340 -0.022 0.000 0.222 3248 R C 2.211 178.525 176.300 0.023 0.000 1.088 3248 R CA 1.436 57.560 56.100 0.039 0.000 0.984 3248 R CB -0.711 29.654 30.300 0.109 0.000 0.884 3248 R HN 0.760 nan 8.270 nan 0.000 0.447 3249 N N 0.197 118.917 118.700 0.034 0.000 2.515 3249 N HA -0.054 4.672 4.740 -0.022 0.000 0.191 3249 N C -0.300 175.196 175.510 -0.022 0.000 1.182 3249 N CA 0.225 53.280 53.050 0.009 0.000 0.879 3249 N CB -0.427 38.091 38.487 0.052 0.000 0.984 3249 N HN -0.179 nan 8.380 nan 0.000 0.453 3250 T N 1.622 116.151 114.554 -0.042 0.000 2.901 3250 T HA 0.141 4.477 4.350 -0.022 0.000 0.301 3250 T C -0.011 174.630 174.700 -0.098 0.000 1.012 3250 T CA -0.486 61.564 62.100 -0.083 0.000 1.135 3250 T CB 0.575 69.382 68.868 -0.100 0.000 0.936 3250 T HN 0.194 nan 8.240 nan 0.000 0.539 3251 L N 5.832 126.998 121.223 -0.095 0.000 2.360 3251 L HA 0.407 4.734 4.340 -0.022 0.000 0.276 3251 L C -0.575 176.228 176.870 -0.113 0.000 1.121 3251 L CA 0.303 55.111 54.840 -0.054 0.000 0.845 3251 L CB -0.039 42.016 42.059 -0.008 0.000 1.143 3251 L HN 0.550 nan 8.230 nan 0.000 0.452 3252 I N 6.066 126.600 120.570 -0.060 0.000 2.555 3252 I HA 0.205 4.361 4.170 -0.022 0.000 0.275 3252 I C -0.277 175.805 176.117 -0.057 0.000 1.082 3252 I CA -0.324 60.920 61.300 -0.093 0.000 1.167 3252 I CB 1.057 39.037 38.000 -0.034 0.000 1.312 3252 I HN 0.642 nan 8.210 nan 0.000 0.493 3253 Q N 5.617 125.271 119.800 -0.243 0.000 2.361 3253 Q HA 0.284 4.611 4.340 -0.022 0.000 0.250 3253 Q C -0.991 174.885 176.000 -0.207 0.000 1.023 3253 Q CA -0.460 55.088 55.803 -0.425 0.000 0.915 3253 Q CB 0.725 29.110 28.738 -0.590 0.000 1.238 3253 Q HN 0.290 nan 8.270 nan 0.000 0.451 3254 F N 2.335 122.133 119.950 -0.254 0.000 2.450 3254 F HA 0.217 4.732 4.527 -0.021 0.000 0.339 3254 F C 1.085 176.878 175.800 -0.012 0.000 1.146 3254 F CA 0.447 58.406 58.000 -0.067 0.000 1.267 3254 F CB 0.670 39.578 39.000 -0.154 0.000 1.178 3254 F HN 0.441 nan 8.300 nan 0.000 0.585 3255 E N 0.063 120.438 120.200 0.292 0.000 2.458 3255 E HA 0.096 4.432 4.350 -0.022 0.000 0.278 3255 E C -1.089 175.624 176.600 0.188 0.000 1.004 3255 E CA -0.671 55.820 56.400 0.152 0.000 0.823 3255 E CB 1.740 31.433 29.700 -0.011 0.000 1.396 3255 E HN 0.494 nan 8.360 nan 0.000 0.463 3256 D N 1.404 121.856 120.400 0.087 0.000 3.053 3256 D HA -0.232 4.395 4.640 -0.022 0.000 0.201 3256 D C -0.220 176.099 176.300 0.031 0.000 1.266 3256 D CA 1.128 55.155 54.000 0.046 0.000 0.637 3256 D CB -0.762 40.030 40.800 -0.013 0.000 0.939 3256 D HN 0.172 nan 8.370 nan 0.000 0.393 3257 F N -0.349 119.634 119.950 0.055 0.000 2.362 3257 F HA 0.455 4.968 4.527 -0.023 0.000 0.340 3257 F C 1.666 177.527 175.800 0.101 0.000 1.088 3257 F CA -0.377 57.691 58.000 0.113 0.000 1.096 3257 F CB 0.861 39.986 39.000 0.208 0.000 1.486 3257 F HN -0.048 nan 8.300 nan 0.000 0.500 3258 G N 1.634 110.738 108.800 0.508 0.000 2.857 3258 G HA2 0.157 4.104 3.960 -0.022 0.000 0.326 3258 G HA3 0.157 4.104 3.960 -0.022 0.000 0.326 3258 G C 0.291 175.356 174.900 0.274 0.000 0.950 3258 G CA -0.295 44.983 45.100 0.297 0.000 1.400 3258 G HN 0.712 nan 8.290 nan 0.000 0.473 3259 N N 1.476 120.304 118.700 0.213 0.000 1.409 3259 N HA -0.447 4.280 4.740 -0.022 0.000 0.113 3259 N C 1.651 177.336 175.510 0.293 0.000 0.398 3259 N CA 2.437 55.625 53.050 0.230 0.000 0.788 3259 N CB -0.697 37.891 38.487 0.169 0.000 0.637 3259 N HN 0.596 nan 8.380 nan 0.000 1.398 3260 H N 2.642 121.766 119.070 0.091 0.000 2.306 3260 H HA -0.133 4.409 4.556 -0.022 0.000 0.289 3260 H C 1.888 177.206 175.328 -0.016 0.000 1.081 3260 H CA 2.470 58.531 56.048 0.021 0.000 1.163 3260 H CB -0.860 28.892 29.762 -0.016 0.000 1.357 3260 H HN 0.424 nan 8.280 nan 0.000 0.524 3261 N N 0.813 119.583 118.700 0.118 0.000 2.007 3261 N HA -0.217 4.510 4.740 -0.022 0.000 0.197 3261 N C 2.140 177.605 175.510 -0.075 0.000 1.050 3261 N CA 1.423 54.351 53.050 -0.203 0.000 0.856 3261 N CB -0.600 38.020 38.487 0.222 0.000 1.050 3261 N HN 0.452 nan 8.380 nan 0.000 0.423 3262 A N 1.618 124.545 122.820 0.179 0.000 1.894 3262 A HA -0.234 4.073 4.320 -0.022 0.000 0.220 3262 A C 2.131 179.660 177.584 -0.093 0.000 1.237 3262 A CA 1.712 53.757 52.037 0.014 0.000 0.660 3262 A CB -1.322 17.740 19.000 0.104 0.000 0.835 3262 A HN 0.263 nan 8.150 nan 0.000 0.461 3263 F N 0.255 120.148 119.950 -0.096 0.000 2.010 3263 F HA -0.282 4.232 4.527 -0.022 0.000 0.296 3263 F C 2.748 178.488 175.800 -0.100 0.000 1.146 3263 F CA 2.516 60.420 58.000 -0.159 0.000 1.181 3263 F CB -0.418 38.378 39.000 -0.340 0.000 0.965 3263 F HN 0.384 nan 8.300 nan 0.000 0.480 3264 R N -0.059 120.525 120.500 0.139 0.000 2.136 3264 R HA -0.285 4.041 4.340 -0.022 0.000 0.242 3264 R C 2.226 178.487 176.300 -0.064 0.000 1.131 3264 R CA 2.504 58.613 56.100 0.016 0.000 0.937 3264 R CB -1.908 28.334 30.300 -0.097 0.000 0.863 3264 R HN 0.284 nan 8.270 nan 0.000 0.435 3265 F N 1.125 121.047 119.950 -0.048 0.000 2.091 3265 F HA -0.250 4.264 4.527 -0.021 0.000 0.299 3265 F C 2.547 178.199 175.800 -0.248 0.000 1.103 3265 F CA 0.818 58.728 58.000 -0.151 0.000 1.228 3265 F CB -0.465 38.386 39.000 -0.249 0.000 0.984 3265 F HN 0.099 nan 8.300 nan 0.000 0.477 3266 L N 0.944 122.101 121.223 -0.110 0.000 1.997 3266 L HA -0.254 4.073 4.340 -0.022 0.000 0.216 3266 L C 2.341 179.197 176.870 -0.023 0.000 1.074 3266 L CA 1.825 56.577 54.840 -0.146 0.000 0.763 3266 L CB -1.138 40.815 42.059 -0.177 0.000 0.890 3266 L HN 0.061 nan 8.230 nan 0.000 0.434 3267 R N -0.309 120.207 120.500 0.026 0.000 2.080 3267 R HA -0.234 4.093 4.340 -0.022 0.000 0.236 3267 R C 2.263 178.546 176.300 -0.027 0.000 1.137 3267 R CA 1.948 58.076 56.100 0.046 0.000 0.943 3267 R CB -0.306 30.050 30.300 0.094 0.000 0.846 3267 R HN 0.443 nan 8.270 nan 0.000 0.431 3268 K N 0.267 120.599 120.400 -0.113 0.000 1.974 3268 K HA -0.215 4.091 4.320 -0.022 0.000 0.229 3268 K C 1.831 178.247 176.600 -0.307 0.000 1.038 3268 K CA 2.168 58.271 56.287 -0.306 0.000 1.034 3268 K CB -0.614 31.526 32.500 -0.599 0.000 0.742 3268 K HN 0.169 nan 8.250 nan 0.000 0.446 3269 Y N 0.947 121.246 120.300 -0.003 0.000 2.632 3269 Y HA 0.015 4.552 4.550 -0.021 0.000 0.301 3269 Y C 2.087 177.995 175.900 0.014 0.000 1.172 3269 Y CA 0.765 58.828 58.100 -0.062 0.000 1.328 3269 Y CB -0.504 38.020 38.460 0.106 0.000 1.016 3269 Y HN 0.285 nan 8.280 nan 0.000 0.529 3270 R N 1.212 121.791 120.500 0.133 0.000 2.134 3270 R HA -0.234 4.093 4.340 -0.022 0.000 0.248 3270 R C 1.431 177.882 176.300 0.251 0.000 1.143 3270 R CA 2.309 58.509 56.100 0.166 0.000 0.957 3270 R CB -0.331 30.035 30.300 0.110 0.000 0.867 3270 R HN 0.182 nan 8.270 nan 0.000 0.441 3271 E N -0.228 120.077 120.200 0.174 0.000 2.452 3271 E HA -0.014 4.322 4.350 -0.022 0.000 0.197 3271 E C 1.351 178.092 176.600 0.234 0.000 1.022 3271 E CA 0.465 56.967 56.400 0.171 0.000 0.890 3271 E CB 0.395 30.091 29.700 -0.006 0.000 0.918 3271 E HN 0.450 nan 8.360 nan 0.000 0.496 3272 K N -0.798 119.649 120.400 0.079 0.000 2.211 3272 K HA 0.050 4.357 4.320 -0.022 0.000 0.201 3272 K C 0.169 176.616 176.600 -0.255 0.000 1.052 3272 K CA 0.559 56.747 56.287 -0.165 0.000 0.973 3272 K CB 0.494 32.698 32.500 -0.494 0.000 0.766 3272 K HN -0.037 nan 8.250 nan 0.000 0.466 3273 Y N -2.585 117.814 120.300 0.164 0.000 2.790 3273 Y HA 0.262 4.799 4.550 -0.021 0.000 0.323 3273 Y C -0.296 175.483 175.900 -0.202 0.000 1.230 3273 Y CA -1.601 56.470 58.100 -0.049 0.000 1.121 3273 Y CB 1.170 39.644 38.460 0.024 0.000 1.328 3273 Y HN -0.256 nan 8.280 nan 0.000 0.514 3274 C N 2.118 121.429 119.300 0.018 0.000 2.365 3274 C HA 0.323 4.770 4.460 -0.022 0.000 0.386 3274 C C 0.586 175.667 174.990 0.151 0.000 1.357 3274 C CA -0.099 58.913 59.018 -0.010 0.000 1.747 3274 C CB -2.373 25.335 27.740 -0.054 0.000 2.487 3274 C HN 0.656 nan 8.230 nan 0.000 0.585 3275 T N 0.226 114.918 114.554 0.230 0.000 2.944 3275 T HA 0.773 5.109 4.350 -0.022 0.000 0.284 3275 T C -0.788 174.126 174.700 0.357 0.000 1.010 3275 T CA -0.339 61.922 62.100 0.268 0.000 1.025 3275 T CB 1.310 70.362 68.868 0.305 0.000 1.079 3275 T HN 0.888 nan 8.240 nan 0.000 0.516 3276 F N 1.232 121.315 119.950 0.221 0.000 2.669 3276 F HA 0.498 5.012 4.527 -0.022 0.000 0.315 3276 F C -1.518 174.374 175.800 0.153 0.000 1.109 3276 F CA -1.357 56.753 58.000 0.183 0.000 1.028 3276 F CB 0.502 39.716 39.000 0.357 0.000 1.287 3276 F HN 0.582 nan 8.300 nan 0.000 0.452 3277 N N 2.973 121.811 118.700 0.229 0.000 2.518 3277 N HA 0.140 4.867 4.740 -0.022 0.000 0.283 3277 N C 0.219 175.912 175.510 0.306 0.000 1.119 3277 N CA 0.352 53.467 53.050 0.108 0.000 0.983 3277 N CB 1.565 40.024 38.487 -0.046 0.000 1.139 3277 N HN 1.035 nan 8.380 nan 0.000 0.465 3278 D N 1.730 122.253 120.400 0.204 0.000 2.144 3278 D HA -0.116 4.510 4.640 -0.022 0.000 0.207 3278 D C -0.043 176.324 176.300 0.112 0.000 0.970 3278 D CA 0.708 54.880 54.000 0.286 0.000 0.853 3278 D CB 0.100 40.971 40.800 0.119 0.000 1.007 3278 D HN 0.565 nan 8.370 nan 0.000 0.469 3279 D N 0.404 120.829 120.400 0.042 0.000 2.417 3279 D HA -0.085 4.541 4.640 -0.022 0.000 0.225 3279 D C 1.743 178.000 176.300 -0.071 0.000 0.983 3279 D CA 0.558 54.555 54.000 -0.006 0.000 0.949 3279 D CB 0.354 41.155 40.800 0.001 0.000 0.879 3279 D HN 0.486 nan 8.370 nan 0.000 0.520 3280 I N -0.744 119.761 120.570 -0.108 0.000 4.274 3280 I HA -0.072 4.085 4.170 -0.022 0.000 0.246 3280 I C 2.071 178.065 176.117 -0.205 0.000 1.052 3280 I CA -0.344 60.828 61.300 -0.213 0.000 1.840 3280 I CB -0.110 37.649 38.000 -0.403 0.000 1.576 3280 I HN -0.316 nan 8.210 nan 0.000 0.451 3281 Q N 1.139 120.758 119.800 -0.302 0.000 2.152 3281 Q HA -0.161 4.165 4.340 -0.022 0.000 0.206 3281 Q C 1.973 177.770 176.000 -0.339 0.000 0.985 3281 Q CA 2.133 57.535 55.803 -0.669 0.000 0.863 3281 Q CB -0.276 27.685 28.738 -1.294 0.000 0.904 3281 Q HN 0.681 nan 8.270 nan 0.000 0.422 3282 G N -0.819 107.975 108.800 -0.011 0.000 2.404 3282 G HA2 -0.190 3.757 3.960 -0.022 0.000 0.213 3282 G HA3 -0.190 3.757 3.960 -0.022 0.000 0.213 3282 G C 1.330 176.289 174.900 0.099 0.000 1.189 3282 G CA 1.009 46.198 45.100 0.148 0.000 0.796 3282 G HN 0.251 nan 8.290 nan 0.000 0.532 3283 T N 2.052 116.638 114.554 0.054 0.000 2.565 3283 T HA -0.192 4.144 4.350 -0.022 0.000 0.265 3283 T C 2.626 177.349 174.700 0.038 0.000 1.082 3283 T CA 2.172 64.292 62.100 0.034 0.000 1.173 3283 T CB -0.767 68.094 68.868 -0.012 0.000 0.864 3283 T HN 0.478 nan 8.240 nan 0.000 0.425 3284 A N 1.949 124.770 122.820 0.001 0.000 2.573 3284 A HA -0.116 4.190 4.320 -0.022 0.000 0.211 3284 A C 2.623 180.257 177.584 0.084 0.000 1.231 3284 A CA 2.941 54.992 52.037 0.022 0.000 0.977 3284 A CB -1.650 17.331 19.000 -0.031 0.000 0.761 3284 A HN 0.779 nan 8.150 nan 0.000 0.549 3285 A N -1.533 121.343 122.820 0.093 0.000 2.131 3285 A HA -0.155 4.151 4.320 -0.022 0.000 0.224 3285 A C 2.100 179.769 177.584 0.141 0.000 1.172 3285 A CA 2.949 55.062 52.037 0.127 0.000 0.672 3285 A CB -1.425 17.669 19.000 0.157 0.000 0.815 3285 A HN 1.091 nan 8.150 nan 0.000 0.477 3286 V N -1.521 118.474 119.914 0.135 0.000 2.323 3286 V HA -0.074 4.033 4.120 -0.022 0.000 0.244 3286 V C 2.823 179.080 176.094 0.272 0.000 1.041 3286 V CA 1.513 63.893 62.300 0.134 0.000 1.025 3286 V CB -1.847 29.986 31.823 0.018 0.000 0.656 3286 V HN 0.608 nan 8.190 nan 0.000 0.451 3287 A N 0.980 123.949 122.820 0.248 0.000 1.852 3287 A HA -0.299 4.008 4.320 -0.022 0.000 0.217 3287 A C 2.292 180.109 177.584 0.389 0.000 1.215 3287 A CA 2.625 54.889 52.037 0.378 0.000 0.641 3287 A CB -0.986 18.186 19.000 0.287 0.000 0.838 3287 A HN 0.511 nan 8.150 nan 0.000 0.450 3288 L N -0.644 120.721 121.223 0.237 0.000 2.081 3288 L HA -0.182 4.145 4.340 -0.022 0.000 0.212 3288 L C 2.732 179.696 176.870 0.158 0.000 1.080 3288 L CA 2.041 56.976 54.840 0.159 0.000 0.754 3288 L CB -0.375 41.753 42.059 0.116 0.000 0.893 3288 L HN 0.426 nan 8.230 nan 0.000 0.433 3289 A N -0.525 122.417 122.820 0.202 0.000 1.940 3289 A HA -0.124 4.183 4.320 -0.022 0.000 0.219 3289 A C 2.266 179.894 177.584 0.072 0.000 1.176 3289 A CA 1.677 53.809 52.037 0.158 0.000 0.631 3289 A CB -1.464 17.671 19.000 0.225 0.000 0.814 3289 A HN 0.552 nan 8.150 nan 0.000 0.446 3290 G N 0.065 108.993 108.800 0.214 0.000 2.505 3290 G HA2 -0.110 3.836 3.960 -0.022 0.000 0.214 3290 G HA3 -0.110 3.836 3.960 -0.022 0.000 0.214 3290 G C 1.501 176.540 174.900 0.231 0.000 1.237 3290 G CA 0.953 46.045 45.100 -0.014 0.000 0.802 3290 G HN 0.409 nan 8.290 nan 0.000 0.549 3291 L N 0.249 121.612 121.223 0.233 0.000 1.980 3291 L HA -0.226 4.100 4.340 -0.022 0.000 0.232 3291 L C 2.909 179.757 176.870 -0.037 0.000 1.092 3291 L CA 1.339 56.130 54.840 -0.081 0.000 0.808 3291 L CB -1.146 40.842 42.059 -0.119 0.000 0.908 3291 L HN 0.132 nan 8.230 nan 0.000 0.442 3292 L N -0.424 120.795 121.223 -0.006 0.000 2.123 3292 L HA -0.345 3.981 4.340 -0.022 0.000 0.217 3292 L C 2.873 179.735 176.870 -0.014 0.000 1.081 3292 L CA 2.010 56.847 54.840 -0.005 0.000 0.772 3292 L CB -1.125 40.943 42.059 0.016 0.000 0.890 3292 L HN 0.473 nan 8.230 nan 0.000 0.437 3293 A N -0.258 122.543 122.820 -0.031 0.000 1.845 3293 A HA -0.156 4.151 4.320 -0.022 0.000 0.215 3293 A C 2.563 180.137 177.584 -0.017 0.000 1.195 3293 A CA 1.995 54.002 52.037 -0.049 0.000 0.616 3293 A CB -0.723 18.197 19.000 -0.134 0.000 0.832 3293 A HN 0.437 nan 8.150 nan 0.000 0.443 3294 A N -0.617 122.203 122.820 -0.001 0.000 1.865 3294 A HA -0.260 4.046 4.320 -0.022 0.000 0.217 3294 A C 2.169 179.751 177.584 -0.002 0.000 1.191 3294 A CA 2.302 54.343 52.037 0.007 0.000 0.623 3294 A CB -0.722 18.280 19.000 0.002 0.000 0.826 3294 A HN 0.629 nan 8.150 nan 0.000 0.444 3295 Q N 0.110 119.896 119.800 -0.023 0.000 2.443 3295 Q HA -0.147 4.180 4.340 -0.022 0.000 0.213 3295 Q C 1.685 177.709 176.000 0.039 0.000 0.982 3295 Q CA 2.058 57.872 55.803 0.018 0.000 0.894 3295 Q CB -0.423 28.319 28.738 0.006 0.000 0.947 3295 Q HN 0.665 nan 8.270 nan 0.000 0.480 3296 K N -0.812 119.601 120.400 0.021 0.000 2.486 3296 K HA -0.020 4.287 4.320 -0.022 0.000 0.194 3296 K C 1.278 177.893 176.600 0.025 0.000 1.033 3296 K CA 0.983 57.283 56.287 0.022 0.000 1.004 3296 K CB 0.310 32.817 32.500 0.012 0.000 0.798 3296 K HN 0.269 nan 8.250 nan 0.000 0.495 3297 V N -2.275 117.656 119.914 0.028 0.000 3.350 3297 V HA 0.100 4.206 4.120 -0.022 0.000 0.246 3297 V C 1.309 177.423 176.094 0.034 0.000 1.363 3297 V CA -0.057 62.261 62.300 0.030 0.000 1.162 3297 V CB -0.022 31.819 31.823 0.030 0.000 0.947 3297 V HN -0.007 nan 8.190 nan 0.000 0.454 3298 I N 2.886 123.480 120.570 0.040 0.000 2.439 3298 I HA 0.082 4.239 4.170 -0.022 0.000 0.251 3298 I C 1.518 177.674 176.117 0.064 0.000 1.139 3298 I CA 1.269 62.600 61.300 0.051 0.000 1.438 3298 I CB -0.779 37.258 38.000 0.061 0.000 1.085 3298 I HN 0.676 nan 8.210 nan 0.000 0.427 3299 S N 1.050 116.793 115.700 0.072 0.000 3.336 3299 S HA -0.260 4.197 4.470 -0.022 0.000 0.362 3299 S C 0.455 175.084 174.600 0.047 0.000 0.941 3299 S CA 0.349 58.586 58.200 0.062 0.000 1.297 3299 S CB -1.933 61.288 63.200 0.035 0.000 0.915 3299 S HN 0.455 nan 8.310 nan 0.000 0.527 3300 K N 1.341 121.797 120.400 0.093 0.000 2.244 3300 K HA 0.233 4.540 4.320 -0.022 0.000 0.263 3300 K C -2.616 173.796 176.600 -0.313 0.000 1.103 3300 K CA -2.370 53.875 56.287 -0.071 0.000 0.966 3300 K CB 0.643 33.144 32.500 0.001 0.000 1.429 3300 K HN 0.131 nan 8.250 nan 0.000 0.434 3301 P HA -0.186 nan 4.420 nan 0.000 0.148 3301 P C 0.584 177.724 177.300 -0.265 0.000 0.756 3301 P CA 0.414 63.422 63.100 -0.154 0.000 1.236 3301 P CB -0.435 31.205 31.700 -0.099 0.000 1.438 3302 I N 1.284 121.699 120.570 -0.259 0.000 4.821 3302 I HA -0.563 3.593 4.170 -0.022 0.000 0.053 3302 I C 2.379 178.362 176.117 -0.225 0.000 0.637 3302 I CA 2.537 63.744 61.300 -0.154 0.000 0.403 3302 I CB -1.761 36.276 38.000 0.060 0.000 0.420 3302 I HN 0.259 nan 8.210 nan 0.000 0.163 3303 S N -0.450 115.198 115.700 -0.086 0.000 2.557 3303 S HA -0.441 4.016 4.470 -0.022 0.000 0.344 3303 S C 1.647 176.210 174.600 -0.061 0.000 1.291 3303 S CA 2.823 60.990 58.200 -0.056 0.000 1.306 3303 S CB -0.894 62.272 63.200 -0.056 0.000 1.335 3303 S HN 0.688 nan 8.310 nan 0.000 0.466 3304 E N 0.859 120.980 120.200 -0.131 0.000 2.049 3304 E HA -0.118 4.219 4.350 -0.022 0.000 0.198 3304 E C 0.647 177.237 176.600 -0.017 0.000 1.007 3304 E CA 1.376 57.721 56.400 -0.093 0.000 0.809 3304 E CB -0.821 28.800 29.700 -0.132 0.000 0.749 3304 E HN 0.796 nan 8.360 nan 0.000 0.450 3305 H N 1.112 120.182 119.070 0.001 0.000 3.192 3305 H HA -0.081 4.461 4.556 -0.022 0.000 0.304 3305 H C -0.215 175.123 175.328 0.017 0.000 0.961 3305 H CA 0.653 56.698 56.048 -0.004 0.000 1.342 3305 H CB 0.224 29.980 29.762 -0.010 0.000 1.242 3305 H HN 0.050 nan 8.280 nan 0.000 0.583 3306 K N 3.729 124.215 120.400 0.143 0.000 2.640 3306 K HA 0.324 4.631 4.320 -0.022 0.000 0.245 3306 K C -1.092 175.539 176.600 0.052 0.000 0.962 3306 K CA -0.398 55.959 56.287 0.118 0.000 0.896 3306 K CB 0.977 33.536 32.500 0.098 0.000 1.147 3306 K HN 0.391 nan 8.250 nan 0.000 0.445 3307 I N 3.736 124.333 120.570 0.045 0.000 2.499 3307 I HA 0.369 4.526 4.170 -0.022 0.000 0.296 3307 I C -0.747 175.339 176.117 -0.052 0.000 0.992 3307 I CA -0.974 60.270 61.300 -0.093 0.000 1.297 3307 I CB 1.228 39.093 38.000 -0.224 0.000 1.410 3307 I HN 0.361 nan 8.210 nan 0.000 0.507 3308 L N 6.205 127.344 121.223 -0.140 0.000 2.464 3308 L HA 0.567 4.894 4.340 -0.022 0.000 0.266 3308 L C -1.493 175.420 176.870 0.072 0.000 0.965 3308 L CA -0.122 54.730 54.840 0.021 0.000 0.833 3308 L CB 1.485 43.566 42.059 0.037 0.000 1.296 3308 L HN 0.226 nan 8.230 nan 0.000 0.405 3309 F N 4.100 124.241 119.950 0.318 0.000 2.483 3309 F HA 0.480 4.994 4.527 -0.022 0.000 0.329 3309 F C 0.621 176.632 175.800 0.352 0.000 1.064 3309 F CA -0.595 57.564 58.000 0.265 0.000 0.986 3309 F CB 1.652 40.738 39.000 0.143 0.000 1.218 3309 F HN 0.406 nan 8.300 nan 0.000 0.484 3310 L N 1.035 122.468 121.223 0.350 0.000 2.728 3310 L HA 0.577 4.903 4.340 -0.022 0.000 0.238 3310 L C 0.180 177.110 176.870 0.099 0.000 1.143 3310 L CA 0.429 55.288 54.840 0.031 0.000 0.937 3310 L CB -0.511 41.228 42.059 -0.534 0.000 1.225 3310 L HN 0.527 nan 8.230 nan 0.000 0.507 3311 G N -1.677 107.193 108.800 0.118 0.000 2.725 3311 G HA2 0.638 4.584 3.960 -0.022 0.000 0.288 3311 G HA3 0.638 4.584 3.960 -0.022 0.000 0.288 3311 G C -1.111 173.785 174.900 -0.007 0.000 1.399 3311 G CA -0.173 44.930 45.100 0.006 0.000 0.859 3311 G HN 0.215 nan 8.290 nan 0.000 0.479 3312 A N -0.415 122.368 122.820 -0.061 0.000 2.897 3312 A HA 0.718 5.024 4.320 -0.022 0.000 0.230 3312 A C 0.287 177.815 177.584 -0.092 0.000 0.896 3312 A CA 0.425 52.422 52.037 -0.066 0.000 1.114 3312 A CB 0.151 19.145 19.000 -0.010 0.000 1.230 3312 A HN 1.703 nan 8.150 nan 0.000 0.481 3313 G N -0.706 108.027 108.800 -0.112 0.000 2.643 3313 G HA2 0.517 4.464 3.960 -0.022 0.000 0.305 3313 G HA3 0.517 4.464 3.960 -0.022 0.000 0.305 3313 G C 0.199 175.062 174.900 -0.061 0.000 1.387 3313 G CA 0.488 45.538 45.100 -0.083 0.000 0.982 3313 G HN 0.582 nan 8.290 nan 0.000 0.501 3314 E N 1.573 121.787 120.200 0.023 0.000 4.378 3314 E HA -0.447 3.890 4.350 -0.022 0.000 0.197 3314 E C 2.151 178.750 176.600 -0.002 0.000 1.332 3314 E CA 3.646 60.120 56.400 0.123 0.000 2.223 3314 E CB -1.264 28.472 29.700 0.060 0.000 1.908 3314 E HN 1.140 nan 8.360 nan 0.000 0.292 3315 A N 0.943 123.711 122.820 -0.087 0.000 1.834 3315 A HA 0.048 4.354 4.320 -0.022 0.000 0.216 3315 A C 2.581 179.998 177.584 -0.279 0.000 1.203 3315 A CA 3.653 55.599 52.037 -0.152 0.000 0.621 3315 A CB -1.554 17.354 19.000 -0.152 0.000 0.841 3315 A HN 1.074 nan 8.150 nan 0.000 0.446 3316 A N -0.519 122.047 122.820 -0.424 0.000 1.896 3316 A HA -0.185 4.121 4.320 -0.022 0.000 0.220 3316 A C 2.128 179.381 177.584 -0.551 0.000 1.206 3316 A CA 2.214 53.772 52.037 -0.799 0.000 0.647 3316 A CB -0.950 17.677 19.000 -0.621 0.000 0.828 3316 A HN 0.495 nan 8.150 nan 0.000 0.455 3317 L N -0.376 120.678 121.223 -0.283 0.000 1.955 3317 L HA -0.069 4.257 4.340 -0.022 0.000 0.213 3317 L C 2.914 179.736 176.870 -0.081 0.000 1.072 3317 L CA 2.000 56.736 54.840 -0.172 0.000 0.755 3317 L CB -1.405 40.633 42.059 -0.035 0.000 0.888 3317 L HN 0.403 nan 8.230 nan 0.000 0.432 3318 G N -0.449 108.355 108.800 0.008 0.000 2.475 3318 G HA2 -0.230 3.717 3.960 -0.022 0.000 0.220 3318 G HA3 -0.230 3.717 3.960 -0.022 0.000 0.220 3318 G C 1.625 176.506 174.900 -0.032 0.000 1.125 3318 G CA 1.268 46.369 45.100 0.002 0.000 0.755 3318 G HN 0.340 nan 8.290 nan 0.000 0.565 3319 I N 1.021 121.543 120.570 -0.079 0.000 2.188 3319 I HA -0.021 4.135 4.170 -0.022 0.000 0.237 3319 I C 3.271 179.431 176.117 0.071 0.000 1.073 3319 I CA 0.789 62.087 61.300 -0.004 0.000 1.359 3319 I CB -0.539 37.433 38.000 -0.046 0.000 1.083 3319 I HN 0.214 nan 8.210 nan 0.000 0.412 3320 A N 1.353 124.184 122.820 0.019 0.000 1.893 3320 A HA -0.408 3.898 4.320 -0.022 0.000 0.222 3320 A C 2.161 179.788 177.584 0.072 0.000 1.309 3320 A CA 2.897 54.931 52.037 -0.005 0.000 0.681 3320 A CB -1.602 16.987 19.000 -0.686 0.000 0.842 3320 A HN 0.636 nan 8.150 nan 0.000 0.468 3321 N N -0.502 118.242 118.700 0.074 0.000 2.005 3321 N HA -0.216 4.511 4.740 -0.022 0.000 0.199 3321 N C 1.784 177.402 175.510 0.180 0.000 1.054 3321 N CA 2.125 55.313 53.050 0.230 0.000 0.864 3321 N CB -0.357 38.251 38.487 0.202 0.000 1.063 3321 N HN 0.336 nan 8.380 nan 0.000 0.428 3322 L N 1.389 122.686 121.223 0.123 0.000 2.137 3322 L HA -0.161 4.166 4.340 -0.022 0.000 0.213 3322 L C 2.218 179.161 176.870 0.121 0.000 1.085 3322 L CA 1.273 56.180 54.840 0.113 0.000 0.760 3322 L CB -0.396 41.718 42.059 0.091 0.000 0.893 3322 L HN 0.333 nan 8.230 nan 0.000 0.434 3323 I N -2.173 118.478 120.570 0.136 0.000 2.202 3323 I HA -0.202 3.955 4.170 -0.022 0.000 0.242 3323 I C 1.371 177.570 176.117 0.136 0.000 1.091 3323 I CA 0.204 61.578 61.300 0.125 0.000 1.368 3323 I CB -0.562 37.515 38.000 0.129 0.000 1.058 3323 I HN -0.126 nan 8.210 nan 0.000 0.410 3329 E N 1.385 121.616 120.200 0.051 0.000 2.208 3329 E HA -0.127 4.209 4.350 -0.022 0.000 0.193 3329 E C 0.779 177.406 176.600 0.045 0.000 0.988 3329 E CA 1.334 57.765 56.400 0.051 0.000 0.828 3329 E CB 0.048 29.783 29.700 0.059 0.000 0.763 3329 E HN 0.607 nan 8.360 nan 0.000 0.478 3330 N N 0.874 119.601 118.700 0.045 0.000 3.052 3330 N HA 0.166 4.892 4.740 -0.022 0.000 0.302 3330 N C -0.662 174.866 175.510 0.030 0.000 1.332 3330 N CA 0.704 53.778 53.050 0.039 0.000 1.129 3330 N CB 0.553 39.067 38.487 0.046 0.000 1.436 3330 N HN 0.292 nan 8.380 nan 0.000 0.536 3331 G N 0.507 109.323 108.800 0.027 0.000 2.363 3331 G HA2 -0.251 3.696 3.960 -0.022 0.000 0.286 3331 G HA3 -0.251 3.696 3.960 -0.022 0.000 0.286 3331 G C -0.320 174.588 174.900 0.015 0.000 0.975 3331 G CA 0.353 45.464 45.100 0.018 0.000 1.309 3331 G HN 0.421 nan 8.290 nan 0.000 0.491 3332 L N -0.391 120.842 121.223 0.016 0.000 2.357 3332 L HA 0.904 5.230 4.340 -0.022 0.000 0.244 3332 L C 0.324 177.195 176.870 0.002 0.000 1.115 3332 L CA -0.323 54.522 54.840 0.009 0.000 0.919 3332 L CB 2.135 44.204 42.059 0.018 0.000 1.532 3332 L HN 0.597 nan 8.230 nan 0.000 0.416 3333 S N -0.889 114.805 115.700 -0.010 0.000 2.501 3333 S HA 0.301 4.758 4.470 -0.022 0.000 0.301 3333 S C 0.547 175.128 174.600 -0.032 0.000 1.096 3333 S CA -0.384 57.803 58.200 -0.023 0.000 1.063 3333 S CB 1.530 64.709 63.200 -0.036 0.000 1.042 3333 S HN 0.748 nan 8.310 nan 0.000 0.494 3334 E N 1.538 121.717 120.200 -0.034 0.000 2.118 3334 E HA -0.260 4.076 4.350 -0.022 0.000 0.195 3334 E C 1.687 178.223 176.600 -0.106 0.000 0.992 3334 E CA 1.768 58.140 56.400 -0.047 0.000 0.804 3334 E CB -0.072 29.603 29.700 -0.042 0.000 0.741 3334 E HN 0.811 nan 8.360 nan 0.000 0.458 3335 Q N 1.224 120.957 119.800 -0.111 0.000 1.921 3335 Q HA -0.238 4.089 4.340 -0.022 0.000 0.208 3335 Q C 1.733 177.630 176.000 -0.172 0.000 0.994 3335 Q CA 2.740 58.449 55.803 -0.157 0.000 0.857 3335 Q CB -0.325 28.337 28.738 -0.125 0.000 0.925 3335 Q HN 0.352 nan 8.270 nan 0.000 0.421 3336 E N 0.327 120.457 120.200 -0.118 0.000 2.171 3336 E HA -0.215 4.122 4.350 -0.022 0.000 0.197 3336 E C 1.892 178.443 176.600 -0.082 0.000 0.997 3336 E CA 1.160 57.499 56.400 -0.102 0.000 0.810 3336 E CB -0.459 29.206 29.700 -0.058 0.000 0.738 3336 E HN 0.488 nan 8.360 nan 0.000 0.467 3337 A N 2.368 125.154 122.820 -0.057 0.000 1.832 3337 A HA -0.239 4.067 4.320 -0.022 0.000 0.214 3337 A C 2.246 179.825 177.584 -0.009 0.000 1.200 3337 A CA 1.596 53.633 52.037 -0.000 0.000 0.610 3337 A CB -0.722 18.297 19.000 0.031 0.000 0.842 3337 A HN 0.395 nan 8.150 nan 0.000 0.444 3338 Q N -1.180 118.538 119.800 -0.137 0.000 2.557 3338 Q HA 0.048 4.374 4.340 -0.022 0.000 0.217 3338 Q C 0.883 176.654 176.000 -0.382 0.000 0.978 3338 Q CA 0.896 56.472 55.803 -0.378 0.000 0.950 3338 Q CB -0.042 28.092 28.738 -1.007 0.000 0.991 3338 Q HN 0.436 nan 8.270 nan 0.000 0.533 3339 K N 0.590 120.812 120.400 -0.296 0.000 2.414 3339 K HA 0.169 4.476 4.320 -0.022 0.000 0.204 3339 K C 0.161 176.644 176.600 -0.195 0.000 1.026 3339 K CA 0.040 56.027 56.287 -0.500 0.000 1.108 3339 K CB 0.655 32.911 32.500 -0.407 0.000 0.855 3339 K HN 0.130 nan 8.250 nan 0.000 0.517 3340 K N 0.386 120.795 120.400 0.014 0.000 2.438 3340 K HA 0.324 4.630 4.320 -0.022 0.000 0.205 3340 K C -0.333 176.411 176.600 0.241 0.000 1.033 3340 K CA 0.054 56.426 56.287 0.142 0.000 1.089 3340 K CB 0.952 33.518 32.500 0.109 0.000 0.857 3340 K HN -0.032 nan 8.250 nan 0.000 0.522 3341 I N 0.100 120.849 120.570 0.297 0.000 2.533 3341 I HA 0.397 4.554 4.170 -0.022 0.000 0.290 3341 I C -1.026 175.261 176.117 0.282 0.000 1.056 3341 I CA -0.974 60.533 61.300 0.345 0.000 1.057 3341 I CB 1.294 39.559 38.000 0.442 0.000 1.240 3341 I HN -0.089 nan 8.210 nan 0.000 0.423 3345 D N 4.770 125.042 120.400 -0.215 0.000 2.509 3345 D HA 0.179 4.806 4.640 -0.022 0.000 0.275 3345 D C 0.753 176.871 176.300 -0.303 0.000 1.189 3345 D CA -0.226 53.665 54.000 -0.181 0.000 1.098 3345 D CB 0.353 41.057 40.800 -0.159 0.000 1.177 3345 D HN 0.550 nan 8.370 nan 0.000 0.599 3346 K N -0.746 119.465 120.400 -0.315 0.000 2.525 3346 K HA -0.077 4.229 4.320 -0.022 0.000 0.192 3346 K C 0.055 176.479 176.600 -0.294 0.000 1.029 3346 K CA 0.483 56.571 56.287 -0.332 0.000 1.029 3346 K CB -0.401 31.825 32.500 -0.456 0.000 0.814 3346 K HN 0.506 nan 8.250 nan 0.000 0.503 3347 Y N 0.812 120.998 120.300 -0.189 0.000 2.634 3347 Y HA 0.238 4.775 4.550 -0.022 0.000 0.292 3347 Y C 0.791 176.537 175.900 -0.257 0.000 0.996 3347 Y CA -0.564 57.440 58.100 -0.159 0.000 1.165 3347 Y CB 1.180 39.580 38.460 -0.100 0.000 1.194 3347 Y HN 0.356 nan 8.280 nan 0.000 0.585 3348 G N 1.169 109.746 108.800 -0.372 0.000 2.632 3348 G HA2 -0.297 3.650 3.960 -0.022 0.000 0.224 3348 G HA3 -0.297 3.650 3.960 -0.022 0.000 0.224 3348 G C -0.941 173.388 174.900 -0.952 0.000 1.341 3348 G CA -0.526 44.207 45.100 -0.611 0.000 0.880 3348 G HN 0.353 nan 8.290 nan 0.000 0.566 3349 L N -0.194 120.878 121.223 -0.251 0.000 2.349 3349 L HA 0.653 4.980 4.340 -0.022 0.000 0.275 3349 L C 0.577 177.532 176.870 0.143 0.000 1.115 3349 L CA -1.030 53.907 54.840 0.161 0.000 0.820 3349 L CB 0.609 42.904 42.059 0.392 0.000 1.135 3349 L HN 0.618 nan 8.230 nan 0.000 0.445 3350 L N 6.737 128.092 121.223 0.220 0.000 2.454 3350 L HA 0.295 4.621 4.340 -0.022 0.000 0.284 3350 L C -0.116 176.905 176.870 0.251 0.000 1.139 3350 L CA 0.464 55.419 54.840 0.192 0.000 0.911 3350 L CB 0.269 42.434 42.059 0.177 0.000 1.262 3350 L HN 0.565 nan 8.230 nan 0.000 0.453 3351 V N 4.077 124.117 119.914 0.210 0.000 3.160 3351 V HA 0.425 4.532 4.120 -0.022 0.000 0.310 3351 V C -0.110 176.066 176.094 0.137 0.000 1.181 3351 V CA -1.186 61.254 62.300 0.234 0.000 1.047 3351 V CB 2.896 34.904 31.823 0.309 0.000 1.068 3351 V HN 0.496 nan 8.190 nan 0.000 0.441 3352 K N 1.708 122.183 120.400 0.124 0.000 2.472 3352 K HA 0.218 4.525 4.320 -0.022 0.000 0.280 3352 K C 1.073 177.711 176.600 0.063 0.000 1.028 3352 K CA 1.031 57.364 56.287 0.077 0.000 1.045 3352 K CB -0.196 32.344 32.500 0.067 0.000 0.902 3352 K HN 1.278 nan 8.250 nan 0.000 0.478 3353 G N 2.873 111.699 108.800 0.042 0.000 2.187 3353 G HA2 -0.389 3.557 3.960 -0.022 0.000 0.261 3353 G HA3 -0.389 3.557 3.960 -0.022 0.000 0.261 3353 G C 0.206 175.123 174.900 0.028 0.000 1.000 3353 G CA 1.017 46.134 45.100 0.029 0.000 0.718 3353 G HN 0.717 nan 8.290 nan 0.000 0.519 3354 R N -0.648 119.876 120.500 0.040 0.000 2.756 3354 R HA 0.515 4.841 4.340 -0.022 0.000 0.264 3354 R C 1.384 177.687 176.300 0.004 0.000 1.026 3354 R CA 0.465 56.585 56.100 0.033 0.000 1.121 3354 R CB 0.457 30.787 30.300 0.050 0.000 0.999 3354 R HN 0.068 nan 8.270 nan 0.000 0.449 3355 K N 1.466 121.860 120.400 -0.011 0.000 2.228 3355 K HA -0.202 4.105 4.320 -0.022 0.000 0.205 3355 K C 0.715 177.263 176.600 -0.087 0.000 1.045 3355 K CA 1.909 58.170 56.287 -0.044 0.000 0.931 3355 K CB -0.153 32.317 32.500 -0.051 0.000 0.727 3355 K HN 0.719 nan 8.250 nan 0.000 0.458 3356 A N 0.166 122.931 122.820 -0.092 0.000 2.445 3356 A HA 0.380 4.687 4.320 -0.022 0.000 0.270 3356 A C -0.542 177.004 177.584 -0.062 0.000 1.495 3356 A CA -0.120 51.828 52.037 -0.149 0.000 0.840 3356 A CB 0.254 19.181 19.000 -0.122 0.000 1.472 3356 A HN 0.014 nan 8.150 nan 0.000 0.541 3357 K N 0.010 120.394 120.400 -0.026 0.000 2.394 3357 K HA 0.590 4.896 4.320 -0.022 0.000 0.260 3357 K C -1.498 175.125 176.600 0.038 0.000 0.967 3357 K CA -0.083 56.206 56.287 0.004 0.000 0.855 3357 K CB 0.652 33.151 32.500 -0.001 0.000 1.101 3357 K HN 0.445 nan 8.250 nan 0.000 0.433 3358 I N 3.213 123.799 120.570 0.026 0.000 2.353 3358 I HA 0.180 4.337 4.170 -0.022 0.000 0.293 3358 I C 0.299 176.423 176.117 0.012 0.000 0.992 3358 I CA -0.673 60.645 61.300 0.032 0.000 1.268 3358 I CB 1.056 39.079 38.000 0.038 0.000 1.387 3358 I HN 0.550 nan 8.210 nan 0.000 0.478 3359 D N 3.829 124.234 120.400 0.009 0.000 2.283 3359 D HA 0.078 4.705 4.640 -0.022 0.000 0.248 3359 D C 1.218 177.517 176.300 -0.002 0.000 1.072 3359 D CA -0.365 53.630 54.000 -0.008 0.000 0.929 3359 D CB 1.479 42.264 40.800 -0.025 0.000 1.182 3359 D HN 0.541 nan 8.370 nan 0.000 0.433 3360 S N 2.042 117.716 115.700 -0.043 0.000 2.392 3360 S HA -0.322 4.135 4.470 -0.022 0.000 0.232 3360 S C 1.792 176.327 174.600 -0.108 0.000 1.041 3360 S CA 1.051 59.188 58.200 -0.104 0.000 1.026 3360 S CB -1.049 62.035 63.200 -0.194 0.000 0.845 3360 S HN 0.617 nan 8.310 nan 0.000 0.465 3361 Y N 1.671 121.891 120.300 -0.133 0.000 2.352 3361 Y HA -0.016 4.521 4.550 -0.022 0.000 0.292 3361 Y C 2.927 178.812 175.900 -0.025 0.000 1.136 3361 Y CA 1.593 59.609 58.100 -0.141 0.000 1.227 3361 Y CB -0.227 38.010 38.460 -0.370 0.000 0.991 3361 Y HN 0.429 nan 8.280 nan 0.000 0.545 3362 Q N -0.551 119.325 119.800 0.128 0.000 2.165 3362 Q HA -0.130 4.196 4.340 -0.022 0.000 0.197 3362 Q C 1.878 177.993 176.000 0.192 0.000 0.952 3362 Q CA 0.810 56.701 55.803 0.147 0.000 0.848 3362 Q CB 0.007 28.793 28.738 0.079 0.000 0.931 3362 Q HN 0.373 nan 8.270 nan 0.000 0.470 3363 E N 0.622 120.882 120.200 0.100 0.000 2.149 3363 E HA -0.243 4.093 4.350 -0.022 0.000 0.215 3363 E C -1.067 175.558 176.600 0.042 0.000 1.055 3363 E CA 2.175 58.609 56.400 0.057 0.000 0.870 3363 E CB -0.898 28.801 29.700 -0.002 0.000 0.764 3363 E HN 0.283 nan 8.360 nan 0.000 0.463 3364 P HA -0.156 nan 4.420 nan 0.000 0.222 3364 P C 0.112 177.146 177.300 -0.443 0.000 1.142 3364 P CA 1.268 64.229 63.100 -0.231 0.000 0.788 3364 P CB 0.052 31.590 31.700 -0.271 0.000 0.767 3365 F N -2.920 117.068 119.950 0.063 0.000 2.735 3365 F HA 0.207 4.720 4.527 -0.022 0.000 0.308 3365 F C 0.414 176.180 175.800 -0.058 0.000 1.112 3365 F CA -0.098 57.962 58.000 0.100 0.000 1.235 3365 F CB -0.280 38.779 39.000 0.098 0.000 1.027 3365 F HN -0.365 nan 8.300 nan 0.000 0.528 3366 T N 1.200 115.837 114.554 0.139 0.000 3.145 3366 T HA 0.247 4.583 4.350 -0.022 0.000 0.362 3366 T C -0.104 174.637 174.700 0.069 0.000 1.340 3366 T CA -0.397 61.736 62.100 0.056 0.000 1.069 3366 T CB -0.317 68.598 68.868 0.079 0.000 1.129 3366 T HN -0.013 nan 8.240 nan 0.000 0.585 3367 H N 0.889 119.767 119.070 -0.318 0.000 2.597 3367 H HA 0.376 4.919 4.556 -0.022 0.000 0.370 3367 H C 0.732 176.028 175.328 -0.053 0.000 1.281 3367 H CA -1.181 54.658 56.048 -0.348 0.000 1.422 3367 H CB 0.191 29.447 29.762 -0.842 0.000 1.524 3367 H HN 0.396 nan 8.280 nan 0.000 0.607 3368 S N 0.131 115.916 115.700 0.142 0.000 2.531 3368 S HA 0.399 4.856 4.470 -0.022 0.000 0.279 3368 S C 0.497 175.249 174.600 0.252 0.000 1.305 3368 S CA -0.565 57.725 58.200 0.150 0.000 1.058 3368 S CB 0.479 63.733 63.200 0.091 0.000 0.899 3368 S HN 0.847 nan 8.310 nan 0.000 0.493 3369 A N 4.571 127.518 122.820 0.212 0.000 2.608 3369 A HA 0.295 4.601 4.320 -0.022 0.000 0.239 3369 A C -1.750 175.948 177.584 0.189 0.000 1.018 3369 A CA -0.468 51.695 52.037 0.211 0.000 0.766 3369 A CB -0.798 18.279 19.000 0.130 0.000 0.928 3369 A HN 0.646 nan 8.150 nan 0.000 0.512 3370 P HA 0.294 nan 4.420 nan 0.000 0.290 3370 P C 0.646 177.974 177.300 0.047 0.000 1.275 3370 P CA -0.519 62.645 63.100 0.105 0.000 0.841 3370 P CB 1.308 33.031 31.700 0.039 0.000 1.042 3371 E N 2.174 122.396 120.200 0.036 0.000 2.330 3371 E HA -0.225 4.111 4.350 -0.022 0.000 0.239 3371 E C -0.149 176.456 176.600 0.009 0.000 1.097 3371 E CA 1.985 58.396 56.400 0.019 0.000 1.031 3371 E CB -0.884 28.820 29.700 0.007 0.000 0.885 3371 E HN 0.529 nan 8.360 nan 0.000 0.479 3372 S N -0.126 115.568 115.700 -0.010 0.000 2.474 3372 S HA 0.486 4.942 4.470 -0.022 0.000 0.321 3372 S C -0.247 174.340 174.600 -0.022 0.000 1.080 3372 S CA -0.755 57.435 58.200 -0.017 0.000 1.106 3372 S CB 1.329 64.508 63.200 -0.034 0.000 0.984 3372 S HN 0.112 nan 8.310 nan 0.000 0.464 3373 I N 5.622 126.197 120.570 0.008 0.000 2.278 3373 I HA 0.263 4.419 4.170 -0.022 0.000 0.296 3373 I C -1.715 174.423 176.117 0.035 0.000 1.121 3373 I CA -2.231 59.087 61.300 0.030 0.000 1.267 3373 I CB -0.335 37.700 38.000 0.059 0.000 1.447 3373 I HN 0.410 nan 8.210 nan 0.000 0.509 3374 P HA 0.003 nan 4.420 nan 0.000 0.271 3374 P C 0.238 177.601 177.300 0.106 0.000 1.233 3374 P CA 0.095 63.201 63.100 0.010 0.000 0.795 3374 P CB 1.028 32.677 31.700 -0.085 0.000 0.936 3375 D N -1.081 119.368 120.400 0.083 0.000 2.463 3375 D HA -0.000 4.626 4.640 -0.022 0.000 0.237 3375 D C -0.106 176.317 176.300 0.205 0.000 1.013 3375 D CA 0.767 54.855 54.000 0.146 0.000 0.910 3375 D CB 0.035 40.887 40.800 0.087 0.000 1.080 3375 D HN 0.277 nan 8.370 nan 0.000 0.498 3376 T N 0.147 114.736 114.554 0.058 0.000 2.932 3376 T HA 0.242 4.578 4.350 -0.022 0.000 0.289 3376 T C 0.246 174.747 174.700 -0.332 0.000 1.039 3376 T CA -0.639 61.460 62.100 -0.003 0.000 1.024 3376 T CB 1.831 70.705 68.868 0.011 0.000 1.090 3376 T HN -0.092 nan 8.240 nan 0.000 0.496 3377 F N 2.147 121.745 119.950 -0.588 0.000 2.095 3377 F HA -0.157 4.357 4.527 -0.022 0.000 0.298 3377 F C 2.344 177.888 175.800 -0.427 0.000 1.104 3377 F CA 2.191 59.723 58.000 -0.781 0.000 1.232 3377 F CB -0.228 38.534 39.000 -0.397 0.000 0.987 3377 F HN 0.849 nan 8.300 nan 0.000 0.475 3378 E N -0.383 119.676 120.200 -0.236 0.000 2.058 3378 E HA -0.266 4.071 4.350 -0.022 0.000 0.194 3378 E C 1.712 178.119 176.600 -0.321 0.000 0.997 3378 E CA 1.768 58.014 56.400 -0.257 0.000 0.801 3378 E CB -0.882 28.755 29.700 -0.105 0.000 0.746 3378 E HN 0.338 nan 8.360 nan 0.000 0.450 3379 D N 1.373 121.619 120.400 -0.257 0.000 2.123 3379 D HA -0.168 4.458 4.640 -0.022 0.000 0.196 3379 D C 2.036 178.155 176.300 -0.302 0.000 0.992 3379 D CA 1.927 55.795 54.000 -0.220 0.000 0.833 3379 D CB -0.482 40.234 40.800 -0.139 0.000 0.954 3379 D HN 0.402 nan 8.370 nan 0.000 0.455 3380 A N 0.515 123.068 122.820 -0.445 0.000 1.873 3380 A HA -0.118 4.188 4.320 -0.022 0.000 0.215 3380 A C 2.486 179.739 177.584 -0.551 0.000 1.186 3380 A CA 1.088 52.827 52.037 -0.498 0.000 0.616 3380 A CB -0.887 17.726 19.000 -0.645 0.000 0.823 3380 A HN 0.125 nan 8.150 nan 0.000 0.442 3381 V N 1.650 121.130 119.914 -0.723 0.000 2.357 3381 V HA -0.360 3.747 4.120 -0.022 0.000 0.257 3381 V C 2.094 177.951 176.094 -0.394 0.000 1.082 3381 V CA 2.382 64.300 62.300 -0.636 0.000 1.078 3381 V CB -0.872 30.570 31.823 -0.635 0.000 0.663 3381 V HN 0.712 nan 8.190 nan 0.000 0.455 3382 N N -0.675 117.828 118.700 -0.329 0.000 2.402 3382 N HA 0.098 4.824 4.740 -0.022 0.000 0.174 3382 N C 1.769 177.148 175.510 -0.218 0.000 1.027 3382 N CA 0.926 53.837 53.050 -0.232 0.000 0.891 3382 N CB -0.021 38.355 38.487 -0.185 0.000 1.016 3382 N HN 0.392 nan 8.380 nan 0.000 0.439 3383 I N 0.684 121.103 120.570 -0.252 0.000 2.361 3383 I HA -0.143 4.014 4.170 -0.022 0.000 0.251 3383 I C 1.428 177.379 176.117 -0.277 0.000 1.133 3383 I CA 1.034 62.193 61.300 -0.234 0.000 1.413 3383 I CB -0.024 37.833 38.000 -0.240 0.000 1.073 3383 I HN 0.053 nan 8.210 nan 0.000 0.424 3384 L N 0.085 121.091 121.223 -0.361 0.000 2.425 3384 L HA 0.145 4.471 4.340 -0.022 0.000 0.215 3384 L C 0.490 177.228 176.870 -0.220 0.000 1.065 3384 L CA 0.708 55.319 54.840 -0.382 0.000 0.842 3384 L CB -0.644 41.024 42.059 -0.651 0.000 1.033 3384 L HN 0.128 nan 8.230 nan 0.000 0.474 3385 K N 0.226 120.492 120.400 -0.224 0.000 4.823 3385 K HA -0.106 4.201 4.320 -0.022 0.000 0.357 3385 K C -2.496 174.031 176.600 -0.122 0.000 1.055 3385 K CA 0.085 56.276 56.287 -0.160 0.000 1.110 3385 K CB -1.015 31.420 32.500 -0.109 0.000 1.617 3385 K HN 0.170 nan 8.250 nan 0.000 0.424 3386 P HA 0.173 nan 4.420 nan 0.000 0.284 3386 P C 0.173 177.423 177.300 -0.083 0.000 1.258 3386 P CA -0.573 62.469 63.100 -0.097 0.000 0.824 3386 P CB 1.733 33.360 31.700 -0.121 0.000 1.038 3387 S N 0.339 116.012 115.700 -0.045 0.000 2.414 3387 S HA 0.033 4.490 4.470 -0.022 0.000 0.227 3387 S C 0.821 175.371 174.600 -0.083 0.000 1.022 3387 S CA 0.770 58.950 58.200 -0.034 0.000 0.958 3387 S CB -0.729 62.498 63.200 0.045 0.000 0.797 3387 S HN 0.554 nan 8.310 nan 0.000 0.493 3388 T N 1.477 115.960 114.554 -0.118 0.000 2.940 3388 T HA 0.778 5.114 4.350 -0.022 0.000 0.288 3388 T C -1.103 173.525 174.700 -0.120 0.000 1.045 3388 T CA -0.529 61.475 62.100 -0.161 0.000 1.018 3388 T CB 1.745 70.456 68.868 -0.263 0.000 1.151 3388 T HN 0.128 nan 8.240 nan 0.000 0.529 3389 I N 0.528 121.058 120.570 -0.067 0.000 2.841 3389 I HA 0.611 4.767 4.170 -0.022 0.000 0.298 3389 I C -1.962 174.322 176.117 0.278 0.000 1.304 3389 I CA -0.994 60.371 61.300 0.109 0.000 1.019 3389 I CB 1.952 39.972 38.000 0.034 0.000 1.282 3389 I HN 0.666 nan 8.210 nan 0.000 0.432 3390 I N 5.394 126.239 120.570 0.459 0.000 2.563 3390 I HA 0.421 4.578 4.170 -0.022 0.000 0.285 3390 I C 0.163 176.491 176.117 0.351 0.000 1.123 3390 I CA -0.586 60.991 61.300 0.461 0.000 1.059 3390 I CB 2.080 40.376 38.000 0.493 0.000 1.229 3390 I HN 0.703 nan 8.210 nan 0.000 0.442 3391 G N 5.490 114.287 108.800 -0.004 0.000 2.428 3391 G HA2 0.421 4.368 3.960 -0.022 0.000 0.293 3391 G HA3 0.421 4.368 3.960 -0.022 0.000 0.293 3391 G C -0.201 174.618 174.900 -0.135 0.000 1.059 3391 G CA 0.039 44.937 45.100 -0.336 0.000 1.194 3391 G HN 0.402 nan 8.290 nan 0.000 0.435 3392 V N 2.337 122.192 119.914 -0.099 0.000 2.546 3392 V HA 0.473 4.579 4.120 -0.022 0.000 0.260 3392 V C 0.613 176.638 176.094 -0.115 0.000 0.933 3392 V CA 0.274 62.512 62.300 -0.105 0.000 0.994 3392 V CB 0.398 32.133 31.823 -0.146 0.000 1.160 3392 V HN 0.928 nan 8.190 nan 0.000 0.523 3393 A N 0.636 123.383 122.820 -0.122 0.000 2.295 3393 A HA 0.589 4.896 4.320 -0.022 0.000 0.193 3393 A C 1.824 179.350 177.584 -0.097 0.000 1.512 3393 A CA 0.872 52.844 52.037 -0.107 0.000 1.103 3393 A CB 0.306 19.241 19.000 -0.110 0.000 1.331 3393 A HN 1.564 nan 8.150 nan 0.000 0.501 3394 G N -0.321 108.418 108.800 -0.102 0.000 2.196 3394 G HA2 -0.178 3.768 3.960 -0.022 0.000 0.268 3394 G HA3 -0.178 3.768 3.960 -0.022 0.000 0.268 3394 G C 1.346 176.205 174.900 -0.069 0.000 0.975 3394 G CA 1.433 46.485 45.100 -0.081 0.000 0.648 3394 G HN 1.649 nan 8.290 nan 0.000 0.538 3395 A N -0.566 122.209 122.820 -0.075 0.000 2.131 3395 A HA 0.470 4.777 4.320 -0.022 0.000 0.220 3395 A C 2.509 180.067 177.584 -0.043 0.000 1.158 3395 A CA 2.303 54.307 52.037 -0.055 0.000 0.665 3395 A CB -0.375 18.595 19.000 -0.051 0.000 0.795 3395 A HN 2.702 nan 8.150 nan 0.000 0.460 3396 G N -1.714 107.053 108.800 -0.055 0.000 2.341 3396 G HA2 -0.012 3.934 3.960 -0.022 0.000 0.196 3396 G HA3 -0.012 3.934 3.960 -0.022 0.000 0.196 3396 G C -0.585 174.290 174.900 -0.041 0.000 1.231 3396 G CA -0.415 44.665 45.100 -0.033 0.000 1.155 3396 G HN 0.369 nan 8.290 nan 0.000 0.529 3397 R N 0.314 120.811 120.500 -0.004 0.000 2.435 3397 R HA 0.491 4.818 4.340 -0.022 0.000 0.325 3397 R C 0.544 176.864 176.300 0.034 0.000 1.149 3397 R CA 0.151 56.261 56.100 0.016 0.000 0.995 3397 R CB -0.266 30.057 30.300 0.039 0.000 1.008 3397 R HN 0.336 nan 8.270 nan 0.000 0.470 3398 L N 2.731 123.966 121.223 0.019 0.000 3.122 3398 L HA 0.318 4.645 4.340 -0.022 0.000 0.274 3398 L C -0.545 176.530 176.870 0.342 0.000 1.222 3398 L CA 0.353 55.241 54.840 0.079 0.000 1.028 3398 L CB 0.291 42.323 42.059 -0.045 0.000 1.386 3398 L HN 0.493 nan 8.230 nan 0.000 0.578 3399 F N 0.596 120.549 119.950 0.005 0.000 2.564 3399 F HA 0.262 4.775 4.527 -0.022 0.000 0.368 3399 F C 0.893 176.712 175.800 0.031 0.000 1.127 3399 F CA -0.980 57.047 58.000 0.044 0.000 1.170 3399 F CB 1.224 40.254 39.000 0.050 0.000 1.397 3399 F HN -0.048 nan 8.300 nan 0.000 0.493 3400 T N 0.295 114.961 114.554 0.186 0.000 2.899 3400 T HA 0.163 4.500 4.350 -0.022 0.000 0.295 3400 T C -1.371 173.357 174.700 0.047 0.000 1.033 3400 T CA -1.768 60.389 62.100 0.095 0.000 1.084 3400 T CB 1.484 70.394 68.868 0.071 0.000 0.979 3400 T HN 0.214 nan 8.240 nan 0.000 0.532 3401 P HA -0.125 nan 4.420 nan 0.000 0.219 3401 P C 0.526 177.817 177.300 -0.015 0.000 1.144 3401 P CA 1.189 64.290 63.100 0.000 0.000 0.806 3401 P CB 0.101 31.802 31.700 0.001 0.000 0.771 3402 D N -0.340 120.054 120.400 -0.011 0.000 2.107 3402 D HA -0.086 4.541 4.640 -0.022 0.000 0.204 3402 D C 2.240 178.506 176.300 -0.056 0.000 0.978 3402 D CA 0.677 54.659 54.000 -0.029 0.000 0.852 3402 D CB -1.276 39.511 40.800 -0.021 0.000 1.008 3402 D HN -0.065 nan 8.370 nan 0.000 0.458 3403 V N 1.868 121.755 119.914 -0.046 0.000 2.313 3403 V HA -0.283 3.824 4.120 -0.022 0.000 0.253 3403 V C 2.413 178.410 176.094 -0.162 0.000 1.070 3403 V CA 1.332 63.572 62.300 -0.099 0.000 1.057 3403 V CB -0.507 31.300 31.823 -0.027 0.000 0.653 3403 V HN 0.213 nan 8.190 nan 0.000 0.450 3404 I N 0.442 120.946 120.570 -0.110 0.000 2.054 3404 I HA -0.283 3.873 4.170 -0.022 0.000 0.231 3404 I C 2.831 178.891 176.117 -0.096 0.000 1.052 3404 I CA 2.263 63.500 61.300 -0.106 0.000 1.320 3404 I CB -1.006 36.959 38.000 -0.058 0.000 1.063 3404 I HN 0.379 nan 8.210 nan 0.000 0.393 3405 R N 2.336 122.795 120.500 -0.068 0.000 2.159 3405 R HA -0.195 4.132 4.340 -0.022 0.000 0.249 3405 R C 1.516 177.773 176.300 -0.072 0.000 1.136 3405 R CA 1.537 57.602 56.100 -0.058 0.000 0.951 3405 R CB -1.345 28.928 30.300 -0.044 0.000 0.876 3405 R HN 0.352 nan 8.270 nan 0.000 0.440 3409 S N 0.503 116.170 115.700 -0.056 0.000 2.355 3409 S HA 0.077 4.534 4.470 -0.022 0.000 0.216 3409 S C 1.727 176.296 174.600 -0.051 0.000 1.037 3409 S CA 1.385 59.557 58.200 -0.048 0.000 0.955 3409 S CB -0.479 62.691 63.200 -0.050 0.000 0.877 3409 S HN 0.466 nan 8.310 nan 0.000 0.488 3410 I N 2.312 122.842 120.570 -0.067 0.000 2.315 3410 I HA -0.158 3.999 4.170 -0.022 0.000 0.251 3410 I C 0.482 176.567 176.117 -0.054 0.000 1.125 3410 I CA 0.900 62.159 61.300 -0.068 0.000 1.392 3410 I CB -0.421 37.523 38.000 -0.092 0.000 1.065 3410 I HN 0.234 nan 8.210 nan 0.000 0.424 3411 N N 0.566 119.234 118.700 -0.053 0.000 2.319 3411 N HA 0.147 4.873 4.740 -0.022 0.000 0.305 3411 N C 0.430 175.923 175.510 -0.028 0.000 1.103 3411 N CA -0.375 52.653 53.050 -0.038 0.000 0.815 3411 N CB 2.099 40.560 38.487 -0.042 0.000 1.288 3411 N HN -0.053 nan 8.380 nan 0.000 0.493 3412 E N 0.671 120.861 120.200 -0.017 0.000 2.447 3412 E HA 0.099 4.436 4.350 -0.022 0.000 0.195 3412 E C -0.301 176.296 176.600 -0.006 0.000 1.028 3412 E CA 0.694 57.088 56.400 -0.010 0.000 0.876 3412 E CB 0.427 30.124 29.700 -0.005 0.000 0.885 3412 E HN 0.338 nan 8.360 nan 0.000 0.500 3413 R N 0.923 121.419 120.500 -0.007 0.000 2.734 3413 R HA 0.209 4.536 4.340 -0.022 0.000 0.242 3413 R C -2.716 173.578 176.300 -0.010 0.000 1.617 3413 R CA -1.453 54.645 56.100 -0.003 0.000 1.572 3413 R CB 1.231 31.536 30.300 0.008 0.000 1.477 3413 R HN 0.083 nan 8.270 nan 0.000 0.707 3414 P HA 0.089 nan 4.420 nan 0.000 0.271 3414 P C -0.026 177.263 177.300 -0.019 0.000 1.218 3414 P CA -0.108 62.972 63.100 -0.034 0.000 0.780 3414 P CB 1.134 32.804 31.700 -0.049 0.000 0.901 3415 V N 3.547 123.432 119.914 -0.048 0.000 2.384 3415 V HA 0.550 4.657 4.120 -0.022 0.000 0.287 3415 V C 0.329 176.403 176.094 -0.033 0.000 1.020 3415 V CA -0.725 61.542 62.300 -0.055 0.000 0.850 3415 V CB 1.238 32.949 31.823 -0.186 0.000 0.987 3415 V HN 0.470 nan 8.190 nan 0.000 0.436 3416 I N 1.545 122.202 120.570 0.145 0.000 2.512 3416 I HA 0.650 4.807 4.170 -0.022 0.000 0.287 3416 I C -2.094 174.381 176.117 0.597 0.000 1.069 3416 I CA -0.742 60.747 61.300 0.315 0.000 1.056 3416 I CB 1.944 40.143 38.000 0.331 0.000 1.229 3416 I HN 0.396 nan 8.210 nan 0.000 0.429 3417 F N 5.283 125.323 119.950 0.150 0.000 2.434 3417 F HA 0.679 5.192 4.527 -0.022 0.000 0.355 3417 F C 0.527 176.319 175.800 -0.014 0.000 1.115 3417 F CA -1.560 56.433 58.000 -0.012 0.000 1.010 3417 F CB 1.990 41.015 39.000 0.043 0.000 1.234 3417 F HN 0.710 nan 8.300 nan 0.000 0.439 3418 A N 4.707 127.531 122.820 0.007 0.000 2.880 3418 A HA 0.453 4.759 4.320 -0.022 0.000 0.328 3418 A C 0.859 178.389 177.584 -0.089 0.000 1.440 3418 A CA -0.259 51.685 52.037 -0.153 0.000 1.068 3418 A CB -0.242 18.657 19.000 -0.168 0.000 1.163 3418 A HN 0.588 nan 8.150 nan 0.000 0.510 3419 L N 0.832 122.029 121.223 -0.043 0.000 2.141 3419 L HA -0.018 4.309 4.340 -0.022 0.000 0.209 3419 L C 1.516 178.363 176.870 -0.037 0.000 1.094 3419 L CA 0.958 55.781 54.840 -0.029 0.000 0.763 3419 L CB -1.784 40.280 42.059 0.008 0.000 0.908 3419 L HN 0.537 nan 8.230 nan 0.000 0.437 3420 S N 1.218 116.878 115.700 -0.067 0.000 2.930 3420 S HA -0.083 4.373 4.470 -0.022 0.000 0.351 3420 S C 0.548 175.131 174.600 -0.029 0.000 1.210 3420 S CA 0.501 58.663 58.200 -0.064 0.000 0.993 3420 S CB -0.043 63.100 63.200 -0.095 0.000 0.682 3420 S HN 0.408 nan 8.310 nan 0.000 0.484 3421 N N 2.223 120.899 118.700 -0.039 0.000 2.610 3421 N HA 0.416 5.142 4.740 -0.022 0.000 0.264 3421 N C -2.196 173.285 175.510 -0.048 0.000 1.348 3421 N CA -1.338 51.688 53.050 -0.039 0.000 0.819 3421 N CB 1.445 39.900 38.487 -0.054 0.000 1.521 3421 N HN 0.245 nan 8.380 nan 0.000 0.497 3422 P HA -0.063 nan 4.420 nan 0.000 0.213 3422 P C 0.357 177.633 177.300 -0.041 0.000 1.149 3422 P CA 1.540 64.605 63.100 -0.058 0.000 0.829 3422 P CB -0.103 31.561 31.700 -0.060 0.000 0.548 3423 T N -2.288 112.244 114.554 -0.038 0.000 3.145 3423 T HA 0.465 4.802 4.350 -0.022 0.000 0.281 3423 T C 0.958 175.683 174.700 0.041 0.000 1.003 3423 T CA 0.321 62.412 62.100 -0.015 0.000 0.901 3423 T CB 0.093 68.894 68.868 -0.111 0.000 1.112 3423 T HN 0.346 nan 8.240 nan 0.000 0.535 3424 A N 0.304 123.136 122.820 0.020 0.000 2.571 3424 A HA 0.425 4.732 4.320 -0.022 0.000 0.274 3424 A C 1.576 179.169 177.584 0.014 0.000 1.196 3424 A CA -0.119 51.933 52.037 0.025 0.000 0.957 3424 A CB 0.282 19.285 19.000 0.005 0.000 1.150 3424 A HN 0.119 nan 8.150 nan 0.000 0.539 3425 Q N -0.478 119.329 119.800 0.011 0.000 2.391 3425 Q HA 0.407 4.734 4.340 -0.022 0.000 0.243 3425 Q C 0.910 176.899 176.000 -0.018 0.000 0.874 3425 Q CA 0.659 56.453 55.803 -0.015 0.000 0.950 3425 Q CB -0.021 28.698 28.738 -0.032 0.000 1.103 3425 Q HN 0.533 nan 8.270 nan 0.000 0.544 3426 A N 1.475 124.318 122.820 0.038 0.000 2.580 3426 A HA -0.058 4.248 4.320 -0.022 0.000 0.244 3426 A C 0.795 178.364 177.584 -0.024 0.000 1.045 3426 A CA 0.177 52.247 52.037 0.055 0.000 0.761 3426 A CB 0.198 19.346 19.000 0.248 0.000 0.962 3426 A HN 0.155 nan 8.150 nan 0.000 0.512 3427 E N 0.896 120.993 120.200 -0.172 0.000 2.097 3427 E HA -0.137 4.200 4.350 -0.022 0.000 0.196 3427 E C 1.072 177.638 176.600 -0.057 0.000 1.000 3427 E CA 1.930 58.156 56.400 -0.291 0.000 0.804 3427 E CB -0.346 28.755 29.700 -0.999 0.000 0.740 3427 E HN 0.955 nan 8.360 nan 0.000 0.454 3428 C N -2.954 116.358 119.300 0.020 0.000 3.221 3428 C HA 0.815 5.261 4.460 -0.022 0.000 0.371 3428 C C -0.277 174.674 174.990 -0.065 0.000 2.951 3428 C CA -0.101 58.953 59.018 0.060 0.000 1.273 3428 C CB 1.356 29.201 27.740 0.174 0.000 3.371 3428 C HN 0.294 nan 8.230 nan 0.000 0.457 3429 T N -1.960 112.435 114.554 -0.265 0.000 2.903 3429 T HA 0.671 5.008 4.350 -0.022 0.000 0.299 3429 T C 0.501 174.585 174.700 -1.027 0.000 1.093 3429 T CA 0.277 61.995 62.100 -0.636 0.000 1.002 3429 T CB 1.468 70.129 68.868 -0.343 0.000 1.127 3429 T HN 2.083 nan 8.240 nan 0.000 0.488 3430 A N 0.567 122.566 122.820 -1.369 0.000 2.248 3430 A HA 0.135 4.441 4.320 -0.022 0.000 0.210 3430 A C 1.849 179.095 177.584 -0.564 0.000 1.174 3430 A CA 1.420 52.615 52.037 -1.404 0.000 0.750 3430 A CB -0.925 17.776 19.000 -0.498 0.000 0.780 3430 A HN 0.933 nan 8.150 nan 0.000 0.478 3431 E N 0.439 120.398 120.200 -0.402 0.000 2.065 3431 E HA -0.045 4.292 4.350 -0.022 0.000 0.191 3431 E C 1.768 178.275 176.600 -0.156 0.000 0.960 3431 E CA 1.219 57.535 56.400 -0.140 0.000 0.824 3431 E CB -0.164 29.491 29.700 -0.076 0.000 0.793 3431 E HN 0.658 nan 8.360 nan 0.000 0.459 3432 E N 1.003 121.075 120.200 -0.212 0.000 1.997 3432 E HA -0.247 4.089 4.350 -0.022 0.000 0.201 3432 E C 2.110 178.577 176.600 -0.222 0.000 1.011 3432 E CA 1.013 57.317 56.400 -0.160 0.000 0.847 3432 E CB -0.562 29.058 29.700 -0.133 0.000 0.787 3432 E HN 0.311 nan 8.360 nan 0.000 0.472 3433 A N 1.115 123.701 122.820 -0.391 0.000 1.865 3433 A HA -0.338 3.969 4.320 -0.022 0.000 0.244 3433 A C 2.126 179.496 177.584 -0.357 0.000 1.984 3433 A CA 2.619 54.365 52.037 -0.486 0.000 0.785 3433 A CB -1.723 16.615 19.000 -1.104 0.000 0.849 3433 A HN 0.465 nan 8.150 nan 0.000 0.501 3434 Y N -0.061 120.112 120.300 -0.212 0.000 2.109 3434 Y HA -0.198 4.339 4.550 -0.023 0.000 0.285 3434 Y C 3.325 179.210 175.900 -0.026 0.000 1.131 3434 Y CA 1.961 60.000 58.100 -0.102 0.000 1.121 3434 Y CB -0.885 37.597 38.460 0.037 0.000 0.987 3434 Y HN 0.614 nan 8.280 nan 0.000 0.495 3435 T N -0.828 113.813 114.554 0.146 0.000 2.685 3435 T HA -0.220 4.117 4.350 -0.022 0.000 0.268 3435 T C 1.197 175.924 174.700 0.045 0.000 1.034 3435 T CA 1.337 63.492 62.100 0.091 0.000 1.149 3435 T CB -0.704 68.194 68.868 0.050 0.000 0.860 3435 T HN 0.095 nan 8.240 nan 0.000 0.449 3436 L N 2.388 123.613 121.223 0.004 0.000 2.715 3436 L HA 0.368 4.695 4.340 -0.022 0.000 0.238 3436 L C 1.625 178.485 176.870 -0.016 0.000 1.212 3436 L CA 0.788 55.620 54.840 -0.013 0.000 1.017 3436 L CB -0.357 41.681 42.059 -0.036 0.000 1.269 3436 L HN 0.722 nan 8.230 nan 0.000 0.452 3437 T N -7.110 107.449 114.554 0.008 0.000 3.191 3437 T HA 0.126 4.462 4.350 -0.022 0.000 0.285 3437 T C 0.450 175.169 174.700 0.032 0.000 0.887 3437 T CA -0.162 61.940 62.100 0.003 0.000 0.881 3437 T CB 0.358 69.218 68.868 -0.013 0.000 1.217 3437 T HN 0.006 nan 8.240 nan 0.000 0.591 3438 E N 0.973 121.212 120.200 0.065 0.000 2.759 3438 E HA -0.156 4.180 4.350 -0.022 0.000 0.280 3438 E C 0.930 177.618 176.600 0.146 0.000 1.009 3438 E CA 0.919 57.376 56.400 0.095 0.000 0.849 3438 E CB -2.137 27.600 29.700 0.063 0.000 1.415 3438 E HN 1.433 nan 8.360 nan 0.000 0.412 3439 G N 0.514 109.405 108.800 0.152 0.000 2.246 3439 G HA2 -0.387 3.559 3.960 -0.022 0.000 0.273 3439 G HA3 -0.387 3.559 3.960 -0.022 0.000 0.273 3439 G C 0.637 175.451 174.900 -0.142 0.000 1.055 3439 G CA 0.683 45.787 45.100 0.006 0.000 0.851 3439 G HN 0.356 nan 8.290 nan 0.000 0.500 3440 R N -0.944 119.533 120.500 -0.038 0.000 2.397 3440 R HA 0.270 4.597 4.340 -0.022 0.000 0.241 3440 R C 1.904 178.182 176.300 -0.036 0.000 0.914 3440 R CA 0.590 56.669 56.100 -0.034 0.000 1.071 3440 R CB -0.104 30.195 30.300 -0.001 0.000 1.116 3440 R HN 0.768 nan 8.270 nan 0.000 0.524 3441 C N -0.826 118.455 119.300 -0.031 0.000 2.345 3441 C HA 0.666 5.113 4.460 -0.022 0.000 0.369 3441 C C -0.032 174.983 174.990 0.041 0.000 1.273 3441 C CA -1.270 57.745 59.018 -0.005 0.000 2.310 3441 C CB 0.235 27.960 27.740 -0.026 0.000 2.219 3441 C HN 0.101 nan 8.230 nan 0.000 0.587 3442 L N 1.375 122.654 121.223 0.094 0.000 2.345 3442 L HA 0.465 4.792 4.340 -0.022 0.000 0.274 3442 L C -0.324 176.711 176.870 0.275 0.000 0.999 3442 L CA 0.077 55.021 54.840 0.174 0.000 0.849 3442 L CB 0.684 42.824 42.059 0.133 0.000 1.220 3442 L HN 0.713 nan 8.230 nan 0.000 0.422 3443 F N 3.015 122.992 119.950 0.044 0.000 2.378 3443 F HA 0.831 5.344 4.527 -0.022 0.000 0.325 3443 F C 0.129 175.908 175.800 -0.035 0.000 1.097 3443 F CA -0.596 57.372 58.000 -0.054 0.000 1.079 3443 F CB 1.588 40.286 39.000 -0.503 0.000 1.240 3443 F HN 0.469 nan 8.300 nan 0.000 0.519 3444 A N 2.816 124.876 122.820 -1.268 0.000 2.508 3444 A HA 0.513 4.819 4.320 -0.022 0.000 0.297 3444 A C -1.376 175.571 177.584 -1.061 0.000 1.036 3444 A CA -0.394 50.988 52.037 -1.091 0.000 0.957 3444 A CB -0.004 18.029 19.000 -1.613 0.000 1.428 3444 A HN 0.888 nan 8.150 nan 0.000 0.393 3445 S N 0.914 116.196 115.700 -0.697 0.000 2.537 3445 S HA 0.686 5.142 4.470 -0.022 0.000 0.301 3445 S C 1.167 175.732 174.600 -0.058 0.000 1.092 3445 S CA -0.112 57.929 58.200 -0.266 0.000 1.048 3445 S CB 1.781 65.083 63.200 0.169 0.000 1.053 3445 S HN 1.692 nan 8.310 nan 0.000 0.501 3446 G N 1.412 110.199 108.800 -0.021 0.000 2.422 3446 G HA2 0.037 3.983 3.960 -0.022 0.000 0.218 3446 G HA3 0.037 3.983 3.960 -0.022 0.000 0.218 3446 G C 0.476 175.378 174.900 0.003 0.000 1.140 3446 G CA 0.344 45.430 45.100 -0.024 0.000 0.775 3446 G HN 0.715 nan 8.290 nan 0.000 0.545 3447 S N 1.074 116.815 115.700 0.068 0.000 2.655 3447 S HA 0.517 4.974 4.470 -0.022 0.000 0.265 3447 S C -2.620 171.965 174.600 -0.025 0.000 1.240 3447 S CA -1.140 57.048 58.200 -0.019 0.000 0.986 3447 S CB 1.704 64.868 63.200 -0.060 0.000 0.985 3447 S HN 0.132 nan 8.310 nan 0.000 0.562 3448 P HA 0.586 nan 4.420 nan 0.000 0.298 3448 P C -1.533 175.557 177.300 -0.350 0.000 1.314 3448 P CA -0.502 62.525 63.100 -0.122 0.000 0.854 3448 P CB 0.425 32.063 31.700 -0.103 0.000 1.019 3449 F N 0.575 120.606 119.950 0.135 0.000 2.561 3449 F HA 0.482 4.996 4.527 -0.022 0.000 0.313 3449 F C 1.039 176.929 175.800 0.150 0.000 1.126 3449 F CA -0.520 57.573 58.000 0.155 0.000 0.918 3449 F CB 2.111 41.253 39.000 0.236 0.000 1.199 3449 F HN 0.309 nan 8.300 nan 0.000 0.444 3450 G N 3.415 112.389 108.800 0.289 0.000 2.398 3450 G HA2 0.409 4.356 3.960 -0.022 0.000 0.246 3450 G HA3 0.409 4.356 3.960 -0.022 0.000 0.246 3450 G C -2.474 172.560 174.900 0.223 0.000 1.289 3450 G CA -1.032 44.189 45.100 0.203 0.000 0.869 3450 G HN 0.304 nan 8.290 nan 0.000 0.543 3451 P HA 0.029 nan 4.420 nan 0.000 0.269 3451 P C -0.344 177.030 177.300 0.124 0.000 1.200 3451 P CA -0.124 63.066 63.100 0.150 0.000 0.779 3451 P CB 0.692 32.444 31.700 0.085 0.000 0.841 3452 V N 2.728 122.702 119.914 0.099 0.000 2.540 3452 V HA 0.326 4.433 4.120 -0.022 0.000 0.302 3452 V C 0.324 176.393 176.094 -0.041 0.000 1.035 3452 V CA -0.566 61.778 62.300 0.074 0.000 0.873 3452 V CB 1.905 33.840 31.823 0.187 0.000 0.992 3452 V HN 0.455 nan 8.190 nan 0.000 0.428 3453 K N 5.312 125.694 120.400 -0.032 0.000 2.339 3453 K HA 0.558 4.865 4.320 -0.022 0.000 0.264 3453 K C -0.868 175.703 176.600 -0.048 0.000 0.986 3453 K CA -0.390 55.849 56.287 -0.080 0.000 0.866 3453 K CB 1.200 33.667 32.500 -0.055 0.000 1.103 3453 K HN 0.570 nan 8.250 nan 0.000 0.441 3454 L N 1.567 122.745 121.223 -0.076 0.000 2.479 3454 L HA 0.183 4.510 4.340 -0.022 0.000 0.249 3454 L C 2.258 179.116 176.870 -0.020 0.000 1.178 3454 L CA -0.162 54.666 54.840 -0.020 0.000 0.811 3454 L CB 0.446 42.507 42.059 0.003 0.000 1.187 3454 L HN 0.737 nan 8.230 nan 0.000 0.480 3455 T N -2.470 112.086 114.554 0.002 0.000 2.849 3455 T HA -0.177 4.160 4.350 -0.022 0.000 0.270 3455 T C 0.867 175.561 174.700 -0.009 0.000 1.066 3455 T CA 1.886 63.986 62.100 0.000 0.000 1.130 3455 T CB -0.501 68.373 68.868 0.010 0.000 0.864 3455 T HN 0.744 nan 8.240 nan 0.000 0.481 3456 D N -0.091 120.300 120.400 -0.014 0.000 2.339 3456 D HA 0.377 5.003 4.640 -0.022 0.000 0.217 3456 D C 1.691 177.964 176.300 -0.046 0.000 1.050 3456 D CA 0.585 54.571 54.000 -0.022 0.000 0.856 3456 D CB -0.471 40.321 40.800 -0.013 0.000 0.922 3456 D HN 0.548 nan 8.370 nan 0.000 0.518 3457 G N 0.513 109.279 108.800 -0.058 0.000 2.205 3457 G HA2 -0.382 3.565 3.960 -0.022 0.000 0.261 3457 G HA3 -0.382 3.565 3.960 -0.022 0.000 0.261 3457 G C 0.506 175.325 174.900 -0.135 0.000 0.980 3457 G CA -0.194 44.859 45.100 -0.077 0.000 0.632 3457 G HN 0.332 nan 8.290 nan 0.000 0.533 3458 R N -0.157 120.239 120.500 -0.173 0.000 2.697 3458 R HA 0.404 4.730 4.340 -0.022 0.000 0.265 3458 R C 0.391 176.407 176.300 -0.473 0.000 1.009 3458 R CA 1.080 56.981 56.100 -0.332 0.000 1.099 3458 R CB 0.684 30.784 30.300 -0.333 0.000 0.965 3458 R HN 0.702 nan 8.270 nan 0.000 0.428 3459 V N 0.788 120.295 119.914 -0.677 0.000 2.532 3459 V HA 0.442 4.548 4.120 -0.022 0.000 0.294 3459 V C -1.084 174.561 176.094 -0.748 0.000 1.036 3459 V CA -0.995 60.956 62.300 -0.583 0.000 0.876 3459 V CB 1.075 32.731 31.823 -0.278 0.000 1.012 3459 V HN 0.434 nan 8.190 nan 0.000 0.432 3460 F N 1.365 121.141 119.950 -0.290 0.000 2.415 3460 F HA 0.664 5.177 4.527 -0.023 0.000 0.348 3460 F C 0.950 176.644 175.800 -0.178 0.000 1.119 3460 F CA -0.595 57.145 58.000 -0.435 0.000 1.069 3460 F CB 2.082 40.288 39.000 -1.323 0.000 1.124 3460 F HN 0.414 nan 8.300 nan 0.000 0.472 3461 T N 5.849 120.484 114.554 0.135 0.000 2.762 3461 T HA 0.276 4.612 4.350 -0.022 0.000 0.303 3461 T C -2.584 172.304 174.700 0.313 0.000 0.977 3461 T CA -1.421 60.795 62.100 0.194 0.000 0.961 3461 T CB 0.523 69.469 68.868 0.131 0.000 0.944 3461 T HN 0.199 nan 8.240 nan 0.000 0.481 3462 P HA 0.261 nan 4.420 nan 0.000 0.281 3462 P C 0.528 178.046 177.300 0.363 0.000 1.286 3462 P CA -0.248 63.180 63.100 0.547 0.000 0.772 3462 P CB 0.676 32.840 31.700 0.774 0.000 0.862 3463 G N 3.149 112.102 108.800 0.255 0.000 2.684 3463 G HA2 0.219 4.166 3.960 -0.022 0.000 0.255 3463 G HA3 0.219 4.166 3.960 -0.022 0.000 0.255 3463 G C -0.775 174.260 174.900 0.225 0.000 1.219 3463 G CA -0.287 44.964 45.100 0.251 0.000 0.901 3463 G HN 0.630 nan 8.290 nan 0.000 0.548 3464 Q N -0.276 119.672 119.800 0.247 0.000 2.337 3464 Q HA 0.424 4.751 4.340 -0.022 0.000 0.260 3464 Q C 0.072 175.997 176.000 -0.124 0.000 0.982 3464 Q CA -0.775 55.076 55.803 0.081 0.000 0.734 3464 Q CB 1.125 29.923 28.738 0.099 0.000 1.272 3464 Q HN 0.662 nan 8.270 nan 0.000 0.461 3465 G N 3.737 112.253 108.800 -0.473 0.000 3.401 3465 G HA2 -0.026 3.921 3.960 -0.022 0.000 0.251 3465 G HA3 -0.026 3.921 3.960 -0.022 0.000 0.251 3465 G C -0.015 174.730 174.900 -0.257 0.000 0.960 3465 G CA -0.312 44.252 45.100 -0.894 0.000 1.900 3465 G HN 0.507 nan 8.290 nan 0.000 0.645 3466 N N 0.904 119.580 118.700 -0.039 0.000 2.475 3466 N HA 0.015 4.741 4.740 -0.022 0.000 0.267 3466 N C 1.394 176.969 175.510 0.109 0.000 1.169 3466 N CA -0.487 52.572 53.050 0.014 0.000 0.947 3466 N CB 0.672 39.141 38.487 -0.030 0.000 1.061 3466 N HN 0.116 nan 8.380 nan 0.000 0.466 3467 N N 1.962 120.744 118.700 0.136 0.000 2.417 3467 N HA -0.160 4.566 4.740 -0.022 0.000 0.187 3467 N C 1.490 177.232 175.510 0.386 0.000 1.027 3467 N CA 0.340 53.532 53.050 0.238 0.000 0.891 3467 N CB -0.186 38.432 38.487 0.218 0.000 0.956 3467 N HN 0.402 nan 8.380 nan 0.000 0.442 3468 V N 0.111 120.218 119.914 0.321 0.000 2.982 3468 V HA -0.229 3.877 4.120 -0.022 0.000 0.265 3468 V C 1.086 177.049 176.094 -0.219 0.000 1.122 3468 V CA 1.366 63.785 62.300 0.199 0.000 1.143 3468 V CB -0.703 31.160 31.823 0.067 0.000 0.726 3468 V HN 0.286 nan 8.190 nan 0.000 0.507 3469 Y N -1.278 118.973 120.300 -0.082 0.000 2.544 3469 Y HA 0.072 4.608 4.550 -0.022 0.000 0.286 3469 Y C 1.918 177.731 175.900 -0.145 0.000 1.141 3469 Y CA 0.611 58.641 58.100 -0.117 0.000 1.299 3469 Y CB 0.402 38.818 38.460 -0.075 0.000 1.030 3469 Y HN 0.258 nan 8.280 nan 0.000 0.543 3470 I N -1.822 118.751 120.570 0.004 0.000 3.818 3470 I HA -0.093 4.064 4.170 -0.022 0.000 0.242 3470 I C 2.186 178.220 176.117 -0.139 0.000 1.111 3470 I CA 0.413 61.703 61.300 -0.016 0.000 1.576 3470 I CB -1.575 36.501 38.000 0.126 0.000 1.572 3470 I HN 0.155 nan 8.210 nan 0.000 0.450 3471 F N 2.390 122.326 119.950 -0.022 0.000 2.106 3471 F HA -0.166 4.347 4.527 -0.023 0.000 0.299 3471 F C -0.789 174.911 175.800 -0.167 0.000 1.082 3471 F CA 1.326 59.310 58.000 -0.026 0.000 1.244 3471 F CB -2.935 36.084 39.000 0.031 0.000 0.997 3471 F HN 0.098 nan 8.300 nan 0.000 0.486 3472 P HA -0.068 nan 4.420 nan 0.000 0.211 3472 P C 2.052 179.186 177.300 -0.277 0.000 1.179 3472 P CA 2.355 65.050 63.100 -0.675 0.000 0.910 3472 P CB -0.570 30.656 31.700 -0.790 0.000 0.785 3473 G N -0.997 107.656 108.800 -0.246 0.000 2.564 3473 G HA2 -0.149 3.797 3.960 -0.022 0.000 0.216 3473 G HA3 -0.149 3.797 3.960 -0.022 0.000 0.216 3473 G C 1.402 176.242 174.900 -0.099 0.000 1.124 3473 G CA 0.445 45.467 45.100 -0.130 0.000 0.764 3473 G HN 0.186 nan 8.290 nan 0.000 0.550 3474 V N 0.675 120.521 119.914 -0.112 0.000 2.398 3474 V HA 0.137 4.244 4.120 -0.022 0.000 0.236 3474 V C 3.133 179.213 176.094 -0.023 0.000 1.054 3474 V CA 1.429 63.657 62.300 -0.121 0.000 1.060 3474 V CB -0.663 31.027 31.823 -0.221 0.000 0.707 3474 V HN 0.384 nan 8.190 nan 0.000 0.480 3475 A N 0.449 123.333 122.820 0.106 0.000 1.894 3475 A HA -0.319 3.988 4.320 -0.022 0.000 0.220 3475 A C 2.174 179.829 177.584 0.119 0.000 1.237 3475 A CA 2.708 54.891 52.037 0.243 0.000 0.660 3475 A CB -1.026 18.253 19.000 0.465 0.000 0.835 3475 A HN 0.479 nan 8.150 nan 0.000 0.461 3476 L N -0.265 121.001 121.223 0.073 0.000 1.978 3476 L HA -0.217 4.109 4.340 -0.022 0.000 0.218 3476 L C 2.676 179.556 176.870 0.017 0.000 1.075 3476 L CA 2.912 57.770 54.840 0.030 0.000 0.767 3476 L CB -1.258 40.799 42.059 -0.003 0.000 0.890 3476 L HN 0.428 nan 8.230 nan 0.000 0.434 3477 A N -1.398 121.423 122.820 0.002 0.000 1.940 3477 A HA -0.153 4.154 4.320 -0.022 0.000 0.219 3477 A C 2.347 179.925 177.584 -0.011 0.000 1.176 3477 A CA 2.015 54.053 52.037 0.001 0.000 0.631 3477 A CB -1.148 17.840 19.000 -0.020 0.000 0.814 3477 A HN 0.376 nan 8.150 nan 0.000 0.446 3478 V N 0.509 120.415 119.914 -0.014 0.000 2.358 3478 V HA -0.220 3.886 4.120 -0.022 0.000 0.246 3478 V C 2.426 178.515 176.094 -0.008 0.000 1.047 3478 V CA 1.677 63.965 62.300 -0.020 0.000 1.035 3478 V CB -0.484 31.347 31.823 0.013 0.000 0.658 3478 V HN 0.507 nan 8.190 nan 0.000 0.452 3479 I N -0.461 120.117 120.570 0.014 0.000 2.060 3479 I HA -0.252 3.905 4.170 -0.022 0.000 0.233 3479 I C 2.430 178.561 176.117 0.023 0.000 1.054 3479 I CA 1.784 63.088 61.300 0.007 0.000 1.318 3479 I CB -1.145 36.854 38.000 -0.002 0.000 1.054 3479 I HN 0.242 nan 8.210 nan 0.000 0.395 3480 L N 0.098 121.343 121.223 0.037 0.000 2.230 3480 L HA -0.302 4.024 4.340 -0.022 0.000 0.217 3480 L C 1.848 178.809 176.870 0.152 0.000 1.090 3480 L CA 1.119 56.015 54.840 0.094 0.000 0.771 3480 L CB -0.379 41.732 42.059 0.087 0.000 0.892 3480 L HN 0.440 nan 8.230 nan 0.000 0.438 3481 C N 0.308 119.633 119.300 0.042 0.000 2.548 3481 C HA 0.196 4.642 4.460 -0.022 0.000 0.297 3481 C C 1.030 175.997 174.990 -0.039 0.000 1.422 3481 C CA -0.738 58.241 59.018 -0.065 0.000 1.785 3481 C CB -1.848 25.726 27.740 -0.277 0.000 2.593 3481 C HN 0.549 nan 8.230 nan 0.000 0.545 3482 N N 1.589 120.307 118.700 0.030 0.000 2.693 3482 N HA -0.152 4.574 4.740 -0.022 0.000 0.250 3482 N C -0.133 175.352 175.510 -0.042 0.000 1.033 3482 N CA 0.717 53.801 53.050 0.057 0.000 0.747 3482 N CB -0.621 37.968 38.487 0.169 0.000 0.964 3482 N HN 0.599 nan 8.380 nan 0.000 0.540 3483 T N -0.637 113.853 114.554 -0.107 0.000 2.930 3483 T HA 0.296 4.632 4.350 -0.022 0.000 0.306 3483 T C 1.681 176.266 174.700 -0.192 0.000 1.045 3483 T CA 0.469 62.449 62.100 -0.199 0.000 1.134 3483 T CB 1.529 70.326 68.868 -0.119 0.000 0.961 3483 T HN 0.577 nan 8.240 nan 0.000 0.545 3484 R N 0.996 121.338 120.500 -0.262 0.000 2.254 3484 R HA 0.278 4.604 4.340 -0.022 0.000 0.193 3484 R C 0.274 176.312 176.300 -0.437 0.000 0.929 3484 R CA 0.630 56.598 56.100 -0.221 0.000 1.038 3484 R CB -0.421 29.828 30.300 -0.085 0.000 1.009 3484 R HN 0.903 nan 8.270 nan 0.000 0.512 3485 H N -1.050 117.985 119.070 -0.059 0.000 3.046 3485 H HA 0.530 5.072 4.556 -0.022 0.000 0.363 3485 H C -0.809 174.539 175.328 0.033 0.000 1.203 3485 H CA -0.899 55.165 56.048 0.027 0.000 1.169 3485 H CB 1.674 31.454 29.762 0.030 0.000 1.851 3485 H HN 0.183 nan 8.280 nan 0.000 0.546 3486 I N 0.661 121.361 120.570 0.218 0.000 2.307 3486 I HA 0.475 4.631 4.170 -0.022 0.000 0.289 3486 I C -0.440 175.817 176.117 0.234 0.000 1.021 3486 I CA -0.666 60.728 61.300 0.156 0.000 1.224 3486 I CB 1.062 39.180 38.000 0.198 0.000 1.376 3486 I HN 0.349 nan 8.210 nan 0.000 0.470 3487 S N 4.006 119.796 115.700 0.149 0.000 2.601 3487 S HA 0.163 4.620 4.470 -0.022 0.000 0.271 3487 S C 0.615 175.391 174.600 0.293 0.000 1.305 3487 S CA -0.656 57.658 58.200 0.190 0.000 1.022 3487 S CB 1.618 64.899 63.200 0.135 0.000 0.940 3487 S HN 0.561 nan 8.310 nan 0.000 0.525 3488 D N 1.796 122.385 120.400 0.315 0.000 2.264 3488 D HA -0.086 4.540 4.640 -0.022 0.000 0.208 3488 D C 2.066 178.541 176.300 0.291 0.000 0.966 3488 D CA 1.222 55.464 54.000 0.403 0.000 0.864 3488 D CB -0.401 40.515 40.800 0.193 0.000 0.933 3488 D HN 0.634 nan 8.370 nan 0.000 0.499 3489 S N -0.218 115.575 115.700 0.155 0.000 2.442 3489 S HA -0.106 4.351 4.470 -0.022 0.000 0.236 3489 S C 2.055 176.579 174.600 -0.125 0.000 1.007 3489 S CA 0.614 58.849 58.200 0.058 0.000 0.965 3489 S CB -0.359 62.913 63.200 0.120 0.000 0.773 3489 S HN 0.067 nan 8.310 nan 0.000 0.504 3490 V N 1.177 120.999 119.914 -0.153 0.000 2.229 3490 V HA -0.090 4.017 4.120 -0.022 0.000 0.243 3490 V C 2.249 178.069 176.094 -0.457 0.000 1.042 3490 V CA 2.123 64.157 62.300 -0.443 0.000 1.000 3490 V CB -1.207 30.205 31.823 -0.685 0.000 0.637 3490 V HN 0.508 nan 8.190 nan 0.000 0.446 3491 F N 0.136 119.996 119.950 -0.151 0.000 2.065 3491 F HA -0.223 4.290 4.527 -0.023 0.000 0.298 3491 F C 2.275 178.015 175.800 -0.099 0.000 1.112 3491 F CA 2.017 59.941 58.000 -0.127 0.000 1.212 3491 F CB -1.236 37.704 39.000 -0.100 0.000 0.975 3491 F HN 0.092 nan 8.300 nan 0.000 0.476 3492 L N 0.897 122.191 121.223 0.119 0.000 1.963 3492 L HA -0.299 4.027 4.340 -0.022 0.000 0.220 3492 L C 2.482 179.328 176.870 -0.041 0.000 1.076 3492 L CA 2.481 57.349 54.840 0.048 0.000 0.772 3492 L CB -0.912 41.175 42.059 0.046 0.000 0.892 3492 L HN 0.215 nan 8.230 nan 0.000 0.435 3493 E N 0.167 120.269 120.200 -0.164 0.000 2.233 3493 E HA -0.248 4.089 4.350 -0.022 0.000 0.199 3493 E C 1.731 178.220 176.600 -0.185 0.000 1.004 3493 E CA 1.799 58.036 56.400 -0.272 0.000 0.819 3493 E CB -0.391 28.881 29.700 -0.713 0.000 0.738 3493 E HN 0.676 nan 8.360 nan 0.000 0.478 3494 A N 0.847 123.576 122.820 -0.152 0.000 1.850 3494 A HA 0.260 4.566 4.320 -0.022 0.000 0.212 3494 A C 2.537 180.107 177.584 -0.024 0.000 1.208 3494 A CA 1.665 53.643 52.037 -0.097 0.000 0.609 3494 A CB -1.294 17.641 19.000 -0.109 0.000 0.860 3494 A HN 0.419 nan 8.150 nan 0.000 0.448 3495 A N 0.480 123.311 122.820 0.017 0.000 1.906 3495 A HA -0.362 3.945 4.320 -0.022 0.000 0.222 3495 A C 2.055 179.658 177.584 0.031 0.000 1.282 3495 A CA 2.695 54.764 52.037 0.052 0.000 0.675 3495 A CB -0.841 18.204 19.000 0.075 0.000 0.838 3495 A HN 0.587 nan 8.150 nan 0.000 0.469 3496 K N -0.557 119.852 120.400 0.014 0.000 1.977 3496 K HA -0.094 4.213 4.320 -0.022 0.000 0.218 3496 K C 2.343 178.946 176.600 0.006 0.000 1.051 3496 K CA 1.541 57.834 56.287 0.010 0.000 0.953 3496 K CB -0.657 31.845 32.500 0.004 0.000 0.727 3496 K HN 0.500 nan 8.250 nan 0.000 0.445 3497 A N 1.571 124.387 122.820 -0.008 0.000 1.944 3497 A HA -0.283 4.024 4.320 -0.022 0.000 0.222 3497 A C 2.162 179.749 177.584 0.006 0.000 1.237 3497 A CA 2.255 54.289 52.037 -0.004 0.000 0.668 3497 A CB -0.973 18.012 19.000 -0.024 0.000 0.830 3497 A HN 0.336 nan 8.150 nan 0.000 0.471 3498 L N -0.854 120.374 121.223 0.008 0.000 1.948 3498 L HA -0.089 4.238 4.340 -0.022 0.000 0.212 3498 L C 2.360 179.230 176.870 -0.000 0.000 1.074 3498 L CA 3.037 57.883 54.840 0.009 0.000 0.753 3498 L CB -1.525 40.541 42.059 0.012 0.000 0.888 3498 L HN 0.347 nan 8.230 nan 0.000 0.432 3499 T N -0.128 114.427 114.554 0.002 0.000 2.848 3499 T HA -0.159 4.178 4.350 -0.022 0.000 0.269 3499 T C 1.554 176.249 174.700 -0.009 0.000 1.081 3499 T CA 1.525 63.615 62.100 -0.016 0.000 1.125 3499 T CB -0.403 68.460 68.868 -0.007 0.000 0.848 3499 T HN 0.535 nan 8.240 nan 0.000 0.503 3500 S N 0.840 116.542 115.700 0.004 0.000 2.650 3500 S HA 0.102 4.559 4.470 -0.022 0.000 0.219 3500 S C 1.655 176.263 174.600 0.014 0.000 0.960 3500 S CA -0.004 58.202 58.200 0.011 0.000 0.925 3500 S CB 0.059 63.269 63.200 0.016 0.000 0.775 3500 S HN 0.414 nan 8.310 nan 0.000 0.525 3501 Q N 0.276 120.082 119.800 0.011 0.000 2.391 3501 Q HA 0.265 4.591 4.340 -0.022 0.000 0.211 3501 Q C 0.437 176.449 176.000 0.020 0.000 0.908 3501 Q CA -0.001 55.814 55.803 0.020 0.000 0.920 3501 Q CB -0.126 28.630 28.738 0.030 0.000 1.056 3501 Q HN 0.356 nan 8.270 nan 0.000 0.523 3502 L N 2.091 123.318 121.223 0.007 0.000 2.492 3502 L HA 0.027 4.354 4.340 -0.022 0.000 0.280 3502 L C 0.825 177.704 176.870 0.015 0.000 1.240 3502 L CA 0.970 55.813 54.840 0.006 0.000 0.831 3502 L CB 0.384 42.434 42.059 -0.015 0.000 1.100 3502 L HN 0.197 nan 8.230 nan 0.000 0.505 3503 T N -1.664 112.902 114.554 0.020 0.000 2.942 3503 T HA 0.408 4.745 4.350 -0.022 0.000 0.289 3503 T C 0.737 175.450 174.700 0.022 0.000 1.044 3503 T CA -0.340 61.772 62.100 0.021 0.000 1.023 3503 T CB 1.024 69.907 68.868 0.025 0.000 1.123 3503 T HN 0.554 nan 8.240 nan 0.000 0.512 3504 D N 0.877 121.290 120.400 0.021 0.000 2.092 3504 D HA -0.109 4.518 4.640 -0.022 0.000 0.193 3504 D C 1.720 178.036 176.300 0.027 0.000 0.994 3504 D CA 1.487 55.501 54.000 0.023 0.000 0.828 3504 D CB -0.148 40.664 40.800 0.020 0.000 0.963 3504 D HN 0.731 nan 8.370 nan 0.000 0.450 3505 E N 0.962 121.177 120.200 0.025 0.000 2.058 3505 E HA -0.188 4.149 4.350 -0.022 0.000 0.194 3505 E C 1.947 178.567 176.600 0.034 0.000 0.997 3505 E CA 1.112 57.528 56.400 0.026 0.000 0.801 3505 E CB -0.253 29.460 29.700 0.021 0.000 0.746 3505 E HN 0.415 nan 8.360 nan 0.000 0.450 3506 E N -0.031 120.190 120.200 0.036 0.000 2.153 3506 E HA -0.161 4.175 4.350 -0.022 0.000 0.194 3506 E C 1.738 178.367 176.600 0.048 0.000 0.988 3506 E CA 0.398 56.825 56.400 0.045 0.000 0.811 3506 E CB 0.003 29.729 29.700 0.043 0.000 0.746 3506 E HN 0.094 nan 8.360 nan 0.000 0.466 3507 L N 0.834 122.080 121.223 0.039 0.000 1.988 3507 L HA -0.105 4.222 4.340 -0.022 0.000 0.207 3507 L C 2.439 179.347 176.870 0.063 0.000 1.071 3507 L CA 1.827 56.691 54.840 0.040 0.000 0.744 3507 L CB -1.565 40.513 42.059 0.030 0.000 0.893 3507 L HN 0.052 nan 8.230 nan 0.000 0.433 3508 A N -0.568 122.286 122.820 0.057 0.000 1.870 3508 A HA -0.336 3.971 4.320 -0.022 0.000 0.219 3508 A C 2.040 179.684 177.584 0.100 0.000 1.224 3508 A CA 2.294 54.373 52.037 0.070 0.000 0.650 3508 A CB -0.892 18.134 19.000 0.044 0.000 0.836 3508 A HN 0.623 nan 8.150 nan 0.000 0.454 3509 Q N -1.897 117.948 119.800 0.075 0.000 2.344 3509 Q HA -0.095 4.232 4.340 -0.022 0.000 0.212 3509 Q C 1.305 177.403 176.000 0.163 0.000 0.991 3509 Q CA 1.081 56.934 55.803 0.084 0.000 0.897 3509 Q CB -0.464 28.313 28.738 0.065 0.000 0.915 3509 Q HN 1.305 nan 8.270 nan 0.000 0.438 3510 G N 1.152 110.048 108.800 0.159 0.000 2.142 3510 G HA2 -0.263 3.683 3.960 -0.022 0.000 0.225 3510 G HA3 -0.263 3.683 3.960 -0.022 0.000 0.225 3510 G C -0.431 174.576 174.900 0.178 0.000 1.015 3510 G CA 0.107 45.317 45.100 0.183 0.000 0.716 3510 G HN 0.333 nan 8.290 nan 0.000 0.508 3511 R N -0.821 119.751 120.500 0.119 0.000 2.407 3511 R HA 0.743 5.069 4.340 -0.022 0.000 0.303 3511 R C 0.605 176.888 176.300 -0.029 0.000 0.981 3511 R CA -0.941 55.215 56.100 0.092 0.000 0.905 3511 R CB 0.942 31.309 30.300 0.112 0.000 1.099 3511 R HN 0.045 nan 8.270 nan 0.000 0.459 3512 L N 1.818 122.927 121.223 -0.189 0.000 2.700 3512 L HA 0.311 4.637 4.340 -0.022 0.000 0.234 3512 L C -0.784 175.577 176.870 -0.847 0.000 1.156 3512 L CA 0.175 54.724 54.840 -0.485 0.000 0.946 3512 L CB -0.222 41.470 42.059 -0.612 0.000 1.216 3512 L HN 0.604 nan 8.230 nan 0.000 0.493 3513 Y N -1.590 118.641 120.300 -0.115 0.000 2.401 3513 Y HA 0.423 4.960 4.550 -0.022 0.000 0.330 3513 Y C -2.359 173.492 175.900 -0.081 0.000 1.071 3513 Y CA -2.632 55.317 58.100 -0.251 0.000 1.049 3513 Y CB 1.247 39.452 38.460 -0.426 0.000 1.239 3513 Y HN -0.166 nan 8.280 nan 0.000 0.437 3514 P HA -0.027 nan 4.420 nan 0.000 0.269 3514 P C -2.510 174.947 177.300 0.262 0.000 1.211 3514 P CA -0.783 62.406 63.100 0.148 0.000 0.781 3514 P CB -0.106 31.675 31.700 0.133 0.000 0.877 3515 P HA -0.039 nan 4.420 nan 0.000 0.261 3515 P C 0.728 178.124 177.300 0.161 0.000 1.183 3515 P CA 0.111 63.311 63.100 0.166 0.000 0.761 3515 P CB 0.428 32.190 31.700 0.103 0.000 0.785 3516 L N 3.907 125.203 121.223 0.121 0.000 2.349 3516 L HA -0.178 4.148 4.340 -0.022 0.000 0.220 3516 L C 2.454 179.314 176.870 -0.017 0.000 1.130 3516 L CA 1.785 56.614 54.840 -0.018 0.000 0.791 3516 L CB -1.140 40.884 42.059 -0.058 0.000 0.918 3516 L HN 0.453 nan 8.230 nan 0.000 0.444 3517 A N -0.695 122.139 122.820 0.023 0.000 2.019 3517 A HA -0.146 4.160 4.320 -0.022 0.000 0.219 3517 A C 1.401 178.989 177.584 0.007 0.000 1.164 3517 A CA 1.649 53.693 52.037 0.011 0.000 0.644 3517 A CB -0.504 18.509 19.000 0.022 0.000 0.805 3517 A HN 0.566 nan 8.150 nan 0.000 0.449 3518 N N -0.727 117.989 118.700 0.026 0.000 2.458 3518 N HA 0.212 4.939 4.740 -0.022 0.000 0.274 3518 N C 0.603 176.123 175.510 0.017 0.000 1.242 3518 N CA -0.224 52.839 53.050 0.022 0.000 0.904 3518 N CB 0.296 38.806 38.487 0.039 0.000 1.206 3518 N HN 0.365 nan 8.380 nan 0.000 0.510 3519 I N 0.491 121.048 120.570 -0.022 0.000 2.530 3519 I HA -0.282 3.874 4.170 -0.022 0.000 0.257 3519 I C 1.764 177.849 176.117 -0.053 0.000 1.179 3519 I CA 1.555 62.818 61.300 -0.061 0.000 1.440 3519 I CB 0.024 37.923 38.000 -0.168 0.000 1.087 3519 I HN 0.254 nan 8.210 nan 0.000 0.440 3520 Q N 0.979 120.755 119.800 -0.040 0.000 1.889 3520 Q HA -0.261 4.065 4.340 -0.022 0.000 0.211 3520 Q C 2.031 178.016 176.000 -0.026 0.000 0.988 3520 Q CA 2.021 57.801 55.803 -0.038 0.000 0.861 3520 Q CB -0.968 27.753 28.738 -0.029 0.000 0.922 3520 Q HN 0.730 nan 8.270 nan 0.000 0.425 3521 E N 1.299 121.493 120.200 -0.010 0.000 2.219 3521 E HA -0.162 4.175 4.350 -0.022 0.000 0.198 3521 E C 2.062 178.667 176.600 0.009 0.000 0.998 3521 E CA 1.406 57.806 56.400 -0.000 0.000 0.818 3521 E CB -0.334 29.370 29.700 0.007 0.000 0.741 3521 E HN 0.130 nan 8.360 nan 0.000 0.477 3522 V N 1.603 121.529 119.914 0.020 0.000 2.214 3522 V HA -0.291 3.816 4.120 -0.022 0.000 0.245 3522 V C 2.600 178.704 176.094 0.017 0.000 1.047 3522 V CA 2.194 64.521 62.300 0.044 0.000 0.998 3522 V CB -0.817 31.068 31.823 0.104 0.000 0.633 3522 V HN 0.315 nan 8.190 nan 0.000 0.446 3523 S N -0.429 115.261 115.700 -0.017 0.000 2.370 3523 S HA -0.177 4.279 4.470 -0.022 0.000 0.226 3523 S C 1.821 176.395 174.600 -0.043 0.000 1.033 3523 S CA 1.853 60.018 58.200 -0.058 0.000 1.011 3523 S CB -0.495 62.625 63.200 -0.132 0.000 0.852 3523 S HN 0.457 nan 8.310 nan 0.000 0.457 3524 I N 1.996 122.547 120.570 -0.031 0.000 2.151 3524 I HA -0.277 3.879 4.170 -0.022 0.000 0.243 3524 I C 2.220 178.336 176.117 -0.002 0.000 1.080 3524 I CA 1.341 62.630 61.300 -0.018 0.000 1.339 3524 I CB -0.482 37.510 38.000 -0.013 0.000 1.039 3524 I HN 0.365 nan 8.210 nan 0.000 0.409 3525 N N 0.657 119.360 118.700 0.006 0.000 2.106 3525 N HA -0.135 4.591 4.740 -0.022 0.000 0.188 3525 N C 2.079 177.598 175.510 0.015 0.000 1.029 3525 N CA 1.155 54.216 53.050 0.018 0.000 0.848 3525 N CB -0.056 38.444 38.487 0.022 0.000 1.007 3525 N HN 0.278 nan 8.380 nan 0.000 0.423 3526 I N 1.559 122.131 120.570 0.003 0.000 2.151 3526 I HA -0.325 3.832 4.170 -0.022 0.000 0.243 3526 I C 2.537 178.645 176.117 -0.015 0.000 1.080 3526 I CA 1.061 62.354 61.300 -0.011 0.000 1.339 3526 I CB -0.429 37.555 38.000 -0.027 0.000 1.039 3526 I HN 0.166 nan 8.210 nan 0.000 0.409 3527 A N 1.488 124.299 122.820 -0.016 0.000 1.835 3527 A HA -0.206 4.101 4.320 -0.022 0.000 0.215 3527 A C 2.238 179.843 177.584 0.035 0.000 1.199 3527 A CA 1.721 53.755 52.037 -0.006 0.000 0.615 3527 A CB -0.932 18.061 19.000 -0.012 0.000 0.838 3527 A HN 0.377 nan 8.150 nan 0.000 0.444 3528 I N -0.832 119.768 120.570 0.050 0.000 2.181 3528 I HA -0.342 3.815 4.170 -0.022 0.000 0.247 3528 I C 2.505 178.681 176.117 0.099 0.000 1.081 3528 I CA 2.190 63.544 61.300 0.091 0.000 1.340 3528 I CB -0.726 37.322 38.000 0.081 0.000 1.036 3528 I HN 0.253 nan 8.210 nan 0.000 0.417 3529 K N 1.216 121.659 120.400 0.071 0.000 1.967 3529 K HA -0.064 4.243 4.320 -0.022 0.000 0.212 3529 K C 2.003 178.662 176.600 0.097 0.000 1.044 3529 K CA 1.205 57.541 56.287 0.081 0.000 0.942 3529 K CB -0.848 31.683 32.500 0.052 0.000 0.726 3529 K HN 0.059 nan 8.250 nan 0.000 0.440 3530 V N 1.291 121.227 119.914 0.038 0.000 2.280 3530 V HA -0.416 3.690 4.120 -0.022 0.000 0.258 3530 V C 2.463 178.616 176.094 0.100 0.000 1.081 3530 V CA 2.704 65.010 62.300 0.010 0.000 1.070 3530 V CB -1.628 30.151 31.823 -0.074 0.000 0.666 3530 V HN 0.732 nan 8.190 nan 0.000 0.450 3531 T N 0.392 114.994 114.554 0.080 0.000 2.643 3531 T HA -0.256 4.080 4.350 -0.022 0.000 0.264 3531 T C 1.714 176.490 174.700 0.127 0.000 1.045 3531 T CA 1.856 63.991 62.100 0.059 0.000 1.155 3531 T CB -0.609 68.306 68.868 0.078 0.000 0.863 3531 T HN 0.739 nan 8.240 nan 0.000 0.420 3532 E N 0.401 120.725 120.200 0.206 0.000 2.130 3532 E HA -0.219 4.118 4.350 -0.022 0.000 0.196 3532 E C 2.072 178.787 176.600 0.191 0.000 0.998 3532 E CA 1.574 58.120 56.400 0.243 0.000 0.806 3532 E CB -0.904 28.901 29.700 0.174 0.000 0.738 3532 E HN 0.768 nan 8.360 nan 0.000 0.459 3533 Y N 1.956 122.298 120.300 0.071 0.000 2.089 3533 Y HA -0.227 4.310 4.550 -0.023 0.000 0.282 3533 Y C 2.053 177.981 175.900 0.047 0.000 1.139 3533 Y CA 1.659 59.787 58.100 0.047 0.000 1.123 3533 Y CB -0.324 38.144 38.460 0.013 0.000 0.980 3533 Y HN -0.051 nan 8.280 nan 0.000 0.493 3534 L N -0.685 120.673 121.223 0.224 0.000 1.991 3534 L HA -0.381 3.945 4.340 -0.022 0.000 0.221 3534 L C 2.415 179.264 176.870 -0.034 0.000 1.079 3534 L CA 2.266 57.149 54.840 0.071 0.000 0.778 3534 L CB -1.098 40.947 42.059 -0.024 0.000 0.893 3534 L HN 0.363 nan 8.230 nan 0.000 0.437 3535 Y N -0.697 119.597 120.300 -0.009 0.000 2.053 3535 Y HA -0.403 4.134 4.550 -0.023 0.000 0.277 3535 Y C 2.649 178.509 175.900 -0.066 0.000 1.159 3535 Y CA 1.073 59.165 58.100 -0.014 0.000 1.125 3535 Y CB -0.421 38.031 38.460 -0.013 0.000 0.969 3535 Y HN 0.268 nan 8.280 nan 0.000 0.492 3536 A N 0.368 123.224 122.820 0.060 0.000 1.971 3536 A HA -0.279 4.028 4.320 -0.022 0.000 0.222 3536 A C 1.601 179.108 177.584 -0.128 0.000 1.182 3536 A CA 2.260 54.253 52.037 -0.073 0.000 0.649 3536 A CB -0.851 18.048 19.000 -0.168 0.000 0.818 3536 A HN 0.650 nan 8.150 nan 0.000 0.458 3537 N N -0.679 117.891 118.700 -0.217 0.000 2.268 3537 N HA 0.056 4.782 4.740 -0.022 0.000 0.204 3537 N C -0.497 175.001 175.510 -0.019 0.000 1.124 3537 N CA -0.107 52.846 53.050 -0.161 0.000 0.838 3537 N CB 0.253 38.582 38.487 -0.263 0.000 0.994 3537 N HN 0.109 nan 8.380 nan 0.000 0.489 3541 F N 1.362 121.312 119.950 0.000 0.000 2.735 3541 F HA 0.251 4.764 4.527 -0.023 0.000 0.304 3541 F C 1.223 177.068 175.800 0.075 0.000 1.119 3541 F CA -0.319 57.726 58.000 0.075 0.000 1.280 3541 F CB 0.573 39.613 39.000 0.066 0.000 0.994 3541 F HN 0.526 nan 8.300 nan 0.000 0.520 3542 R N 2.175 122.832 120.500 0.261 0.000 2.239 3542 R HA 0.185 4.511 4.340 -0.022 0.000 0.332 3542 R C -1.267 175.162 176.300 0.216 0.000 0.988 3542 R CA -0.326 55.871 56.100 0.161 0.000 0.859 3542 R CB 0.362 30.753 30.300 0.152 0.000 1.148 3542 R HN 0.358 nan 8.270 nan 0.000 0.482 3543 Y N 3.013 123.402 120.300 0.148 0.000 2.403 3543 Y HA 0.741 5.279 4.550 -0.022 0.000 0.323 3543 Y C -2.145 173.790 175.900 0.060 0.000 1.226 3543 Y CA -2.463 55.686 58.100 0.082 0.000 1.235 3543 Y CB 0.610 39.094 38.460 0.040 0.000 1.248 3543 Y HN 0.390 nan 8.280 nan 0.000 0.489 3544 P HA 0.137 nan 4.420 nan 0.000 0.293 3544 P C -1.080 176.237 177.300 0.030 0.000 1.300 3544 P CA -0.579 62.659 63.100 0.230 0.000 0.792 3544 P CB 1.386 33.161 31.700 0.124 0.000 0.925 3545 E N 5.531 125.681 120.200 -0.082 0.000 2.924 3545 E HA -0.041 4.296 4.350 -0.022 0.000 0.236 3545 E C -1.481 174.894 176.600 -0.375 0.000 1.028 3545 E CA -1.147 54.972 56.400 -0.468 0.000 0.952 3545 E CB 0.022 29.208 29.700 -0.857 0.000 0.918 3545 E HN 0.295 nan 8.360 nan 0.000 0.536 3546 P HA -0.083 nan 4.420 nan 0.000 0.270 3546 P C 0.304 177.489 177.300 -0.192 0.000 1.227 3546 P CA -0.005 62.967 63.100 -0.212 0.000 0.788 3546 P CB 0.855 32.430 31.700 -0.208 0.000 0.926 3547 E N 0.431 120.574 120.200 -0.095 0.000 2.021 3547 E HA -0.123 4.213 4.350 -0.022 0.000 0.189 3547 E C -0.049 176.532 176.600 -0.032 0.000 0.980 3547 E CA 0.922 57.281 56.400 -0.069 0.000 0.803 3547 E CB -0.243 29.435 29.700 -0.036 0.000 0.766 3547 E HN 0.366 nan 8.360 nan 0.000 0.449 3548 D N 1.035 121.441 120.400 0.010 0.000 2.453 3548 D HA 0.047 4.673 4.640 -0.022 0.000 0.223 3548 D C 0.345 176.716 176.300 0.119 0.000 1.183 3548 D CA -0.063 53.970 54.000 0.056 0.000 0.933 3548 D CB 0.812 41.650 40.800 0.063 0.000 1.038 3548 D HN -0.098 nan 8.370 nan 0.000 0.513 3549 K N 1.959 122.431 120.400 0.121 0.000 2.217 3549 K HA 0.029 4.335 4.320 -0.022 0.000 0.202 3549 K C 1.684 178.422 176.600 0.230 0.000 1.051 3549 K CA 0.682 57.105 56.287 0.227 0.000 0.952 3549 K CB -0.154 32.463 32.500 0.194 0.000 0.736 3549 K HN 0.372 nan 8.250 nan 0.000 0.453 3550 A N 1.752 124.657 122.820 0.142 0.000 1.829 3550 A HA -0.272 4.034 4.320 -0.022 0.000 0.216 3550 A C 2.130 179.779 177.584 0.107 0.000 1.207 3550 A CA 2.164 54.263 52.037 0.105 0.000 0.622 3550 A CB -0.736 18.308 19.000 0.073 0.000 0.846 3550 A HN 0.312 nan 8.150 nan 0.000 0.447 3551 K N -1.632 118.829 120.400 0.102 0.000 2.034 3551 K HA -0.278 4.028 4.320 -0.022 0.000 0.214 3551 K C 1.907 178.578 176.600 0.118 0.000 1.051 3551 K CA 2.240 58.581 56.287 0.090 0.000 0.931 3551 K CB -0.615 31.936 32.500 0.085 0.000 0.715 3551 K HN 0.492 nan 8.250 nan 0.000 0.446 3552 Y N 2.021 122.349 120.300 0.048 0.000 1.911 3552 Y HA -0.380 4.157 4.550 -0.022 0.000 0.244 3552 Y C 2.151 178.085 175.900 0.058 0.000 1.139 3552 Y CA 2.482 60.618 58.100 0.061 0.000 1.070 3552 Y CB -0.966 37.545 38.460 0.086 0.000 0.919 3552 Y HN -0.066 nan 8.280 nan 0.000 0.497 3553 V N 1.065 120.912 119.914 -0.111 0.000 2.252 3553 V HA -0.358 3.749 4.120 -0.022 0.000 0.249 3553 V C 2.244 178.259 176.094 -0.132 0.000 1.056 3553 V CA 2.481 64.648 62.300 -0.222 0.000 1.022 3553 V CB -0.837 30.986 31.823 0.001 0.000 0.641 3553 V HN 0.398 nan 8.190 nan 0.000 0.445 3554 K N -0.418 119.959 120.400 -0.038 0.000 2.589 3554 K HA -0.210 4.097 4.320 -0.022 0.000 0.195 3554 K C 1.754 178.328 176.600 -0.042 0.000 1.042 3554 K CA 1.200 57.472 56.287 -0.026 0.000 0.940 3554 K CB -0.117 32.386 32.500 0.005 0.000 0.776 3554 K HN 0.635 nan 8.250 nan 0.000 0.487 3555 E N -0.775 119.378 120.200 -0.079 0.000 2.399 3555 E HA 0.036 4.372 4.350 -0.022 0.000 0.205 3555 E C 1.242 177.794 176.600 -0.080 0.000 0.906 3555 E CA -0.035 56.325 56.400 -0.066 0.000 0.998 3555 E CB 0.461 30.133 29.700 -0.046 0.000 1.002 3555 E HN 0.008 nan 8.360 nan 0.000 0.501 3556 R N 1.019 121.436 120.500 -0.138 0.000 2.313 3556 R HA 0.044 4.370 4.340 -0.022 0.000 0.199 3556 R C 0.054 176.335 176.300 -0.032 0.000 0.958 3556 R CA 0.353 56.392 56.100 -0.102 0.000 1.047 3556 R CB 0.083 30.272 30.300 -0.185 0.000 0.955 3556 R HN 0.055 nan 8.270 nan 0.000 0.481 3557 T N -1.788 112.751 114.554 -0.024 0.000 2.919 3557 T HA 0.059 4.396 4.350 -0.022 0.000 0.302 3557 T C -0.057 174.692 174.700 0.081 0.000 1.031 3557 T CA -0.787 61.328 62.100 0.026 0.000 1.127 3557 T CB 1.050 69.918 68.868 0.000 0.000 0.952 3557 T HN 0.235 nan 8.240 nan 0.000 0.540 3558 W N 2.250 123.504 121.300 -0.076 0.000 2.086 3558 W HA 0.587 5.232 4.660 -0.025 0.000 0.355 3558 W C 0.175 176.650 176.519 -0.073 0.000 1.313 3558 W CA -0.732 56.571 57.345 -0.070 0.000 1.358 3558 W CB 0.635 30.040 29.460 -0.093 0.000 1.166 3558 W HN 0.693 nan 8.180 nan 0.000 0.630 3559 R N 0.237 120.077 120.500 -1.100 0.000 2.710 3559 R HA 0.225 4.552 4.340 -0.022 0.000 0.270 3559 R C 0.477 175.866 176.300 -1.518 0.000 1.021 3559 R CA -0.002 55.502 56.100 -0.993 0.000 0.889 3559 R CB 1.704 31.698 30.300 -0.509 0.000 1.243 3559 R HN 0.409 nan 8.270 nan 0.000 0.464 3560 S N -0.025 115.155 115.700 -0.867 0.000 2.593 3560 S HA 0.082 4.538 4.470 -0.022 0.000 0.217 3560 S C -0.248 174.068 174.600 -0.474 0.000 0.966 3560 S CA -0.230 57.611 58.200 -0.599 0.000 0.914 3560 S CB -0.245 62.795 63.200 -0.267 0.000 0.776 3560 S HN 0.527 nan 8.310 nan 0.000 0.523 3561 E N 1.442 121.381 120.200 -0.435 0.000 2.289 3561 E HA 0.151 4.487 4.350 -0.022 0.000 0.278 3561 E C -0.895 175.578 176.600 -0.211 0.000 1.032 3561 E CA -0.623 55.577 56.400 -0.333 0.000 0.854 3561 E CB 0.486 30.048 29.700 -0.230 0.000 1.046 3561 E HN 0.525 nan 8.360 nan 0.000 0.409 3562 Y N 1.812 122.039 120.300 -0.122 0.000 2.610 3562 Y HA -0.047 4.492 4.550 -0.020 0.000 0.332 3562 Y C 0.750 176.609 175.900 -0.069 0.000 1.201 3562 Y CA -0.289 57.755 58.100 -0.094 0.000 1.465 3562 Y CB 0.598 39.004 38.460 -0.090 0.000 1.283 3562 Y HN 0.420 nan 8.280 nan 0.000 0.563 3563 D N 0.845 121.327 120.400 0.136 0.000 2.387 3563 D HA 0.138 4.764 4.640 -0.022 0.000 0.255 3563 D C -0.676 175.663 176.300 0.064 0.000 1.081 3563 D CA -0.648 53.396 54.000 0.072 0.000 0.994 3563 D CB 1.553 42.391 40.800 0.063 0.000 1.127 3563 D HN 0.288 nan 8.370 nan 0.000 0.513 3564 S N -0.094 115.639 115.700 0.054 0.000 2.499 3564 S HA 0.273 4.729 4.470 -0.022 0.000 0.279 3564 S C 1.120 175.756 174.600 0.059 0.000 1.219 3564 S CA -0.611 57.621 58.200 0.054 0.000 1.062 3564 S CB 0.218 63.446 63.200 0.046 0.000 0.978 3564 S HN 0.318 nan 8.310 nan 0.000 0.489 3565 L N 4.513 125.779 121.223 0.070 0.000 2.585 3565 L HA 0.286 4.612 4.340 -0.022 0.000 0.226 3565 L C 0.345 177.242 176.870 0.046 0.000 1.113 3565 L CA 0.037 54.919 54.840 0.070 0.000 0.876 3565 L CB -0.118 42.005 42.059 0.108 0.000 1.072 3565 L HN 0.484 nan 8.230 nan 0.000 0.468 3566 L N 3.426 124.674 121.223 0.042 0.000 2.559 3566 L HA 0.076 4.402 4.340 -0.022 0.000 0.274 3566 L C -1.542 175.344 176.870 0.028 0.000 1.205 3566 L CA -1.153 53.703 54.840 0.027 0.000 0.907 3566 L CB -0.035 42.041 42.059 0.029 0.000 1.153 3566 L HN -0.023 nan 8.230 nan 0.000 0.490 3567 P HA 0.053 nan 4.420 nan 0.000 0.275 3567 P C -0.764 176.557 177.300 0.034 0.000 1.227 3567 P CA -0.532 62.580 63.100 0.020 0.000 0.781 3567 P CB 0.800 32.499 31.700 -0.002 0.000 0.906 3568 D N 1.826 122.265 120.400 0.065 0.000 2.472 3568 D HA 0.115 4.742 4.640 -0.022 0.000 0.248 3568 D C -0.633 175.746 176.300 0.131 0.000 1.174 3568 D CA 0.509 54.585 54.000 0.127 0.000 0.883 3568 D CB 0.242 41.144 40.800 0.170 0.000 1.149 3568 D HN -0.047 nan 8.370 nan 0.000 0.488 3569 V N 4.811 124.804 119.914 0.131 0.000 2.914 3569 V HA 0.677 4.784 4.120 -0.022 0.000 0.314 3569 V C -1.031 175.147 176.094 0.139 0.000 1.084 3569 V CA -0.654 61.631 62.300 -0.024 0.000 0.963 3569 V CB 1.790 33.578 31.823 -0.059 0.000 1.025 3569 V HN 0.559 nan 8.190 nan 0.000 0.432 3570 Y N 0.540 120.830 120.300 -0.016 0.000 2.522 3570 Y HA 0.574 5.110 4.550 -0.023 0.000 0.326 3570 Y C -0.651 175.274 175.900 0.040 0.000 1.198 3570 Y CA -1.538 56.577 58.100 0.024 0.000 1.112 3570 Y CB 0.630 39.122 38.460 0.054 0.000 1.342 3570 Y HN 0.745 nan 8.280 nan 0.000 0.460 3571 E N 2.108 122.416 120.200 0.181 0.000 2.384 3571 E HA 0.190 4.527 4.350 -0.022 0.000 0.266 3571 E C -1.431 175.376 176.600 0.345 0.000 1.012 3571 E CA -0.014 56.481 56.400 0.158 0.000 0.901 3571 E CB 0.635 30.411 29.700 0.127 0.000 0.967 3571 E HN 0.597 nan 8.360 nan 0.000 0.435 3572 W N 5.196 126.527 121.300 0.051 0.000 2.390 3572 W HA 0.378 5.026 4.660 -0.019 0.000 0.312 3572 W C -2.056 174.494 176.519 0.052 0.000 1.123 3572 W CA -2.376 55.016 57.345 0.078 0.000 1.202 3572 W CB 0.801 30.279 29.460 0.032 0.000 1.251 3572 W HN 0.639 nan 8.180 nan 0.000 0.511 3573 P HA 0.000 nan 4.420 nan 0.000 0.216 3573 P CA 0.000 63.134 63.100 0.057 0.000 0.800 3573 P CB 0.000 31.707 31.700 0.012 0.000 0.726