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 1n7v_1_A DATA FIRST_RESID 2 DATA SEQUENCE ANFNVPKLGV FPVAAVFDID NVPEDSSATG SRWLPSIYQG GNYWGGGPQA DATA SEQUENCE LHAQVSNFDS SNRLPYNPRT ENNPAGNCAF AFNPFGQYIS NISSAQSVHR DATA SEQUENCE RIYGIDLNDE PLFSPNAASI TNGGNPTMSQ DTGYHNIGPI NTAYKAEIFR DATA SEQUENCE PVNPLPMSDT APDPETLEPG QTEPLIKSDG VYSNSGIASF IFDRPVTEPN DATA SEQUENCE PNWPPLPPPV IPIIYPTPAL GIGAAAAYGF GYQVTVYRWE EIPVEFXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXLN PEGSPCAYEA GIILVRQTSN PMNAVAGRLV DATA SEQUENCE PYVEDIAVDI FLTGKFFTLN PPLRITNNYF ADDEVKENTV TIGNYTTTLS DATA SEQUENCE SAYYAVYKTD GYGGATCFIA SGGAGISALV QLQDNSVLDV LYYSLPLSLG DATA SEQUENCE GSKAAIDEWV ANNCGLFPMS GGLDKTTLLE IPRRQLEAIN PQDGPGQYDL DATA SEQUENCE FILDDSGAYA SFSSFIGYPE AAYYVAGAAT FMDVENPDEI IFILRNGAGW DATA SEQUENCE YACEIGDALK IADDEFDSVD YFAYRGGVMF IGSARYTEGG DPLPIKYRAI DATA SEQUENCE IPGLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.400 177.584 -0.307 0.000 1.274 2 A CA 0.000 51.933 52.037 -0.174 0.000 0.836 2 A CB 0.000 18.884 19.000 -0.194 0.000 0.831 3 N N 0.518 118.965 118.700 -0.423 0.000 2.530 3 N HA 0.728 5.468 4.740 -0.000 0.000 0.277 3 N C -1.248 173.784 175.510 -0.797 0.000 1.168 3 N CA 0.429 53.227 53.050 -0.420 0.000 0.979 3 N CB 0.373 38.702 38.487 -0.263 0.000 1.141 3 N HN 0.445 nan 8.380 nan 0.000 0.459 4 F N 0.292 119.998 119.950 -0.407 0.000 2.557 4 F HA 0.294 4.821 4.527 -0.000 0.000 0.316 4 F C 0.059 175.736 175.800 -0.205 0.000 1.141 4 F CA -1.058 56.718 58.000 -0.373 0.000 0.922 4 F CB 1.260 39.843 39.000 -0.694 0.000 1.194 4 F HN 0.132 nan 8.300 nan 0.000 0.443 5 N N 2.018 120.751 118.700 0.055 0.000 2.520 5 N HA 0.414 5.154 4.740 -0.000 0.000 0.273 5 N C -0.893 174.716 175.510 0.165 0.000 1.155 5 N CA -0.177 52.921 53.050 0.079 0.000 0.967 5 N CB 1.729 40.242 38.487 0.044 0.000 1.092 5 N HN 0.262 nan 8.380 nan 0.000 0.457 6 V N 4.294 124.319 119.914 0.184 0.000 2.349 6 V HA 0.342 4.462 4.120 -0.000 0.000 0.284 6 V C -2.110 174.181 176.094 0.330 0.000 1.014 6 V CA -1.536 60.918 62.300 0.256 0.000 0.826 6 V CB 1.737 33.724 31.823 0.275 0.000 1.009 6 V HN 0.589 nan 8.190 nan 0.000 0.431 7 P HA 0.194 nan 4.420 nan 0.000 0.278 7 P C -0.754 176.501 177.300 -0.075 0.000 1.238 7 P CA -0.603 62.572 63.100 0.125 0.000 0.794 7 P CB 1.313 33.025 31.700 0.019 0.000 0.955 8 K N 3.373 123.586 120.400 -0.311 0.000 2.338 8 K HA 0.168 4.488 4.320 -0.000 0.000 0.290 8 K C 0.813 176.984 176.600 -0.714 0.000 1.069 8 K CA -0.256 55.368 56.287 -1.104 0.000 0.941 8 K CB -0.276 31.637 32.500 -0.978 0.000 1.023 8 K HN 0.436 nan 8.250 nan 0.000 0.477 9 L N 3.248 123.951 121.223 -0.867 0.000 2.558 9 L HA 0.227 4.567 4.340 -0.000 0.000 0.225 9 L C 1.040 177.616 176.870 -0.489 0.000 1.128 9 L CA 0.208 54.655 54.840 -0.655 0.000 0.868 9 L CB -0.055 41.522 42.059 -0.803 0.000 1.006 9 L HN 0.993 nan 8.230 nan 0.000 0.454 10 G N -0.724 107.755 108.800 -0.534 0.000 2.352 10 G HA2 0.204 4.164 3.960 -0.000 0.000 0.283 10 G HA3 0.204 4.164 3.960 -0.000 0.000 0.283 10 G C -1.794 172.987 174.900 -0.197 0.000 1.308 10 G CA -0.688 44.283 45.100 -0.215 0.000 0.892 10 G HN -0.313 nan 8.290 nan 0.000 0.504 11 V N 0.807 120.681 119.914 -0.066 0.000 2.483 11 V HA 0.489 4.609 4.120 -0.000 0.000 0.297 11 V C -0.424 175.705 176.094 0.059 0.000 1.027 11 V CA -0.499 61.764 62.300 -0.062 0.000 0.855 11 V CB 1.423 33.236 31.823 -0.017 0.000 0.995 11 V HN 0.596 nan 8.190 nan 0.000 0.424 12 F N 7.056 126.948 119.950 -0.097 0.000 2.466 12 F HA 0.298 4.825 4.527 -0.000 0.000 0.363 12 F C -1.484 174.241 175.800 -0.126 0.000 1.109 12 F CA -1.976 55.898 58.000 -0.210 0.000 1.161 12 F CB 1.339 40.054 39.000 -0.475 0.000 1.117 12 F HN 0.298 nan 8.300 nan 0.000 0.539 13 P HA 0.064 nan 4.420 nan 0.000 0.274 13 P C -0.570 176.741 177.300 0.018 0.000 1.231 13 P CA -0.223 62.905 63.100 0.046 0.000 0.790 13 P CB 1.597 33.312 31.700 0.026 0.000 0.951 14 V N 2.206 122.135 119.914 0.024 0.000 2.470 14 V HA 0.164 4.284 4.120 -0.000 0.000 0.276 14 V C 1.643 177.728 176.094 -0.016 0.000 1.040 14 V CA 0.597 62.905 62.300 0.013 0.000 1.008 14 V CB 0.167 32.004 31.823 0.023 0.000 0.990 14 V HN 0.760 nan 8.190 nan 0.000 0.477 15 A N 4.088 126.891 122.820 -0.028 0.000 2.147 15 A HA 0.751 5.071 4.320 -0.000 0.000 0.211 15 A C 0.923 178.471 177.584 -0.060 0.000 1.160 15 A CA 0.797 52.811 52.037 -0.038 0.000 0.781 15 A CB 0.189 19.169 19.000 -0.035 0.000 0.842 15 A HN 1.304 nan 8.150 nan 0.000 0.475 16 A N -1.488 121.279 122.820 -0.088 0.000 2.594 16 A HA 0.570 4.890 4.320 -0.000 0.000 0.296 16 A C -1.457 175.934 177.584 -0.320 0.000 1.056 16 A CA -0.305 51.590 52.037 -0.237 0.000 0.693 16 A CB 0.731 19.613 19.000 -0.198 0.000 1.278 16 A HN 0.572 nan 8.150 nan 0.000 0.408 17 V N 0.971 120.543 119.914 -0.571 0.000 2.789 17 V HA 0.781 4.901 4.120 -0.000 0.000 0.311 17 V C -1.381 174.307 176.094 -0.677 0.000 1.073 17 V CA -0.431 61.624 62.300 -0.407 0.000 0.921 17 V CB 1.643 33.359 31.823 -0.179 0.000 1.009 17 V HN 0.760 nan 8.190 nan 0.000 0.426 18 F N 0.978 120.916 119.950 -0.020 0.000 2.561 18 F HA 0.507 5.034 4.527 -0.000 0.000 0.313 18 F C -0.102 175.704 175.800 0.011 0.000 1.126 18 F CA -0.835 57.159 58.000 -0.009 0.000 0.918 18 F CB 1.670 40.654 39.000 -0.026 0.000 1.199 18 F HN 0.351 nan 8.300 nan 0.000 0.444 19 D N 3.289 123.810 120.400 0.201 0.000 2.312 19 D HA 0.308 4.948 4.640 -0.000 0.000 0.252 19 D C -0.011 176.395 176.300 0.177 0.000 1.150 19 D CA 0.216 54.310 54.000 0.157 0.000 0.870 19 D CB 1.289 42.158 40.800 0.116 0.000 1.153 19 D HN 0.370 nan 8.370 nan 0.000 0.457 20 I N 3.260 123.944 120.570 0.190 0.000 2.282 20 I HA 0.072 4.242 4.170 -0.000 0.000 0.290 20 I C 0.660 176.906 176.117 0.215 0.000 1.090 20 I CA -0.224 61.189 61.300 0.189 0.000 1.231 20 I CB 0.729 38.838 38.000 0.181 0.000 1.434 20 I HN 0.192 nan 8.210 nan 0.000 0.487 21 D N 3.279 123.774 120.400 0.159 0.000 2.379 21 D HA -0.054 4.586 4.640 -0.000 0.000 0.218 21 D C 1.097 177.459 176.300 0.103 0.000 1.006 21 D CA 0.484 54.565 54.000 0.135 0.000 0.893 21 D CB 0.092 40.951 40.800 0.099 0.000 1.019 21 D HN 0.525 nan 8.370 nan 0.000 0.503 22 N N 2.060 120.807 118.700 0.078 0.000 2.715 22 N HA -0.008 4.732 4.740 -0.000 0.000 0.254 22 N C 0.178 175.683 175.510 -0.008 0.000 1.306 22 N CA 0.062 53.128 53.050 0.025 0.000 0.956 22 N CB -0.024 38.461 38.487 -0.002 0.000 1.296 22 N HN 0.061 nan 8.380 nan 0.000 0.512 23 V N -3.810 116.120 119.914 0.028 0.000 3.040 23 V HA 0.682 4.802 4.120 -0.000 0.000 0.312 23 V C -2.708 173.409 176.094 0.039 0.000 1.115 23 V CA -2.199 60.088 62.300 -0.022 0.000 0.998 23 V CB 0.998 32.788 31.823 -0.056 0.000 1.042 23 V HN -0.124 nan 8.190 nan 0.000 0.433 24 P HA 0.241 nan 4.420 nan 0.000 0.268 24 P C -0.535 176.846 177.300 0.134 0.000 1.208 24 P CA 0.006 63.139 63.100 0.054 0.000 0.777 24 P CB 0.288 32.005 31.700 0.028 0.000 0.875 25 E N 1.607 121.868 120.200 0.102 0.000 2.259 25 E HA 0.127 4.477 4.350 -0.000 0.000 0.281 25 E C -0.703 175.957 176.600 0.099 0.000 1.037 25 E CA -0.145 56.321 56.400 0.110 0.000 0.854 25 E CB 0.387 30.122 29.700 0.059 0.000 1.051 25 E HN 0.353 nan 8.360 nan 0.000 0.409 26 D N 1.940 122.409 120.400 0.114 0.000 2.408 26 D HA 0.075 4.715 4.640 -0.000 0.000 0.243 26 D C -0.564 175.719 176.300 -0.029 0.000 1.075 26 D CA -0.287 53.743 54.000 0.051 0.000 0.832 26 D CB 1.916 42.762 40.800 0.077 0.000 1.162 26 D HN 0.211 nan 8.370 nan 0.000 0.515 27 S N 0.948 116.626 115.700 -0.037 0.000 2.531 27 S HA 0.033 4.503 4.470 -0.000 0.000 0.279 27 S C 1.340 175.886 174.600 -0.090 0.000 1.305 27 S CA -0.300 57.859 58.200 -0.068 0.000 1.058 27 S CB 0.619 63.795 63.200 -0.041 0.000 0.899 27 S HN 0.314 nan 8.310 nan 0.000 0.493 28 S N 4.140 119.742 115.700 -0.164 0.000 2.440 28 S HA -0.086 4.384 4.470 -0.000 0.000 0.238 28 S C 1.848 176.444 174.600 -0.008 0.000 1.010 28 S CA 1.094 59.204 58.200 -0.149 0.000 0.972 28 S CB -0.301 62.627 63.200 -0.453 0.000 0.774 28 S HN 0.858 nan 8.310 nan 0.000 0.501 29 A N 0.302 123.111 122.820 -0.017 0.000 2.178 29 A HA 0.126 4.446 4.320 -0.000 0.000 0.211 29 A C 2.031 179.650 177.584 0.058 0.000 1.157 29 A CA 0.928 53.008 52.037 0.071 0.000 0.780 29 A CB -0.259 18.780 19.000 0.064 0.000 0.828 29 A HN 0.416 nan 8.150 nan 0.000 0.476 30 T N -1.147 113.426 114.554 0.032 0.000 3.046 30 T HA 0.478 4.828 4.350 -0.000 0.000 0.242 30 T C 0.898 175.622 174.700 0.041 0.000 1.018 30 T CA 1.031 63.145 62.100 0.024 0.000 1.131 30 T CB 0.267 69.134 68.868 -0.001 0.000 0.904 30 T HN 1.420 nan 8.240 nan 0.000 0.459 31 G N 1.118 109.935 108.800 0.029 0.000 2.515 31 G HA2 0.069 4.029 3.960 -0.000 0.000 0.686 31 G HA3 0.069 4.029 3.960 -0.000 0.000 0.686 31 G C -0.362 174.406 174.900 -0.221 0.000 1.274 31 G CA -0.356 44.757 45.100 0.022 0.000 0.874 31 G HN 0.383 nan 8.290 nan 0.000 0.631 32 S N -0.913 114.448 115.700 -0.565 0.000 2.564 32 S HA 0.404 4.874 4.470 -0.000 0.000 0.278 32 S C 1.842 176.317 174.600 -0.208 0.000 1.333 32 S CA 0.636 58.554 58.200 -0.470 0.000 1.048 32 S CB 0.566 63.301 63.200 -0.775 0.000 0.900 32 S HN 1.174 nan 8.310 nan 0.000 0.505 33 R N 3.555 123.999 120.500 -0.094 0.000 2.276 33 R HA 0.119 4.459 4.340 -0.000 0.000 0.196 33 R C 1.168 177.542 176.300 0.124 0.000 0.961 33 R CA 0.575 56.704 56.100 0.048 0.000 1.024 33 R CB -0.095 30.281 30.300 0.127 0.000 0.940 33 R HN 0.870 nan 8.270 nan 0.000 0.480 34 W N -0.817 120.446 121.300 -0.061 0.000 2.413 34 W HA 0.380 5.040 4.660 -0.000 0.000 0.288 34 W C -0.742 175.741 176.519 -0.060 0.000 0.958 34 W CA -0.701 56.605 57.345 -0.065 0.000 1.333 34 W CB 0.053 29.443 29.460 -0.117 0.000 1.002 34 W HN -0.114 nan 8.180 nan 0.000 0.562 35 L N 4.247 125.092 121.223 -0.629 0.000 2.294 35 L HA 0.590 4.930 4.340 -0.000 0.000 0.283 35 L C -2.580 174.228 176.870 -0.104 0.000 1.015 35 L CA -2.210 52.337 54.840 -0.487 0.000 0.831 35 L CB 1.170 42.728 42.059 -0.835 0.000 1.217 35 L HN -0.380 nan 8.230 nan 0.000 0.420 36 P HA 0.115 nan 4.420 nan 0.000 0.265 36 P C -0.814 176.608 177.300 0.204 0.000 1.193 36 P CA -0.027 63.104 63.100 0.051 0.000 0.765 36 P CB 0.605 32.142 31.700 -0.272 0.000 0.823 37 S N 3.105 118.951 115.700 0.242 0.000 2.592 37 S HA 0.140 4.610 4.470 -0.000 0.000 0.271 37 S C 1.447 176.023 174.600 -0.041 0.000 1.326 37 S CA -0.574 57.620 58.200 -0.010 0.000 1.024 37 S CB -0.076 63.085 63.200 -0.066 0.000 0.921 37 S HN 0.503 nan 8.310 nan 0.000 0.527 38 I N -1.109 119.319 120.570 -0.237 0.000 3.010 38 I HA -0.047 4.123 4.170 -0.000 0.000 0.271 38 I C 0.723 176.622 176.117 -0.364 0.000 1.293 38 I CA 1.040 62.156 61.300 -0.306 0.000 1.452 38 I CB -0.672 37.023 38.000 -0.508 0.000 1.082 38 I HN 0.663 nan 8.210 nan 0.000 0.484 39 Y N 1.115 121.385 120.300 -0.050 0.000 2.457 39 Y HA 0.231 4.781 4.550 -0.000 0.000 0.263 39 Y C 1.798 177.721 175.900 0.038 0.000 1.164 39 Y CA -0.060 58.031 58.100 -0.015 0.000 1.274 39 Y CB 0.081 38.521 38.460 -0.032 0.000 1.097 39 Y HN 0.253 nan 8.280 nan 0.000 0.523 40 Q N -0.249 119.665 119.800 0.190 0.000 2.222 40 Q HA 0.135 4.475 4.340 -0.000 0.000 0.206 40 Q C 2.062 178.206 176.000 0.240 0.000 0.877 40 Q CA 0.218 56.159 55.803 0.230 0.000 0.958 40 Q CB 0.454 29.394 28.738 0.337 0.000 1.075 40 Q HN 0.571 nan 8.270 nan 0.000 0.483 41 G N 0.922 109.812 108.800 0.150 0.000 2.485 41 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.221 41 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.221 41 G C 1.223 176.173 174.900 0.083 0.000 1.115 41 G CA 0.828 45.998 45.100 0.117 0.000 0.751 41 G HN 0.499 nan 8.290 nan 0.000 0.567 42 G N 0.023 108.851 108.800 0.047 0.000 2.598 42 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.215 42 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.215 42 G C 1.342 176.165 174.900 -0.127 0.000 1.131 42 G CA 0.670 45.739 45.100 -0.050 0.000 0.785 42 G HN 0.537 nan 8.290 nan 0.000 0.539 43 N N -1.545 117.116 118.700 -0.065 0.000 2.205 43 N HA 0.238 4.978 4.740 -0.000 0.000 0.201 43 N C -0.821 174.490 175.510 -0.331 0.000 1.128 43 N CA -0.084 52.815 53.050 -0.252 0.000 0.867 43 N CB 0.531 38.864 38.487 -0.256 0.000 0.996 43 N HN 0.343 nan 8.380 nan 0.000 0.503 44 Y N -1.529 118.784 120.300 0.022 0.000 2.576 44 Y HA 0.392 4.942 4.550 0.000 0.000 0.346 44 Y C -1.026 174.939 175.900 0.108 0.000 1.018 44 Y CA -1.258 56.895 58.100 0.090 0.000 1.050 44 Y CB 1.230 39.726 38.460 0.061 0.000 1.280 44 Y HN 0.014 nan 8.280 nan 0.000 0.474 45 W N 2.808 124.209 121.300 0.168 0.000 1.890 45 W HA 0.567 5.227 4.660 -0.000 0.000 0.293 45 W C -0.389 176.186 176.519 0.094 0.000 0.895 45 W CA -1.503 55.899 57.345 0.095 0.000 1.968 45 W CB 0.684 30.206 29.460 0.104 0.000 2.198 45 W HN 0.614 nan 8.180 nan 0.000 0.401 46 G N 0.723 109.674 108.800 0.251 0.000 2.554 46 G HA2 0.378 4.338 3.960 -0.000 0.000 0.238 46 G HA3 0.378 4.338 3.960 -0.000 0.000 0.238 46 G C 0.624 175.671 174.900 0.245 0.000 1.259 46 G CA 0.231 45.386 45.100 0.093 0.000 0.843 46 G HN 0.593 nan 8.290 nan 0.000 0.582 47 G N -0.662 108.312 108.800 0.289 0.000 3.815 47 G HA2 0.618 4.578 3.960 -0.000 0.000 0.265 47 G HA3 0.618 4.578 3.960 -0.000 0.000 0.265 47 G C 0.342 175.303 174.900 0.101 0.000 1.026 47 G CA 0.775 46.014 45.100 0.232 0.000 0.868 47 G HN 1.505 nan 8.290 nan 0.000 0.476 48 G N -0.002 108.844 108.800 0.077 0.000 2.313 48 G HA2 0.434 4.394 3.960 -0.000 0.000 0.296 48 G HA3 0.434 4.394 3.960 -0.000 0.000 0.296 48 G C -3.224 171.510 174.900 -0.276 0.000 1.356 48 G CA -0.588 44.367 45.100 -0.241 0.000 0.833 48 G HN -0.076 nan 8.290 nan 0.000 0.552 49 P HA 0.130 nan 4.420 nan 0.000 0.249 49 P C -0.587 176.704 177.300 -0.014 0.000 1.737 49 P CA 0.634 63.551 63.100 -0.305 0.000 1.128 49 P CB 0.282 31.601 31.700 -0.635 0.000 1.942 50 Q N 1.829 121.621 119.800 -0.013 0.000 2.305 50 Q HA 0.658 4.998 4.340 -0.000 0.000 0.271 50 Q C -1.828 174.204 176.000 0.052 0.000 1.046 50 Q CA -0.818 55.031 55.803 0.078 0.000 0.798 50 Q CB 2.294 31.032 28.738 0.000 0.000 1.286 50 Q HN 0.317 nan 8.270 nan 0.000 0.435 51 A N 4.342 127.232 122.820 0.118 0.000 2.371 51 A HA 0.779 5.099 4.320 -0.000 0.000 0.311 51 A C -1.590 176.034 177.584 0.067 0.000 1.068 51 A CA -0.577 51.542 52.037 0.137 0.000 0.744 51 A CB 1.226 20.291 19.000 0.108 0.000 1.239 51 A HN 0.619 nan 8.150 nan 0.000 0.435 52 L N 1.696 122.883 121.223 -0.059 0.000 2.354 52 L HA 0.635 4.975 4.340 -0.000 0.000 0.264 52 L C -0.796 175.934 176.870 -0.234 0.000 1.008 52 L CA -0.464 54.145 54.840 -0.385 0.000 0.819 52 L CB 1.904 43.239 42.059 -1.207 0.000 1.339 52 L HN 1.022 nan 8.230 nan 0.000 0.420 53 H N 0.971 119.944 119.070 -0.161 0.000 2.954 53 H HA 0.724 5.280 4.556 0.000 0.000 0.361 53 H C -1.341 174.035 175.328 0.079 0.000 1.122 53 H CA -0.391 55.669 56.048 0.020 0.000 1.217 53 H CB 1.968 31.754 29.762 0.040 0.000 1.776 53 H HN 0.768 nan 8.280 nan 0.000 0.533 54 A N 4.594 127.135 122.820 -0.465 0.000 2.318 54 A HA 0.521 4.841 4.320 -0.000 0.000 0.317 54 A C -0.834 176.546 177.584 -0.340 0.000 1.159 54 A CA -0.747 51.139 52.037 -0.252 0.000 0.799 54 A CB 1.022 20.004 19.000 -0.029 0.000 1.194 54 A HN 0.758 nan 8.150 nan 0.000 0.479 55 Q N 0.907 120.649 119.800 -0.097 0.000 2.266 55 Q HA 0.588 4.928 4.340 -0.000 0.000 0.261 55 Q C -1.017 175.122 176.000 0.231 0.000 0.985 55 Q CA -0.846 55.008 55.803 0.086 0.000 0.873 55 Q CB 2.633 31.492 28.738 0.201 0.000 1.306 55 Q HN 0.509 nan 8.270 nan 0.000 0.447 56 V N 1.646 121.683 119.914 0.205 0.000 2.398 56 V HA 0.247 4.367 4.120 -0.000 0.000 0.286 56 V C 0.087 176.220 176.094 0.065 0.000 1.026 56 V CA -0.461 61.930 62.300 0.152 0.000 0.868 56 V CB 1.483 33.364 31.823 0.097 0.000 0.982 56 V HN 0.778 nan 8.190 nan 0.000 0.443 57 S N 4.773 120.347 115.700 -0.210 0.000 2.603 57 S HA 0.267 4.737 4.470 -0.000 0.000 0.268 57 S C 0.307 174.839 174.600 -0.113 0.000 1.317 57 S CA -0.643 57.192 58.200 -0.608 0.000 1.012 57 S CB 0.429 62.855 63.200 -1.290 0.000 0.926 57 S HN 0.786 nan 8.310 nan 0.000 0.539 58 N N 1.696 120.337 118.700 -0.098 0.000 2.453 58 N HA 0.367 5.107 4.740 -0.000 0.000 0.253 58 N C -0.482 175.092 175.510 0.108 0.000 1.252 58 N CA 0.538 53.597 53.050 0.015 0.000 0.917 58 N CB 0.354 38.803 38.487 -0.063 0.000 1.117 58 N HN 0.629 nan 8.380 nan 0.000 0.442 59 F N -1.322 118.576 119.950 -0.086 0.000 2.789 59 F HA 0.609 5.136 4.527 -0.000 0.000 0.319 59 F C -1.004 174.768 175.800 -0.046 0.000 1.168 59 F CA -1.099 56.859 58.000 -0.071 0.000 0.934 59 F CB 1.324 40.286 39.000 -0.063 0.000 1.375 59 F HN 0.373 nan 8.300 nan 0.000 0.480 60 D N -1.492 118.947 120.400 0.065 0.000 2.921 60 D HA 0.224 4.864 4.640 -0.000 0.000 0.329 60 D C 0.128 176.498 176.300 0.117 0.000 1.293 60 D CA -0.032 53.949 54.000 -0.031 0.000 0.964 60 D CB 0.582 41.347 40.800 -0.058 0.000 1.435 60 D HN 0.581 nan 8.370 nan 0.000 0.548 61 S N -1.137 114.604 115.700 0.069 0.000 2.595 61 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 61 S C 1.438 176.053 174.600 0.026 0.000 0.974 61 S CA 1.053 59.315 58.200 0.103 0.000 0.942 61 S CB -0.912 62.347 63.200 0.099 0.000 0.766 61 S HN 0.593 nan 8.310 nan 0.000 0.536 62 S N 0.827 116.527 115.700 -0.000 0.000 2.524 62 S HA 0.156 4.626 4.470 -0.000 0.000 0.216 62 S C 0.211 174.770 174.600 -0.068 0.000 0.987 62 S CA -0.445 57.719 58.200 -0.061 0.000 0.909 62 S CB -0.699 62.478 63.200 -0.038 0.000 0.781 62 S HN 0.530 nan 8.310 nan 0.000 0.521 63 N N 2.484 121.184 118.700 0.001 0.000 2.807 63 N HA 0.298 5.038 4.740 -0.000 0.000 0.259 63 N C -0.609 174.876 175.510 -0.041 0.000 1.149 63 N CA -0.204 52.844 53.050 -0.003 0.000 1.042 63 N CB 0.466 38.995 38.487 0.069 0.000 1.367 63 N HN 0.354 nan 8.380 nan 0.000 0.516 64 R N 0.969 121.391 120.500 -0.131 0.000 2.604 64 R HA 0.524 4.864 4.340 -0.000 0.000 0.287 64 R C -0.924 175.312 176.300 -0.106 0.000 0.970 64 R CA -1.058 54.941 56.100 -0.168 0.000 0.946 64 R CB 1.509 31.469 30.300 -0.567 0.000 1.127 64 R HN 0.211 nan 8.270 nan 0.000 0.473 65 L N 3.647 124.858 121.223 -0.019 0.000 2.353 65 L HA 0.442 4.782 4.340 -0.000 0.000 0.270 65 L C -2.607 174.302 176.870 0.065 0.000 1.003 65 L CA -2.063 52.735 54.840 -0.070 0.000 0.862 65 L CB 1.444 43.381 42.059 -0.203 0.000 1.221 65 L HN 0.398 nan 8.230 nan 0.000 0.430 66 P HA -0.012 nan 4.420 nan 0.000 0.268 66 P C -1.474 175.895 177.300 0.115 0.000 1.205 66 P CA 0.145 63.321 63.100 0.126 0.000 0.771 66 P CB 0.142 31.877 31.700 0.058 0.000 0.858 67 Y N 3.720 124.041 120.300 0.036 0.000 2.674 67 Y HA 0.183 4.733 4.550 -0.000 0.000 0.354 67 Y C 0.132 175.932 175.900 -0.167 0.000 1.089 67 Y CA -0.066 57.956 58.100 -0.130 0.000 1.444 67 Y CB -0.597 37.716 38.460 -0.245 0.000 1.187 67 Y HN 0.214 nan 8.280 nan 0.000 0.523 68 N N 8.743 127.089 118.700 -0.590 0.000 2.804 68 N HA 0.279 5.019 4.740 -0.000 0.000 0.251 68 N C -3.256 171.895 175.510 -0.598 0.000 1.250 68 N CA -2.417 50.372 53.050 -0.435 0.000 0.820 68 N CB 1.217 39.597 38.487 -0.178 0.000 1.156 68 N HN 0.248 nan 8.380 nan 0.000 0.512 69 P HA 0.089 nan 4.420 nan 0.000 0.271 69 P C -0.488 176.641 177.300 -0.285 0.000 1.220 69 P CA -0.170 62.556 63.100 -0.624 0.000 0.768 69 P CB 0.965 32.318 31.700 -0.578 0.000 0.848 70 R N 2.981 123.345 120.500 -0.226 0.000 2.196 70 R HA 0.407 4.747 4.340 -0.000 0.000 0.340 70 R C 0.043 176.296 176.300 -0.079 0.000 1.043 70 R CA -0.025 56.004 56.100 -0.119 0.000 0.883 70 R CB 0.161 30.404 30.300 -0.094 0.000 1.078 70 R HN 0.628 nan 8.270 nan 0.000 0.462 71 T N -0.628 113.899 114.554 -0.044 0.000 2.778 71 T HA 0.332 4.681 4.350 -0.000 0.000 0.293 71 T C 1.198 175.897 174.700 -0.002 0.000 1.144 71 T CA -0.162 61.929 62.100 -0.016 0.000 1.010 71 T CB 1.258 70.126 68.868 -0.001 0.000 1.325 71 T HN 0.424 nan 8.240 nan 0.000 0.515 72 E N 0.689 120.893 120.200 0.007 0.000 2.085 72 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 72 E C 1.595 178.203 176.600 0.013 0.000 0.994 72 E CA 2.209 58.615 56.400 0.011 0.000 0.801 72 E CB -1.389 28.319 29.700 0.013 0.000 0.743 72 E HN 0.824 nan 8.360 nan 0.000 0.453 73 N N -0.363 118.348 118.700 0.018 0.000 2.463 73 N HA 0.055 4.795 4.740 -0.000 0.000 0.181 73 N C 0.571 176.096 175.510 0.026 0.000 1.078 73 N CA 0.792 53.856 53.050 0.025 0.000 0.902 73 N CB 0.405 38.912 38.487 0.033 0.000 0.970 73 N HN 0.351 nan 8.380 nan 0.000 0.451 74 N N -0.080 118.629 118.700 0.015 0.000 2.711 74 N HA 0.177 4.917 4.740 -0.000 0.000 0.263 74 N C -2.299 173.206 175.510 -0.009 0.000 1.667 74 N CA -1.705 51.350 53.050 0.009 0.000 0.785 74 N CB 0.965 39.458 38.487 0.011 0.000 1.231 74 N HN -0.132 nan 8.380 nan 0.000 0.503 75 P HA -0.043 nan 4.420 nan 0.000 0.226 75 P C 0.590 177.885 177.300 -0.008 0.000 1.153 75 P CA 0.664 63.760 63.100 -0.005 0.000 0.777 75 P CB 0.357 32.058 31.700 0.002 0.000 0.794 76 A N -0.160 122.656 122.820 -0.007 0.000 2.275 76 A HA 0.400 4.720 4.320 -0.000 0.000 0.212 76 A C 1.346 178.921 177.584 -0.015 0.000 1.201 76 A CA 0.084 52.118 52.037 -0.005 0.000 0.843 76 A CB -0.860 18.140 19.000 0.001 0.000 0.873 76 A HN 0.279 nan 8.150 nan 0.000 0.492 77 G N 0.161 108.938 108.800 -0.037 0.000 2.572 77 G HA2 0.325 4.285 3.960 -0.000 0.000 0.261 77 G HA3 0.325 4.285 3.960 -0.000 0.000 0.261 77 G C 0.340 175.203 174.900 -0.062 0.000 1.197 77 G CA -0.009 45.047 45.100 -0.073 0.000 0.870 77 G HN 0.632 nan 8.290 nan 0.000 0.548 78 N N -1.661 117.001 118.700 -0.063 0.000 2.200 78 N HA 0.117 4.857 4.740 -0.000 0.000 0.224 78 N C -0.318 175.209 175.510 0.028 0.000 1.179 78 N CA -0.495 52.573 53.050 0.030 0.000 0.877 78 N CB 0.480 39.063 38.487 0.161 0.000 1.072 78 N HN 0.223 nan 8.380 nan 0.000 0.519 79 C N 0.622 119.793 119.300 -0.214 0.000 2.355 79 C HA 0.725 5.185 4.460 -0.000 0.000 0.332 79 C C 1.207 175.915 174.990 -0.471 0.000 1.255 79 C CA -0.511 58.253 59.018 -0.424 0.000 1.792 79 C CB 0.898 28.116 27.740 -0.872 0.000 2.300 79 C HN 0.561 nan 8.230 nan 0.000 0.515 80 A N 1.813 124.351 122.820 -0.469 0.000 2.382 80 A HA 0.416 4.736 4.320 -0.000 0.000 0.228 80 A C 0.326 177.778 177.584 -0.220 0.000 1.217 80 A CA -0.066 51.711 52.037 -0.433 0.000 0.923 80 A CB -0.042 18.426 19.000 -0.887 0.000 0.979 80 A HN 0.821 nan 8.150 nan 0.000 0.515 81 F N -1.276 118.682 119.950 0.013 0.000 2.370 81 F HA 0.789 5.316 4.527 -0.000 0.000 0.324 81 F C 0.407 176.333 175.800 0.211 0.000 1.116 81 F CA -1.488 56.596 58.000 0.140 0.000 1.123 81 F CB 0.401 39.493 39.000 0.154 0.000 1.238 81 F HN 0.057 nan 8.300 nan 0.000 0.536 82 A N 2.467 125.529 122.820 0.403 0.000 2.340 82 A HA 0.636 4.956 4.320 -0.000 0.000 0.268 82 A C -1.366 176.418 177.584 0.332 0.000 1.100 82 A CA -0.247 51.968 52.037 0.297 0.000 0.803 82 A CB 0.188 19.320 19.000 0.219 0.000 1.043 82 A HN 0.859 nan 8.150 nan 0.000 0.488 83 F N 1.372 121.283 119.950 -0.065 0.000 2.670 83 F HA 0.416 4.943 4.527 -0.000 0.000 0.332 83 F C -1.462 174.233 175.800 -0.175 0.000 1.179 83 F CA -1.298 56.527 58.000 -0.292 0.000 1.076 83 F CB 1.313 39.767 39.000 -0.910 0.000 1.322 83 F HN 0.543 nan 8.300 nan 0.000 0.515 84 N N 6.958 125.366 118.700 -0.487 0.000 2.791 84 N HA 0.321 5.061 4.740 -0.000 0.000 0.265 84 N C -2.925 172.364 175.510 -0.369 0.000 1.580 84 N CA -1.184 51.650 53.050 -0.359 0.000 0.809 84 N CB 1.409 39.862 38.487 -0.056 0.000 1.178 84 N HN 0.250 nan 8.380 nan 0.000 0.499 85 P HA 0.236 nan 4.420 nan 0.000 0.272 85 P C -0.837 176.611 177.300 0.246 0.000 1.223 85 P CA -0.147 62.727 63.100 -0.378 0.000 0.784 85 P CB 0.725 31.937 31.700 -0.813 0.000 0.923 86 F N -1.516 118.543 119.950 0.182 0.000 2.773 86 F HA 0.805 5.332 4.527 -0.000 0.000 0.314 86 F C -0.790 175.155 175.800 0.243 0.000 1.160 86 F CA -0.518 57.637 58.000 0.257 0.000 0.920 86 F CB 1.012 40.061 39.000 0.082 0.000 1.323 86 F HN 0.702 nan 8.300 nan 0.000 0.457 87 G N 0.497 109.540 108.800 0.405 0.000 2.428 87 G HA2 0.568 4.528 3.960 -0.000 0.000 0.305 87 G HA3 0.568 4.528 3.960 -0.000 0.000 0.305 87 G C -2.393 172.459 174.900 -0.078 0.000 1.260 87 G CA -0.839 44.170 45.100 -0.152 0.000 0.853 87 G HN 0.893 nan 8.290 nan 0.000 0.480 88 Q N -1.416 118.047 119.800 -0.562 0.000 2.534 88 Q HA 0.434 4.774 4.340 -0.000 0.000 0.290 88 Q C -1.992 173.811 176.000 -0.330 0.000 0.991 88 Q CA -0.798 54.897 55.803 -0.180 0.000 0.783 88 Q CB 2.831 31.562 28.738 -0.012 0.000 1.470 88 Q HN 0.538 nan 8.270 nan 0.000 0.406 89 Y N 1.072 121.463 120.300 0.152 0.000 2.404 89 Y HA 0.291 4.841 4.550 -0.000 0.000 0.344 89 Y C -0.119 175.952 175.900 0.286 0.000 0.970 89 Y CA -0.807 57.430 58.100 0.229 0.000 1.180 89 Y CB 0.817 39.451 38.460 0.289 0.000 1.138 89 Y HN 0.334 nan 8.280 nan 0.000 0.510 90 I N 3.068 123.827 120.570 0.314 0.000 2.416 90 I HA 0.038 4.208 4.170 -0.000 0.000 0.288 90 I C 0.488 176.791 176.117 0.308 0.000 1.051 90 I CA 0.082 61.510 61.300 0.212 0.000 1.375 90 I CB 1.182 39.228 38.000 0.078 0.000 1.407 90 I HN 0.463 nan 8.210 nan 0.000 0.516 91 S N 8.191 123.968 115.700 0.128 0.000 2.475 91 S HA 0.549 5.019 4.470 -0.000 0.000 0.281 91 S C -0.287 174.282 174.600 -0.052 0.000 1.198 91 S CA -0.546 57.652 58.200 -0.002 0.000 1.063 91 S CB 0.237 63.174 63.200 -0.439 0.000 0.972 91 S HN 0.900 nan 8.310 nan 0.000 0.486 92 N N 3.147 121.764 118.700 -0.139 0.000 3.116 92 N HA 0.163 4.903 4.740 -0.000 0.000 0.244 92 N C 0.515 175.712 175.510 -0.523 0.000 1.485 92 N CA -0.898 51.726 53.050 -0.711 0.000 0.884 92 N CB 0.324 38.600 38.487 -0.352 0.000 1.415 92 N HN 0.408 nan 8.380 nan 0.000 0.524 93 I N 1.261 121.474 120.570 -0.594 0.000 2.185 93 I HA -0.283 3.887 4.170 -0.000 0.000 0.246 93 I C 2.362 178.488 176.117 0.015 0.000 1.088 93 I CA 1.954 63.217 61.300 -0.063 0.000 1.347 93 I CB -0.460 37.528 38.000 -0.020 0.000 1.041 93 I HN 0.738 nan 8.210 nan 0.000 0.415 94 S N -0.492 115.195 115.700 -0.021 0.000 2.345 94 S HA -0.162 4.308 4.470 -0.000 0.000 0.220 94 S C 2.284 176.917 174.600 0.055 0.000 1.031 94 S CA 1.803 60.014 58.200 0.019 0.000 0.996 94 S CB -0.660 62.547 63.200 0.012 0.000 0.882 94 S HN 0.756 nan 8.310 nan 0.000 0.445 95 S N 1.466 117.227 115.700 0.101 0.000 2.406 95 S HA 0.171 4.641 4.470 -0.000 0.000 0.228 95 S C 2.083 176.791 174.600 0.180 0.000 1.020 95 S CA 0.920 59.215 58.200 0.158 0.000 0.965 95 S CB -0.761 62.614 63.200 0.291 0.000 0.798 95 S HN 0.631 nan 8.310 nan 0.000 0.488 96 A N 1.541 124.504 122.820 0.239 0.000 1.898 96 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 96 A C 2.317 179.788 177.584 -0.189 0.000 1.181 96 A CA 1.751 53.803 52.037 0.024 0.000 0.620 96 A CB -1.019 18.038 19.000 0.096 0.000 0.819 96 A HN 0.515 nan 8.150 nan 0.000 0.442 97 Q N 0.237 120.015 119.800 -0.037 0.000 2.061 97 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 97 Q C 2.327 178.334 176.000 0.011 0.000 0.984 97 Q CA 2.375 58.175 55.803 -0.006 0.000 0.846 97 Q CB -0.418 28.333 28.738 0.022 0.000 0.902 97 Q HN 0.593 nan 8.270 nan 0.000 0.421 98 S N -1.013 114.682 115.700 -0.008 0.000 2.348 98 S HA -0.132 4.338 4.470 -0.000 0.000 0.221 98 S C 1.932 176.482 174.600 -0.084 0.000 1.033 98 S CA 1.284 59.466 58.200 -0.031 0.000 1.010 98 S CB -0.500 62.689 63.200 -0.018 0.000 0.891 98 S HN 0.264 nan 8.310 nan 0.000 0.442 99 V N 1.931 121.773 119.914 -0.120 0.000 2.332 99 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 99 V C 2.323 178.409 176.094 -0.012 0.000 1.055 99 V CA 1.979 64.198 62.300 -0.134 0.000 1.038 99 V CB -0.790 30.937 31.823 -0.160 0.000 0.651 99 V HN 0.624 nan 8.190 nan 0.000 0.450 100 H N 0.811 119.834 119.070 -0.078 0.000 2.293 100 H HA -0.140 4.416 4.556 -0.000 0.000 0.300 100 H C 2.550 177.973 175.328 0.159 0.000 1.082 100 H CA 2.041 58.176 56.048 0.145 0.000 1.308 100 H CB 0.135 29.926 29.762 0.047 0.000 1.375 100 H HN 0.339 nan 8.280 nan 0.000 0.495 101 R N -0.089 120.447 120.500 0.059 0.000 2.189 101 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 101 R C 2.527 178.784 176.300 -0.071 0.000 1.092 101 R CA 0.410 56.504 56.100 -0.010 0.000 0.989 101 R CB 0.098 30.409 30.300 0.019 0.000 0.876 101 R HN 0.186 nan 8.270 nan 0.000 0.457 102 R N 1.581 121.991 120.500 -0.150 0.000 2.090 102 R HA 0.008 4.348 4.340 -0.000 0.000 0.219 102 R C 2.189 178.320 176.300 -0.282 0.000 1.100 102 R CA 1.052 56.980 56.100 -0.286 0.000 0.991 102 R CB -0.042 29.915 30.300 -0.573 0.000 0.893 102 R HN 0.326 nan 8.270 nan 0.000 0.443 103 I N -2.492 117.941 120.570 -0.229 0.000 2.546 103 I HA -0.118 4.052 4.170 -0.000 0.000 0.255 103 I C 0.975 176.958 176.117 -0.222 0.000 1.163 103 I CA 1.187 62.367 61.300 -0.199 0.000 1.457 103 I CB -0.459 37.471 38.000 -0.118 0.000 1.092 103 I HN -0.067 nan 8.210 nan 0.000 0.434 104 Y N 2.407 122.600 120.300 -0.179 0.000 2.490 104 Y HA 0.340 4.890 4.550 -0.000 0.000 0.281 104 Y C 1.918 177.748 175.900 -0.116 0.000 1.174 104 Y CA 0.489 58.495 58.100 -0.157 0.000 1.295 104 Y CB 0.117 38.425 38.460 -0.255 0.000 1.062 104 Y HN 0.433 nan 8.280 nan 0.000 0.522 105 G N 0.371 109.162 108.800 -0.015 0.000 2.153 105 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.252 105 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.252 105 G C 1.025 175.921 174.900 -0.006 0.000 0.994 105 G CA 0.727 45.813 45.100 -0.024 0.000 0.698 105 G HN 0.505 nan 8.290 nan 0.000 0.521 106 I N -0.601 119.969 120.570 -0.001 0.000 2.252 106 I HA 0.074 4.244 4.170 -0.000 0.000 0.245 106 I C 0.903 177.014 176.117 -0.011 0.000 1.102 106 I CA 1.438 62.738 61.300 -0.000 0.000 1.385 106 I CB 0.102 38.103 38.000 0.001 0.000 1.064 106 I HN 0.236 nan 8.210 nan 0.000 0.414 107 D N -0.260 120.123 120.400 -0.029 0.000 2.738 107 D HA 0.198 4.838 4.640 -0.000 0.000 0.218 107 D C 0.146 176.412 176.300 -0.057 0.000 1.345 107 D CA -0.297 53.684 54.000 -0.032 0.000 0.943 107 D CB 1.748 42.535 40.800 -0.021 0.000 1.514 107 D HN -0.042 nan 8.370 nan 0.000 0.585 108 L N 2.880 124.073 121.223 -0.050 0.000 2.599 108 L HA 0.133 4.473 4.340 -0.000 0.000 0.230 108 L C 1.397 178.241 176.870 -0.044 0.000 1.141 108 L CA 0.443 55.245 54.840 -0.063 0.000 0.877 108 L CB -0.193 41.841 42.059 -0.041 0.000 1.009 108 L HN 0.253 nan 8.230 nan 0.000 0.447 109 N N -1.032 117.651 118.700 -0.029 0.000 2.353 109 N HA -0.016 4.724 4.740 -0.000 0.000 0.185 109 N C -0.249 175.258 175.510 -0.005 0.000 1.098 109 N CA -0.160 52.885 53.050 -0.009 0.000 0.872 109 N CB 0.284 38.766 38.487 -0.010 0.000 0.970 109 N HN 0.186 nan 8.380 nan 0.000 0.467 110 D N 1.559 121.936 120.400 -0.037 0.000 2.389 110 D HA 0.138 4.778 4.640 -0.000 0.000 0.247 110 D C -0.174 176.100 176.300 -0.043 0.000 1.128 110 D CA 0.619 54.596 54.000 -0.039 0.000 0.884 110 D CB 0.781 41.544 40.800 -0.062 0.000 1.194 110 D HN 0.152 nan 8.370 nan 0.000 0.441 111 E N 2.043 122.264 120.200 0.035 0.000 2.347 111 E HA 0.259 4.609 4.350 -0.000 0.000 0.285 111 E C -2.875 173.796 176.600 0.119 0.000 0.925 111 E CA -1.855 54.626 56.400 0.135 0.000 0.779 111 E CB 2.064 31.915 29.700 0.252 0.000 1.233 111 E HN 0.116 nan 8.360 nan 0.000 0.414 112 P HA 0.134 nan 4.420 nan 0.000 0.274 112 P C -0.699 176.763 177.300 0.269 0.000 1.231 112 P CA -0.620 62.516 63.100 0.061 0.000 0.790 112 P CB 0.877 32.456 31.700 -0.201 0.000 0.951 113 L N 3.179 124.577 121.223 0.292 0.000 2.305 113 L HA 0.379 4.719 4.340 -0.000 0.000 0.281 113 L C -0.267 176.843 176.870 0.400 0.000 1.085 113 L CA -0.623 54.416 54.840 0.331 0.000 0.813 113 L CB -0.217 41.962 42.059 0.200 0.000 1.157 113 L HN 0.189 nan 8.230 nan 0.000 0.436 114 F N 3.552 123.572 119.950 0.115 0.000 2.399 114 F HA 0.376 4.903 4.527 -0.000 0.000 0.342 114 F C 0.348 175.969 175.800 -0.299 0.000 1.106 114 F CA -0.035 57.738 58.000 -0.378 0.000 1.196 114 F CB 0.936 39.540 39.000 -0.660 0.000 1.163 114 F HN 0.495 nan 8.300 nan 0.000 0.547 115 S N 7.736 122.779 115.700 -1.096 0.000 2.528 115 S HA 0.318 4.788 4.470 -0.000 0.000 0.303 115 S C -2.537 171.450 174.600 -1.022 0.000 1.123 115 S CA -1.177 56.562 58.200 -0.768 0.000 1.138 115 S CB 0.560 63.506 63.200 -0.425 0.000 0.984 115 S HN 0.407 nan 8.310 nan 0.000 0.474 116 P HA 0.107 nan 4.420 nan 0.000 0.272 116 P C -0.644 176.427 177.300 -0.382 0.000 1.230 116 P CA -0.528 62.296 63.100 -0.460 0.000 0.788 116 P CB 0.489 32.147 31.700 -0.070 0.000 0.949 117 N N 0.730 119.135 118.700 -0.491 0.000 2.415 117 N HA 0.276 5.016 4.740 -0.000 0.000 0.246 117 N C 1.407 176.720 175.510 -0.327 0.000 1.078 117 N CA -0.271 52.448 53.050 -0.552 0.000 0.942 117 N CB 0.422 38.131 38.487 -1.296 0.000 1.140 117 N HN 0.329 nan 8.380 nan 0.000 0.501 118 A N 4.109 126.819 122.820 -0.182 0.000 1.903 118 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 118 A C 2.173 179.716 177.584 -0.069 0.000 1.191 118 A CA 2.163 54.145 52.037 -0.091 0.000 0.638 118 A CB -1.349 17.613 19.000 -0.063 0.000 0.823 118 A HN 0.804 nan 8.150 nan 0.000 0.451 119 A N -0.068 122.708 122.820 -0.074 0.000 2.019 119 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 119 A C 2.422 180.007 177.584 0.001 0.000 1.164 119 A CA 2.188 54.211 52.037 -0.023 0.000 0.644 119 A CB -0.864 18.140 19.000 0.006 0.000 0.805 119 A HN 1.105 nan 8.150 nan 0.000 0.449 120 S N -0.443 115.220 115.700 -0.061 0.000 2.453 120 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 120 S C 1.677 176.345 174.600 0.113 0.000 1.005 120 S CA 1.045 59.246 58.200 0.003 0.000 0.949 120 S CB -0.350 62.758 63.200 -0.154 0.000 0.774 120 S HN 0.363 nan 8.310 nan 0.000 0.510 121 I N 2.194 122.817 120.570 0.088 0.000 2.339 121 I HA -0.037 4.133 4.170 -0.000 0.000 0.245 121 I C 2.494 178.648 176.117 0.062 0.000 1.096 121 I CA 1.147 62.553 61.300 0.175 0.000 1.408 121 I CB -2.089 35.983 38.000 0.120 0.000 1.092 121 I HN 0.297 nan 8.210 nan 0.000 0.423 122 T N 0.871 115.434 114.554 0.015 0.000 2.803 122 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 122 T C 1.155 175.840 174.700 -0.024 0.000 1.052 122 T CA 1.270 63.354 62.100 -0.027 0.000 1.136 122 T CB -0.541 68.314 68.868 -0.021 0.000 0.864 122 T HN 0.437 nan 8.240 nan 0.000 0.467 123 N N 0.044 118.770 118.700 0.044 0.000 2.725 123 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 123 N C 0.712 176.236 175.510 0.023 0.000 1.103 123 N CA 0.320 53.414 53.050 0.074 0.000 0.707 123 N CB -1.254 37.269 38.487 0.060 0.000 1.043 123 N HN 0.675 nan 8.380 nan 0.000 0.553 124 G N -0.817 107.991 108.800 0.013 0.000 2.233 124 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.270 124 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.270 124 G C 1.027 175.907 174.900 -0.035 0.000 1.011 124 G CA 1.012 46.112 45.100 -0.000 0.000 0.762 124 G HN 1.613 nan 8.290 nan 0.000 0.511 125 G N -0.837 107.927 108.800 -0.061 0.000 2.258 125 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.274 125 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.274 125 G C 0.219 175.044 174.900 -0.125 0.000 1.021 125 G CA 0.980 46.022 45.100 -0.097 0.000 0.798 125 G HN 1.826 nan 8.290 nan 0.000 0.507 126 N N 0.345 118.974 118.700 -0.119 0.000 2.723 126 N HA 0.377 5.117 4.740 -0.000 0.000 0.290 126 N C -2.246 173.149 175.510 -0.190 0.000 1.882 126 N CA -1.438 51.531 53.050 -0.135 0.000 0.851 126 N CB 1.751 40.206 38.487 -0.054 0.000 1.234 126 N HN 0.297 nan 8.380 nan 0.000 0.491 127 P HA 0.314 nan 4.420 nan 0.000 0.286 127 P C -0.645 176.468 177.300 -0.313 0.000 1.292 127 P CA -0.332 62.542 63.100 -0.377 0.000 0.842 127 P CB 1.048 32.417 31.700 -0.551 0.000 1.207 128 T N 2.310 116.713 114.554 -0.250 0.000 2.799 128 T HA 0.233 4.583 4.350 -0.000 0.000 0.296 128 T C 0.630 175.147 174.700 -0.305 0.000 0.947 128 T CA 0.113 62.081 62.100 -0.220 0.000 1.141 128 T CB -0.354 68.422 68.868 -0.153 0.000 0.891 128 T HN 0.209 nan 8.240 nan 0.000 0.533 129 M N 2.303 121.678 119.600 -0.375 0.000 2.471 129 M HA 0.475 4.955 4.480 -0.000 0.000 0.309 129 M C 0.373 176.430 176.300 -0.405 0.000 1.186 129 M CA -0.579 54.407 55.300 -0.524 0.000 1.008 129 M CB 1.371 33.377 32.600 -0.990 0.000 1.551 129 M HN 0.407 nan 8.290 nan 0.000 0.477 130 S N 0.555 115.915 115.700 -0.567 0.000 2.542 130 S HA 0.526 4.996 4.470 -0.000 0.000 0.293 130 S C -0.767 173.519 174.600 -0.524 0.000 1.089 130 S CA -0.834 56.983 58.200 -0.637 0.000 0.961 130 S CB 2.019 64.532 63.200 -1.145 0.000 1.062 130 S HN 0.503 nan 8.310 nan 0.000 0.483 131 Q N 1.390 121.037 119.800 -0.255 0.000 2.257 131 Q HA 0.287 4.627 4.340 -0.000 0.000 0.255 131 Q C -0.988 174.934 176.000 -0.131 0.000 0.920 131 Q CA -0.536 55.154 55.803 -0.188 0.000 0.927 131 Q CB 0.970 29.666 28.738 -0.070 0.000 1.229 131 Q HN 0.441 nan 8.270 nan 0.000 0.433 132 D N 1.867 122.205 120.400 -0.104 0.000 2.453 132 D HA 0.005 4.645 4.640 -0.000 0.000 0.223 132 D C 0.556 176.874 176.300 0.030 0.000 1.183 132 D CA -0.094 53.976 54.000 0.116 0.000 0.933 132 D CB 0.658 41.530 40.800 0.121 0.000 1.038 132 D HN 0.627 nan 8.370 nan 0.000 0.513 133 T N -0.284 114.306 114.554 0.060 0.000 3.163 133 T HA 0.044 4.394 4.350 -0.000 0.000 0.260 133 T C 1.628 176.378 174.700 0.083 0.000 1.156 133 T CA 0.292 62.431 62.100 0.064 0.000 1.072 133 T CB 0.162 69.069 68.868 0.065 0.000 0.937 133 T HN 0.273 nan 8.240 nan 0.000 0.528 134 G N -0.445 108.412 108.800 0.096 0.000 2.838 134 G HA2 0.025 3.985 3.960 -0.000 0.000 0.210 134 G HA3 0.025 3.985 3.960 -0.000 0.000 0.210 134 G C 0.991 175.962 174.900 0.119 0.000 1.153 134 G CA -0.186 44.962 45.100 0.080 0.000 0.778 134 G HN 0.483 nan 8.290 nan 0.000 0.539 135 Y N 0.838 121.135 120.300 -0.005 0.000 2.181 135 Y HA 0.023 4.573 4.550 -0.000 0.000 0.288 135 Y C 0.897 176.857 175.900 0.100 0.000 1.146 135 Y CA 1.171 59.276 58.100 0.007 0.000 1.164 135 Y CB 0.018 38.436 38.460 -0.070 0.000 0.982 135 Y HN 0.283 nan 8.280 nan 0.000 0.515 136 H N 0.004 119.008 119.070 -0.110 0.000 3.064 136 H HA 0.255 4.811 4.556 -0.000 0.000 0.352 136 H C -1.579 173.723 175.328 -0.043 0.000 1.260 136 H CA -0.595 55.340 56.048 -0.189 0.000 1.160 136 H CB 1.293 30.861 29.762 -0.324 0.000 1.879 136 H HN 0.339 nan 8.280 nan 0.000 0.544 137 N N 3.992 122.369 118.700 -0.538 0.000 2.235 137 N HA 0.258 4.998 4.740 -0.000 0.000 0.293 137 N C -1.163 174.164 175.510 -0.306 0.000 1.083 137 N CA -0.648 52.243 53.050 -0.264 0.000 0.801 137 N CB 2.501 40.894 38.487 -0.157 0.000 1.559 137 N HN 0.426 nan 8.380 nan 0.000 0.472 138 I N 1.780 122.308 120.570 -0.070 0.000 2.412 138 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 138 I C 1.172 177.286 176.117 -0.005 0.000 1.063 138 I CA -0.147 61.153 61.300 0.000 0.000 1.193 138 I CB 0.385 38.447 38.000 0.103 0.000 1.370 138 I HN 1.007 nan 8.210 nan 0.000 0.479 139 G N 7.788 116.568 108.800 -0.033 0.000 2.527 139 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.268 139 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.268 139 G C -1.650 173.237 174.900 -0.022 0.000 1.175 139 G CA 0.033 45.121 45.100 -0.020 0.000 0.962 139 G HN 0.476 nan 8.290 nan 0.000 0.560 140 P HA 0.216 nan 4.420 nan 0.000 0.245 140 P C 0.688 177.990 177.300 0.004 0.000 1.212 140 P CA 0.539 63.636 63.100 -0.004 0.000 0.774 140 P CB 0.060 31.761 31.700 0.002 0.000 0.999 141 I N 0.967 121.544 120.570 0.013 0.000 2.342 141 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 141 I C 0.160 176.297 176.117 0.034 0.000 1.010 141 I CA -0.678 60.642 61.300 0.032 0.000 1.308 141 I CB 0.477 38.509 38.000 0.053 0.000 1.400 141 I HN -0.201 nan 8.210 nan 0.000 0.488 142 N N 3.723 122.448 118.700 0.042 0.000 2.518 142 N HA 0.499 5.239 4.740 -0.000 0.000 0.283 142 N C -0.416 175.152 175.510 0.097 0.000 1.119 142 N CA -0.275 52.804 53.050 0.049 0.000 0.983 142 N CB 1.517 40.029 38.487 0.041 0.000 1.139 142 N HN 0.536 nan 8.380 nan 0.000 0.465 143 T N -0.838 113.792 114.554 0.127 0.000 2.894 143 T HA 0.589 4.939 4.350 -0.000 0.000 0.309 143 T C -0.365 174.421 174.700 0.143 0.000 1.208 143 T CA -0.636 61.580 62.100 0.193 0.000 1.016 143 T CB 1.184 70.234 68.868 0.303 0.000 1.192 143 T HN 0.431 nan 8.240 nan 0.000 0.491 144 A N 2.443 125.251 122.820 -0.019 0.000 2.307 144 A HA 0.442 4.762 4.320 -0.000 0.000 0.218 144 A C -0.489 176.689 177.584 -0.676 0.000 1.228 144 A CA 0.240 52.049 52.037 -0.380 0.000 0.857 144 A CB -0.362 18.208 19.000 -0.718 0.000 0.897 144 A HN 0.694 nan 8.150 nan 0.000 0.495 145 Y N -0.834 119.565 120.300 0.165 0.000 2.485 145 Y HA 0.601 5.151 4.550 -0.000 0.000 0.345 145 Y C 0.104 176.043 175.900 0.064 0.000 0.998 145 Y CA -1.026 57.138 58.100 0.106 0.000 1.059 145 Y CB 1.653 40.150 38.460 0.062 0.000 1.234 145 Y HN 0.053 nan 8.280 nan 0.000 0.461 146 K N 1.641 122.086 120.400 0.074 0.000 2.541 146 K HA 0.782 5.102 4.320 -0.000 0.000 0.250 146 K C -1.355 175.166 176.600 -0.133 0.000 0.950 146 K CA -0.720 55.367 56.287 -0.334 0.000 0.805 146 K CB 1.241 33.338 32.500 -0.672 0.000 1.166 146 K HN 0.838 nan 8.250 nan 0.000 0.430 147 A N 4.056 126.815 122.820 -0.102 0.000 2.444 147 A HA 0.127 4.447 4.320 -0.000 0.000 0.273 147 A C 0.507 178.016 177.584 -0.125 0.000 1.136 147 A CA -0.069 51.870 52.037 -0.163 0.000 0.799 147 A CB 0.264 19.084 19.000 -0.300 0.000 1.081 147 A HN 0.900 nan 8.150 nan 0.000 0.509 148 E N 2.040 122.176 120.200 -0.106 0.000 2.099 148 E HA 0.160 4.510 4.350 -0.000 0.000 0.191 148 E C 0.003 176.615 176.600 0.020 0.000 0.962 148 E CA 1.043 57.433 56.400 -0.017 0.000 0.826 148 E CB 0.175 29.884 29.700 0.016 0.000 0.788 148 E HN 0.752 nan 8.360 nan 0.000 0.461 149 I N 0.743 121.302 120.570 -0.017 0.000 2.534 149 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 149 I C -1.193 174.924 176.117 -0.000 0.000 1.077 149 I CA -0.737 60.611 61.300 0.080 0.000 1.051 149 I CB 1.710 39.765 38.000 0.091 0.000 1.234 149 I HN -0.217 nan 8.210 nan 0.000 0.425 150 F N 5.140 125.129 119.950 0.065 0.000 2.361 150 F HA 0.495 5.022 4.527 -0.000 0.000 0.364 150 F C 0.434 176.275 175.800 0.067 0.000 1.117 150 F CA -0.516 57.500 58.000 0.027 0.000 1.071 150 F CB 1.128 40.110 39.000 -0.030 0.000 1.188 150 F HN 0.306 nan 8.300 nan 0.000 0.464 151 R N 5.258 125.902 120.500 0.241 0.000 2.320 151 R HA 0.457 4.797 4.340 -0.000 0.000 0.319 151 R C -2.950 173.452 176.300 0.170 0.000 0.969 151 R CA -1.942 54.282 56.100 0.208 0.000 0.857 151 R CB 1.223 31.689 30.300 0.276 0.000 1.160 151 R HN 0.249 nan 8.270 nan 0.000 0.491 152 P HA -0.054 nan 4.420 nan 0.000 0.268 152 P C 0.560 177.920 177.300 0.101 0.000 1.205 152 P CA -0.174 62.988 63.100 0.104 0.000 0.771 152 P CB 1.116 32.840 31.700 0.040 0.000 0.858 153 V N 1.910 121.885 119.914 0.103 0.000 2.453 153 V HA -0.091 4.029 4.120 -0.000 0.000 0.247 153 V C 0.829 176.960 176.094 0.062 0.000 1.048 153 V CA 1.740 64.097 62.300 0.094 0.000 1.049 153 V CB -0.635 31.242 31.823 0.091 0.000 0.672 153 V HN 0.609 nan 8.190 nan 0.000 0.457 154 N N -0.929 117.798 118.700 0.044 0.000 2.265 154 N HA 0.419 5.159 4.740 -0.000 0.000 0.300 154 N C -2.877 172.642 175.510 0.014 0.000 1.148 154 N CA -1.517 51.548 53.050 0.026 0.000 0.772 154 N CB 1.160 39.657 38.487 0.016 0.000 1.434 154 N HN -0.002 nan 8.380 nan 0.000 0.481 155 P HA 0.018 nan 4.420 nan 0.000 0.261 155 P C -0.063 177.229 177.300 -0.013 0.000 1.173 155 P CA 0.222 63.318 63.100 -0.008 0.000 0.760 155 P CB 0.512 32.210 31.700 -0.003 0.000 0.783 156 L N 5.949 127.140 121.223 -0.054 0.000 2.499 156 L HA 0.139 4.479 4.340 -0.000 0.000 0.273 156 L C -1.323 175.571 176.870 0.039 0.000 1.195 156 L CA -1.420 53.381 54.840 -0.065 0.000 0.882 156 L CB -0.196 41.656 42.059 -0.346 0.000 1.133 156 L HN 0.312 nan 8.230 nan 0.000 0.483 157 P HA 0.297 nan 4.420 nan 0.000 0.278 157 P C -0.895 176.546 177.300 0.234 0.000 1.238 157 P CA -0.490 62.694 63.100 0.140 0.000 0.794 157 P CB 1.591 33.355 31.700 0.106 0.000 0.955 158 M N 0.709 120.408 119.600 0.166 0.000 2.530 158 M HA 0.282 4.762 4.480 -0.000 0.000 0.307 158 M C 0.079 176.461 176.300 0.136 0.000 1.161 158 M CA -0.557 54.847 55.300 0.173 0.000 0.903 158 M CB 2.155 34.839 32.600 0.140 0.000 1.711 158 M HN 0.255 nan 8.290 nan 0.000 0.451 159 S N 1.259 117.044 115.700 0.141 0.000 2.586 159 S HA 0.303 4.773 4.470 -0.000 0.000 0.274 159 S C -0.332 174.346 174.600 0.131 0.000 1.281 159 S CA -0.601 57.704 58.200 0.175 0.000 1.035 159 S CB 0.689 64.036 63.200 0.246 0.000 0.962 159 S HN 0.464 nan 8.310 nan 0.000 0.512 160 D N 1.155 121.647 120.400 0.153 0.000 2.383 160 D HA 0.423 5.063 4.640 -0.000 0.000 0.248 160 D C 0.217 176.535 176.300 0.030 0.000 1.170 160 D CA 0.228 54.281 54.000 0.088 0.000 0.977 160 D CB 1.406 42.294 40.800 0.146 0.000 1.120 160 D HN 0.408 nan 8.370 nan 0.000 0.481 161 T N -1.039 113.467 114.554 -0.080 0.000 2.865 161 T HA 0.565 4.915 4.350 -0.000 0.000 0.294 161 T C -1.031 173.479 174.700 -0.316 0.000 1.119 161 T CA -0.577 61.437 62.100 -0.144 0.000 1.007 161 T CB 1.256 70.054 68.868 -0.117 0.000 1.225 161 T HN 0.362 nan 8.240 nan 0.000 0.515 162 A N 3.787 126.416 122.820 -0.318 0.000 2.561 162 A HA 0.419 4.739 4.320 -0.000 0.000 0.234 162 A C -2.110 175.170 177.584 -0.506 0.000 1.055 162 A CA -0.570 51.175 52.037 -0.487 0.000 0.756 162 A CB -0.573 18.279 19.000 -0.248 0.000 0.986 162 A HN 0.646 nan 8.150 nan 0.000 0.505 163 P HA -0.010 nan 4.420 nan 0.000 0.268 163 P C -0.467 176.697 177.300 -0.226 0.000 1.208 163 P CA -0.226 62.614 63.100 -0.432 0.000 0.777 163 P CB 0.481 31.952 31.700 -0.382 0.000 0.875 164 D N 3.358 123.666 120.400 -0.153 0.000 2.417 164 D HA 0.004 4.644 4.640 -0.000 0.000 0.250 164 D C -0.987 175.274 176.300 -0.065 0.000 1.166 164 D CA -1.675 52.267 54.000 -0.096 0.000 0.881 164 D CB 0.866 41.623 40.800 -0.071 0.000 1.164 164 D HN 0.196 nan 8.370 nan 0.000 0.467 165 P HA -0.184 nan 4.420 nan 0.000 0.216 165 P C 0.756 178.044 177.300 -0.020 0.000 1.153 165 P CA 1.652 64.734 63.100 -0.030 0.000 0.858 165 P CB 0.122 31.807 31.700 -0.025 0.000 0.789 166 E N -0.968 119.219 120.200 -0.022 0.000 2.444 166 E HA 0.168 4.518 4.350 -0.000 0.000 0.191 166 E C 1.273 177.864 176.600 -0.015 0.000 1.041 166 E CA 0.631 57.023 56.400 -0.015 0.000 0.883 166 E CB -0.714 28.978 29.700 -0.014 0.000 1.024 166 E HN 0.319 nan 8.360 nan 0.000 0.470 167 T N -1.158 113.383 114.554 -0.021 0.000 3.151 167 T HA 0.182 4.532 4.350 -0.000 0.000 0.257 167 T C 0.649 175.338 174.700 -0.018 0.000 0.872 167 T CA 0.384 62.473 62.100 -0.019 0.000 0.873 167 T CB 0.325 69.178 68.868 -0.026 0.000 1.272 167 T HN 0.344 nan 8.240 nan 0.000 0.543 168 L N 0.714 121.920 121.223 -0.029 0.000 4.884 168 L HA -0.122 4.218 4.340 -0.000 0.000 0.430 168 L C 0.082 176.923 176.870 -0.048 0.000 1.087 168 L CA 0.674 55.500 54.840 -0.024 0.000 1.033 168 L CB -1.622 40.448 42.059 0.019 0.000 2.030 168 L HN 0.256 nan 8.230 nan 0.000 0.762 169 E N 0.796 120.957 120.200 -0.065 0.000 2.167 169 E HA 0.432 4.782 4.350 -0.000 0.000 0.284 169 E C -2.201 174.311 176.600 -0.147 0.000 1.016 169 E CA -2.102 54.254 56.400 -0.074 0.000 0.817 169 E CB 0.833 30.508 29.700 -0.043 0.000 1.080 169 E HN -0.009 nan 8.360 nan 0.000 0.397 170 P HA 0.092 nan 4.420 nan 0.000 0.265 170 P C -0.097 177.103 177.300 -0.167 0.000 1.193 170 P CA 0.147 63.061 63.100 -0.310 0.000 0.765 170 P CB 1.064 32.550 31.700 -0.357 0.000 0.823 171 G N 2.555 111.257 108.800 -0.164 0.000 2.509 171 G HA2 0.409 4.369 3.960 -0.000 0.000 0.269 171 G HA3 0.409 4.369 3.960 -0.000 0.000 0.269 171 G C -0.857 174.010 174.900 -0.055 0.000 1.416 171 G CA -0.307 44.739 45.100 -0.092 0.000 1.052 171 G HN 0.493 nan 8.290 nan 0.000 0.542 172 Q N -2.099 117.684 119.800 -0.027 0.000 2.462 172 Q HA 0.598 4.938 4.340 -0.000 0.000 0.285 172 Q C -1.365 174.643 176.000 0.014 0.000 1.035 172 Q CA -0.653 55.154 55.803 0.007 0.000 0.799 172 Q CB 2.697 31.451 28.738 0.025 0.000 1.452 172 Q HN 0.597 nan 8.270 nan 0.000 0.404 173 T N 0.152 114.729 114.554 0.038 0.000 2.830 173 T HA 0.249 4.599 4.350 -0.000 0.000 0.322 173 T C -1.682 173.050 174.700 0.052 0.000 1.501 173 T CA -0.615 61.506 62.100 0.035 0.000 1.036 173 T CB 1.414 70.290 68.868 0.012 0.000 1.379 173 T HN 0.481 nan 8.240 nan 0.000 0.493 174 E N 3.219 123.431 120.200 0.019 0.000 2.413 174 E HA 0.333 4.683 4.350 -0.000 0.000 0.263 174 E C -2.257 174.320 176.600 -0.037 0.000 1.015 174 E CA -0.899 55.456 56.400 -0.075 0.000 0.916 174 E CB 0.318 29.891 29.700 -0.212 0.000 0.947 174 E HN 0.338 nan 8.360 nan 0.000 0.440 175 P HA 0.014 nan 4.420 nan 0.000 0.270 175 P C -0.902 176.421 177.300 0.037 0.000 1.223 175 P CA -0.195 62.935 63.100 0.049 0.000 0.785 175 P CB 0.509 32.246 31.700 0.061 0.000 0.923 176 L N 2.562 123.810 121.223 0.043 0.000 2.309 176 L HA 0.388 4.728 4.340 -0.000 0.000 0.282 176 L C 0.681 177.498 176.870 -0.089 0.000 1.036 176 L CA -0.576 54.257 54.840 -0.011 0.000 0.806 176 L CB 0.283 42.377 42.059 0.059 0.000 1.220 176 L HN 0.378 nan 8.230 nan 0.000 0.429 177 I N 2.585 123.040 120.570 -0.192 0.000 2.752 177 I HA -0.025 4.145 4.170 -0.000 0.000 0.287 177 I C 0.940 177.034 176.117 -0.038 0.000 1.188 177 I CA 0.174 61.397 61.300 -0.128 0.000 1.427 177 I CB 0.414 38.334 38.000 -0.132 0.000 1.365 177 I HN 0.525 nan 8.210 nan 0.000 0.585 178 K N 5.248 125.629 120.400 -0.031 0.000 2.257 178 K HA 0.281 4.601 4.320 -0.000 0.000 0.270 178 K C 1.112 177.714 176.600 0.004 0.000 1.098 178 K CA 0.069 56.339 56.287 -0.028 0.000 0.943 178 K CB 0.698 33.159 32.500 -0.065 0.000 1.316 178 K HN 0.840 nan 8.250 nan 0.000 0.447 179 S N 3.386 119.124 115.700 0.064 0.000 2.392 179 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 179 S C 1.159 175.878 174.600 0.198 0.000 1.041 179 S CA 2.013 60.303 58.200 0.151 0.000 1.026 179 S CB -0.262 62.997 63.200 0.100 0.000 0.845 179 S HN 0.837 nan 8.310 nan 0.000 0.465 180 D N 0.071 120.533 120.400 0.103 0.000 2.427 180 D HA 0.315 4.955 4.640 -0.000 0.000 0.224 180 D C 0.760 177.089 176.300 0.048 0.000 1.157 180 D CA 0.240 54.301 54.000 0.103 0.000 0.828 180 D CB -0.384 40.451 40.800 0.058 0.000 0.974 180 D HN 0.358 nan 8.370 nan 0.000 0.498 181 G N 0.156 108.933 108.800 -0.040 0.000 2.535 181 G HA2 0.377 4.337 3.960 -0.000 0.000 0.282 181 G HA3 0.377 4.337 3.960 -0.000 0.000 0.282 181 G C -0.257 174.520 174.900 -0.206 0.000 1.350 181 G CA -0.556 44.456 45.100 -0.147 0.000 1.039 181 G HN 0.085 nan 8.290 nan 0.000 0.509 182 V N 0.514 120.298 119.914 -0.216 0.000 2.432 182 V HA 0.237 4.357 4.120 -0.000 0.000 0.271 182 V C -0.896 175.041 176.094 -0.262 0.000 1.046 182 V CA -0.216 61.997 62.300 -0.145 0.000 0.945 182 V CB 0.001 31.774 31.823 -0.083 0.000 0.992 182 V HN 0.439 nan 8.190 nan 0.000 0.471 183 Y N 2.296 122.584 120.300 -0.020 0.000 2.342 183 Y HA 0.539 5.089 4.550 -0.000 0.000 0.334 183 Y C 0.700 176.545 175.900 -0.092 0.000 1.067 183 Y CA -0.346 57.720 58.100 -0.056 0.000 1.128 183 Y CB 1.863 40.291 38.460 -0.053 0.000 1.200 183 Y HN 0.545 nan 8.280 nan 0.000 0.464 184 S N 3.519 119.198 115.700 -0.035 0.000 2.659 184 S HA 0.312 4.782 4.470 -0.000 0.000 0.312 184 S C -0.756 173.765 174.600 -0.131 0.000 1.114 184 S CA -1.162 57.003 58.200 -0.059 0.000 1.063 184 S CB 0.458 63.630 63.200 -0.048 0.000 0.996 184 S HN 0.550 nan 8.310 nan 0.000 0.478 185 N N 2.395 121.073 118.700 -0.037 0.000 2.416 185 N HA 0.105 4.845 4.740 -0.000 0.000 0.246 185 N C 0.693 176.255 175.510 0.087 0.000 1.260 185 N CA 0.090 53.155 53.050 0.026 0.000 0.897 185 N CB 0.548 39.072 38.487 0.062 0.000 1.110 185 N HN 0.736 nan 8.380 nan 0.000 0.439 186 S N -0.467 115.368 115.700 0.225 0.000 2.617 186 S HA 0.442 4.912 4.470 -0.000 0.000 0.259 186 S C 0.873 175.576 174.600 0.171 0.000 1.301 186 S CA -0.519 57.832 58.200 0.252 0.000 0.984 186 S CB 0.500 63.928 63.200 0.379 0.000 0.954 186 S HN 0.558 nan 8.310 nan 0.000 0.572 187 G N -0.523 108.373 108.800 0.160 0.000 2.553 187 G HA2 0.462 4.422 3.960 -0.000 0.000 0.278 187 G HA3 0.462 4.422 3.960 -0.000 0.000 0.278 187 G C -0.188 174.781 174.900 0.115 0.000 1.349 187 G CA -1.167 44.006 45.100 0.122 0.000 1.037 187 G HN 0.795 nan 8.290 nan 0.000 0.508 188 I N 1.006 121.624 120.570 0.079 0.000 2.517 188 I HA 0.307 4.477 4.170 -0.000 0.000 0.285 188 I C 0.703 176.854 176.117 0.057 0.000 1.106 188 I CA 0.090 61.432 61.300 0.071 0.000 1.402 188 I CB 1.061 39.039 38.000 -0.036 0.000 1.399 188 I HN 0.362 nan 8.210 nan 0.000 0.535 189 A N 5.565 128.445 122.820 0.099 0.000 2.277 189 A HA 0.593 4.913 4.320 -0.000 0.000 0.318 189 A C -0.210 177.322 177.584 -0.086 0.000 1.339 189 A CA -0.366 51.633 52.037 -0.064 0.000 0.875 189 A CB 0.480 19.402 19.000 -0.130 0.000 1.158 189 A HN 0.618 nan 8.150 nan 0.000 0.514 190 S N 1.730 117.348 115.700 -0.136 0.000 2.462 190 S HA 0.639 5.109 4.470 -0.000 0.000 0.294 190 S C -0.524 173.942 174.600 -0.223 0.000 1.144 190 S CA -0.219 57.957 58.200 -0.039 0.000 1.088 190 S CB 0.294 63.493 63.200 -0.001 0.000 1.009 190 S HN 0.471 nan 8.310 nan 0.000 0.484 191 F N 3.425 123.359 119.950 -0.025 0.000 2.399 191 F HA 0.478 5.005 4.527 -0.000 0.000 0.342 191 F C 0.716 176.386 175.800 -0.217 0.000 1.106 191 F CA -0.871 57.033 58.000 -0.160 0.000 1.196 191 F CB 0.415 39.313 39.000 -0.170 0.000 1.163 191 F HN 0.394 nan 8.300 nan 0.000 0.547 192 I N -0.876 119.590 120.570 -0.174 0.000 2.646 192 I HA 0.499 4.669 4.170 -0.000 0.000 0.299 192 I C -1.010 174.960 176.117 -0.244 0.000 1.036 192 I CA -0.684 60.582 61.300 -0.057 0.000 1.074 192 I CB 2.038 40.035 38.000 -0.005 0.000 1.258 192 I HN 0.446 nan 8.210 nan 0.000 0.430 193 F N 1.114 121.150 119.950 0.143 0.000 2.727 193 F HA 0.112 4.639 4.527 0.000 0.000 0.302 193 F C 1.411 177.251 175.800 0.067 0.000 1.107 193 F CA -0.185 57.893 58.000 0.130 0.000 1.277 193 F CB 0.093 39.181 39.000 0.147 0.000 1.079 193 F HN 0.594 nan 8.300 nan 0.000 0.594 194 D N 0.731 121.256 120.400 0.209 0.000 2.402 194 D HA 0.136 4.776 4.640 -0.000 0.000 0.216 194 D C 0.230 176.583 176.300 0.090 0.000 1.128 194 D CA -0.029 54.044 54.000 0.123 0.000 0.833 194 D CB 0.058 40.908 40.800 0.084 0.000 0.971 194 D HN 0.389 nan 8.370 nan 0.000 0.503 195 R N -1.495 119.049 120.500 0.073 0.000 2.709 195 R HA 0.432 4.772 4.340 -0.000 0.000 0.270 195 R C -3.406 172.861 176.300 -0.056 0.000 1.038 195 R CA -1.324 54.795 56.100 0.031 0.000 0.872 195 R CB 0.412 30.719 30.300 0.011 0.000 1.259 195 R HN -0.243 nan 8.270 nan 0.000 0.473 196 P HA 0.110 nan 4.420 nan 0.000 0.274 196 P C -0.240 176.898 177.300 -0.269 0.000 1.256 196 P CA -0.505 62.327 63.100 -0.446 0.000 0.795 196 P CB 0.798 31.827 31.700 -1.119 0.000 1.038 197 V N 1.252 121.016 119.914 -0.251 0.000 2.583 197 V HA 0.331 4.451 4.120 -0.000 0.000 0.287 197 V C 0.926 176.941 176.094 -0.132 0.000 1.051 197 V CA 0.475 62.702 62.300 -0.121 0.000 1.010 197 V CB 0.686 32.486 31.823 -0.039 0.000 0.988 197 V HN 0.882 nan 8.190 nan 0.000 0.478 198 T N 1.901 116.422 114.554 -0.055 0.000 2.896 198 T HA 0.717 5.067 4.350 -0.000 0.000 0.297 198 T C -0.896 173.823 174.700 0.032 0.000 1.108 198 T CA -0.951 61.117 62.100 -0.053 0.000 1.004 198 T CB 2.368 71.186 68.868 -0.084 0.000 1.159 198 T HN 0.589 nan 8.240 nan 0.000 0.499 199 E N 1.095 121.310 120.200 0.024 0.000 2.277 199 E HA 0.474 4.824 4.350 -0.000 0.000 0.266 199 E C -2.851 173.754 176.600 0.008 0.000 0.901 199 E CA -2.598 53.840 56.400 0.064 0.000 0.782 199 E CB 2.154 31.927 29.700 0.121 0.000 1.228 199 E HN 0.410 nan 8.360 nan 0.000 0.424 200 P HA -0.026 nan 4.420 nan 0.000 0.268 200 P C -0.719 176.594 177.300 0.023 0.000 1.205 200 P CA -0.104 62.998 63.100 0.003 0.000 0.771 200 P CB 0.375 32.093 31.700 0.031 0.000 0.858 201 N N 4.713 123.424 118.700 0.019 0.000 2.431 201 N HA 0.060 4.800 4.740 -0.000 0.000 0.265 201 N C -1.560 174.026 175.510 0.127 0.000 1.184 201 N CA -1.473 51.615 53.050 0.062 0.000 0.943 201 N CB 0.006 38.530 38.487 0.061 0.000 1.080 201 N HN 0.195 nan 8.380 nan 0.000 0.477 202 P HA -0.224 nan 4.420 nan 0.000 0.216 202 P C -0.267 177.096 177.300 0.105 0.000 1.167 202 P CA 1.583 64.733 63.100 0.082 0.000 0.933 202 P CB -0.022 31.713 31.700 0.058 0.000 0.793 203 N N -1.326 117.440 118.700 0.110 0.000 3.052 203 N HA -0.052 4.688 4.740 -0.000 0.000 0.302 203 N C 1.154 176.782 175.510 0.196 0.000 1.332 203 N CA -0.383 52.731 53.050 0.106 0.000 1.129 203 N CB -0.819 37.711 38.487 0.071 0.000 1.436 203 N HN 0.495 nan 8.380 nan 0.000 0.536 204 W N 2.397 123.698 121.300 0.001 0.000 2.207 204 W HA -0.056 4.604 4.660 -0.000 0.000 0.321 204 W C -1.857 174.663 176.519 0.001 0.000 1.202 204 W CA 0.545 57.891 57.345 0.001 0.000 1.151 204 W CB -1.293 28.167 29.460 0.000 0.000 1.175 204 W HN 0.081 nan 8.180 nan 0.000 0.461 205 P HA -0.003 nan 4.420 nan 0.000 0.266 205 P C -2.085 175.016 177.300 -0.331 0.000 1.215 205 P CA 0.028 62.614 63.100 -0.857 0.000 0.763 205 P CB 0.740 32.014 31.700 -0.710 0.000 0.806 206 P HA 0.170 nan 4.420 nan 0.000 0.280 206 P C -0.535 176.739 177.300 -0.043 0.000 1.431 206 P CA 0.169 63.080 63.100 -0.316 0.000 1.058 206 P CB 0.636 32.223 31.700 -0.188 0.000 1.521 207 L N 1.705 122.992 121.223 0.107 0.000 2.278 207 L HA 0.405 4.745 4.340 -0.000 0.000 0.287 207 L C -2.395 174.736 176.870 0.434 0.000 1.072 207 L CA -2.128 52.847 54.840 0.225 0.000 0.819 207 L CB 0.635 42.777 42.059 0.139 0.000 1.176 207 L HN -0.185 nan 8.230 nan 0.000 0.435 208 P HA 0.273 nan 4.420 nan 0.000 0.276 208 P C -2.361 174.976 177.300 0.061 0.000 1.252 208 P CA -1.053 62.158 63.100 0.185 0.000 0.802 208 P CB 0.113 31.893 31.700 0.134 0.000 1.035 209 P HA 0.303 nan 4.420 nan 0.000 0.278 209 P C -2.332 174.712 177.300 -0.427 0.000 1.266 209 P CA -1.837 61.141 63.100 -0.203 0.000 0.807 209 P CB 0.080 31.690 31.700 -0.149 0.000 1.094 210 P HA -0.086 nan 4.420 nan 0.000 0.215 210 P C 0.425 177.395 177.300 -0.551 0.000 1.157 210 P CA 1.187 63.518 63.100 -1.282 0.000 0.863 210 P CB -0.041 30.855 31.700 -1.339 0.000 0.787 211 V N -3.820 115.887 119.914 -0.345 0.000 2.960 211 V HA 0.530 4.650 4.120 -0.000 0.000 0.315 211 V C -0.533 175.483 176.094 -0.129 0.000 1.087 211 V CA -1.329 60.860 62.300 -0.185 0.000 0.982 211 V CB 2.248 33.981 31.823 -0.150 0.000 1.039 211 V HN -0.232 nan 8.190 nan 0.000 0.437 212 I N 2.682 123.200 120.570 -0.087 0.000 2.389 212 I HA 0.465 4.635 4.170 -0.000 0.000 0.288 212 I C -2.572 173.487 176.117 -0.096 0.000 0.999 212 I CA -2.125 59.132 61.300 -0.073 0.000 1.129 212 I CB 2.264 40.234 38.000 -0.050 0.000 1.288 212 I HN 0.445 nan 8.210 nan 0.000 0.444 213 P HA 0.106 nan 4.420 nan 0.000 0.267 213 P C 0.247 177.429 177.300 -0.198 0.000 1.205 213 P CA 0.050 63.035 63.100 -0.192 0.000 0.765 213 P CB 0.861 32.486 31.700 -0.125 0.000 0.828 214 I N 3.737 124.136 120.570 -0.286 0.000 2.900 214 I HA 0.208 4.378 4.170 -0.000 0.000 0.251 214 I C 1.254 177.193 176.117 -0.298 0.000 1.102 214 I CA 0.820 61.901 61.300 -0.366 0.000 1.457 214 I CB -0.598 37.037 38.000 -0.608 0.000 1.285 214 I HN 0.296 nan 8.210 nan 0.000 0.459 215 I N -2.893 117.506 120.570 -0.285 0.000 2.994 215 I HA 0.490 4.660 4.170 -0.000 0.000 0.306 215 I C -1.696 174.282 176.117 -0.232 0.000 1.195 215 I CA -0.901 60.318 61.300 -0.135 0.000 1.001 215 I CB 2.545 40.512 38.000 -0.054 0.000 1.244 215 I HN -0.197 nan 8.210 nan 0.000 0.437 216 Y N 2.729 123.018 120.300 -0.019 0.000 2.409 216 Y HA 0.691 5.241 4.550 -0.000 0.000 0.339 216 Y C -2.330 173.577 175.900 0.012 0.000 1.033 216 Y CA -1.919 56.178 58.100 -0.004 0.000 1.094 216 Y CB 1.623 40.082 38.460 -0.002 0.000 1.210 216 Y HN 0.421 nan 8.280 nan 0.000 0.456 217 P HA 0.322 nan 4.420 nan 0.000 0.283 217 P C -1.008 176.377 177.300 0.143 0.000 1.271 217 P CA -0.694 62.468 63.100 0.102 0.000 0.841 217 P CB 1.645 33.363 31.700 0.030 0.000 1.122 218 T N 2.119 116.752 114.554 0.132 0.000 3.331 218 T HA 0.226 4.576 4.350 -0.000 0.000 0.381 218 T C -1.543 173.244 174.700 0.146 0.000 1.656 218 T CA -1.129 61.043 62.100 0.120 0.000 1.453 218 T CB 0.685 69.610 68.868 0.096 0.000 1.066 218 T HN 0.357 nan 8.240 nan 0.000 0.655 219 P HA -0.208 nan 4.420 nan 0.000 0.217 219 P C 1.560 178.911 177.300 0.085 0.000 1.151 219 P CA 1.042 64.247 63.100 0.174 0.000 0.849 219 P CB 0.202 31.976 31.700 0.122 0.000 0.787 220 A N -0.257 122.599 122.820 0.059 0.000 2.019 220 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 220 A C 2.214 179.821 177.584 0.038 0.000 1.164 220 A CA 1.175 53.231 52.037 0.032 0.000 0.644 220 A CB -1.227 17.789 19.000 0.027 0.000 0.805 220 A HN 0.217 nan 8.150 nan 0.000 0.449 221 L N -1.496 119.764 121.223 0.061 0.000 2.728 221 L HA 0.263 4.603 4.340 -0.000 0.000 0.238 221 L C 1.411 178.329 176.870 0.080 0.000 1.143 221 L CA 0.353 55.224 54.840 0.050 0.000 0.937 221 L CB -0.165 41.919 42.059 0.041 0.000 1.225 221 L HN 0.522 nan 8.230 nan 0.000 0.507 222 G N 1.607 110.498 108.800 0.152 0.000 2.198 222 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 222 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 222 G C 0.139 175.273 174.900 0.389 0.000 1.025 222 G CA 0.006 45.282 45.100 0.294 0.000 0.769 222 G HN 0.353 nan 8.290 nan 0.000 0.507 223 I N 1.337 122.060 120.570 0.254 0.000 2.304 223 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 223 I C 1.156 177.351 176.117 0.130 0.000 1.018 223 I CA -0.129 61.223 61.300 0.087 0.000 1.260 223 I CB 1.273 39.249 38.000 -0.040 0.000 1.390 223 I HN 0.153 nan 8.210 nan 0.000 0.475 224 G N 4.396 113.179 108.800 -0.028 0.000 2.461 224 G HA2 0.764 4.724 3.960 -0.000 0.000 0.329 224 G HA3 0.764 4.724 3.960 -0.000 0.000 0.329 224 G C -1.030 173.876 174.900 0.010 0.000 1.170 224 G CA -0.476 44.299 45.100 -0.542 0.000 0.935 224 G HN 0.716 nan 8.290 nan 0.000 0.492 225 A N -0.752 122.038 122.820 -0.050 0.000 2.374 225 A HA 0.980 5.300 4.320 -0.000 0.000 0.317 225 A C -0.104 177.369 177.584 -0.185 0.000 1.094 225 A CA -0.031 52.007 52.037 0.001 0.000 0.765 225 A CB 1.746 20.720 19.000 -0.043 0.000 1.268 225 A HN 2.110 nan 8.150 nan 0.000 0.438 226 A N 0.081 122.703 122.820 -0.329 0.000 2.602 226 A HA 0.918 5.238 4.320 -0.000 0.000 0.290 226 A C -0.641 176.713 177.584 -0.382 0.000 1.114 226 A CA -0.028 51.685 52.037 -0.540 0.000 0.683 226 A CB 1.175 19.402 19.000 -1.289 0.000 1.281 226 A HN 2.468 nan 8.150 nan 0.000 0.416 227 A N 0.061 122.638 122.820 -0.406 0.000 2.335 227 A HA 0.753 5.072 4.320 -0.000 0.000 0.304 227 A C -0.136 177.090 177.584 -0.596 0.000 1.118 227 A CA 0.161 51.810 52.037 -0.645 0.000 0.757 227 A CB 0.830 19.437 19.000 -0.656 0.000 1.188 227 A HN 2.303 nan 8.150 nan 0.000 0.460 228 A N 2.947 125.415 122.820 -0.586 0.000 2.540 228 A HA 0.616 4.936 4.320 -0.000 0.000 0.340 228 A C -0.862 176.558 177.584 -0.273 0.000 1.424 228 A CA -0.296 51.610 52.037 -0.219 0.000 0.940 228 A CB -0.407 18.663 19.000 0.118 0.000 1.149 228 A HN 0.702 nan 8.150 nan 0.000 0.505 229 Y N 0.636 120.876 120.300 -0.099 0.000 2.309 229 Y HA 0.399 4.949 4.550 -0.000 0.000 0.327 229 Y C 1.515 177.435 175.900 0.034 0.000 1.172 229 Y CA 1.074 59.134 58.100 -0.067 0.000 1.280 229 Y CB 1.246 39.671 38.460 -0.059 0.000 1.234 229 Y HN 1.046 nan 8.280 nan 0.000 0.512 230 G N 2.989 111.930 108.800 0.235 0.000 2.225 230 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 230 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 230 G C -0.331 174.696 174.900 0.211 0.000 1.060 230 G CA -0.422 44.794 45.100 0.193 0.000 0.833 230 G HN 0.596 nan 8.290 nan 0.000 0.498 231 F N 1.313 121.338 119.950 0.124 0.000 2.504 231 F HA 0.520 5.047 4.527 -0.000 0.000 0.369 231 F C 0.792 176.715 175.800 0.205 0.000 1.082 231 F CA 0.684 58.782 58.000 0.164 0.000 1.216 231 F CB 0.678 39.763 39.000 0.142 0.000 1.108 231 F HN 0.336 nan 8.300 nan 0.000 0.554 232 G N 5.390 114.048 108.800 -0.237 0.000 2.620 232 G HA2 0.564 4.524 3.960 -0.000 0.000 0.301 232 G HA3 0.564 4.524 3.960 -0.000 0.000 0.301 232 G C -2.198 172.678 174.900 -0.040 0.000 1.347 232 G CA -0.634 44.441 45.100 -0.040 0.000 0.971 232 G HN 0.817 nan 8.290 nan 0.000 0.488 233 Y N -1.494 118.727 120.300 -0.131 0.000 2.728 233 Y HA 0.784 5.334 4.550 -0.000 0.000 0.330 233 Y C -0.603 175.191 175.900 -0.177 0.000 1.234 233 Y CA -1.581 56.379 58.100 -0.233 0.000 1.070 233 Y CB 0.931 39.326 38.460 -0.108 0.000 1.300 233 Y HN 0.514 nan 8.280 nan 0.000 0.467 234 Q N 1.163 120.808 119.800 -0.258 0.000 2.348 234 Q HA 0.758 5.098 4.340 -0.000 0.000 0.271 234 Q C -1.097 174.802 176.000 -0.169 0.000 1.067 234 Q CA -1.370 54.279 55.803 -0.257 0.000 0.839 234 Q CB 3.330 31.945 28.738 -0.203 0.000 1.354 234 Q HN 0.743 nan 8.270 nan 0.000 0.447 235 V N -2.081 117.740 119.914 -0.156 0.000 3.141 235 V HA 0.716 4.836 4.120 -0.000 0.000 0.312 235 V C -0.579 175.469 176.094 -0.076 0.000 1.157 235 V CA -0.792 61.453 62.300 -0.091 0.000 1.041 235 V CB 2.113 33.906 31.823 -0.051 0.000 1.071 235 V HN 0.726 nan 8.190 nan 0.000 0.441 236 T N 1.913 116.425 114.554 -0.069 0.000 2.788 236 T HA 0.645 4.995 4.350 -0.000 0.000 0.296 236 T C -0.346 174.273 174.700 -0.134 0.000 1.009 236 T CA -0.262 61.757 62.100 -0.134 0.000 0.949 236 T CB 0.999 69.767 68.868 -0.166 0.000 0.946 236 T HN 0.695 nan 8.240 nan 0.000 0.453 237 V N 4.136 123.980 119.914 -0.117 0.000 2.547 237 V HA 0.482 4.602 4.120 -0.000 0.000 0.299 237 V C -0.920 175.140 176.094 -0.057 0.000 1.040 237 V CA -0.955 61.341 62.300 -0.006 0.000 0.913 237 V CB 0.991 32.843 31.823 0.048 0.000 0.992 237 V HN 0.759 nan 8.190 nan 0.000 0.449 238 Y N 2.278 122.669 120.300 0.152 0.000 2.377 238 Y HA 0.785 5.335 4.550 -0.000 0.000 0.339 238 Y C 0.553 176.575 175.900 0.203 0.000 1.011 238 Y CA -0.500 57.717 58.100 0.194 0.000 1.093 238 Y CB 1.496 40.041 38.460 0.141 0.000 1.201 238 Y HN 0.716 nan 8.280 nan 0.000 0.455 239 R N 2.759 123.510 120.500 0.418 0.000 2.670 239 R HA 0.363 4.703 4.340 -0.000 0.000 0.289 239 R C -0.966 175.574 176.300 0.399 0.000 0.965 239 R CA -0.956 55.337 56.100 0.322 0.000 0.899 239 R CB 0.861 31.273 30.300 0.187 0.000 1.173 239 R HN 0.987 nan 8.270 nan 0.000 0.456 240 W N 0.528 121.897 121.300 0.114 0.000 1.992 240 W HA 0.453 5.113 4.660 -0.000 0.000 0.360 240 W C 0.383 176.953 176.519 0.084 0.000 1.369 240 W CA 0.899 58.297 57.345 0.087 0.000 1.403 240 W CB 0.729 30.223 29.460 0.057 0.000 1.215 240 W HN 1.064 nan 8.180 nan 0.000 0.643 241 E N 0.219 119.982 120.200 -0.728 0.000 1.980 241 E HA 0.379 4.729 4.350 -0.000 0.000 0.139 241 E C 0.311 176.508 176.600 -0.672 0.000 1.408 241 E CA 0.454 56.535 56.400 -0.531 0.000 0.911 241 E CB -0.734 28.790 29.700 -0.293 0.000 2.060 241 E HN 1.042 nan 8.360 nan 0.000 0.556 242 E N -2.270 117.686 120.200 -0.408 0.000 5.678 242 E HA 0.244 4.594 4.350 -0.000 0.000 0.179 242 E C 1.193 177.661 176.600 -0.220 0.000 1.531 242 E CA 3.473 59.703 56.400 -0.284 0.000 2.664 242 E CB -1.988 27.548 29.700 -0.273 0.000 2.031 242 E HN 2.330 nan 8.360 nan 0.000 0.403 243 I N -2.309 118.182 120.570 -0.130 0.000 4.733 243 I HA 1.011 5.181 4.170 -0.000 0.000 0.151 243 I C -0.686 175.414 176.117 -0.028 0.000 0.672 243 I CA 1.548 62.811 61.300 -0.062 0.000 2.426 243 I CB 0.648 38.625 38.000 -0.038 0.000 1.277 243 I HN 1.420 nan 8.210 nan 0.000 0.450 244 P HA 0.901 nan 4.420 nan 0.000 0.331 244 P C -0.768 176.536 177.300 0.006 0.000 0.710 244 P CA 2.019 65.125 63.100 0.010 0.000 0.675 244 P CB 1.225 32.944 31.700 0.032 0.000 1.167 245 V N -4.313 115.609 119.914 0.013 0.000 3.393 245 V HA 0.451 4.571 4.120 -0.000 0.000 0.487 245 V C -0.634 175.465 176.094 0.008 0.000 0.682 245 V CA 1.575 63.881 62.300 0.010 0.000 2.033 245 V CB -1.944 29.882 31.823 0.005 0.000 2.477 245 V HN 1.827 nan 8.190 nan 0.000 0.503 246 E N 1.949 122.154 120.200 0.008 0.000 2.403 246 E HA 1.182 5.532 4.350 -0.000 0.000 0.280 246 E C -0.463 176.142 176.600 0.007 0.000 1.101 246 E CA 0.426 56.831 56.400 0.007 0.000 0.856 246 E CB 0.637 30.343 29.700 0.009 0.000 1.303 246 E HN 2.658 nan 8.360 nan 0.000 0.441 271 N N -0.136 118.567 118.700 0.005 0.000 3.395 271 N HA 1.079 5.819 4.740 -0.000 0.000 0.293 271 N C -0.477 175.035 175.510 0.004 0.000 1.489 271 N CA 0.836 53.889 53.050 0.004 0.000 0.871 271 N CB 0.897 39.387 38.487 0.004 0.000 1.649 271 N HN 2.099 nan 8.380 nan 0.000 0.501 272 P HA -0.120 nan 4.420 nan 0.000 0.290 272 P C 0.793 178.095 177.300 0.003 0.000 0.856 272 P CA 4.303 67.405 63.100 0.003 0.000 0.884 272 P CB -1.728 29.974 31.700 0.003 0.000 0.957 273 E N -0.318 119.884 120.200 0.003 0.000 2.499 273 E HA 0.524 4.874 4.350 -0.000 0.000 0.199 273 E C 0.975 177.577 176.600 0.004 0.000 1.016 273 E CA 1.618 58.020 56.400 0.003 0.000 0.933 273 E CB 0.244 29.946 29.700 0.003 0.000 1.050 273 E HN 1.441 nan 8.360 nan 0.000 0.462 274 G N -1.853 106.949 108.800 0.004 0.000 2.896 274 G HA2 0.648 4.608 3.960 -0.000 0.000 0.247 274 G HA3 0.648 4.608 3.960 -0.000 0.000 0.247 274 G C 0.336 175.240 174.900 0.005 0.000 1.187 274 G CA 0.480 45.583 45.100 0.005 0.000 0.837 274 G HN 1.095 nan 8.290 nan 0.000 0.559 275 S N -1.424 114.280 115.700 0.006 0.000 4.189 275 S HA 0.705 5.175 4.470 -0.000 0.000 0.082 275 S C -1.676 172.930 174.600 0.008 0.000 0.857 275 S CA 1.169 59.373 58.200 0.007 0.000 0.856 275 S CB -0.397 62.808 63.200 0.007 0.000 0.873 275 S HN 1.455 nan 8.310 nan 0.000 0.747 276 P HA 0.921 nan 4.420 nan 0.000 0.346 276 P C -0.501 176.805 177.300 0.009 0.000 1.601 276 P CA 0.414 63.520 63.100 0.010 0.000 1.385 276 P CB 1.103 32.809 31.700 0.010 0.000 2.044 277 C N 0.965 120.271 119.300 0.010 0.000 2.656 277 C HA 1.114 5.574 4.460 -0.000 0.000 0.404 277 C C 0.478 175.474 174.990 0.010 0.000 1.423 277 C CA 0.030 59.054 59.018 0.009 0.000 1.784 277 C CB 1.115 28.861 27.740 0.009 0.000 2.093 277 C HN 1.052 nan 8.230 nan 0.000 0.492 278 A N -1.880 120.945 122.820 0.009 0.000 2.594 278 A HA 1.200 5.520 4.320 -0.000 0.000 0.296 278 A C -0.672 176.917 177.584 0.008 0.000 1.061 278 A CA 0.644 52.687 52.037 0.010 0.000 0.689 278 A CB -0.002 19.003 19.000 0.009 0.000 1.280 278 A HN 3.056 nan 8.150 nan 0.000 0.406 279 Y N -2.327 117.978 120.300 0.008 0.000 3.066 279 Y HA 0.791 5.341 4.550 -0.000 0.000 0.415 279 Y C 0.492 176.395 175.900 0.006 0.000 1.303 279 Y CA 0.798 58.901 58.100 0.006 0.000 1.118 279 Y CB -1.471 36.990 38.460 0.003 0.000 2.734 279 Y HN 3.516 nan 8.280 nan 0.000 0.372 280 E N -0.913 119.288 120.200 0.003 0.000 9.197 280 E HA 0.494 4.844 4.350 -0.000 0.000 0.478 280 E C 0.028 176.630 176.600 0.004 0.000 1.409 280 E CA 0.981 57.382 56.400 0.001 0.000 2.454 280 E CB -1.895 27.805 29.700 0.000 0.000 1.029 280 E HN 3.089 nan 8.360 nan 0.000 0.289 281 A N -0.381 122.441 122.820 0.002 0.000 2.459 281 A HA 0.961 5.281 4.320 -0.000 0.000 0.296 281 A C 1.492 179.081 177.584 0.007 0.000 1.039 281 A CA 1.275 53.316 52.037 0.005 0.000 0.698 281 A CB 0.774 19.776 19.000 0.003 0.000 1.261 281 A HN 2.776 nan 8.150 nan 0.000 0.405 282 G N 1.001 109.810 108.800 0.014 0.000 2.212 282 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.266 282 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.266 282 G C 0.376 175.293 174.900 0.028 0.000 0.978 282 G CA 0.652 45.764 45.100 0.020 0.000 0.632 282 G HN 0.909 nan 8.290 nan 0.000 0.537 283 I N 0.708 121.292 120.570 0.023 0.000 2.886 283 I HA 0.485 4.655 4.170 -0.000 0.000 0.299 283 I C 0.685 176.843 176.117 0.069 0.000 1.044 283 I CA -0.609 60.707 61.300 0.026 0.000 1.310 283 I CB 1.124 39.125 38.000 0.001 0.000 1.441 283 I HN -0.031 nan 8.210 nan 0.000 0.578 284 I N 4.708 125.350 120.570 0.120 0.000 2.410 284 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 284 I C -1.007 175.242 176.117 0.220 0.000 1.009 284 I CA -0.574 60.844 61.300 0.198 0.000 1.111 284 I CB 1.885 40.092 38.000 0.345 0.000 1.262 284 I HN 0.256 nan 8.210 nan 0.000 0.443 285 L N 8.692 129.999 121.223 0.141 0.000 2.313 285 L HA 0.700 5.040 4.340 -0.000 0.000 0.283 285 L C -1.017 175.914 176.870 0.103 0.000 1.013 285 L CA -0.357 54.557 54.840 0.123 0.000 0.816 285 L CB 1.690 43.793 42.059 0.073 0.000 1.236 285 L HN 0.303 nan 8.230 nan 0.000 0.419 286 V N 5.457 125.438 119.914 0.111 0.000 2.588 286 V HA 0.629 4.749 4.120 -0.000 0.000 0.304 286 V C -0.418 175.710 176.094 0.055 0.000 1.042 286 V CA -0.690 61.649 62.300 0.065 0.000 0.877 286 V CB 1.936 33.784 31.823 0.042 0.000 0.996 286 V HN 0.709 nan 8.190 nan 0.000 0.425 287 R N 2.626 123.146 120.500 0.034 0.000 2.439 287 R HA 0.488 4.828 4.340 -0.000 0.000 0.310 287 R C -0.576 175.734 176.300 0.018 0.000 0.955 287 R CA -0.882 55.236 56.100 0.029 0.000 0.853 287 R CB 1.964 32.279 30.300 0.025 0.000 1.171 287 R HN 0.765 nan 8.270 nan 0.000 0.449 288 Q N 1.280 121.090 119.800 0.017 0.000 2.485 288 Q HA -0.123 4.217 4.340 -0.000 0.000 0.348 288 Q C 0.107 176.111 176.000 0.007 0.000 1.097 288 Q CA 1.079 56.888 55.803 0.010 0.000 1.079 288 Q CB 0.674 29.419 28.738 0.012 0.000 1.108 288 Q HN 0.666 nan 8.270 nan 0.000 0.400 289 T N 1.598 116.153 114.554 0.002 0.000 2.904 289 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 289 T C 1.494 176.196 174.700 0.002 0.000 1.059 289 T CA 1.281 63.382 62.100 0.001 0.000 1.137 289 T CB -0.137 68.729 68.868 -0.003 0.000 0.879 289 T HN 0.758 nan 8.240 nan 0.000 0.467 290 S N 0.841 116.543 115.700 0.002 0.000 2.496 290 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 290 S C 0.718 175.321 174.600 0.005 0.000 0.996 290 S CA -0.004 58.198 58.200 0.003 0.000 0.927 290 S CB -0.242 62.959 63.200 0.002 0.000 0.774 290 S HN 0.578 nan 8.310 nan 0.000 0.524 291 N N 0.701 119.405 118.700 0.006 0.000 2.732 291 N HA 0.293 5.033 4.740 -0.000 0.000 0.247 291 N C -2.913 172.603 175.510 0.011 0.000 1.305 291 N CA -1.347 51.708 53.050 0.008 0.000 0.762 291 N CB 1.264 39.757 38.487 0.009 0.000 1.361 291 N HN -0.124 nan 8.380 nan 0.000 0.545 292 P HA -0.152 nan 4.420 nan 0.000 0.220 292 P C 1.375 178.684 177.300 0.015 0.000 1.144 292 P CA 1.010 64.118 63.100 0.013 0.000 0.800 292 P CB 0.168 31.875 31.700 0.011 0.000 0.772 293 M N -1.871 117.738 119.600 0.014 0.000 2.254 293 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 293 M C 0.790 177.101 176.300 0.018 0.000 1.066 293 M CA 0.816 56.125 55.300 0.015 0.000 1.123 293 M CB -1.719 30.888 32.600 0.012 0.000 1.388 293 M HN -0.065 nan 8.290 nan 0.000 0.425 294 N N 1.846 120.557 118.700 0.019 0.000 2.401 294 N HA 0.417 5.157 4.740 -0.000 0.000 0.255 294 N C -1.243 174.285 175.510 0.030 0.000 1.110 294 N CA 0.022 53.086 53.050 0.023 0.000 0.949 294 N CB 0.550 39.049 38.487 0.020 0.000 1.110 294 N HN 0.184 nan 8.380 nan 0.000 0.490 295 A N 2.366 125.209 122.820 0.037 0.000 2.530 295 A HA 0.844 5.164 4.320 -0.000 0.000 0.288 295 A C -1.278 176.348 177.584 0.069 0.000 1.172 295 A CA -0.665 51.402 52.037 0.050 0.000 0.733 295 A CB 1.679 20.705 19.000 0.044 0.000 1.320 295 A HN 0.549 nan 8.150 nan 0.000 0.419 296 V N -1.301 118.672 119.914 0.099 0.000 3.147 296 V HA 0.812 4.932 4.120 -0.000 0.000 0.299 296 V C -0.602 175.606 176.094 0.190 0.000 1.302 296 V CA 0.359 62.746 62.300 0.144 0.000 1.015 296 V CB 1.955 33.898 31.823 0.201 0.000 1.086 296 V HN 2.259 nan 8.190 nan 0.000 0.437 297 A N 2.517 125.436 122.820 0.165 0.000 2.524 297 A HA 1.108 5.428 4.320 -0.000 0.000 0.289 297 A C 0.084 177.585 177.584 -0.138 0.000 1.248 297 A CA -0.047 52.065 52.037 0.126 0.000 0.712 297 A CB 1.504 20.522 19.000 0.031 0.000 1.312 297 A HN 2.574 nan 8.150 nan 0.000 0.441 298 G N -0.824 107.757 108.800 -0.366 0.000 2.350 298 G HA2 0.549 4.509 3.960 -0.000 0.000 0.276 298 G HA3 0.549 4.509 3.960 -0.000 0.000 0.276 298 G C -1.439 173.032 174.900 -0.714 0.000 1.313 298 G CA -0.147 44.389 45.100 -0.940 0.000 0.903 298 G HN 1.604 nan 8.290 nan 0.000 0.490 299 R N -0.965 119.085 120.500 -0.751 0.000 2.710 299 R HA 0.604 4.944 4.340 -0.000 0.000 0.270 299 R C -1.553 174.846 176.300 0.164 0.000 1.021 299 R CA -1.032 55.006 56.100 -0.103 0.000 0.889 299 R CB 1.183 31.448 30.300 -0.058 0.000 1.243 299 R HN 0.564 nan 8.270 nan 0.000 0.464 300 L N 2.315 123.735 121.223 0.329 0.000 2.315 300 L HA 0.301 4.641 4.340 -0.000 0.000 0.278 300 L C -0.314 176.789 176.870 0.389 0.000 1.088 300 L CA -0.952 54.127 54.840 0.399 0.000 0.899 300 L CB 1.480 43.701 42.059 0.270 0.000 1.277 300 L HN 0.307 nan 8.230 nan 0.000 0.431 301 V N 5.290 125.395 119.914 0.319 0.000 2.439 301 V HA 0.180 4.300 4.120 -0.000 0.000 0.271 301 V C -1.772 174.391 176.094 0.114 0.000 1.040 301 V CA -1.309 61.090 62.300 0.164 0.000 1.002 301 V CB 0.665 32.555 31.823 0.112 0.000 1.000 301 V HN 0.521 nan 8.190 nan 0.000 0.477 302 P HA 0.347 nan 4.420 nan 0.000 0.287 302 P C -1.533 175.500 177.300 -0.445 0.000 1.294 302 P CA -0.230 62.565 63.100 -0.509 0.000 0.776 302 P CB 0.582 31.932 31.700 -0.582 0.000 0.889 303 Y N 0.940 121.086 120.300 -0.256 0.000 2.485 303 Y HA 0.337 4.887 4.550 -0.000 0.000 0.345 303 Y C 0.449 176.256 175.900 -0.155 0.000 0.998 303 Y CA -1.201 56.810 58.100 -0.149 0.000 1.059 303 Y CB 1.843 40.250 38.460 -0.088 0.000 1.234 303 Y HN 0.066 nan 8.280 nan 0.000 0.461 304 V N 3.084 123.016 119.914 0.029 0.000 2.406 304 V HA 0.283 4.403 4.120 -0.000 0.000 0.272 304 V C -0.186 175.901 176.094 -0.012 0.000 1.043 304 V CA -0.590 61.694 62.300 -0.026 0.000 0.915 304 V CB 0.798 32.593 31.823 -0.047 0.000 0.988 304 V HN 0.749 nan 8.190 nan 0.000 0.466 305 E N 2.439 122.614 120.200 -0.041 0.000 2.277 305 E HA 0.409 4.759 4.350 -0.000 0.000 0.266 305 E C -1.448 175.092 176.600 -0.100 0.000 0.901 305 E CA -0.926 55.444 56.400 -0.050 0.000 0.782 305 E CB 2.039 31.720 29.700 -0.032 0.000 1.228 305 E HN 0.584 nan 8.360 nan 0.000 0.424 306 D N 1.959 122.303 120.400 -0.093 0.000 2.280 306 D HA 0.270 4.910 4.640 -0.000 0.000 0.243 306 D C -0.463 175.752 176.300 -0.143 0.000 1.129 306 D CA -0.201 53.723 54.000 -0.126 0.000 0.848 306 D CB 0.795 41.547 40.800 -0.080 0.000 1.107 306 D HN 0.184 nan 8.370 nan 0.000 0.471 307 I N 1.934 122.343 120.570 -0.269 0.000 2.354 307 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 307 I C 0.158 176.205 176.117 -0.117 0.000 0.989 307 I CA -0.788 60.358 61.300 -0.256 0.000 1.188 307 I CB 0.910 38.539 38.000 -0.619 0.000 1.342 307 I HN 0.253 nan 8.210 nan 0.000 0.457 308 A N 6.370 129.204 122.820 0.024 0.000 2.371 308 A HA 0.779 5.099 4.320 -0.000 0.000 0.311 308 A C -1.148 176.543 177.584 0.178 0.000 1.068 308 A CA -0.632 51.474 52.037 0.115 0.000 0.744 308 A CB 2.211 21.256 19.000 0.075 0.000 1.239 308 A HN 0.547 nan 8.150 nan 0.000 0.435 309 V N 2.100 122.169 119.914 0.258 0.000 2.733 309 V HA 0.530 4.650 4.120 -0.000 0.000 0.306 309 V C -1.773 174.418 176.094 0.162 0.000 1.084 309 V CA -0.812 61.623 62.300 0.226 0.000 0.905 309 V CB 2.053 34.043 31.823 0.278 0.000 1.010 309 V HN 0.867 nan 8.190 nan 0.000 0.424 310 D N 6.262 126.714 120.400 0.087 0.000 2.256 310 D HA 0.508 5.148 4.640 -0.000 0.000 0.250 310 D C -0.267 175.848 176.300 -0.308 0.000 1.093 310 D CA 0.415 54.334 54.000 -0.135 0.000 0.882 310 D CB 1.874 42.615 40.800 -0.099 0.000 1.185 310 D HN 0.585 nan 8.370 nan 0.000 0.437 311 I N 2.207 122.446 120.570 -0.550 0.000 2.418 311 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 311 I C -0.685 175.006 176.117 -0.711 0.000 1.008 311 I CA -0.812 60.143 61.300 -0.574 0.000 1.104 311 I CB 0.986 38.630 38.000 -0.594 0.000 1.264 311 I HN 0.052 nan 8.210 nan 0.000 0.438 312 F N 7.384 127.140 119.950 -0.324 0.000 2.415 312 F HA 0.568 5.095 4.527 -0.000 0.000 0.348 312 F C -0.185 175.480 175.800 -0.225 0.000 1.119 312 F CA -0.834 57.006 58.000 -0.267 0.000 1.069 312 F CB 1.322 40.191 39.000 -0.219 0.000 1.124 312 F HN 0.138 nan 8.300 nan 0.000 0.472 313 L N 0.098 121.278 121.223 -0.071 0.000 2.303 313 L HA 0.904 5.244 4.340 -0.000 0.000 0.256 313 L C -0.267 176.655 176.870 0.087 0.000 1.034 313 L CA -1.392 53.437 54.840 -0.019 0.000 0.832 313 L CB 0.856 42.891 42.059 -0.041 0.000 1.403 313 L HN 0.504 nan 8.230 nan 0.000 0.419 314 T N -2.517 112.149 114.554 0.187 0.000 2.924 314 T HA 0.937 5.287 4.350 -0.000 0.000 0.291 314 T C -0.056 174.789 174.700 0.241 0.000 1.045 314 T CA -0.299 61.958 62.100 0.261 0.000 1.015 314 T CB 1.829 70.825 68.868 0.214 0.000 1.103 314 T HN 1.166 nan 8.240 nan 0.000 0.496 315 G N 0.507 109.268 108.800 -0.066 0.000 2.662 315 G HA2 0.580 4.540 3.960 -0.000 0.000 0.302 315 G HA3 0.580 4.540 3.960 -0.000 0.000 0.302 315 G C -1.555 172.725 174.900 -1.032 0.000 1.389 315 G CA -0.936 43.693 45.100 -0.785 0.000 0.998 315 G HN 0.812 nan 8.290 nan 0.000 0.502 316 K N 1.631 121.196 120.400 -1.392 0.000 2.293 316 K HA 0.651 4.971 4.320 -0.000 0.000 0.267 316 K C -1.147 174.901 176.600 -0.919 0.000 1.010 316 K CA -0.520 55.170 56.287 -0.995 0.000 0.875 316 K CB 0.716 32.585 32.500 -1.053 0.000 1.106 316 K HN 0.327 nan 8.250 nan 0.000 0.450 317 F N 3.943 123.904 119.950 0.018 0.000 2.631 317 F HA 0.640 5.167 4.527 -0.000 0.000 0.328 317 F C -0.267 175.616 175.800 0.140 0.000 1.067 317 F CA -0.955 57.058 58.000 0.021 0.000 0.969 317 F CB 1.234 40.296 39.000 0.103 0.000 1.332 317 F HN 0.480 nan 8.300 nan 0.000 0.490 318 F N -2.043 117.969 119.950 0.104 0.000 2.842 318 F HA 0.702 5.229 4.527 -0.000 0.000 0.319 318 F C -1.310 174.449 175.800 -0.069 0.000 1.159 318 F CA -0.933 57.077 58.000 0.017 0.000 0.902 318 F CB 1.365 40.361 39.000 -0.006 0.000 1.311 318 F HN 0.528 nan 8.300 nan 0.000 0.453 319 T N 1.705 116.364 114.554 0.174 0.000 2.906 319 T HA 0.638 4.988 4.350 -0.000 0.000 0.295 319 T C -1.086 173.705 174.700 0.151 0.000 1.061 319 T CA -0.758 61.335 62.100 -0.012 0.000 1.000 319 T CB 1.254 70.022 68.868 -0.167 0.000 1.103 319 T HN 0.794 nan 8.240 nan 0.000 0.486 320 L N 3.941 125.212 121.223 0.081 0.000 2.416 320 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 320 L C 0.809 177.617 176.870 -0.104 0.000 1.161 320 L CA -0.113 54.767 54.840 0.066 0.000 0.845 320 L CB 0.404 42.534 42.059 0.119 0.000 1.119 320 L HN 0.642 nan 8.230 nan 0.000 0.464 321 N N 3.924 122.536 118.700 -0.147 0.000 2.609 321 N HA 0.321 5.061 4.740 -0.000 0.000 0.268 321 N C -2.673 172.676 175.510 -0.269 0.000 1.106 321 N CA -1.457 51.466 53.050 -0.211 0.000 0.823 321 N CB 1.712 40.083 38.487 -0.192 0.000 1.263 321 N HN 0.263 nan 8.380 nan 0.000 0.533 322 P HA 0.169 nan 4.420 nan 0.000 0.266 322 P C -2.513 174.684 177.300 -0.171 0.000 1.215 322 P CA -0.544 62.227 63.100 -0.547 0.000 0.763 322 P CB 0.342 31.533 31.700 -0.850 0.000 0.806 323 P HA 0.053 nan 4.420 nan 0.000 0.266 323 P C -0.579 176.830 177.300 0.181 0.000 1.193 323 P CA 0.663 63.802 63.100 0.066 0.000 0.770 323 P CB 0.438 32.168 31.700 0.050 0.000 0.836 324 L N 2.482 123.870 121.223 0.275 0.000 2.354 324 L HA 0.647 4.987 4.340 -0.000 0.000 0.269 324 L C 0.371 177.362 176.870 0.201 0.000 1.005 324 L CA -0.804 54.199 54.840 0.272 0.000 0.819 324 L CB 2.277 44.408 42.059 0.120 0.000 1.311 324 L HN 0.270 nan 8.230 nan 0.000 0.423 325 R N 2.593 123.120 120.500 0.046 0.000 2.532 325 R HA 0.725 5.065 4.340 -0.000 0.000 0.297 325 R C -1.658 174.582 176.300 -0.100 0.000 0.984 325 R CA -0.392 55.559 56.100 -0.248 0.000 0.884 325 R CB 1.419 31.230 30.300 -0.815 0.000 1.182 325 R HN 0.604 nan 8.270 nan 0.000 0.442 326 I N 3.587 124.119 120.570 -0.064 0.000 2.466 326 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 326 I C 0.018 176.127 176.117 -0.014 0.000 1.026 326 I CA -0.954 60.335 61.300 -0.018 0.000 1.078 326 I CB 2.297 40.309 38.000 0.019 0.000 1.249 326 I HN 0.631 nan 8.210 nan 0.000 0.429 327 T N 1.408 115.968 114.554 0.010 0.000 2.882 327 T HA 0.427 4.777 4.350 -0.000 0.000 0.287 327 T C -0.285 174.419 174.700 0.006 0.000 0.992 327 T CA -0.716 61.397 62.100 0.021 0.000 1.076 327 T CB 1.535 70.436 68.868 0.056 0.000 0.961 327 T HN 0.565 nan 8.240 nan 0.000 0.490 328 N N 2.443 121.160 118.700 0.029 0.000 2.640 328 N HA 0.238 4.978 4.740 -0.000 0.000 0.262 328 N C -1.582 174.010 175.510 0.137 0.000 1.174 328 N CA -0.571 52.505 53.050 0.044 0.000 0.791 328 N CB 0.484 38.990 38.487 0.031 0.000 1.279 328 N HN 0.589 nan 8.380 nan 0.000 0.535 329 N N 2.083 120.875 118.700 0.154 0.000 2.361 329 N HA 0.453 5.193 4.740 -0.000 0.000 0.302 329 N C -1.101 174.593 175.510 0.307 0.000 1.074 329 N CA -0.219 52.943 53.050 0.187 0.000 0.850 329 N CB 1.473 40.039 38.487 0.131 0.000 1.228 329 N HN 0.575 nan 8.380 nan 0.000 0.491 330 Y N -1.779 118.514 120.300 -0.010 0.000 2.638 330 Y HA 0.599 5.149 4.550 0.000 0.000 0.335 330 Y C -1.648 174.131 175.900 -0.202 0.000 1.155 330 Y CA -1.551 56.529 58.100 -0.035 0.000 1.046 330 Y CB 1.014 39.420 38.460 -0.089 0.000 1.303 330 Y HN 0.334 nan 8.280 nan 0.000 0.460 331 F N 2.201 121.929 119.950 -0.369 0.000 2.408 331 F HA 0.844 5.371 4.527 -0.000 0.000 0.344 331 F C -0.389 175.182 175.800 -0.382 0.000 1.112 331 F CA -0.192 57.416 58.000 -0.653 0.000 1.096 331 F CB 0.921 39.376 39.000 -0.909 0.000 1.129 331 F HN 0.920 nan 8.300 nan 0.000 0.486 332 A N 4.017 126.392 122.820 -0.741 0.000 2.594 332 A HA 0.444 4.764 4.320 -0.000 0.000 0.296 332 A C -0.632 176.689 177.584 -0.437 0.000 1.061 332 A CA -0.598 51.267 52.037 -0.288 0.000 0.689 332 A CB 0.779 19.806 19.000 0.046 0.000 1.280 332 A HN 0.775 nan 8.150 nan 0.000 0.406 333 D N 0.718 121.008 120.400 -0.183 0.000 2.911 333 D HA -0.192 4.448 4.640 -0.000 0.000 0.227 333 D C 0.097 176.219 176.300 -0.296 0.000 1.164 333 D CA 2.432 56.321 54.000 -0.185 0.000 0.782 333 D CB -0.708 39.985 40.800 -0.179 0.000 1.094 333 D HN 1.161 nan 8.370 nan 0.000 0.425 334 D N -0.611 119.542 120.400 -0.412 0.000 2.746 334 D HA -0.216 4.424 4.640 -0.000 0.000 0.241 334 D C 0.588 176.495 176.300 -0.655 0.000 1.140 334 D CA 1.835 55.607 54.000 -0.381 0.000 0.707 334 D CB -0.839 39.923 40.800 -0.063 0.000 1.034 334 D HN 0.748 nan 8.370 nan 0.000 0.423 335 E N -0.786 118.653 120.200 -1.269 0.000 3.566 335 E HA 0.260 4.610 4.350 -0.000 0.000 0.241 335 E C -0.630 175.477 176.600 -0.822 0.000 1.208 335 E CA 0.357 56.282 56.400 -0.793 0.000 1.773 335 E CB 0.919 30.289 29.700 -0.550 0.000 1.818 335 E HN 0.226 nan 8.360 nan 0.000 0.865 336 V N 2.257 121.561 119.914 -1.016 0.000 3.003 336 V HA -0.118 4.002 4.120 -0.000 0.000 0.434 336 V C -1.350 174.360 176.094 -0.640 0.000 0.682 336 V CA 0.255 62.037 62.300 -0.863 0.000 1.964 336 V CB -0.370 30.987 31.823 -0.777 0.000 2.454 336 V HN 0.214 nan 8.190 nan 0.000 0.487 337 K N 4.456 124.408 120.400 -0.746 0.000 2.234 337 K HA 0.615 4.935 4.320 -0.000 0.000 0.277 337 K C -0.108 176.259 176.600 -0.389 0.000 1.038 337 K CA -0.525 55.396 56.287 -0.609 0.000 0.888 337 K CB 1.785 33.754 32.500 -0.886 0.000 1.091 337 K HN 0.666 nan 8.250 nan 0.000 0.467 338 E N 2.613 122.685 120.200 -0.214 0.000 2.166 338 E HA 0.265 4.615 4.350 -0.000 0.000 0.275 338 E C -0.631 175.943 176.600 -0.042 0.000 0.941 338 E CA -0.736 55.608 56.400 -0.093 0.000 0.784 338 E CB 1.364 31.021 29.700 -0.072 0.000 1.115 338 E HN 0.437 nan 8.360 nan 0.000 0.399 339 N N 1.157 119.863 118.700 0.010 0.000 2.321 339 N HA 0.504 5.244 4.740 -0.000 0.000 0.290 339 N C -1.174 174.344 175.510 0.014 0.000 1.212 339 N CA -0.533 52.530 53.050 0.022 0.000 0.767 339 N CB 2.487 41.013 38.487 0.065 0.000 1.494 339 N HN 0.267 nan 8.380 nan 0.000 0.479 340 T N 0.058 114.612 114.554 0.000 0.000 3.097 340 T HA 0.442 4.792 4.350 -0.000 0.000 0.332 340 T C -0.768 173.918 174.700 -0.023 0.000 1.269 340 T CA -0.649 61.441 62.100 -0.016 0.000 1.076 340 T CB 1.596 70.446 68.868 -0.031 0.000 1.209 340 T HN 0.389 nan 8.240 nan 0.000 0.474 341 V N 0.100 119.995 119.914 -0.032 0.000 3.007 341 V HA 1.030 5.150 4.120 -0.000 0.000 0.311 341 V C -0.417 175.646 176.094 -0.051 0.000 1.120 341 V CA -0.934 61.350 62.300 -0.027 0.000 0.980 341 V CB 1.920 33.740 31.823 -0.004 0.000 1.033 341 V HN 1.058 nan 8.190 nan 0.000 0.429 342 T N 0.688 115.222 114.554 -0.033 0.000 2.893 342 T HA 0.838 5.188 4.350 -0.000 0.000 0.291 342 T C -0.748 173.980 174.700 0.046 0.000 1.028 342 T CA -0.612 61.475 62.100 -0.022 0.000 0.995 342 T CB 1.793 70.641 68.868 -0.033 0.000 1.051 342 T HN 0.810 nan 8.240 nan 0.000 0.470 343 I N 1.705 122.332 120.570 0.095 0.000 2.447 343 I HA 0.635 4.805 4.170 -0.000 0.000 0.287 343 I C 0.774 176.976 176.117 0.141 0.000 1.023 343 I CA -0.303 61.062 61.300 0.109 0.000 1.083 343 I CB 1.344 39.409 38.000 0.109 0.000 1.245 343 I HN 1.313 nan 8.210 nan 0.000 0.434 344 G N 4.953 113.822 108.800 0.115 0.000 2.728 344 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.294 344 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.294 344 G C -0.548 174.417 174.900 0.108 0.000 1.342 344 G CA -0.603 44.555 45.100 0.097 0.000 0.866 344 G HN 0.834 nan 8.290 nan 0.000 0.534 345 N N 0.175 118.922 118.700 0.079 0.000 2.807 345 N HA 0.350 5.090 4.740 -0.000 0.000 0.259 345 N C -0.057 175.515 175.510 0.104 0.000 1.149 345 N CA -0.423 52.676 53.050 0.082 0.000 1.042 345 N CB -0.066 38.447 38.487 0.043 0.000 1.367 345 N HN 0.543 nan 8.380 nan 0.000 0.516 346 Y N 2.390 122.712 120.300 0.037 0.000 2.425 346 Y HA -0.017 4.533 4.550 0.000 0.000 0.331 346 Y C 1.582 177.508 175.900 0.043 0.000 1.157 346 Y CA 0.672 58.799 58.100 0.045 0.000 1.372 346 Y CB 0.883 39.368 38.460 0.042 0.000 1.253 346 Y HN 0.503 nan 8.280 nan 0.000 0.536 347 T N -0.917 113.582 114.554 -0.091 0.000 3.257 347 T HA 0.283 4.633 4.350 -0.000 0.000 0.176 347 T C 0.309 175.044 174.700 0.059 0.000 0.892 347 T CA 0.346 62.456 62.100 0.016 0.000 1.147 347 T CB -0.058 68.787 68.868 -0.038 0.000 1.840 347 T HN 0.559 nan 8.240 nan 0.000 0.375 348 T N 1.152 115.676 114.554 -0.051 0.000 2.912 348 T HA 0.605 4.955 4.350 -0.000 0.000 0.288 348 T C -0.447 174.240 174.700 -0.022 0.000 1.030 348 T CA -0.649 61.471 62.100 0.034 0.000 1.020 348 T CB 1.367 70.251 68.868 0.027 0.000 1.056 348 T HN 0.369 nan 8.240 nan 0.000 0.480 349 T N 2.723 117.353 114.554 0.127 0.000 2.851 349 T HA 0.233 4.583 4.350 -0.000 0.000 0.298 349 T C 1.057 175.806 174.700 0.081 0.000 0.977 349 T CA -0.485 61.703 62.100 0.146 0.000 1.126 349 T CB 0.873 69.885 68.868 0.239 0.000 0.916 349 T HN 0.617 nan 8.240 nan 0.000 0.529 350 L N 3.375 124.642 121.223 0.073 0.000 2.357 350 L HA 0.323 4.663 4.340 -0.000 0.000 0.211 350 L C 0.748 177.677 176.870 0.100 0.000 1.075 350 L CA 0.918 55.802 54.840 0.074 0.000 0.830 350 L CB 0.119 42.233 42.059 0.093 0.000 0.996 350 L HN 0.854 nan 8.230 nan 0.000 0.467 351 S N -3.277 112.498 115.700 0.127 0.000 2.655 351 S HA 0.345 4.815 4.470 -0.000 0.000 0.263 351 S C -0.609 174.082 174.600 0.153 0.000 1.091 351 S CA -0.606 57.676 58.200 0.136 0.000 0.865 351 S CB -0.064 63.212 63.200 0.128 0.000 1.146 351 S HN 0.005 nan 8.310 nan 0.000 0.482 352 S N 0.609 116.404 115.700 0.158 0.000 2.632 352 S HA 0.753 5.223 4.470 -0.000 0.000 0.271 352 S C 0.583 175.236 174.600 0.088 0.000 1.260 352 S CA -0.066 58.211 58.200 0.128 0.000 1.010 352 S CB 0.883 64.221 63.200 0.230 0.000 0.965 352 S HN 1.283 nan 8.310 nan 0.000 0.534 353 A N 1.300 124.129 122.820 0.015 0.000 2.511 353 A HA 0.176 4.496 4.320 -0.000 0.000 0.242 353 A C 0.696 178.348 177.584 0.113 0.000 1.069 353 A CA -0.052 52.021 52.037 0.061 0.000 0.763 353 A CB -0.378 18.627 19.000 0.009 0.000 1.001 353 A HN 0.978 nan 8.150 nan 0.000 0.498 354 Y N 2.554 122.890 120.300 0.060 0.000 2.165 354 Y HA -0.112 4.438 4.550 0.000 0.000 0.286 354 Y C 0.476 176.456 175.900 0.133 0.000 1.155 354 Y CA 2.516 60.669 58.100 0.088 0.000 1.164 354 Y CB -0.200 38.311 38.460 0.085 0.000 0.978 354 Y HN 0.658 nan 8.280 nan 0.000 0.513 355 Y N -0.209 120.106 120.300 0.025 0.000 2.512 355 Y HA 0.653 5.203 4.550 0.000 0.000 0.348 355 Y C -1.340 174.530 175.900 -0.049 0.000 0.990 355 Y CA -0.979 57.089 58.100 -0.053 0.000 1.033 355 Y CB 1.729 40.252 38.460 0.105 0.000 1.259 355 Y HN 0.018 nan 8.280 nan 0.000 0.461 356 A N 4.207 126.627 122.820 -0.666 0.000 2.534 356 A HA 0.615 4.935 4.320 -0.000 0.000 0.300 356 A C -2.396 174.653 177.584 -0.892 0.000 1.054 356 A CA -0.513 51.173 52.037 -0.585 0.000 0.858 356 A CB 0.598 19.353 19.000 -0.408 0.000 1.333 356 A HN 0.614 nan 8.150 nan 0.000 0.391 357 V N 2.485 121.929 119.914 -0.783 0.000 2.735 357 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 357 V C -1.311 174.379 176.094 -0.675 0.000 1.061 357 V CA -0.524 61.398 62.300 -0.629 0.000 0.913 357 V CB 1.793 33.460 31.823 -0.259 0.000 1.005 357 V HN 0.789 nan 8.190 nan 0.000 0.428 358 Y N 2.223 122.412 120.300 -0.185 0.000 2.391 358 Y HA 0.548 5.098 4.550 0.000 0.000 0.341 358 Y C -0.006 175.952 175.900 0.097 0.000 0.965 358 Y CA -0.785 57.276 58.100 -0.064 0.000 1.067 358 Y CB 1.872 40.251 38.460 -0.136 0.000 1.199 358 Y HN 0.466 nan 8.280 nan 0.000 0.450 359 K N 2.796 123.332 120.400 0.227 0.000 2.240 359 K HA 0.543 4.863 4.320 -0.000 0.000 0.271 359 K C -0.724 175.927 176.600 0.085 0.000 1.018 359 K CA -0.360 56.000 56.287 0.122 0.000 0.874 359 K CB 0.844 33.281 32.500 -0.106 0.000 1.098 359 K HN 0.847 nan 8.250 nan 0.000 0.458 360 T N -0.035 114.579 114.554 0.100 0.000 2.908 360 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 360 T C 0.317 175.014 174.700 -0.005 0.000 1.034 360 T CA -0.788 61.346 62.100 0.056 0.000 1.010 360 T CB 1.467 70.403 68.868 0.114 0.000 1.068 360 T HN 0.613 nan 8.240 nan 0.000 0.481 361 D N -0.394 119.983 120.400 -0.039 0.000 2.360 361 D HA 0.268 4.908 4.640 -0.000 0.000 0.210 361 D C 1.669 177.941 176.300 -0.047 0.000 1.047 361 D CA 0.476 54.469 54.000 -0.013 0.000 0.854 361 D CB -0.365 40.444 40.800 0.015 0.000 0.936 361 D HN 1.205 nan 8.370 nan 0.000 0.514 362 G N -0.290 108.409 108.800 -0.169 0.000 2.195 362 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 362 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 362 G C 0.076 174.564 174.900 -0.688 0.000 0.984 362 G CA 0.218 45.084 45.100 -0.391 0.000 0.633 362 G HN 0.400 nan 8.290 nan 0.000 0.525 363 Y N 0.009 120.092 120.300 -0.363 0.000 2.629 363 Y HA 0.455 5.005 4.550 -0.000 0.000 0.282 363 Y C 1.655 176.915 175.900 -1.066 0.000 0.994 363 Y CA 0.017 57.776 58.100 -0.569 0.000 1.126 363 Y CB 0.974 39.319 38.460 -0.191 0.000 1.187 363 Y HN 0.931 nan 8.280 nan 0.000 0.600 364 G N -0.293 107.682 108.800 -1.374 0.000 2.199 364 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.254 364 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.254 364 G C 0.598 175.319 174.900 -0.297 0.000 0.982 364 G CA -0.115 44.463 45.100 -0.870 0.000 0.632 364 G HN 0.795 nan 8.290 nan 0.000 0.529 365 G N -0.073 108.597 108.800 -0.217 0.000 2.338 365 G HA2 0.819 4.779 3.960 -0.000 0.000 0.298 365 G HA3 0.819 4.779 3.960 -0.000 0.000 0.298 365 G C -0.162 174.699 174.900 -0.064 0.000 1.140 365 G CA 0.510 45.551 45.100 -0.098 0.000 0.860 365 G HN 1.688 nan 8.290 nan 0.000 0.470 366 A N 1.876 124.682 122.820 -0.022 0.000 2.540 366 A HA 0.753 5.073 4.320 -0.000 0.000 0.297 366 A C -0.364 177.250 177.584 0.050 0.000 1.056 366 A CA -0.605 51.448 52.037 0.027 0.000 0.700 366 A CB 1.587 20.624 19.000 0.063 0.000 1.280 366 A HN 0.670 nan 8.150 nan 0.000 0.398 367 T N 1.739 116.327 114.554 0.058 0.000 2.758 367 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 367 T C -0.340 174.425 174.700 0.108 0.000 0.981 367 T CA -0.134 62.001 62.100 0.058 0.000 0.965 367 T CB 0.046 68.924 68.868 0.017 0.000 0.927 367 T HN 0.880 nan 8.240 nan 0.000 0.448 368 C N 2.938 122.301 119.300 0.106 0.000 2.634 368 C HA 0.776 5.236 4.460 -0.000 0.000 0.313 368 C C -0.610 174.408 174.990 0.046 0.000 1.198 368 C CA -1.390 57.664 59.018 0.060 0.000 1.605 368 C CB 0.344 28.168 27.740 0.142 0.000 2.196 368 C HN 0.897 nan 8.230 nan 0.000 0.486 369 F N 2.270 122.147 119.950 -0.122 0.000 2.445 369 F HA 0.770 5.297 4.527 -0.000 0.000 0.348 369 F C -0.675 175.111 175.800 -0.023 0.000 1.125 369 F CA -0.821 57.164 58.000 -0.024 0.000 0.983 369 F CB 0.420 39.453 39.000 0.055 0.000 1.198 369 F HN 0.520 nan 8.300 nan 0.000 0.436 370 I N 5.727 126.020 120.570 -0.462 0.000 2.436 370 I HA 0.622 4.792 4.170 -0.000 0.000 0.289 370 I C -0.670 175.279 176.117 -0.280 0.000 1.010 370 I CA -0.895 60.261 61.300 -0.240 0.000 1.098 370 I CB 1.894 39.805 38.000 -0.148 0.000 1.266 370 I HN 0.700 nan 8.210 nan 0.000 0.434 371 A N 3.802 126.618 122.820 -0.007 0.000 2.311 371 A HA 0.486 4.806 4.320 -0.000 0.000 0.306 371 A C 0.759 178.404 177.584 0.101 0.000 1.189 371 A CA -0.447 51.608 52.037 0.031 0.000 0.791 371 A CB 1.086 20.183 19.000 0.163 0.000 1.172 371 A HN 0.821 nan 8.150 nan 0.000 0.481 372 S N 2.351 118.066 115.700 0.025 0.000 2.383 372 S HA 0.128 4.598 4.470 -0.000 0.000 0.227 372 S C 1.077 175.730 174.600 0.089 0.000 1.026 372 S CA 1.008 59.235 58.200 0.045 0.000 0.981 372 S CB -0.258 62.919 63.200 -0.038 0.000 0.818 372 S HN 1.285 nan 8.310 nan 0.000 0.472 373 G N -0.618 108.190 108.800 0.013 0.000 2.887 373 G HA2 0.537 4.497 3.960 -0.000 0.000 0.277 373 G HA3 0.537 4.497 3.960 -0.000 0.000 0.277 373 G C 0.657 175.393 174.900 -0.274 0.000 1.346 373 G CA -0.374 44.664 45.100 -0.103 0.000 1.058 373 G HN 0.312 nan 8.290 nan 0.000 0.535 374 G N -1.385 107.024 108.800 -0.651 0.000 2.712 374 G HA2 0.481 4.441 3.960 -0.000 0.000 0.212 374 G HA3 0.481 4.441 3.960 -0.000 0.000 0.212 374 G C 0.486 175.209 174.900 -0.296 0.000 1.142 374 G CA 1.481 46.112 45.100 -0.782 0.000 0.789 374 G HN 1.195 nan 8.290 nan 0.000 0.535 375 A N -2.252 120.427 122.820 -0.235 0.000 2.588 375 A HA 0.852 5.172 4.320 -0.000 0.000 0.290 375 A C 0.397 177.876 177.584 -0.176 0.000 1.136 375 A CA 0.242 52.161 52.037 -0.197 0.000 0.681 375 A CB 0.588 19.479 19.000 -0.182 0.000 1.282 375 A HN 1.882 nan 8.150 nan 0.000 0.421 376 G N -0.911 107.774 108.800 -0.192 0.000 2.615 376 G HA2 0.287 4.247 3.960 -0.000 0.000 0.218 376 G HA3 0.287 4.247 3.960 -0.000 0.000 0.218 376 G C -0.067 174.723 174.900 -0.183 0.000 1.339 376 G CA -0.103 44.877 45.100 -0.199 0.000 0.884 376 G HN 2.214 nan 8.290 nan 0.000 0.559 377 I N 1.272 121.719 120.570 -0.206 0.000 2.989 377 I HA 0.359 4.529 4.170 -0.000 0.000 0.311 377 I C 0.679 176.768 176.117 -0.046 0.000 1.221 377 I CA 1.326 62.540 61.300 -0.142 0.000 1.449 377 I CB 0.106 38.013 38.000 -0.156 0.000 1.325 377 I HN 0.851 nan 8.210 nan 0.000 0.557 378 S N 5.240 120.966 115.700 0.043 0.000 2.588 378 S HA 0.905 5.375 4.470 -0.000 0.000 0.275 378 S C -0.964 173.577 174.600 -0.099 0.000 1.130 378 S CA -0.472 57.657 58.200 -0.118 0.000 0.855 378 S CB 1.843 64.904 63.200 -0.231 0.000 1.116 378 S HN 0.882 nan 8.310 nan 0.000 0.472 379 A N 1.381 123.969 122.820 -0.387 0.000 2.343 379 A HA 0.761 5.081 4.320 -0.000 0.000 0.308 379 A C -1.291 176.062 177.584 -0.385 0.000 1.092 379 A CA -0.548 51.252 52.037 -0.395 0.000 0.751 379 A CB 0.766 19.524 19.000 -0.403 0.000 1.203 379 A HN 0.659 nan 8.150 nan 0.000 0.452 380 L N 3.989 125.136 121.223 -0.127 0.000 2.255 380 L HA 0.599 4.939 4.340 -0.000 0.000 0.289 380 L C -0.835 176.018 176.870 -0.028 0.000 1.046 380 L CA 0.031 54.893 54.840 0.036 0.000 0.816 380 L CB 1.019 43.233 42.059 0.258 0.000 1.197 380 L HN 0.417 nan 8.230 nan 0.000 0.427 381 V N 4.679 124.577 119.914 -0.028 0.000 2.513 381 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 381 V C -0.394 175.712 176.094 0.021 0.000 1.035 381 V CA -0.783 61.504 62.300 -0.021 0.000 0.889 381 V CB 1.709 33.519 31.823 -0.023 0.000 0.988 381 V HN 0.615 nan 8.190 nan 0.000 0.440 382 Q N 4.862 124.671 119.800 0.014 0.000 2.325 382 Q HA 0.674 5.014 4.340 -0.000 0.000 0.262 382 Q C -1.112 174.897 176.000 0.014 0.000 0.968 382 Q CA -0.225 55.589 55.803 0.017 0.000 0.877 382 Q CB 2.572 31.317 28.738 0.012 0.000 1.253 382 Q HN 0.605 nan 8.270 nan 0.000 0.448 383 L N 1.667 122.899 121.223 0.016 0.000 2.333 383 L HA 0.550 4.890 4.340 -0.000 0.000 0.263 383 L C -0.471 176.395 176.870 -0.007 0.000 1.014 383 L CA -1.014 53.832 54.840 0.009 0.000 0.820 383 L CB 2.156 44.227 42.059 0.019 0.000 1.352 383 L HN 0.398 nan 8.230 nan 0.000 0.421 384 Q N 1.885 121.681 119.800 -0.006 0.000 2.374 384 Q HA 0.292 4.631 4.340 -0.000 0.000 0.250 384 Q C -0.708 175.296 176.000 0.006 0.000 0.918 384 Q CA -0.164 55.629 55.803 -0.016 0.000 0.778 384 Q CB 1.000 29.730 28.738 -0.014 0.000 1.328 384 Q HN 0.675 nan 8.270 nan 0.000 0.445 385 D N 2.010 122.420 120.400 0.018 0.000 3.845 385 D HA -0.269 4.371 4.640 -0.000 0.000 0.144 385 D C 0.199 176.530 176.300 0.051 0.000 0.889 385 D CA 1.879 55.928 54.000 0.082 0.000 1.096 385 D CB -0.699 40.155 40.800 0.091 0.000 0.515 385 D HN 0.802 nan 8.370 nan 0.000 0.525 386 N N 0.823 119.545 118.700 0.037 0.000 2.320 386 N HA 0.070 4.810 4.740 -0.000 0.000 0.237 386 N C -0.986 174.532 175.510 0.013 0.000 1.129 386 N CA 0.030 53.092 53.050 0.020 0.000 0.854 386 N CB 0.512 39.006 38.487 0.011 0.000 1.083 386 N HN 0.039 nan 8.380 nan 0.000 0.504 387 S N 0.266 115.973 115.700 0.013 0.000 2.456 387 S HA 0.338 4.808 4.470 -0.000 0.000 0.316 387 S C -0.163 174.442 174.600 0.009 0.000 1.089 387 S CA -0.653 57.553 58.200 0.009 0.000 1.101 387 S CB 2.077 65.281 63.200 0.007 0.000 0.995 387 S HN 0.052 nan 8.310 nan 0.000 0.468 388 V N 5.988 125.909 119.914 0.011 0.000 2.352 388 V HA 0.115 4.235 4.120 -0.000 0.000 0.253 388 V C 1.222 177.322 176.094 0.009 0.000 1.083 388 V CA 0.055 62.361 62.300 0.011 0.000 0.993 388 V CB -0.269 31.563 31.823 0.015 0.000 1.111 388 V HN 0.868 nan 8.190 nan 0.000 0.490 389 L N 2.234 123.461 121.223 0.007 0.000 2.156 389 L HA 0.157 4.497 4.340 -0.000 0.000 0.208 389 L C 0.717 177.592 176.870 0.008 0.000 1.095 389 L CA 1.053 55.897 54.840 0.006 0.000 0.770 389 L CB -0.063 41.997 42.059 0.003 0.000 0.914 389 L HN 0.678 nan 8.230 nan 0.000 0.439 390 D N -2.081 118.322 120.400 0.006 0.000 2.685 390 D HA 0.404 5.044 4.640 -0.000 0.000 0.236 390 D C -1.547 174.744 176.300 -0.014 0.000 1.233 390 D CA -0.260 53.743 54.000 0.005 0.000 0.760 390 D CB 2.115 42.922 40.800 0.012 0.000 1.410 390 D HN -0.289 nan 8.370 nan 0.000 0.439 391 V N 2.152 122.047 119.914 -0.031 0.000 2.612 391 V HA 0.588 4.708 4.120 -0.000 0.000 0.301 391 V C -1.146 174.865 176.094 -0.138 0.000 1.059 391 V CA -0.677 61.544 62.300 -0.131 0.000 0.886 391 V CB 1.487 33.208 31.823 -0.169 0.000 1.007 391 V HN 0.566 nan 8.190 nan 0.000 0.426 392 L N 5.677 126.817 121.223 -0.137 0.000 2.356 392 L HA 0.684 5.024 4.340 -0.000 0.000 0.277 392 L C -1.185 175.652 176.870 -0.054 0.000 0.996 392 L CA -0.300 54.524 54.840 -0.027 0.000 0.822 392 L CB 1.495 43.623 42.059 0.115 0.000 1.256 392 L HN 0.546 nan 8.230 nan 0.000 0.413 393 Y N 4.691 125.036 120.300 0.075 0.000 2.313 393 Y HA 0.506 5.056 4.550 -0.000 0.000 0.332 393 Y C -0.478 175.553 175.900 0.219 0.000 1.071 393 Y CA 0.256 58.477 58.100 0.202 0.000 1.169 393 Y CB 0.870 39.486 38.460 0.259 0.000 1.192 393 Y HN 0.491 nan 8.280 nan 0.000 0.487 394 Y N -0.066 120.541 120.300 0.511 0.000 2.730 394 Y HA 0.631 5.181 4.550 -0.000 0.000 0.325 394 Y C -0.103 176.019 175.900 0.370 0.000 1.132 394 Y CA -1.202 57.253 58.100 0.591 0.000 1.206 394 Y CB 1.921 40.821 38.460 0.733 0.000 1.390 394 Y HN 0.406 nan 8.280 nan 0.000 0.555 395 S N 0.679 116.629 115.700 0.416 0.000 2.619 395 S HA 0.540 5.010 4.470 -0.000 0.000 0.280 395 S C -1.724 172.717 174.600 -0.264 0.000 1.150 395 S CA -0.678 57.517 58.200 -0.008 0.000 0.978 395 S CB 0.245 63.336 63.200 -0.182 0.000 1.041 395 S HN 0.549 nan 8.310 nan 0.000 0.485 396 L N 5.484 126.484 121.223 -0.371 0.000 2.313 396 L HA 0.403 4.743 4.340 -0.000 0.000 0.282 396 L C -2.186 174.410 176.870 -0.456 0.000 1.092 396 L CA -2.019 52.424 54.840 -0.662 0.000 0.831 396 L CB 0.888 42.683 42.059 -0.439 0.000 1.159 396 L HN 0.454 nan 8.230 nan 0.000 0.442 397 P HA 0.049 nan 4.420 nan 0.000 0.268 397 P C 0.806 177.994 177.300 -0.187 0.000 1.205 397 P CA -0.179 62.781 63.100 -0.234 0.000 0.771 397 P CB 0.740 32.354 31.700 -0.143 0.000 0.858 398 L N 1.954 123.101 121.223 -0.126 0.000 2.187 398 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 398 L C 2.238 179.062 176.870 -0.075 0.000 1.100 398 L CA 1.989 56.767 54.840 -0.102 0.000 0.765 398 L CB -0.796 41.217 42.059 -0.077 0.000 0.904 398 L HN 0.466 nan 8.230 nan 0.000 0.437 399 S N -0.287 115.379 115.700 -0.056 0.000 2.469 399 S HA -0.133 4.337 4.470 -0.000 0.000 0.238 399 S C 1.736 176.321 174.600 -0.025 0.000 0.998 399 S CA 0.766 58.950 58.200 -0.026 0.000 0.957 399 S CB -0.533 62.667 63.200 0.001 0.000 0.764 399 S HN 0.463 nan 8.310 nan 0.000 0.514 400 L N 1.044 122.231 121.223 -0.059 0.000 2.552 400 L HA 0.198 4.538 4.340 -0.000 0.000 0.227 400 L C 1.900 178.757 176.870 -0.022 0.000 1.146 400 L CA 0.307 55.120 54.840 -0.044 0.000 0.858 400 L CB -1.225 40.768 42.059 -0.110 0.000 0.969 400 L HN 0.573 nan 8.230 nan 0.000 0.451 401 G N 0.633 109.413 108.800 -0.033 0.000 2.321 401 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.287 401 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.287 401 G C 1.064 175.966 174.900 0.004 0.000 1.018 401 G CA 0.498 45.587 45.100 -0.018 0.000 0.855 401 G HN 0.662 nan 8.290 nan 0.000 0.507 402 G N -1.453 107.340 108.800 -0.012 0.000 2.212 402 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.267 402 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.267 402 G C 0.670 175.701 174.900 0.220 0.000 1.002 402 G CA 1.309 46.455 45.100 0.077 0.000 0.729 402 G HN 2.201 nan 8.290 nan 0.000 0.517 403 S N -0.046 115.726 115.700 0.118 0.000 2.488 403 S HA 0.386 4.856 4.470 -0.000 0.000 0.278 403 S C 1.797 176.475 174.600 0.130 0.000 1.259 403 S CA 0.419 58.690 58.200 0.119 0.000 1.061 403 S CB 0.970 64.217 63.200 0.078 0.000 0.910 403 S HN 0.344 nan 8.310 nan 0.000 0.491 404 K N 4.838 125.327 120.400 0.149 0.000 2.020 404 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 404 K C 2.072 178.771 176.600 0.165 0.000 1.050 404 K CA 2.010 58.407 56.287 0.184 0.000 0.929 404 K CB -1.063 31.501 32.500 0.106 0.000 0.714 404 K HN 0.798 nan 8.250 nan 0.000 0.443 405 A N 0.708 123.602 122.820 0.123 0.000 1.908 405 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 405 A C 2.387 180.055 177.584 0.140 0.000 1.181 405 A CA 2.353 54.468 52.037 0.131 0.000 0.627 405 A CB -0.674 18.396 19.000 0.115 0.000 0.818 405 A HN 0.463 nan 8.150 nan 0.000 0.445 406 A N -0.125 122.760 122.820 0.109 0.000 1.873 406 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 406 A C 2.109 179.750 177.584 0.095 0.000 1.186 406 A CA 1.420 53.517 52.037 0.100 0.000 0.616 406 A CB -0.577 18.464 19.000 0.068 0.000 0.823 406 A HN 0.483 nan 8.150 nan 0.000 0.442 407 I N -0.067 120.513 120.570 0.018 0.000 2.226 407 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 407 I C 1.871 177.962 176.117 -0.044 0.000 1.100 407 I CA 1.393 62.617 61.300 -0.126 0.000 1.374 407 I CB -0.505 37.214 38.000 -0.469 0.000 1.057 407 I HN 0.217 nan 8.210 nan 0.000 0.413 408 D N 0.798 121.252 120.400 0.089 0.000 2.133 408 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 408 D C 2.173 178.611 176.300 0.230 0.000 0.997 408 D CA 1.191 55.283 54.000 0.154 0.000 0.840 408 D CB -0.181 40.670 40.800 0.086 0.000 0.947 408 D HN 0.316 nan 8.370 nan 0.000 0.452 409 E N -0.579 119.762 120.200 0.235 0.000 2.072 409 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 409 E C 2.086 178.759 176.600 0.121 0.000 0.985 409 E CA 0.362 56.882 56.400 0.200 0.000 0.801 409 E CB -0.522 29.281 29.700 0.172 0.000 0.750 409 E HN 0.477 nan 8.360 nan 0.000 0.452 410 W N 1.444 122.712 121.300 -0.054 0.000 2.358 410 W HA -0.188 4.472 4.660 -0.000 0.000 0.303 410 W C 2.125 178.528 176.519 -0.194 0.000 1.208 410 W CA 1.354 58.635 57.345 -0.105 0.000 1.274 410 W CB -0.123 29.259 29.460 -0.130 0.000 1.138 410 W HN -0.183 nan 8.180 nan 0.000 0.515 411 V N 1.039 120.967 119.914 0.023 0.000 2.358 411 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 411 V C 2.473 178.435 176.094 -0.220 0.000 1.047 411 V CA 2.026 64.158 62.300 -0.280 0.000 1.035 411 V CB -1.593 29.975 31.823 -0.425 0.000 0.658 411 V HN 0.317 nan 8.190 nan 0.000 0.452 412 A N 0.579 123.375 122.820 -0.039 0.000 1.908 412 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 412 A C 2.045 179.564 177.584 -0.108 0.000 1.181 412 A CA 2.201 54.249 52.037 0.018 0.000 0.627 412 A CB -0.653 18.416 19.000 0.115 0.000 0.818 412 A HN 0.606 nan 8.150 nan 0.000 0.445 413 N N 0.151 118.732 118.700 -0.198 0.000 2.270 413 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 413 N C 1.051 176.353 175.510 -0.345 0.000 1.016 413 N CA 1.626 54.524 53.050 -0.254 0.000 0.870 413 N CB -0.513 37.807 38.487 -0.277 0.000 0.979 413 N HN 0.646 nan 8.380 nan 0.000 0.431 414 N N -1.114 117.245 118.700 -0.567 0.000 2.356 414 N HA 0.116 4.856 4.740 -0.000 0.000 0.178 414 N C 0.531 175.839 175.510 -0.336 0.000 1.075 414 N CA 0.248 52.972 53.050 -0.543 0.000 0.889 414 N CB 0.488 38.331 38.487 -1.073 0.000 0.999 414 N HN 0.165 nan 8.380 nan 0.000 0.464 415 C N -1.391 117.715 119.300 -0.323 0.000 3.785 415 C HA 0.526 4.986 4.460 -0.000 0.000 0.312 415 C C 1.415 176.371 174.990 -0.055 0.000 1.566 415 C CA -0.331 58.566 59.018 -0.200 0.000 1.837 415 C CB -0.273 27.292 27.740 -0.292 0.000 2.826 415 C HN 0.489 nan 8.230 nan 0.000 0.667 416 G N 1.328 110.107 108.800 -0.035 0.000 2.198 416 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 416 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 416 G C -0.490 174.533 174.900 0.205 0.000 1.025 416 G CA 0.607 45.749 45.100 0.070 0.000 0.769 416 G HN 0.514 nan 8.290 nan 0.000 0.507 417 L N -0.387 120.943 121.223 0.178 0.000 2.365 417 L HA 0.968 5.308 4.340 -0.000 0.000 0.273 417 L C -0.860 176.210 176.870 0.334 0.000 1.000 417 L CA -1.896 53.136 54.840 0.319 0.000 0.819 417 L CB 1.615 43.787 42.059 0.189 0.000 1.284 417 L HN 0.214 nan 8.230 nan 0.000 0.418 418 F N 6.194 126.265 119.950 0.203 0.000 2.608 418 F HA 0.614 5.141 4.527 -0.000 0.000 0.309 418 F C -2.356 173.437 175.800 -0.011 0.000 1.103 418 F CA -1.542 56.461 58.000 0.005 0.000 0.954 418 F CB 2.485 41.386 39.000 -0.163 0.000 1.267 418 F HN 0.438 nan 8.300 nan 0.000 0.444 419 P HA 0.034 nan 4.420 nan 0.000 0.237 419 P C 0.635 177.791 177.300 -0.240 0.000 1.788 419 P CA 0.032 62.922 63.100 -0.349 0.000 1.061 419 P CB 0.112 31.567 31.700 -0.410 0.000 1.967 420 M N 0.271 119.777 119.600 -0.156 0.000 2.346 420 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 420 M C 1.498 177.824 176.300 0.042 0.000 1.064 420 M CA 1.427 56.643 55.300 -0.140 0.000 1.083 420 M CB -1.515 30.689 32.600 -0.660 0.000 1.399 420 M HN 0.130 nan 8.290 nan 0.000 0.435 421 S N -0.104 115.607 115.700 0.018 0.000 2.515 421 S HA 0.110 4.580 4.470 -0.000 0.000 0.231 421 S C 1.167 175.819 174.600 0.086 0.000 0.987 421 S CA 0.366 58.562 58.200 -0.006 0.000 0.936 421 S CB -0.259 62.862 63.200 -0.131 0.000 0.766 421 S HN 0.589 nan 8.310 nan 0.000 0.528 422 G N -0.758 108.087 108.800 0.075 0.000 2.372 422 G HA2 0.549 4.509 3.960 -0.000 0.000 0.323 422 G HA3 0.549 4.509 3.960 -0.000 0.000 0.323 422 G C 0.429 175.386 174.900 0.095 0.000 1.152 422 G CA -0.094 45.054 45.100 0.081 0.000 0.906 422 G HN 0.302 nan 8.290 nan 0.000 0.460 423 G N 0.889 109.742 108.800 0.088 0.000 3.758 423 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.206 423 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.206 423 G C 0.031 174.907 174.900 -0.040 0.000 0.946 423 G CA -0.100 45.021 45.100 0.036 0.000 0.885 423 G HN 0.932 nan 8.290 nan 0.000 0.392 424 L N 2.645 123.817 121.223 -0.084 0.000 2.455 424 L HA 0.678 5.018 4.340 -0.000 0.000 0.272 424 L C -0.588 176.173 176.870 -0.181 0.000 1.174 424 L CA -0.104 54.568 54.840 -0.280 0.000 0.869 424 L CB 1.041 42.810 42.059 -0.483 0.000 1.130 424 L HN 0.303 nan 8.230 nan 0.000 0.474 425 D N 2.763 123.037 120.400 -0.210 0.000 2.756 425 D HA 0.408 5.048 4.640 -0.000 0.000 0.226 425 D C -1.610 174.646 176.300 -0.073 0.000 1.186 425 D CA -0.671 53.316 54.000 -0.022 0.000 0.845 425 D CB 1.521 42.331 40.800 0.016 0.000 1.610 425 D HN 0.367 nan 8.370 nan 0.000 0.465 426 K N 1.743 122.177 120.400 0.056 0.000 2.425 426 K HA 0.522 4.842 4.320 -0.000 0.000 0.259 426 K C -0.016 176.583 176.600 -0.002 0.000 0.978 426 K CA -0.286 56.005 56.287 0.007 0.000 0.883 426 K CB 0.875 33.417 32.500 0.070 0.000 1.110 426 K HN 0.519 nan 8.250 nan 0.000 0.436 427 T N -0.459 114.081 114.554 -0.024 0.000 2.589 427 T HA 0.064 4.414 4.350 -0.000 0.000 0.178 427 T C 1.379 176.064 174.700 -0.025 0.000 0.708 427 T CA 0.677 62.767 62.100 -0.017 0.000 1.734 427 T CB -0.577 68.281 68.868 -0.016 0.000 2.792 427 T HN 0.330 nan 8.240 nan 0.000 0.406 428 T N 0.304 114.842 114.554 -0.027 0.000 2.985 428 T HA 0.369 4.719 4.350 -0.000 0.000 0.266 428 T C 0.348 175.026 174.700 -0.037 0.000 1.076 428 T CA 0.436 62.519 62.100 -0.028 0.000 1.135 428 T CB -0.707 68.146 68.868 -0.025 0.000 0.890 428 T HN 0.344 nan 8.240 nan 0.000 0.480 429 L N -0.180 121.014 121.223 -0.048 0.000 2.720 429 L HA 0.487 4.827 4.340 -0.000 0.000 0.261 429 L C -1.064 175.741 176.870 -0.109 0.000 1.046 429 L CA -1.265 53.534 54.840 -0.069 0.000 0.886 429 L CB 1.899 43.918 42.059 -0.067 0.000 1.493 429 L HN -0.114 nan 8.230 nan 0.000 0.407 430 L N 1.640 122.753 121.223 -0.182 0.000 2.416 430 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 430 L C -0.249 176.467 176.870 -0.258 0.000 1.161 430 L CA 0.223 54.887 54.840 -0.294 0.000 0.845 430 L CB 0.401 42.160 42.059 -0.500 0.000 1.119 430 L HN 0.632 nan 8.230 nan 0.000 0.464 431 E N 4.097 124.157 120.200 -0.233 0.000 2.372 431 E HA 0.714 5.064 4.350 -0.000 0.000 0.279 431 E C -1.107 175.402 176.600 -0.151 0.000 0.946 431 E CA -0.874 55.438 56.400 -0.148 0.000 0.769 431 E CB 2.990 32.640 29.700 -0.083 0.000 1.230 431 E HN 0.497 nan 8.360 nan 0.000 0.442 432 I N 0.897 121.415 120.570 -0.086 0.000 2.775 432 I HA 0.399 4.569 4.170 -0.000 0.000 0.295 432 I C -3.000 173.129 176.117 0.019 0.000 1.287 432 I CA -2.419 58.815 61.300 -0.110 0.000 1.029 432 I CB 2.963 40.785 38.000 -0.297 0.000 1.282 432 I HN 0.384 nan 8.210 nan 0.000 0.426 433 P HA 0.275 nan 4.420 nan 0.000 0.274 433 P C -0.057 177.248 177.300 0.008 0.000 1.231 433 P CA -0.327 62.811 63.100 0.063 0.000 0.790 433 P CB 0.776 32.480 31.700 0.007 0.000 0.951 434 R N 2.960 123.537 120.500 0.127 0.000 2.096 434 R HA -0.237 4.103 4.340 -0.000 0.000 0.240 434 R C 2.120 178.305 176.300 -0.191 0.000 1.139 434 R CA 1.710 57.830 56.100 0.034 0.000 0.952 434 R CB -0.315 30.086 30.300 0.167 0.000 0.854 434 R HN 0.371 nan 8.270 nan 0.000 0.436 435 R N 0.412 120.763 120.500 -0.249 0.000 2.115 435 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 435 R C 2.180 178.296 176.300 -0.306 0.000 1.133 435 R CA 2.534 58.428 56.100 -0.343 0.000 0.935 435 R CB -0.270 29.704 30.300 -0.544 0.000 0.853 435 R HN 0.360 nan 8.270 nan 0.000 0.433 436 Q N 0.248 119.893 119.800 -0.259 0.000 2.079 436 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 436 Q C 1.991 177.842 176.000 -0.249 0.000 0.974 436 Q CA 1.279 56.972 55.803 -0.183 0.000 0.840 436 Q CB -0.257 28.413 28.738 -0.114 0.000 0.898 436 Q HN 0.263 nan 8.270 nan 0.000 0.430 437 L N 1.152 122.129 121.223 -0.411 0.000 1.989 437 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 437 L C 1.699 178.428 176.870 -0.235 0.000 1.071 437 L CA 1.960 56.503 54.840 -0.494 0.000 0.749 437 L CB -0.349 41.351 42.059 -0.598 0.000 0.890 437 L HN 0.228 nan 8.230 nan 0.000 0.431 438 E N -0.137 119.920 120.200 -0.238 0.000 2.152 438 E HA 0.031 4.381 4.350 -0.000 0.000 0.192 438 E C 1.166 177.744 176.600 -0.037 0.000 0.983 438 E CA 0.657 56.973 56.400 -0.140 0.000 0.818 438 E CB -0.234 29.368 29.700 -0.162 0.000 0.758 438 E HN 0.533 nan 8.360 nan 0.000 0.467 439 A N 1.454 124.227 122.820 -0.079 0.000 2.640 439 A HA -0.204 4.116 4.320 -0.000 0.000 0.300 439 A C 1.073 178.698 177.584 0.067 0.000 1.499 439 A CA 1.188 53.180 52.037 -0.074 0.000 0.759 439 A CB -2.453 16.600 19.000 0.088 0.000 1.048 439 A HN 0.590 nan 8.150 nan 0.000 0.450 440 I N -4.507 116.069 120.570 0.010 0.000 4.592 440 I HA 0.390 4.560 4.170 -0.000 0.000 0.329 440 I C 0.297 176.465 176.117 0.085 0.000 1.309 440 I CA 0.396 61.763 61.300 0.112 0.000 1.243 440 I CB 0.462 38.498 38.000 0.060 0.000 1.241 440 I HN 0.316 nan 8.210 nan 0.000 0.434 441 N N 2.866 121.540 118.700 -0.044 0.000 2.549 441 N HA 0.379 5.119 4.740 -0.000 0.000 0.281 441 N C -2.029 173.365 175.510 -0.194 0.000 1.084 441 N CA -2.103 50.909 53.050 -0.064 0.000 0.862 441 N CB 2.068 40.506 38.487 -0.082 0.000 1.333 441 N HN -0.140 nan 8.380 nan 0.000 0.523 442 P HA -0.135 nan 4.420 nan 0.000 0.222 442 P C -0.343 176.765 177.300 -0.320 0.000 1.147 442 P CA 1.021 63.991 63.100 -0.218 0.000 0.790 442 P CB 0.568 32.316 31.700 0.079 0.000 0.780 443 Q N 0.348 120.020 119.800 -0.214 0.000 2.306 443 Q HA 0.165 4.505 4.340 -0.000 0.000 0.241 443 Q C 0.274 176.116 176.000 -0.263 0.000 0.948 443 Q CA -0.574 55.108 55.803 -0.202 0.000 0.886 443 Q CB 0.554 29.221 28.738 -0.118 0.000 1.227 443 Q HN 0.055 nan 8.270 nan 0.000 0.457 444 D N -0.341 119.931 120.400 -0.213 0.000 2.344 444 D HA 0.493 5.133 4.640 -0.000 0.000 0.244 444 D C -0.290 175.943 176.300 -0.111 0.000 1.134 444 D CA 0.439 54.327 54.000 -0.187 0.000 0.930 444 D CB 1.083 41.848 40.800 -0.058 0.000 1.175 444 D HN 0.649 nan 8.370 nan 0.000 0.437 445 G N 0.977 109.729 108.800 -0.080 0.000 2.322 445 G HA2 0.305 4.265 3.960 -0.000 0.000 0.295 445 G HA3 0.305 4.265 3.960 -0.000 0.000 0.295 445 G C -2.996 171.894 174.900 -0.017 0.000 1.369 445 G CA -0.945 44.129 45.100 -0.043 0.000 0.821 445 G HN 0.350 nan 8.290 nan 0.000 0.536 446 P HA 0.317 nan 4.420 nan 0.000 0.262 446 P C 1.114 178.422 177.300 0.014 0.000 1.182 446 P CA 2.056 65.165 63.100 0.015 0.000 0.761 446 P CB 0.885 32.592 31.700 0.012 0.000 0.795 447 G N 2.919 111.745 108.800 0.044 0.000 2.220 447 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.269 447 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.269 447 G C 1.204 176.123 174.900 0.031 0.000 0.977 447 G CA 0.623 45.758 45.100 0.058 0.000 0.634 447 G HN 0.514 nan 8.290 nan 0.000 0.539 448 Q N -0.717 119.065 119.800 -0.030 0.000 2.364 448 Q HA 0.138 4.478 4.340 -0.000 0.000 0.207 448 Q C 1.555 177.417 176.000 -0.230 0.000 0.970 448 Q CA 1.422 57.130 55.803 -0.158 0.000 0.888 448 Q CB -0.265 28.330 28.738 -0.237 0.000 0.951 448 Q HN 0.768 nan 8.270 nan 0.000 0.469 449 Y N -0.053 120.239 120.300 -0.012 0.000 2.636 449 Y HA 0.183 4.733 4.550 -0.000 0.000 0.260 449 Y C -0.327 175.590 175.900 0.028 0.000 1.177 449 Y CA -0.964 57.135 58.100 -0.002 0.000 1.209 449 Y CB 0.751 39.203 38.460 -0.013 0.000 1.166 449 Y HN -0.037 nan 8.280 nan 0.000 0.531 450 D N 1.362 121.868 120.400 0.177 0.000 2.443 450 D HA 0.033 4.673 4.640 -0.000 0.000 0.239 450 D C -0.558 175.819 176.300 0.128 0.000 1.136 450 D CA 0.331 54.426 54.000 0.158 0.000 0.879 450 D CB 1.461 42.390 40.800 0.216 0.000 1.195 450 D HN 0.044 nan 8.370 nan 0.000 0.443 451 L N 3.400 124.643 121.223 0.034 0.000 2.264 451 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 451 L C -1.074 175.731 176.870 -0.108 0.000 1.044 451 L CA -0.364 54.490 54.840 0.023 0.000 0.807 451 L CB 0.403 42.464 42.059 0.003 0.000 1.192 451 L HN 0.142 nan 8.230 nan 0.000 0.425 452 F N 6.199 126.166 119.950 0.028 0.000 2.371 452 F HA 0.453 4.980 4.527 -0.000 0.000 0.363 452 F C 0.207 175.972 175.800 -0.059 0.000 1.122 452 F CA -0.261 57.748 58.000 0.015 0.000 1.129 452 F CB 0.637 39.609 39.000 -0.048 0.000 1.173 452 F HN 0.254 nan 8.300 nan 0.000 0.489 453 I N 5.196 125.791 120.570 0.041 0.000 2.339 453 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 453 I C -0.527 175.570 176.117 -0.032 0.000 0.994 453 I CA -0.591 60.691 61.300 -0.030 0.000 1.191 453 I CB 1.060 39.033 38.000 -0.045 0.000 1.343 453 I HN 0.305 nan 8.210 nan 0.000 0.458 454 L N 5.097 126.224 121.223 -0.161 0.000 2.313 454 L HA 0.287 4.627 4.340 -0.000 0.000 0.282 454 L C 0.138 176.988 176.870 -0.032 0.000 1.092 454 L CA -0.284 54.407 54.840 -0.249 0.000 0.831 454 L CB 0.387 41.852 42.059 -0.989 0.000 1.159 454 L HN 0.561 nan 8.230 nan 0.000 0.442 455 D N 2.910 123.436 120.400 0.210 0.000 2.344 455 D HA 0.000 4.640 4.640 -0.000 0.000 0.244 455 D C 0.385 176.881 176.300 0.328 0.000 1.134 455 D CA 0.198 54.317 54.000 0.199 0.000 0.930 455 D CB 0.813 41.706 40.800 0.155 0.000 1.175 455 D HN 0.550 nan 8.370 nan 0.000 0.437 456 D N 0.821 121.329 120.400 0.181 0.000 2.772 456 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 456 D C -0.024 176.422 176.300 0.243 0.000 1.143 456 D CA 1.097 55.196 54.000 0.165 0.000 0.700 456 D CB -1.460 39.413 40.800 0.123 0.000 1.076 456 D HN 0.341 nan 8.370 nan 0.000 0.430 457 S N -2.396 113.391 115.700 0.144 0.000 2.749 457 S HA 0.392 4.862 4.470 -0.000 0.000 0.246 457 S C 1.701 176.238 174.600 -0.106 0.000 1.023 457 S CA 0.203 58.416 58.200 0.021 0.000 1.012 457 S CB 1.076 64.203 63.200 -0.122 0.000 0.942 457 S HN 0.258 nan 8.310 nan 0.000 0.531 458 G N 1.422 110.172 108.800 -0.083 0.000 2.534 458 G HA2 0.187 4.147 3.960 -0.000 0.000 0.217 458 G HA3 0.187 4.147 3.960 -0.000 0.000 0.217 458 G C 1.376 176.214 174.900 -0.104 0.000 1.128 458 G CA 0.497 45.552 45.100 -0.075 0.000 0.784 458 G HN 0.712 nan 8.290 nan 0.000 0.542 459 A N -0.064 122.647 122.820 -0.182 0.000 2.014 459 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 459 A C 0.917 178.408 177.584 -0.153 0.000 1.163 459 A CA -0.085 51.892 52.037 -0.101 0.000 0.652 459 A CB -0.403 18.605 19.000 0.012 0.000 0.808 459 A HN 0.404 nan 8.150 nan 0.000 0.449 460 Y N -0.269 119.870 120.300 -0.268 0.000 2.652 460 Y HA 0.263 4.813 4.550 -0.000 0.000 0.344 460 Y C 1.142 176.810 175.900 -0.387 0.000 1.254 460 Y CA -0.319 57.450 58.100 -0.552 0.000 1.480 460 Y CB 0.448 38.654 38.460 -0.423 0.000 1.345 460 Y HN 0.294 nan 8.280 nan 0.000 0.617 461 A N 1.288 123.907 122.820 -0.334 0.000 2.322 461 A HA 0.211 4.531 4.320 -0.000 0.000 0.269 461 A C 1.073 178.363 177.584 -0.490 0.000 1.094 461 A CA -0.304 51.415 52.037 -0.529 0.000 0.807 461 A CB 0.339 18.694 19.000 -1.076 0.000 1.047 461 A HN 0.867 nan 8.150 nan 0.000 0.487 462 S N 0.140 115.596 115.700 -0.405 0.000 2.399 462 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 462 S C 1.092 175.621 174.600 -0.119 0.000 1.022 462 S CA 1.951 60.047 58.200 -0.173 0.000 0.983 462 S CB -0.499 62.679 63.200 -0.036 0.000 0.803 462 S HN 0.850 nan 8.310 nan 0.000 0.480 463 F N 2.635 122.581 119.950 -0.007 0.000 2.769 463 F HA 0.383 4.910 4.527 -0.000 0.000 0.304 463 F C 0.739 176.492 175.800 -0.079 0.000 1.158 463 F CA -1.033 56.958 58.000 -0.014 0.000 1.398 463 F CB -1.289 37.713 39.000 0.004 0.000 1.094 463 F HN -0.046 nan 8.300 nan 0.000 0.553 464 S N -0.011 115.563 115.700 -0.209 0.000 2.580 464 S HA 0.525 4.995 4.470 -0.000 0.000 0.274 464 S C 0.077 174.373 174.600 -0.507 0.000 1.329 464 S CA -0.630 57.338 58.200 -0.387 0.000 1.036 464 S CB 1.244 64.075 63.200 -0.615 0.000 0.919 464 S HN 0.221 nan 8.310 nan 0.000 0.515 465 S N 1.353 116.636 115.700 -0.696 0.000 2.578 465 S HA 0.773 5.243 4.470 -0.000 0.000 0.301 465 S C -1.140 172.947 174.600 -0.855 0.000 1.091 465 S CA -0.577 57.260 58.200 -0.606 0.000 1.032 465 S CB 0.412 63.195 63.200 -0.696 0.000 1.064 465 S HN 0.638 nan 8.310 nan 0.000 0.508 466 F N 1.340 121.178 119.950 -0.185 0.000 2.565 466 F HA 0.615 5.142 4.527 -0.000 0.000 0.313 466 F C -0.295 175.461 175.800 -0.073 0.000 1.091 466 F CA -0.784 57.123 58.000 -0.154 0.000 0.915 466 F CB 1.362 40.288 39.000 -0.124 0.000 1.208 466 F HN 0.377 nan 8.300 nan 0.000 0.453 467 I N 2.156 122.813 120.570 0.146 0.000 2.468 467 I HA 0.740 4.910 4.170 -0.000 0.000 0.285 467 I C -0.483 175.702 176.117 0.114 0.000 1.039 467 I CA -0.084 61.281 61.300 0.107 0.000 1.074 467 I CB 1.005 39.074 38.000 0.116 0.000 1.228 467 I HN 0.674 nan 8.210 nan 0.000 0.436 468 G N 5.575 114.329 108.800 -0.076 0.000 2.441 468 G HA2 0.542 4.502 3.960 -0.000 0.000 0.334 468 G HA3 0.542 4.502 3.960 -0.000 0.000 0.334 468 G C -1.918 172.569 174.900 -0.689 0.000 1.161 468 G CA -0.319 44.544 45.100 -0.395 0.000 0.935 468 G HN 0.518 nan 8.290 nan 0.000 0.488 469 Y N 1.216 121.239 120.300 -0.461 0.000 2.363 469 Y HA 0.349 4.899 4.550 0.000 0.000 0.325 469 Y C -2.030 173.766 175.900 -0.174 0.000 0.984 469 Y CA -2.538 55.463 58.100 -0.165 0.000 1.248 469 Y CB 2.628 41.135 38.460 0.078 0.000 1.116 469 Y HN 0.311 nan 8.280 nan 0.000 0.470 470 P HA 0.162 nan 4.420 nan 0.000 0.279 470 P C -0.873 176.590 177.300 0.270 0.000 1.318 470 P CA -0.011 63.195 63.100 0.176 0.000 0.819 470 P CB 0.830 32.691 31.700 0.268 0.000 0.927 471 E N 2.565 122.947 120.200 0.303 0.000 2.263 471 E HA 0.503 4.853 4.350 -0.000 0.000 0.268 471 E C 0.163 176.948 176.600 0.309 0.000 0.884 471 E CA -0.779 55.813 56.400 0.321 0.000 0.766 471 E CB 2.011 31.953 29.700 0.404 0.000 1.196 471 E HN 0.456 nan 8.360 nan 0.000 0.416 472 A N 2.561 125.513 122.820 0.220 0.000 5.295 472 A HA -0.360 3.960 4.320 -0.000 0.000 0.313 472 A C 1.475 179.121 177.584 0.103 0.000 1.912 472 A CA 1.533 53.668 52.037 0.164 0.000 0.714 472 A CB -1.746 17.376 19.000 0.205 0.000 1.319 472 A HN 0.960 nan 8.150 nan 0.000 0.375 473 A N -2.346 120.480 122.820 0.010 0.000 2.178 473 A HA 0.503 4.823 4.320 -0.000 0.000 0.211 473 A C 0.727 178.147 177.584 -0.272 0.000 1.157 473 A CA 1.333 53.247 52.037 -0.204 0.000 0.780 473 A CB -0.163 18.591 19.000 -0.411 0.000 0.828 473 A HN 0.915 nan 8.150 nan 0.000 0.476 474 Y N -2.800 117.649 120.300 0.247 0.000 2.567 474 Y HA 0.513 5.063 4.550 0.000 0.000 0.333 474 Y C -0.484 175.544 175.900 0.214 0.000 1.106 474 Y CA -1.115 57.143 58.100 0.264 0.000 1.157 474 Y CB 1.028 39.696 38.460 0.346 0.000 1.277 474 Y HN 0.137 nan 8.280 nan 0.000 0.490 475 Y N 1.520 121.967 120.300 0.246 0.000 2.575 475 Y HA 0.573 5.123 4.550 -0.000 0.000 0.326 475 Y C -1.318 174.576 175.900 -0.011 0.000 0.979 475 Y CA -1.003 57.159 58.100 0.103 0.000 1.286 475 Y CB 0.555 39.030 38.460 0.026 0.000 1.093 475 Y HN 0.361 nan 8.280 nan 0.000 0.501 476 V N 6.175 125.924 119.914 -0.274 0.000 2.353 476 V HA 0.610 4.730 4.120 -0.000 0.000 0.264 476 V C 0.218 176.173 176.094 -0.232 0.000 1.049 476 V CA -0.351 61.607 62.300 -0.570 0.000 0.896 476 V CB 0.320 31.399 31.823 -1.240 0.000 1.025 476 V HN 0.856 nan 8.190 nan 0.000 0.475 477 A N 4.152 126.850 122.820 -0.203 0.000 2.304 477 A HA 0.827 5.147 4.320 -0.000 0.000 0.323 477 A C 0.436 177.788 177.584 -0.386 0.000 1.195 477 A CA -0.187 51.797 52.037 -0.088 0.000 0.826 477 A CB 1.159 20.220 19.000 0.100 0.000 1.184 477 A HN 0.915 nan 8.150 nan 0.000 0.496 478 G N 0.360 108.739 108.800 -0.703 0.000 2.356 478 G HA2 0.678 4.638 3.960 -0.000 0.000 0.322 478 G HA3 0.678 4.638 3.960 -0.000 0.000 0.322 478 G C 0.290 174.873 174.900 -0.527 0.000 1.125 478 G CA 0.131 44.469 45.100 -1.269 0.000 0.885 478 G HN 2.353 nan 8.290 nan 0.000 0.467 479 A N 0.256 122.776 122.820 -0.500 0.000 4.798 479 A HA 0.377 4.697 4.320 -0.000 0.000 0.167 479 A C 0.334 177.422 177.584 -0.827 0.000 1.130 479 A CA 0.081 51.768 52.037 -0.583 0.000 0.944 479 A CB -1.356 17.252 19.000 -0.654 0.000 0.813 479 A HN 2.460 nan 8.150 nan 0.000 0.483 480 A N 0.841 123.357 122.820 -0.508 0.000 2.279 480 A HA 0.752 5.072 4.320 -0.000 0.000 0.306 480 A C 0.388 177.649 177.584 -0.539 0.000 1.300 480 A CA 0.678 52.342 52.037 -0.623 0.000 0.925 480 A CB 0.321 18.763 19.000 -0.930 0.000 1.152 480 A HN 1.463 nan 8.150 nan 0.000 0.544 481 T N 1.576 115.836 114.554 -0.491 0.000 2.948 481 T HA 0.741 5.091 4.350 -0.000 0.000 0.285 481 T C -0.815 173.678 174.700 -0.344 0.000 1.019 481 T CA -0.253 61.684 62.100 -0.273 0.000 1.013 481 T CB 0.289 69.075 68.868 -0.136 0.000 1.117 481 T HN 0.333 nan 8.240 nan 0.000 0.533 482 F N 1.752 121.701 119.950 -0.001 0.000 2.556 482 F HA 0.459 4.986 4.527 0.000 0.000 0.327 482 F C 1.103 176.940 175.800 0.061 0.000 1.059 482 F CA -1.027 56.982 58.000 0.014 0.000 0.953 482 F CB 1.652 40.672 39.000 0.033 0.000 1.227 482 F HN 0.517 nan 8.300 nan 0.000 0.478 483 M N 0.604 120.366 119.600 0.270 0.000 2.394 483 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 483 M C -0.068 176.381 176.300 0.250 0.000 1.073 483 M CA 1.350 56.835 55.300 0.307 0.000 1.111 483 M CB -0.249 32.485 32.600 0.223 0.000 1.401 483 M HN 0.374 nan 8.290 nan 0.000 0.448 484 D N 0.101 120.631 120.400 0.216 0.000 2.280 484 D HA 0.321 4.961 4.640 -0.000 0.000 0.236 484 D C 1.300 177.667 176.300 0.111 0.000 1.082 484 D CA 0.304 54.380 54.000 0.125 0.000 0.834 484 D CB 1.386 42.217 40.800 0.052 0.000 1.100 484 D HN 0.120 nan 8.370 nan 0.000 0.486 485 V N 3.895 123.877 119.914 0.113 0.000 2.453 485 V HA -0.294 3.826 4.120 -0.000 0.000 0.252 485 V C 2.082 178.249 176.094 0.120 0.000 1.068 485 V CA 3.051 65.428 62.300 0.129 0.000 1.070 485 V CB -1.349 30.553 31.823 0.132 0.000 0.664 485 V HN 0.711 nan 8.190 nan 0.000 0.461 486 E N 0.766 121.013 120.200 0.077 0.000 2.209 486 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 486 E C 1.222 177.739 176.600 -0.138 0.000 0.993 486 E CA 1.099 57.541 56.400 0.071 0.000 0.819 486 E CB -0.694 29.023 29.700 0.027 0.000 0.745 486 E HN 0.843 nan 8.360 nan 0.000 0.477 487 N N 1.382 119.918 118.700 -0.274 0.000 2.439 487 N HA 0.224 4.964 4.740 -0.000 0.000 0.249 487 N C -2.655 172.638 175.510 -0.361 0.000 1.003 487 N CA -1.446 51.283 53.050 -0.535 0.000 0.942 487 N CB 1.773 39.536 38.487 -1.206 0.000 1.115 487 N HN 0.277 nan 8.380 nan 0.000 0.505 488 P HA 0.130 nan 4.420 nan 0.000 0.274 488 P C -0.474 176.837 177.300 0.017 0.000 1.231 488 P CA -0.316 62.531 63.100 -0.421 0.000 0.790 488 P CB 1.042 32.276 31.700 -0.777 0.000 0.951 489 D N 1.159 121.587 120.400 0.046 0.000 2.419 489 D HA 0.082 4.722 4.640 -0.000 0.000 0.236 489 D C 0.307 176.646 176.300 0.066 0.000 1.165 489 D CA 0.800 54.833 54.000 0.054 0.000 0.882 489 D CB 0.387 41.174 40.800 -0.021 0.000 1.201 489 D HN 0.355 nan 8.370 nan 0.000 0.443 490 E N 0.323 120.532 120.200 0.014 0.000 2.288 490 E HA 0.399 4.749 4.350 -0.000 0.000 0.268 490 E C -0.496 176.081 176.600 -0.039 0.000 0.885 490 E CA -0.846 55.589 56.400 0.059 0.000 0.767 490 E CB 1.965 31.783 29.700 0.197 0.000 1.220 490 E HN 0.200 nan 8.360 nan 0.000 0.427 491 I N 2.779 123.378 120.570 0.048 0.000 2.385 491 I HA 0.284 4.454 4.170 -0.000 0.000 0.294 491 I C -0.108 176.082 176.117 0.122 0.000 0.988 491 I CA -0.670 60.614 61.300 -0.027 0.000 1.265 491 I CB 0.742 38.790 38.000 0.079 0.000 1.388 491 I HN 0.428 nan 8.210 nan 0.000 0.480 492 I N 6.086 126.649 120.570 -0.012 0.000 2.336 492 I HA 0.313 4.482 4.170 -0.000 0.000 0.292 492 I C -0.566 175.600 176.117 0.081 0.000 0.991 492 I CA -0.487 60.891 61.300 0.130 0.000 1.227 492 I CB 0.791 38.764 38.000 -0.045 0.000 1.366 492 I HN 0.224 nan 8.210 nan 0.000 0.466 493 F N 6.624 126.676 119.950 0.170 0.000 2.375 493 F HA 0.523 5.050 4.527 -0.000 0.000 0.361 493 F C 0.337 176.382 175.800 0.409 0.000 1.117 493 F CA -0.529 57.582 58.000 0.185 0.000 1.037 493 F CB 1.144 40.124 39.000 -0.033 0.000 1.192 493 F HN 0.187 nan 8.300 nan 0.000 0.452 494 I N 4.532 125.418 120.570 0.528 0.000 2.404 494 I HA 0.318 4.488 4.170 -0.000 0.000 0.293 494 I C -0.471 175.906 176.117 0.434 0.000 0.992 494 I CA -0.839 60.726 61.300 0.443 0.000 1.149 494 I CB 1.696 39.801 38.000 0.175 0.000 1.315 494 I HN 0.334 nan 8.210 nan 0.000 0.446 495 L N 6.463 127.908 121.223 0.370 0.000 2.477 495 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 495 L C 1.625 178.516 176.870 0.035 0.000 1.157 495 L CA -0.134 54.813 54.840 0.179 0.000 0.889 495 L CB 0.219 42.376 42.059 0.163 0.000 1.158 495 L HN 0.628 nan 8.230 nan 0.000 0.473 496 R N 2.117 122.615 120.500 -0.004 0.000 2.249 496 R HA -0.151 4.189 4.340 -0.000 0.000 0.230 496 R C 1.096 177.292 176.300 -0.173 0.000 1.121 496 R CA 1.278 57.329 56.100 -0.082 0.000 0.997 496 R CB -0.265 30.024 30.300 -0.018 0.000 0.867 496 R HN 0.758 nan 8.270 nan 0.000 0.465 497 N N -0.627 118.004 118.700 -0.114 0.000 2.336 497 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 497 N C 1.069 176.517 175.510 -0.105 0.000 1.113 497 N CA 0.763 53.748 53.050 -0.108 0.000 0.858 497 N CB 0.405 38.868 38.487 -0.040 0.000 0.970 497 N HN 0.185 nan 8.380 nan 0.000 0.471 498 G N -0.542 108.174 108.800 -0.140 0.000 2.189 498 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.267 498 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.267 498 G C 1.141 176.124 174.900 0.138 0.000 0.975 498 G CA 0.632 45.728 45.100 -0.007 0.000 0.644 498 G HN 0.773 nan 8.290 nan 0.000 0.537 499 A N -0.570 122.304 122.820 0.090 0.000 2.024 499 A HA 0.488 4.808 4.320 -0.000 0.000 0.220 499 A C 1.871 179.518 177.584 0.104 0.000 1.164 499 A CA 2.347 54.443 52.037 0.099 0.000 0.643 499 A CB -0.121 18.926 19.000 0.078 0.000 0.806 499 A HN 2.457 nan 8.150 nan 0.000 0.451 500 G N -3.289 105.589 108.800 0.132 0.000 2.316 500 G HA2 0.425 4.385 3.960 -0.000 0.000 0.296 500 G HA3 0.425 4.385 3.960 -0.000 0.000 0.296 500 G C -1.084 173.930 174.900 0.188 0.000 1.399 500 G CA -0.265 44.894 45.100 0.099 0.000 0.833 500 G HN 0.935 nan 8.290 nan 0.000 0.565 501 W N -0.470 120.736 121.300 -0.156 0.000 3.031 501 W HA 0.843 5.503 4.660 0.000 0.000 0.337 501 W C -2.264 174.069 176.519 -0.310 0.000 1.187 501 W CA -1.752 55.556 57.345 -0.061 0.000 1.166 501 W CB 0.873 30.341 29.460 0.015 0.000 1.437 501 W HN 0.553 nan 8.180 nan 0.000 0.551 502 Y N 0.697 120.961 120.300 -0.060 0.000 2.605 502 Y HA 0.733 5.283 4.550 -0.000 0.000 0.343 502 Y C 0.152 175.961 175.900 -0.151 0.000 1.036 502 Y CA -1.299 56.478 58.100 -0.539 0.000 1.065 502 Y CB 1.816 39.531 38.460 -1.241 0.000 1.288 502 Y HN 0.660 nan 8.280 nan 0.000 0.481 503 A N 0.165 122.942 122.820 -0.072 0.000 2.384 503 A HA 0.730 5.050 4.320 -0.000 0.000 0.312 503 A C -1.467 176.167 177.584 0.084 0.000 1.113 503 A CA -0.697 51.459 52.037 0.198 0.000 0.779 503 A CB 1.286 20.466 19.000 0.300 0.000 1.307 503 A HN 0.888 nan 8.150 nan 0.000 0.436 504 C N 1.463 120.884 119.300 0.202 0.000 2.407 504 C HA 0.560 5.020 4.460 -0.000 0.000 0.328 504 C C -0.348 174.746 174.990 0.173 0.000 1.137 504 C CA -0.453 58.669 59.018 0.173 0.000 1.390 504 C CB -0.807 27.084 27.740 0.252 0.000 1.989 504 C HN 0.879 nan 8.230 nan 0.000 0.432 505 E N 4.625 124.907 120.200 0.136 0.000 2.217 505 E HA 0.232 4.582 4.350 -0.000 0.000 0.279 505 E C 0.557 177.220 176.600 0.103 0.000 1.068 505 E CA 0.093 56.567 56.400 0.122 0.000 0.882 505 E CB 0.595 30.352 29.700 0.096 0.000 1.039 505 E HN 0.798 nan 8.360 nan 0.000 0.418 506 I N 0.463 121.096 120.570 0.104 0.000 3.517 506 I HA 0.366 4.536 4.170 -0.000 0.000 0.346 506 I C 1.138 177.318 176.117 0.106 0.000 1.510 506 I CA -0.534 60.830 61.300 0.106 0.000 1.090 506 I CB 0.417 38.493 38.000 0.126 0.000 1.506 506 I HN 0.514 nan 8.210 nan 0.000 0.477 507 G N 1.606 110.457 108.800 0.084 0.000 2.421 507 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 507 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 507 G C 1.007 176.085 174.900 0.297 0.000 1.171 507 G CA 1.154 46.328 45.100 0.124 0.000 0.775 507 G HN 0.412 nan 8.290 nan 0.000 0.543 508 D N 1.180 121.692 120.400 0.187 0.000 2.092 508 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 508 D C 2.831 179.204 176.300 0.122 0.000 0.994 508 D CA 1.520 55.605 54.000 0.142 0.000 0.828 508 D CB -0.736 40.110 40.800 0.076 0.000 0.963 508 D HN 0.293 nan 8.370 nan 0.000 0.450 509 A N 0.189 123.070 122.820 0.101 0.000 1.986 509 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 509 A C 2.218 179.872 177.584 0.116 0.000 1.171 509 A CA 1.093 53.179 52.037 0.083 0.000 0.640 509 A CB -0.616 18.428 19.000 0.073 0.000 0.811 509 A HN 0.275 nan 8.150 nan 0.000 0.451 510 L N -1.378 119.954 121.223 0.183 0.000 2.585 510 L HA 0.122 4.462 4.340 -0.000 0.000 0.226 510 L C 1.008 178.031 176.870 0.254 0.000 1.113 510 L CA -0.098 54.876 54.840 0.224 0.000 0.876 510 L CB -0.065 42.150 42.059 0.261 0.000 1.072 510 L HN 0.219 nan 8.230 nan 0.000 0.468 511 K N 1.884 122.405 120.400 0.201 0.000 2.416 511 K HA 0.107 4.427 4.320 -0.000 0.000 0.283 511 K C 0.672 177.202 176.600 -0.117 0.000 1.037 511 K CA -0.046 56.179 56.287 -0.104 0.000 0.995 511 K CB 0.713 33.113 32.500 -0.167 0.000 0.938 511 K HN 0.164 nan 8.250 nan 0.000 0.475 512 I N 1.339 121.800 120.570 -0.182 0.000 4.791 512 I HA 0.347 4.517 4.170 -0.000 0.000 0.235 512 I C 0.852 176.890 176.117 -0.133 0.000 1.007 512 I CA -0.640 60.598 61.300 -0.103 0.000 1.764 512 I CB -0.755 37.216 38.000 -0.049 0.000 1.526 512 I HN 0.487 nan 8.210 nan 0.000 0.462 513 A N 1.263 124.000 122.820 -0.139 0.000 2.261 513 A HA -0.010 4.310 4.320 -0.000 0.000 0.275 513 A C 1.296 178.774 177.584 -0.177 0.000 1.246 513 A CA 0.678 52.644 52.037 -0.120 0.000 0.810 513 A CB -0.266 18.683 19.000 -0.085 0.000 1.168 513 A HN 0.684 nan 8.150 nan 0.000 0.506 514 D N -1.623 118.700 120.400 -0.128 0.000 2.149 514 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 514 D C 1.249 177.451 176.300 -0.164 0.000 0.972 514 D CA 1.770 55.693 54.000 -0.128 0.000 0.835 514 D CB 0.051 40.809 40.800 -0.070 0.000 0.966 514 D HN 0.654 nan 8.370 nan 0.000 0.476 515 D N -0.977 119.342 120.400 -0.135 0.000 2.469 515 D HA 0.328 4.968 4.640 -0.000 0.000 0.213 515 D C 0.536 176.775 176.300 -0.102 0.000 1.135 515 D CA 0.516 54.462 54.000 -0.091 0.000 0.834 515 D CB -0.031 40.761 40.800 -0.014 0.000 1.009 515 D HN 0.428 nan 8.370 nan 0.000 0.507 516 E N -0.504 119.571 120.200 -0.208 0.000 2.202 516 E HA 0.759 5.109 4.350 -0.000 0.000 0.272 516 E C -1.150 175.257 176.600 -0.321 0.000 0.951 516 E CA -0.677 55.648 56.400 -0.124 0.000 0.813 516 E CB 1.752 31.423 29.700 -0.049 0.000 1.151 516 E HN 0.342 nan 8.360 nan 0.000 0.398 517 F N 0.593 120.566 119.950 0.038 0.000 2.588 517 F HA 0.425 4.952 4.527 0.000 0.000 0.314 517 F C 0.072 175.903 175.800 0.052 0.000 1.069 517 F CA -0.910 57.116 58.000 0.044 0.000 0.931 517 F CB 2.633 41.663 39.000 0.051 0.000 1.260 517 F HN 0.388 nan 8.300 nan 0.000 0.465 518 D N 0.834 121.392 120.400 0.262 0.000 2.255 518 D HA 0.322 4.962 4.640 -0.000 0.000 0.249 518 D C -0.423 175.981 176.300 0.173 0.000 1.078 518 D CA 0.168 54.271 54.000 0.172 0.000 0.896 518 D CB 1.573 42.450 40.800 0.127 0.000 1.194 518 D HN 0.504 nan 8.370 nan 0.000 0.429 519 S N -0.003 115.776 115.700 0.131 0.000 2.687 519 S HA 0.494 4.963 4.470 -0.000 0.000 0.283 519 S C -0.084 174.558 174.600 0.069 0.000 1.170 519 S CA -0.911 57.346 58.200 0.095 0.000 1.008 519 S CB 1.421 64.670 63.200 0.082 0.000 1.026 519 S HN 0.141 nan 8.310 nan 0.000 0.541 520 V N 2.488 122.417 119.914 0.025 0.000 2.353 520 V HA 0.236 4.356 4.120 -0.000 0.000 0.264 520 V C 0.019 176.078 176.094 -0.058 0.000 1.049 520 V CA -0.196 62.115 62.300 0.019 0.000 0.896 520 V CB 0.394 32.213 31.823 -0.007 0.000 1.025 520 V HN 0.954 nan 8.190 nan 0.000 0.475 521 D N 2.967 123.343 120.400 -0.041 0.000 2.423 521 D HA 0.111 4.751 4.640 -0.000 0.000 0.212 521 D C -0.360 175.594 176.300 -0.576 0.000 1.060 521 D CA 0.831 54.671 54.000 -0.266 0.000 0.872 521 D CB 0.866 41.552 40.800 -0.189 0.000 1.012 521 D HN 0.521 nan 8.370 nan 0.000 0.503 522 Y N -0.239 120.075 120.300 0.023 0.000 2.442 522 Y HA 0.457 5.007 4.550 -0.000 0.000 0.344 522 Y C -0.868 175.108 175.900 0.127 0.000 0.976 522 Y CA -1.199 56.919 58.100 0.030 0.000 1.040 522 Y CB 1.935 40.365 38.460 -0.050 0.000 1.228 522 Y HN -0.265 nan 8.280 nan 0.000 0.451 523 F N 1.698 121.697 119.950 0.081 0.000 2.619 523 F HA 0.899 5.426 4.527 -0.000 0.000 0.308 523 F C -1.439 174.382 175.800 0.035 0.000 1.097 523 F CA -0.692 57.347 58.000 0.065 0.000 0.953 523 F CB 1.522 40.553 39.000 0.051 0.000 1.287 523 F HN 0.631 nan 8.300 nan 0.000 0.446 524 A N 3.498 125.622 122.820 -1.160 0.000 2.610 524 A HA 0.714 5.034 4.320 -0.000 0.000 0.291 524 A C -2.643 174.075 177.584 -1.444 0.000 1.086 524 A CA -0.582 50.615 52.037 -1.399 0.000 0.677 524 A CB 1.354 19.936 19.000 -0.695 0.000 1.278 524 A HN 1.069 nan 8.150 nan 0.000 0.414 525 Y N 1.118 120.553 120.300 -1.440 0.000 2.433 525 Y HA 0.758 5.308 4.550 -0.000 0.000 0.337 525 Y C -0.581 175.152 175.900 -0.278 0.000 1.026 525 Y CA -0.503 57.230 58.100 -0.611 0.000 1.037 525 Y CB 1.391 39.610 38.460 -0.401 0.000 1.245 525 Y HN 0.906 nan 8.280 nan 0.000 0.443 526 R N 3.353 123.499 120.500 -0.589 0.000 2.594 526 R HA 0.449 4.788 4.340 -0.000 0.000 0.265 526 R C -0.027 176.074 176.300 -0.330 0.000 1.070 526 R CA -0.047 55.821 56.100 -0.387 0.000 0.909 526 R CB 1.581 31.732 30.300 -0.248 0.000 1.243 526 R HN 1.233 nan 8.270 nan 0.000 0.455 527 G N 1.552 110.235 108.800 -0.194 0.000 2.390 527 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.299 527 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.299 527 G C 0.852 175.679 174.900 -0.121 0.000 1.002 527 G CA 1.224 46.283 45.100 -0.068 0.000 0.979 527 G HN 1.596 nan 8.290 nan 0.000 0.513 528 G N -3.330 105.306 108.800 -0.273 0.000 2.153 528 G HA2 0.011 3.971 3.960 -0.000 0.000 0.252 528 G HA3 0.011 3.971 3.960 -0.000 0.000 0.252 528 G C 0.255 175.106 174.900 -0.081 0.000 0.994 528 G CA 0.619 45.683 45.100 -0.060 0.000 0.698 528 G HN 1.699 nan 8.290 nan 0.000 0.521 529 V N 0.891 120.609 119.914 -0.327 0.000 2.604 529 V HA 0.695 4.815 4.120 -0.000 0.000 0.305 529 V C 0.451 176.405 176.094 -0.233 0.000 1.043 529 V CA -0.715 61.452 62.300 -0.221 0.000 0.888 529 V CB 1.911 33.567 31.823 -0.277 0.000 0.995 529 V HN 0.318 nan 8.190 nan 0.000 0.429 530 M N 4.616 124.149 119.600 -0.112 0.000 2.238 530 M HA 0.570 5.050 4.480 -0.000 0.000 0.350 530 M C -1.428 174.647 176.300 -0.377 0.000 1.138 530 M CA -0.055 55.229 55.300 -0.027 0.000 1.040 530 M CB 1.273 34.048 32.600 0.292 0.000 1.639 530 M HN 0.454 nan 8.290 nan 0.000 0.451 531 F N 3.820 123.607 119.950 -0.273 0.000 2.426 531 F HA 0.546 5.073 4.527 0.000 0.000 0.348 531 F C -0.167 175.570 175.800 -0.104 0.000 1.124 531 F CA -0.764 57.134 58.000 -0.171 0.000 1.008 531 F CB 1.091 39.975 39.000 -0.194 0.000 1.139 531 F HN 0.310 nan 8.300 nan 0.000 0.452 532 I N 2.395 123.073 120.570 0.180 0.000 2.474 532 I HA 0.567 4.737 4.170 -0.000 0.000 0.294 532 I C 0.243 176.488 176.117 0.213 0.000 1.005 532 I CA -0.697 60.733 61.300 0.218 0.000 1.113 532 I CB 1.523 39.645 38.000 0.203 0.000 1.289 532 I HN 0.632 nan 8.210 nan 0.000 0.436 533 G N 3.293 112.207 108.800 0.190 0.000 2.530 533 G HA2 0.591 4.551 3.960 -0.000 0.000 0.316 533 G HA3 0.591 4.551 3.960 -0.000 0.000 0.316 533 G C -1.101 173.873 174.900 0.125 0.000 1.298 533 G CA -0.289 44.842 45.100 0.051 0.000 0.948 533 G HN 0.501 nan 8.290 nan 0.000 0.486 534 S N 0.147 115.834 115.700 -0.023 0.000 2.519 534 S HA 0.690 5.160 4.470 -0.000 0.000 0.309 534 S C 0.394 175.014 174.600 0.033 0.000 1.100 534 S CA -0.446 57.786 58.200 0.055 0.000 1.059 534 S CB 1.735 64.964 63.200 0.048 0.000 1.008 534 S HN 1.135 nan 8.310 nan 0.000 0.478 535 A N 3.962 126.862 122.820 0.133 0.000 2.477 535 A HA 0.617 4.937 4.320 -0.000 0.000 0.246 535 A C 0.191 177.829 177.584 0.090 0.000 1.078 535 A CA -0.143 51.970 52.037 0.126 0.000 0.770 535 A CB 0.245 19.421 19.000 0.294 0.000 1.011 535 A HN 0.661 nan 8.150 nan 0.000 0.494 536 R N 0.494 120.936 120.500 -0.096 0.000 2.750 536 R HA 0.666 5.006 4.340 -0.000 0.000 0.281 536 R C -1.741 174.382 176.300 -0.295 0.000 0.972 536 R CA -0.375 55.693 56.100 -0.054 0.000 0.912 536 R CB 1.574 31.829 30.300 -0.075 0.000 1.187 536 R HN 0.762 nan 8.270 nan 0.000 0.464 537 Y N -1.328 118.981 120.300 0.015 0.000 2.655 537 Y HA 0.303 4.853 4.550 -0.000 0.000 0.336 537 Y C 0.727 176.633 175.900 0.011 0.000 1.154 537 Y CA -0.719 57.389 58.100 0.013 0.000 1.055 537 Y CB 1.754 40.223 38.460 0.014 0.000 1.295 537 Y HN 0.651 nan 8.280 nan 0.000 0.465 538 T N -2.407 112.255 114.554 0.180 0.000 2.847 538 T HA 0.211 4.561 4.350 -0.000 0.000 0.279 538 T C 0.718 175.476 174.700 0.097 0.000 0.984 538 T CA -0.633 61.527 62.100 0.101 0.000 0.988 538 T CB 0.976 69.886 68.868 0.070 0.000 1.040 538 T HN 0.580 nan 8.240 nan 0.000 0.528 539 E N 0.770 121.005 120.200 0.060 0.000 2.265 539 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 539 E C 2.096 178.718 176.600 0.036 0.000 0.996 539 E CA 1.210 57.635 56.400 0.042 0.000 0.832 539 E CB -0.754 28.963 29.700 0.029 0.000 0.756 539 E HN 0.914 nan 8.360 nan 0.000 0.491 540 G N -0.280 108.546 108.800 0.044 0.000 2.603 540 G HA2 0.130 4.090 3.960 -0.000 0.000 0.214 540 G HA3 0.130 4.090 3.960 -0.000 0.000 0.214 540 G C 1.022 175.947 174.900 0.043 0.000 1.140 540 G CA 0.450 45.572 45.100 0.036 0.000 0.800 540 G HN 0.383 nan 8.290 nan 0.000 0.533 541 G N 0.089 108.936 108.800 0.079 0.000 2.151 541 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.156 541 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.156 541 G C -0.602 174.417 174.900 0.198 0.000 1.017 541 G CA -0.105 45.052 45.100 0.096 0.000 0.686 541 G HN 0.355 nan 8.290 nan 0.000 0.503 542 D N 1.612 122.129 120.400 0.195 0.000 2.193 542 D HA 0.417 5.057 4.640 -0.000 0.000 0.244 542 D C -2.093 174.285 176.300 0.131 0.000 1.064 542 D CA -1.122 52.968 54.000 0.152 0.000 0.845 542 D CB 2.189 43.033 40.800 0.073 0.000 1.148 542 D HN 0.171 nan 8.370 nan 0.000 0.464 543 P HA 0.088 nan 4.420 nan 0.000 0.266 543 P C -0.444 176.723 177.300 -0.222 0.000 1.195 543 P CA 0.055 62.994 63.100 -0.269 0.000 0.768 543 P CB 1.113 32.727 31.700 -0.142 0.000 0.838 544 L N 3.356 124.383 121.223 -0.327 0.000 2.257 544 L HA 0.554 4.894 4.340 -0.000 0.000 0.257 544 L C -2.423 174.343 176.870 -0.174 0.000 1.033 544 L CA -3.049 51.683 54.840 -0.181 0.000 0.835 544 L CB 1.911 43.886 42.059 -0.139 0.000 1.398 544 L HN 0.102 nan 8.230 nan 0.000 0.429 545 P HA 0.152 nan 4.420 nan 0.000 0.268 545 P C -0.629 176.587 177.300 -0.140 0.000 1.205 545 P CA 0.038 63.090 63.100 -0.081 0.000 0.771 545 P CB 0.396 32.085 31.700 -0.018 0.000 0.858 546 I N 2.393 122.837 120.570 -0.210 0.000 2.648 546 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 546 I C 1.093 176.910 176.117 -0.500 0.000 1.153 546 I CA -0.001 61.057 61.300 -0.403 0.000 1.426 546 I CB 0.293 37.900 38.000 -0.656 0.000 1.381 546 I HN 0.209 nan 8.210 nan 0.000 0.571 547 K N 7.024 127.205 120.400 -0.366 0.000 2.276 547 K HA 0.276 4.596 4.320 -0.000 0.000 0.285 547 K C -1.580 174.846 176.600 -0.290 0.000 1.062 547 K CA 0.060 56.221 56.287 -0.211 0.000 0.918 547 K CB 0.307 32.768 32.500 -0.066 0.000 1.055 547 K HN 0.277 nan 8.250 nan 0.000 0.477 548 Y N 3.204 123.566 120.300 0.104 0.000 2.377 548 Y HA 0.527 5.077 4.550 -0.000 0.000 0.339 548 Y C 0.422 176.398 175.900 0.127 0.000 1.011 548 Y CA -0.738 57.446 58.100 0.140 0.000 1.093 548 Y CB 1.922 40.550 38.460 0.280 0.000 1.201 548 Y HN 0.406 nan 8.280 nan 0.000 0.455 549 R N 1.272 121.934 120.500 0.270 0.000 2.808 549 R HA 0.875 5.215 4.340 -0.000 0.000 0.272 549 R C -1.526 174.822 176.300 0.080 0.000 0.995 549 R CA -1.285 54.914 56.100 0.165 0.000 0.917 549 R CB 2.165 32.541 30.300 0.126 0.000 1.217 549 R HN 0.707 nan 8.270 nan 0.000 0.471 550 A N 2.710 125.549 122.820 0.032 0.000 2.332 550 A HA 0.597 4.917 4.320 -0.000 0.000 0.300 550 A C -0.786 176.814 177.584 0.027 0.000 1.153 550 A CA -0.564 51.380 52.037 -0.155 0.000 0.764 550 A CB 0.527 19.372 19.000 -0.257 0.000 1.174 550 A HN 0.575 nan 8.150 nan 0.000 0.467 551 I N 3.340 123.886 120.570 -0.040 0.000 2.406 551 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 551 I C -0.660 175.491 176.117 0.057 0.000 0.999 551 I CA -0.404 60.923 61.300 0.044 0.000 1.124 551 I CB 1.851 39.904 38.000 0.088 0.000 1.289 551 I HN 0.505 nan 8.210 nan 0.000 0.441 552 I N 8.246 128.860 120.570 0.074 0.000 2.312 552 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 552 I C -2.248 173.898 176.117 0.048 0.000 1.008 552 I CA -1.862 59.483 61.300 0.076 0.000 1.226 552 I CB 1.444 39.502 38.000 0.097 0.000 1.371 552 I HN 0.247 nan 8.210 nan 0.000 0.468 553 P HA 0.149 nan 4.420 nan 0.000 0.288 553 P C 0.087 177.282 177.300 -0.175 0.000 1.267 553 P CA -0.349 62.720 63.100 -0.052 0.000 0.815 553 P CB 1.322 32.970 31.700 -0.087 0.000 0.989 554 G N 4.310 112.993 108.800 -0.196 0.000 2.821 554 G HA2 0.303 4.263 3.960 -0.000 0.000 0.289 554 G HA3 0.303 4.263 3.960 -0.000 0.000 0.289 554 G C 0.349 174.962 174.900 -0.478 0.000 0.771 554 G CA -0.380 44.582 45.100 -0.231 0.000 1.908 554 G HN 0.386 nan 8.290 nan 0.000 0.539 555 L N 1.796 122.687 121.223 -0.553 0.000 2.466 555 L HA 0.302 4.642 4.340 -0.000 0.000 0.257 555 L C -1.140 175.452 176.870 -0.463 0.000 1.189 555 L CA -1.654 52.689 54.840 -0.828 0.000 0.813 555 L CB 0.059 41.776 42.059 -0.571 0.000 1.118 555 L HN 0.275 nan 8.230 nan 0.000 0.471 556 P HA 0.000 nan 4.420 nan 0.000 0.216 556 P CA 0.000 63.008 63.100 -0.153 0.000 0.800 556 P CB 0.000 31.669 31.700 -0.051 0.000 0.726