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 1e6p_1_B DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WQYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.709 174.700 0.016 0.000 1.109 3 T CA 0.000 62.116 62.100 0.026 0.000 1.349 3 T CB 0.000 68.886 68.868 0.030 0.000 0.612 4 R N 3.114 123.626 120.500 0.021 0.000 2.585 4 R HA 0.196 4.536 4.340 0.001 0.000 0.275 4 R C -0.015 176.254 176.300 -0.051 0.000 1.018 4 R CA -0.178 55.923 56.100 0.003 0.000 1.072 4 R CB 0.409 30.727 30.300 0.029 0.000 0.953 4 R HN 0.380 nan 8.270 nan 0.000 0.419 5 K N 2.672 122.964 120.400 -0.179 0.000 2.298 5 K HA 0.149 4.469 4.320 0.001 0.000 0.280 5 K C -0.226 176.227 176.600 -0.245 0.000 1.032 5 K CA -0.050 56.017 56.287 -0.367 0.000 0.958 5 K CB 1.449 33.319 32.500 -1.051 0.000 0.978 5 K HN 0.710 nan 8.250 nan 0.000 0.472 6 A N 2.180 124.872 122.820 -0.212 0.000 2.445 6 A HA 0.322 4.642 4.320 0.001 0.000 0.242 6 A C -0.280 177.244 177.584 -0.101 0.000 1.075 6 A CA -0.375 51.563 52.037 -0.164 0.000 0.777 6 A CB 0.419 19.116 19.000 -0.505 0.000 1.013 6 A HN 0.371 nan 8.150 nan 0.000 0.493 7 V N 3.955 123.892 119.914 0.039 0.000 2.445 7 V HA 0.266 4.387 4.120 0.001 0.000 0.283 7 V C -0.603 175.542 176.094 0.085 0.000 1.014 7 V CA 0.050 62.438 62.300 0.146 0.000 0.852 7 V CB 0.850 32.825 31.823 0.254 0.000 1.021 7 V HN 0.708 nan 8.190 nan 0.000 0.435 8 I N 4.200 124.730 120.570 -0.067 0.000 2.328 8 I HA 0.612 4.782 4.170 0.001 0.000 0.287 8 I C 0.812 176.590 176.117 -0.565 0.000 1.012 8 I CA -0.179 60.984 61.300 -0.228 0.000 1.195 8 I CB 1.646 39.457 38.000 -0.314 0.000 1.350 8 I HN 0.653 nan 8.210 nan 0.000 0.464 9 G N 5.287 113.681 108.800 -0.677 0.000 2.416 9 G HA2 0.492 4.452 3.960 0.001 0.000 0.324 9 G HA3 0.492 4.452 3.960 0.001 0.000 0.324 9 G C -1.211 173.356 174.900 -0.555 0.000 1.194 9 G CA -0.338 43.995 45.100 -1.279 0.000 0.922 9 G HN 0.333 nan 8.290 nan 0.000 0.467 10 Y N 0.699 120.726 120.300 -0.456 0.000 2.359 10 Y HA 0.270 4.821 4.550 0.001 0.000 0.330 10 Y C -0.215 175.609 175.900 -0.128 0.000 1.143 10 Y CA 0.322 58.308 58.100 -0.189 0.000 1.318 10 Y CB 1.188 39.580 38.460 -0.113 0.000 1.234 10 Y HN 0.521 nan 8.280 nan 0.000 0.522 11 Y N 5.886 126.170 120.300 -0.027 0.000 2.388 11 Y HA 0.366 4.917 4.550 0.000 0.000 0.328 11 Y C -1.693 174.106 175.900 -0.168 0.000 0.963 11 Y CA -1.637 56.471 58.100 0.015 0.000 1.240 11 Y CB 0.300 38.852 38.460 0.154 0.000 1.118 11 Y HN 0.504 nan 8.280 nan 0.000 0.484 12 F N 8.493 127.936 119.950 -0.845 0.000 2.427 12 F HA 0.659 5.186 4.527 0.000 0.000 0.346 12 F C -1.549 173.840 175.800 -0.685 0.000 1.120 12 F CA -1.466 56.057 58.000 -0.795 0.000 1.033 12 F CB 0.800 39.237 39.000 -0.938 0.000 1.126 12 F HN 0.459 nan 8.300 nan 0.000 0.462 13 I N 8.638 128.416 120.570 -1.320 0.000 2.512 13 I HA 0.486 4.656 4.170 0.001 0.000 0.287 13 I C -2.763 172.840 176.117 -0.857 0.000 1.069 13 I CA -2.482 58.276 61.300 -0.903 0.000 1.056 13 I CB 2.212 40.097 38.000 -0.193 0.000 1.229 13 I HN 0.421 nan 8.210 nan 0.000 0.429 14 P HA 0.253 nan 4.420 nan 0.000 0.274 14 P C 0.490 177.762 177.300 -0.047 0.000 1.231 14 P CA -0.257 62.666 63.100 -0.295 0.000 0.790 14 P CB 0.765 32.381 31.700 -0.140 0.000 0.951 15 T N 0.518 115.116 114.554 0.074 0.000 2.685 15 T HA -0.232 4.119 4.350 0.001 0.000 0.268 15 T C 1.608 176.365 174.700 0.095 0.000 1.034 15 T CA 2.119 64.301 62.100 0.137 0.000 1.149 15 T CB -0.805 68.170 68.868 0.178 0.000 0.860 15 T HN 0.531 nan 8.240 nan 0.000 0.449 16 N N 0.622 119.361 118.700 0.065 0.000 2.289 16 N HA -0.079 4.661 4.740 0.001 0.000 0.184 16 N C 1.923 177.469 175.510 0.059 0.000 1.016 16 N CA 1.077 54.160 53.050 0.056 0.000 0.872 16 N CB -0.091 38.420 38.487 0.041 0.000 0.973 16 N HN 0.494 nan 8.380 nan 0.000 0.433 17 Q N -0.556 119.277 119.800 0.055 0.000 2.187 17 Q HA 0.066 4.407 4.340 0.001 0.000 0.199 17 Q C 1.913 178.019 176.000 0.177 0.000 0.957 17 Q CA 0.707 56.561 55.803 0.086 0.000 0.857 17 Q CB 0.177 28.945 28.738 0.050 0.000 0.929 17 Q HN 0.478 nan 8.270 nan 0.000 0.453 18 I N 1.289 121.957 120.570 0.164 0.000 2.179 18 I HA -0.280 3.891 4.170 0.001 0.000 0.242 18 I C 1.595 177.794 176.117 0.137 0.000 1.088 18 I CA 0.851 62.257 61.300 0.177 0.000 1.357 18 I CB -0.262 37.829 38.000 0.152 0.000 1.051 18 I HN 0.200 nan 8.210 nan 0.000 0.409 19 N N 1.013 119.771 118.700 0.097 0.000 2.289 19 N HA -0.128 4.612 4.740 0.001 0.000 0.184 19 N C 0.746 176.301 175.510 0.076 0.000 1.016 19 N CA 1.040 54.130 53.050 0.067 0.000 0.872 19 N CB -0.320 38.199 38.487 0.054 0.000 0.973 19 N HN 0.394 nan 8.380 nan 0.000 0.433 20 N N -0.251 118.505 118.700 0.093 0.000 2.338 20 N HA -0.025 4.716 4.740 0.001 0.000 0.251 20 N C -0.690 174.874 175.510 0.090 0.000 1.199 20 N CA -0.293 52.800 53.050 0.072 0.000 0.879 20 N CB 0.158 38.670 38.487 0.041 0.000 1.159 20 N HN 0.213 nan 8.380 nan 0.000 0.514 21 Y N 2.130 122.441 120.300 0.019 0.000 2.810 21 Y HA 0.010 4.560 4.550 0.000 0.000 0.332 21 Y C 0.592 176.502 175.900 0.015 0.000 1.243 21 Y CA 0.886 59.002 58.100 0.027 0.000 1.537 21 Y CB 0.444 38.925 38.460 0.035 0.000 1.265 21 Y HN -0.090 nan 8.280 nan 0.000 0.572 22 T N 4.982 119.168 114.554 -0.614 0.000 2.932 22 T HA 0.301 4.652 4.350 0.001 0.000 0.318 22 T C -0.415 173.945 174.700 -0.567 0.000 1.265 22 T CA -0.719 61.125 62.100 -0.427 0.000 1.036 22 T CB 1.187 69.942 68.868 -0.188 0.000 1.209 22 T HN 0.753 nan 8.240 nan 0.000 0.484 23 E N 1.738 121.734 120.200 -0.340 0.000 2.499 23 E HA 0.144 4.495 4.350 0.001 0.000 0.199 23 E C 0.547 177.068 176.600 -0.131 0.000 1.016 23 E CA 0.031 56.288 56.400 -0.238 0.000 0.933 23 E CB 0.540 30.165 29.700 -0.125 0.000 1.050 23 E HN 0.720 nan 8.360 nan 0.000 0.462 24 T N -2.169 112.315 114.554 -0.118 0.000 3.288 24 T HA 0.150 4.500 4.350 0.001 0.000 0.293 24 T C -0.201 174.462 174.700 -0.061 0.000 1.008 24 T CA -0.518 61.540 62.100 -0.070 0.000 0.929 24 T CB 0.334 69.171 68.868 -0.051 0.000 1.152 24 T HN -0.156 nan 8.240 nan 0.000 0.517 25 D N 1.619 121.974 120.400 -0.075 0.000 2.337 25 D HA 0.170 4.811 4.640 0.001 0.000 0.238 25 D C 1.176 177.446 176.300 -0.051 0.000 1.331 25 D CA -0.110 53.858 54.000 -0.054 0.000 0.967 25 D CB 1.553 42.322 40.800 -0.052 0.000 1.382 25 D HN 0.188 nan 8.370 nan 0.000 0.549 26 T N -1.061 113.475 114.554 -0.030 0.000 3.051 26 T HA -0.126 4.225 4.350 0.001 0.000 0.269 26 T C 1.665 176.360 174.700 -0.008 0.000 1.127 26 T CA 1.219 63.312 62.100 -0.012 0.000 1.107 26 T CB -0.047 68.825 68.868 0.007 0.000 0.898 26 T HN 0.214 nan 8.240 nan 0.000 0.517 27 S N 0.059 115.750 115.700 -0.015 0.000 2.527 27 S HA 0.109 4.579 4.470 0.001 0.000 0.222 27 S C 1.690 176.282 174.600 -0.013 0.000 0.985 27 S CA 0.182 58.374 58.200 -0.013 0.000 0.921 27 S CB -0.295 62.897 63.200 -0.014 0.000 0.772 27 S HN 0.384 nan 8.310 nan 0.000 0.529 28 V N 0.406 120.307 119.914 -0.021 0.000 2.627 28 V HA 0.320 4.441 4.120 0.001 0.000 0.239 28 V C 0.413 176.494 176.094 -0.020 0.000 1.077 28 V CA 0.462 62.749 62.300 -0.021 0.000 1.103 28 V CB 0.579 32.382 31.823 -0.033 0.000 0.802 28 V HN 0.402 nan 8.190 nan 0.000 0.482 29 V N 1.828 121.717 119.914 -0.041 0.000 2.340 29 V HA 0.299 4.420 4.120 0.001 0.000 0.277 29 V C -1.910 174.189 176.094 0.008 0.000 1.017 29 V CA -0.916 61.368 62.300 -0.027 0.000 0.820 29 V CB 1.272 33.020 31.823 -0.125 0.000 1.028 29 V HN 0.305 nan 8.190 nan 0.000 0.436 30 P HA -0.103 nan 4.420 nan 0.000 0.218 30 P C 0.190 177.617 177.300 0.211 0.000 1.148 30 P CA 1.259 64.419 63.100 0.100 0.000 0.822 30 P CB 0.166 31.922 31.700 0.093 0.000 0.784 31 F N 0.878 120.858 119.950 0.050 0.000 2.686 31 F HA 0.404 4.931 4.527 0.000 0.000 0.365 31 F C -2.674 173.261 175.800 0.225 0.000 1.196 31 F CA -3.218 54.851 58.000 0.114 0.000 1.198 31 F CB 0.784 39.849 39.000 0.109 0.000 1.454 31 F HN -0.195 nan 8.300 nan 0.000 0.539 32 P HA 0.078 nan 4.420 nan 0.000 0.274 32 P C 0.983 178.194 177.300 -0.149 0.000 1.237 32 P CA -0.085 63.003 63.100 -0.019 0.000 0.793 32 P CB 1.976 33.593 31.700 -0.138 0.000 0.977 33 V N 1.376 121.336 119.914 0.077 0.000 2.568 33 V HA -0.232 3.888 4.120 0.001 0.000 0.253 33 V C 2.513 178.545 176.094 -0.104 0.000 1.072 33 V CA 2.619 64.852 62.300 -0.111 0.000 1.084 33 V CB -1.737 30.007 31.823 -0.133 0.000 0.676 33 V HN 0.723 nan 8.190 nan 0.000 0.469 34 S N -0.051 115.618 115.700 -0.051 0.000 2.500 34 S HA -0.183 4.287 4.470 0.001 0.000 0.239 34 S C 1.492 176.048 174.600 -0.074 0.000 0.989 34 S CA 1.498 59.672 58.200 -0.042 0.000 0.951 34 S CB -0.869 62.319 63.200 -0.020 0.000 0.759 34 S HN 0.764 nan 8.310 nan 0.000 0.523 35 N N 0.653 119.245 118.700 -0.180 0.000 2.494 35 N HA 0.188 4.929 4.740 0.001 0.000 0.182 35 N C -0.287 175.222 175.510 -0.001 0.000 1.076 35 N CA 0.342 53.314 53.050 -0.130 0.000 0.908 35 N CB 0.019 38.326 38.487 -0.299 0.000 0.967 35 N HN 0.470 nan 8.380 nan 0.000 0.449 36 I N 2.163 122.727 120.570 -0.010 0.000 2.281 36 I HA 0.041 4.211 4.170 0.001 0.000 0.293 36 I C 0.821 176.977 176.117 0.065 0.000 1.085 36 I CA -0.435 60.926 61.300 0.101 0.000 1.257 36 I CB 0.652 38.727 38.000 0.126 0.000 1.430 36 I HN -0.006 nan 8.210 nan 0.000 0.489 37 T N 2.918 117.507 114.554 0.059 0.000 2.788 37 T HA 0.290 4.641 4.350 0.001 0.000 0.280 37 T C -1.804 172.877 174.700 -0.032 0.000 0.984 37 T CA -1.623 60.479 62.100 0.003 0.000 0.972 37 T CB 1.110 69.976 68.868 -0.003 0.000 1.039 37 T HN 0.201 nan 8.240 nan 0.000 0.530 38 P HA -0.019 nan 4.420 nan 0.000 0.216 38 P C 1.677 178.926 177.300 -0.085 0.000 1.150 38 P CA 1.517 64.430 63.100 -0.311 0.000 0.837 38 P CB -0.356 30.964 31.700 -0.633 0.000 0.786 39 A N 0.163 122.951 122.820 -0.052 0.000 1.883 39 A HA -0.246 4.074 4.320 0.001 0.000 0.217 39 A C 2.069 179.678 177.584 0.042 0.000 1.186 39 A CA 1.913 53.950 52.037 -0.001 0.000 0.624 39 A CB -1.066 17.934 19.000 0.000 0.000 0.822 39 A HN 0.157 nan 8.150 nan 0.000 0.444 40 K N -0.303 120.135 120.400 0.064 0.000 2.097 40 K HA -0.025 4.295 4.320 0.001 0.000 0.206 40 K C 2.271 178.950 176.600 0.131 0.000 1.049 40 K CA 1.046 57.403 56.287 0.115 0.000 0.933 40 K CB -0.336 32.258 32.500 0.156 0.000 0.717 40 K HN 0.437 nan 8.250 nan 0.000 0.442 41 A N 1.998 124.888 122.820 0.116 0.000 1.933 41 A HA -0.185 4.135 4.320 0.001 0.000 0.218 41 A C 1.835 179.488 177.584 0.115 0.000 1.175 41 A CA 1.480 53.595 52.037 0.130 0.000 0.628 41 A CB -0.255 18.841 19.000 0.160 0.000 0.814 41 A HN 0.199 nan 8.150 nan 0.000 0.444 42 K N -0.637 119.821 120.400 0.096 0.000 2.288 42 K HA -0.070 4.250 4.320 0.001 0.000 0.201 42 K C 1.953 178.605 176.600 0.088 0.000 1.048 42 K CA 1.136 57.473 56.287 0.084 0.000 0.956 42 K CB -0.065 32.474 32.500 0.065 0.000 0.746 42 K HN 0.604 nan 8.250 nan 0.000 0.461 43 Q N 0.151 120.011 119.800 0.100 0.000 2.389 43 Q HA 0.077 4.418 4.340 0.001 0.000 0.204 43 Q C 0.027 176.119 176.000 0.153 0.000 0.944 43 Q CA 0.338 56.209 55.803 0.114 0.000 0.908 43 Q CB 0.262 29.063 28.738 0.105 0.000 1.002 43 Q HN 0.199 nan 8.270 nan 0.000 0.493 44 L N -0.211 121.105 121.223 0.153 0.000 2.334 44 L HA 0.220 4.560 4.340 0.001 0.000 0.275 44 L C 1.157 178.094 176.870 0.112 0.000 1.036 44 L CA -0.222 54.716 54.840 0.163 0.000 0.807 44 L CB 1.592 43.750 42.059 0.166 0.000 1.231 44 L HN 0.050 nan 8.230 nan 0.000 0.438 45 T N -3.445 111.180 114.554 0.118 0.000 2.990 45 T HA 0.233 4.583 4.350 0.001 0.000 0.249 45 T C 0.236 174.871 174.700 -0.108 0.000 1.039 45 T CA 0.131 62.254 62.100 0.038 0.000 1.036 45 T CB 0.055 68.993 68.868 0.117 0.000 0.994 45 T HN 0.535 nan 8.240 nan 0.000 0.489 46 H N -0.511 118.555 119.070 -0.005 0.000 2.974 46 H HA 0.684 5.240 4.556 0.000 0.000 0.366 46 H C -1.377 173.918 175.328 -0.055 0.000 1.155 46 H CA -0.851 55.184 56.048 -0.022 0.000 1.186 46 H CB 1.686 31.408 29.762 -0.066 0.000 1.799 46 H HN 0.141 nan 8.280 nan 0.000 0.541 47 I N 2.173 122.807 120.570 0.105 0.000 2.418 47 I HA 0.233 4.403 4.170 0.001 0.000 0.287 47 I C -0.560 175.573 176.117 0.027 0.000 1.008 47 I CA -0.824 60.506 61.300 0.049 0.000 1.104 47 I CB 1.389 39.465 38.000 0.127 0.000 1.264 47 I HN 0.494 nan 8.210 nan 0.000 0.438 48 N N 6.417 125.016 118.700 -0.167 0.000 2.558 48 N HA 0.194 4.934 4.740 0.001 0.000 0.233 48 N C -0.647 174.827 175.510 -0.059 0.000 1.038 48 N CA -0.267 52.629 53.050 -0.257 0.000 0.934 48 N CB 0.485 38.447 38.487 -0.875 0.000 1.175 48 N HN 0.384 nan 8.380 nan 0.000 0.512 49 F N 2.024 121.991 119.950 0.028 0.000 2.538 49 F HA 0.200 4.727 4.527 0.000 0.000 0.371 49 F C 0.045 175.857 175.800 0.021 0.000 1.087 49 F CA 0.190 58.280 58.000 0.150 0.000 1.250 49 F CB 0.437 39.611 39.000 0.291 0.000 1.110 49 F HN 0.194 nan 8.300 nan 0.000 0.570 50 S N 5.784 120.996 115.700 -0.813 0.000 2.541 50 S HA 0.694 5.164 4.470 0.001 0.000 0.280 50 S C -1.452 172.830 174.600 -0.530 0.000 1.112 50 S CA -0.542 57.213 58.200 -0.742 0.000 0.925 50 S CB 1.465 63.913 63.200 -1.254 0.000 1.067 50 S HN 0.477 nan 8.310 nan 0.000 0.479 51 F N 1.103 121.131 119.950 0.131 0.000 2.576 51 F HA 0.668 5.195 4.527 0.001 0.000 0.313 51 F C -0.365 175.591 175.800 0.260 0.000 1.078 51 F CA -0.800 57.343 58.000 0.239 0.000 0.921 51 F CB 1.161 40.364 39.000 0.338 0.000 1.232 51 F HN 0.342 nan 8.300 nan 0.000 0.459 52 L N 1.064 122.518 121.223 0.384 0.000 2.397 52 L HA 0.596 4.937 4.340 0.001 0.000 0.266 52 L C -0.490 176.512 176.870 0.220 0.000 1.040 52 L CA -0.172 54.738 54.840 0.116 0.000 0.800 52 L CB 1.160 43.134 42.059 -0.141 0.000 1.324 52 L HN 0.632 nan 8.230 nan 0.000 0.469 53 D N -1.470 118.921 120.400 -0.014 0.000 2.798 53 D HA 0.526 5.166 4.640 0.001 0.000 0.308 53 D C -1.492 174.699 176.300 -0.181 0.000 1.187 53 D CA -0.360 53.541 54.000 -0.166 0.000 1.033 53 D CB 1.345 41.718 40.800 -0.712 0.000 1.445 53 D HN 0.247 nan 8.370 nan 0.000 0.550 54 I N 2.100 122.444 120.570 -0.376 0.000 2.406 54 I HA 0.320 4.491 4.170 0.001 0.000 0.290 54 I C -0.083 175.828 176.117 -0.344 0.000 0.999 54 I CA -0.924 60.112 61.300 -0.440 0.000 1.124 54 I CB 1.439 38.869 38.000 -0.951 0.000 1.289 54 I HN 0.347 nan 8.210 nan 0.000 0.441 55 N N 3.297 121.873 118.700 -0.207 0.000 2.418 55 N HA 0.113 4.853 4.740 0.001 0.000 0.283 55 N C 0.890 176.309 175.510 -0.151 0.000 1.267 55 N CA -0.481 52.478 53.050 -0.151 0.000 0.975 55 N CB 0.402 38.844 38.487 -0.075 0.000 1.167 55 N HN 0.540 nan 8.380 nan 0.000 0.581 56 S N -1.564 114.073 115.700 -0.105 0.000 2.474 56 S HA -0.148 4.322 4.470 0.001 0.000 0.235 56 S C 1.107 175.659 174.600 -0.080 0.000 0.997 56 S CA 0.866 59.009 58.200 -0.095 0.000 0.949 56 S CB -0.652 62.509 63.200 -0.064 0.000 0.766 56 S HN 0.683 nan 8.310 nan 0.000 0.517 57 N N 1.306 119.968 118.700 -0.063 0.000 2.449 57 N HA 0.192 4.933 4.740 0.001 0.000 0.191 57 N C 0.235 175.715 175.510 -0.050 0.000 1.161 57 N CA 0.066 53.090 53.050 -0.043 0.000 0.863 57 N CB -0.767 37.709 38.487 -0.019 0.000 0.980 57 N HN 0.525 nan 8.380 nan 0.000 0.458 58 L N -0.732 120.433 121.223 -0.096 0.000 3.717 58 L HA -0.267 4.073 4.340 0.001 0.000 0.411 58 L C -0.821 176.036 176.870 -0.022 0.000 1.233 58 L CA 0.649 55.410 54.840 -0.131 0.000 0.917 58 L CB -1.976 40.011 42.059 -0.120 0.000 1.902 58 L HN 0.307 nan 8.230 nan 0.000 0.894 59 E N -0.634 119.574 120.200 0.013 0.000 2.312 59 E HA 0.406 4.756 4.350 0.001 0.000 0.267 59 E C -0.352 176.320 176.600 0.119 0.000 0.894 59 E CA -0.827 55.650 56.400 0.129 0.000 0.773 59 E CB 2.659 32.400 29.700 0.068 0.000 1.241 59 E HN 0.278 nan 8.360 nan 0.000 0.432 60 C N 2.173 121.590 119.300 0.195 0.000 2.634 60 C HA 0.588 5.048 4.460 0.001 0.000 0.418 60 C C 0.072 175.091 174.990 0.048 0.000 1.373 60 C CA 0.209 59.314 59.018 0.144 0.000 1.756 60 C CB -1.675 26.141 27.740 0.127 0.000 2.589 60 C HN 0.651 nan 8.230 nan 0.000 0.602 61 A N 5.167 127.985 122.820 -0.004 0.000 2.610 61 A HA 0.706 5.026 4.320 0.001 0.000 0.291 61 A C -1.465 176.109 177.584 -0.016 0.000 1.086 61 A CA -0.683 51.365 52.037 0.019 0.000 0.677 61 A CB 0.273 19.306 19.000 0.055 0.000 1.278 61 A HN 0.918 nan 8.150 nan 0.000 0.414 62 W N 0.783 122.077 121.300 -0.009 0.000 2.161 62 W HA 0.423 5.084 4.660 0.001 0.000 0.344 62 W C 0.554 177.096 176.519 0.038 0.000 1.262 62 W CA 0.792 58.151 57.345 0.024 0.000 1.270 62 W CB 0.515 29.968 29.460 -0.012 0.000 1.126 62 W HN 0.737 nan 8.180 nan 0.000 0.598 63 D N 2.341 122.954 120.400 0.355 0.000 2.487 63 D HA -0.030 4.610 4.640 0.001 0.000 0.243 63 D C -1.422 175.013 176.300 0.225 0.000 1.154 63 D CA -1.188 52.966 54.000 0.256 0.000 0.876 63 D CB 1.203 42.220 40.800 0.362 0.000 1.161 63 D HN -0.018 nan 8.370 nan 0.000 0.478 64 P HA -0.103 nan 4.420 nan 0.000 0.218 64 P C 0.659 178.020 177.300 0.101 0.000 1.146 64 P CA 1.516 64.683 63.100 0.112 0.000 0.813 64 P CB 0.098 31.846 31.700 0.079 0.000 0.778 65 A N -1.574 121.316 122.820 0.117 0.000 2.238 65 A HA 0.059 4.379 4.320 0.001 0.000 0.208 65 A C 0.851 178.488 177.584 0.088 0.000 1.177 65 A CA 0.527 52.622 52.037 0.096 0.000 0.804 65 A CB -1.158 17.906 19.000 0.107 0.000 0.823 65 A HN 0.119 nan 8.150 nan 0.000 0.482 66 T N 1.791 116.407 114.554 0.103 0.000 2.851 66 T HA 0.102 4.453 4.350 0.001 0.000 0.298 66 T C 0.249 174.931 174.700 -0.029 0.000 0.977 66 T CA -0.419 61.715 62.100 0.057 0.000 1.126 66 T CB 0.438 69.352 68.868 0.077 0.000 0.916 66 T HN 0.404 nan 8.240 nan 0.000 0.529 67 N N 2.548 121.220 118.700 -0.047 0.000 2.405 67 N HA -0.014 4.726 4.740 0.001 0.000 0.260 67 N C 0.716 176.133 175.510 -0.155 0.000 1.152 67 N CA -0.088 52.921 53.050 -0.068 0.000 0.948 67 N CB 1.119 39.583 38.487 -0.039 0.000 1.111 67 N HN 0.620 nan 8.380 nan 0.000 0.485 68 D N 3.858 124.160 120.400 -0.164 0.000 2.123 68 D HA -0.117 4.524 4.640 0.001 0.000 0.196 68 D C 1.681 177.858 176.300 -0.206 0.000 0.992 68 D CA 1.766 55.625 54.000 -0.235 0.000 0.833 68 D CB 0.220 40.936 40.800 -0.140 0.000 0.954 68 D HN 0.666 nan 8.370 nan 0.000 0.455 69 A N 0.400 123.138 122.820 -0.138 0.000 1.902 69 A HA -0.180 4.140 4.320 0.001 0.000 0.217 69 A C 2.105 179.608 177.584 -0.135 0.000 1.181 69 A CA 1.349 53.314 52.037 -0.121 0.000 0.623 69 A CB -0.400 18.550 19.000 -0.083 0.000 0.818 69 A HN 0.070 nan 8.150 nan 0.000 0.443 70 K N -0.073 120.252 120.400 -0.125 0.000 2.097 70 K HA -0.007 4.313 4.320 0.001 0.000 0.205 70 K C 2.236 178.719 176.600 -0.194 0.000 1.050 70 K CA 1.247 57.467 56.287 -0.113 0.000 0.938 70 K CB -0.761 31.711 32.500 -0.047 0.000 0.718 70 K HN 0.463 nan 8.250 nan 0.000 0.442 71 A N 1.597 124.238 122.820 -0.297 0.000 1.877 71 A HA -0.163 4.157 4.320 0.001 0.000 0.216 71 A C 2.259 179.624 177.584 -0.367 0.000 1.186 71 A CA 1.322 53.068 52.037 -0.484 0.000 0.620 71 A CB -0.397 17.900 19.000 -1.172 0.000 0.822 71 A HN 0.240 nan 8.150 nan 0.000 0.443 72 R N -0.622 119.725 120.500 -0.256 0.000 2.091 72 R HA -0.180 4.160 4.340 0.001 0.000 0.238 72 R C 2.027 178.213 176.300 -0.190 0.000 1.136 72 R CA 1.710 57.721 56.100 -0.147 0.000 0.959 72 R CB -0.469 29.746 30.300 -0.142 0.000 0.856 72 R HN 0.722 nan 8.270 nan 0.000 0.437 73 D N -0.041 120.245 120.400 -0.191 0.000 2.117 73 D HA -0.134 4.506 4.640 0.001 0.000 0.197 73 D C 1.710 177.851 176.300 -0.265 0.000 0.987 73 D CA 1.050 54.938 54.000 -0.187 0.000 0.829 73 D CB 0.197 40.910 40.800 -0.145 0.000 0.961 73 D HN -0.046 nan 8.370 nan 0.000 0.460 74 V N -0.188 119.518 119.914 -0.347 0.000 2.295 74 V HA -0.203 3.917 4.120 0.001 0.000 0.246 74 V C 2.570 178.489 176.094 -0.292 0.000 1.049 74 V CA 1.307 63.353 62.300 -0.423 0.000 1.024 74 V CB -0.353 31.276 31.823 -0.324 0.000 0.648 74 V HN 0.187 nan 8.190 nan 0.000 0.447 75 V N 0.727 120.461 119.914 -0.301 0.000 2.343 75 V HA -0.242 3.878 4.120 0.001 0.000 0.247 75 V C 2.337 178.269 176.094 -0.269 0.000 1.051 75 V CA 2.075 64.165 62.300 -0.349 0.000 1.036 75 V CB -0.929 30.607 31.823 -0.478 0.000 0.654 75 V HN 0.568 nan 8.190 nan 0.000 0.451 76 N N 0.478 119.039 118.700 -0.231 0.000 2.149 76 N HA -0.167 4.573 4.740 0.001 0.000 0.188 76 N C 1.943 177.366 175.510 -0.145 0.000 1.019 76 N CA 1.384 54.327 53.050 -0.179 0.000 0.857 76 N CB -0.389 38.007 38.487 -0.152 0.000 0.997 76 N HN 0.500 nan 8.380 nan 0.000 0.426 77 R N 0.314 120.723 120.500 -0.153 0.000 2.120 77 R HA 0.036 4.376 4.340 0.001 0.000 0.234 77 R C 2.161 178.396 176.300 -0.108 0.000 1.123 77 R CA 0.703 56.734 56.100 -0.115 0.000 0.975 77 R CB -0.233 29.993 30.300 -0.122 0.000 0.866 77 R HN 0.228 nan 8.270 nan 0.000 0.446 78 L N -0.133 121.008 121.223 -0.138 0.000 2.095 78 L HA -0.097 4.243 4.340 0.001 0.000 0.204 78 L C 2.595 179.434 176.870 -0.052 0.000 1.080 78 L CA 1.512 56.295 54.840 -0.095 0.000 0.759 78 L CB -0.633 41.380 42.059 -0.076 0.000 0.914 78 L HN 0.327 nan 8.230 nan 0.000 0.439 79 T N -2.721 111.785 114.554 -0.080 0.000 2.962 79 T HA -0.041 4.310 4.350 0.001 0.000 0.270 79 T C 1.823 176.480 174.700 -0.071 0.000 1.088 79 T CA 0.766 62.827 62.100 -0.065 0.000 1.127 79 T CB -0.226 68.582 68.868 -0.100 0.000 0.883 79 T HN 0.273 nan 8.240 nan 0.000 0.493 80 A N 1.452 124.224 122.820 -0.081 0.000 2.067 80 A HA 0.253 4.574 4.320 0.001 0.000 0.219 80 A C 2.281 179.796 177.584 -0.115 0.000 1.158 80 A CA 0.754 52.735 52.037 -0.094 0.000 0.661 80 A CB -0.820 18.135 19.000 -0.076 0.000 0.801 80 A HN 0.579 nan 8.150 nan 0.000 0.452 81 L N -0.899 120.295 121.223 -0.048 0.000 2.275 81 L HA -0.154 4.186 4.340 0.001 0.000 0.215 81 L C 2.182 179.028 176.870 -0.040 0.000 1.119 81 L CA 1.159 56.008 54.840 0.015 0.000 0.790 81 L CB -0.358 41.749 42.059 0.080 0.000 0.919 81 L HN 0.334 nan 8.230 nan 0.000 0.443 82 K N 0.347 120.709 120.400 -0.064 0.000 2.360 82 K HA -0.098 4.222 4.320 0.001 0.000 0.201 82 K C 2.146 178.681 176.600 -0.108 0.000 1.046 82 K CA 1.009 57.262 56.287 -0.056 0.000 0.945 82 K CB -0.193 32.282 32.500 -0.043 0.000 0.750 82 K HN 0.289 nan 8.250 nan 0.000 0.464 83 A N 0.974 123.654 122.820 -0.232 0.000 2.067 83 A HA -0.146 4.174 4.320 0.001 0.000 0.219 83 A C 1.235 178.662 177.584 -0.263 0.000 1.158 83 A CA 1.149 53.016 52.037 -0.283 0.000 0.661 83 A CB -0.380 18.383 19.000 -0.395 0.000 0.801 83 A HN 0.286 nan 8.150 nan 0.000 0.452 84 H N -1.634 117.439 119.070 0.004 0.000 2.551 84 H HA 0.153 4.710 4.556 0.000 0.000 0.271 84 H C -0.257 175.079 175.328 0.013 0.000 0.984 84 H CA 0.509 56.563 56.048 0.010 0.000 1.164 84 H CB 0.250 30.021 29.762 0.016 0.000 1.437 84 H HN 0.508 nan 8.280 nan 0.000 0.550 85 N N 0.851 119.602 118.700 0.084 0.000 2.699 85 N HA 0.055 4.795 4.740 0.001 0.000 0.271 85 N C -2.405 173.115 175.510 0.017 0.000 1.216 85 N CA -1.282 51.803 53.050 0.058 0.000 0.844 85 N CB 1.642 40.172 38.487 0.071 0.000 1.462 85 N HN -0.150 nan 8.380 nan 0.000 0.555 86 P HA 0.015 nan 4.420 nan 0.000 0.231 86 P C 0.288 177.576 177.300 -0.019 0.000 1.158 86 P CA 0.653 63.747 63.100 -0.010 0.000 0.763 86 P CB 0.470 32.167 31.700 -0.006 0.000 0.805 87 S N -0.864 114.827 115.700 -0.016 0.000 2.511 87 S HA 0.103 4.573 4.470 0.001 0.000 0.214 87 S C 0.727 175.282 174.600 -0.075 0.000 0.997 87 S CA -0.435 57.744 58.200 -0.035 0.000 0.908 87 S CB -0.324 62.867 63.200 -0.015 0.000 0.803 87 S HN 0.085 nan 8.310 nan 0.000 0.504 88 L N 3.376 124.568 121.223 -0.051 0.000 2.453 88 L HA 0.283 4.623 4.340 0.001 0.000 0.272 88 L C -0.052 176.769 176.870 -0.081 0.000 1.182 88 L CA 0.467 55.267 54.840 -0.067 0.000 0.858 88 L CB 0.265 42.322 42.059 -0.002 0.000 1.120 88 L HN 0.007 nan 8.230 nan 0.000 0.474 89 R N 5.676 126.095 120.500 -0.135 0.000 2.599 89 R HA 0.545 4.886 4.340 0.001 0.000 0.295 89 R C -1.170 175.175 176.300 0.075 0.000 0.963 89 R CA -0.971 55.103 56.100 -0.042 0.000 0.883 89 R CB 1.685 31.925 30.300 -0.100 0.000 1.171 89 R HN 0.486 nan 8.270 nan 0.000 0.450 90 I N 4.674 125.344 120.570 0.167 0.000 2.307 90 I HA 0.242 4.413 4.170 0.001 0.000 0.287 90 I C 0.228 176.580 176.117 0.391 0.000 1.054 90 I CA -0.350 61.109 61.300 0.264 0.000 1.218 90 I CB 0.760 38.923 38.000 0.272 0.000 1.398 90 I HN 0.504 nan 8.210 nan 0.000 0.475 91 M N 6.364 126.125 119.600 0.268 0.000 2.283 91 M HA 0.444 4.924 4.480 0.001 0.000 0.314 91 M C -0.281 176.040 176.300 0.035 0.000 1.153 91 M CA -0.438 54.958 55.300 0.160 0.000 1.084 91 M CB 1.108 33.736 32.600 0.047 0.000 1.468 91 M HN 0.372 nan 8.290 nan 0.000 0.474 92 F N -1.237 118.468 119.950 -0.408 0.000 2.532 92 F HA 0.746 5.273 4.527 0.001 0.000 0.321 92 F C -0.623 175.038 175.800 -0.232 0.000 1.089 92 F CA -0.974 56.672 58.000 -0.589 0.000 0.926 92 F CB 0.983 39.104 39.000 -1.466 0.000 1.168 92 F HN 0.394 nan 8.300 nan 0.000 0.459 93 S N 3.780 119.465 115.700 -0.025 0.000 2.451 93 S HA 0.658 5.128 4.470 0.001 0.000 0.301 93 S C -0.422 174.357 174.600 0.299 0.000 1.116 93 S CA -0.610 57.642 58.200 0.086 0.000 1.093 93 S CB 0.985 64.345 63.200 0.267 0.000 1.017 93 S HN 0.567 nan 8.310 nan 0.000 0.482 94 I N 3.107 123.830 120.570 0.254 0.000 2.339 94 I HA 0.641 4.811 4.170 0.001 0.000 0.290 94 I C 0.909 177.266 176.117 0.399 0.000 0.994 94 I CA -0.047 61.457 61.300 0.340 0.000 1.191 94 I CB 0.888 39.047 38.000 0.266 0.000 1.343 94 I HN 0.918 nan 8.210 nan 0.000 0.458 95 G N 4.275 113.314 108.800 0.397 0.000 2.390 95 G HA2 0.342 4.303 3.960 0.001 0.000 0.202 95 G HA3 0.342 4.303 3.960 0.001 0.000 0.202 95 G C -0.037 174.588 174.900 -0.460 0.000 1.210 95 G CA 0.068 45.222 45.100 0.091 0.000 1.271 95 G HN 1.463 nan 8.290 nan 0.000 0.543 96 G N -1.947 106.438 108.800 -0.693 0.000 2.663 96 G HA2 0.103 4.064 3.960 0.001 0.000 0.686 96 G HA3 0.103 4.064 3.960 0.001 0.000 0.686 96 G C 0.708 175.207 174.900 -0.669 0.000 1.288 96 G CA 0.477 44.878 45.100 -1.165 0.000 0.836 96 G HN 1.937 nan 8.290 nan 0.000 0.584 97 W N 0.370 121.249 121.300 -0.701 0.000 2.333 97 W HA -0.182 4.478 4.660 0.000 0.000 0.316 97 W C 2.084 178.369 176.519 -0.391 0.000 1.215 97 W CA 2.662 59.697 57.345 -0.516 0.000 1.278 97 W CB -0.390 28.794 29.460 -0.460 0.000 1.154 97 W HN 0.710 nan 8.180 nan 0.000 0.486 98 Y N 0.522 120.592 120.300 -0.383 0.000 2.114 98 Y HA -0.347 4.203 4.550 0.000 0.000 0.282 98 Y C 2.427 178.113 175.900 -0.358 0.000 1.165 98 Y CA 2.767 60.645 58.100 -0.371 0.000 1.148 98 Y CB -1.243 36.997 38.460 -0.367 0.000 0.972 98 Y HN -0.089 nan 8.280 nan 0.000 0.504 99 Y N -0.749 119.322 120.300 -0.382 0.000 2.243 99 Y HA -0.061 4.489 4.550 0.000 0.000 0.293 99 Y C 2.828 178.401 175.900 -0.546 0.000 1.124 99 Y CA 1.167 59.022 58.100 -0.408 0.000 1.159 99 Y CB -0.964 37.395 38.460 -0.168 0.000 1.008 99 Y HN 0.285 nan 8.280 nan 0.000 0.527 100 S N -0.177 115.178 115.700 -0.575 0.000 2.539 100 S HA 0.084 4.555 4.470 0.001 0.000 0.221 100 S C 0.356 174.595 174.600 -0.602 0.000 0.987 100 S CA -0.401 57.290 58.200 -0.849 0.000 0.929 100 S CB -1.201 61.232 63.200 -1.279 0.000 0.832 100 S HN 0.487 nan 8.310 nan 0.000 0.492 101 N N 1.615 119.804 118.700 -0.851 0.000 2.371 101 N HA 0.076 4.816 4.740 0.001 0.000 0.243 101 N C 0.245 175.328 175.510 -0.712 0.000 1.287 101 N CA 0.058 52.482 53.050 -1.044 0.000 0.911 101 N CB 0.183 37.343 38.487 -2.211 0.000 1.142 101 N HN -0.171 nan 8.380 nan 0.000 0.451 102 D N 0.113 120.111 120.400 -0.670 0.000 2.172 102 D HA -0.156 4.484 4.640 0.001 0.000 0.196 102 D C 1.013 176.929 176.300 -0.639 0.000 0.999 102 D CA 1.465 54.957 54.000 -0.847 0.000 0.856 102 D CB -0.132 40.410 40.800 -0.430 0.000 0.934 102 D HN 0.540 nan 8.370 nan 0.000 0.453 103 L N -0.253 120.705 121.223 -0.441 0.000 2.818 103 L HA 0.314 4.655 4.340 0.001 0.000 0.243 103 L C 1.238 177.928 176.870 -0.301 0.000 1.185 103 L CA -0.528 54.140 54.840 -0.286 0.000 0.988 103 L CB 0.623 42.574 42.059 -0.181 0.000 1.292 103 L HN -0.134 nan 8.230 nan 0.000 0.519 104 G N -0.085 108.474 108.800 -0.401 0.000 2.539 104 G HA2 0.286 4.247 3.960 0.001 0.000 0.258 104 G HA3 0.286 4.247 3.960 0.001 0.000 0.258 104 G C 1.216 175.937 174.900 -0.299 0.000 1.202 104 G CA 0.016 44.854 45.100 -0.437 0.000 0.851 104 G HN 0.015 nan 8.290 nan 0.000 0.556 105 V N -1.317 118.378 119.914 -0.365 0.000 2.568 105 V HA -0.061 4.059 4.120 0.001 0.000 0.253 105 V C 1.657 177.677 176.094 -0.123 0.000 1.072 105 V CA 2.257 64.428 62.300 -0.215 0.000 1.084 105 V CB -0.232 31.464 31.823 -0.212 0.000 0.676 105 V HN 0.422 nan 8.190 nan 0.000 0.469 106 S N -1.369 114.264 115.700 -0.110 0.000 2.730 106 S HA 0.224 4.694 4.470 0.001 0.000 0.244 106 S C 1.376 175.964 174.600 -0.020 0.000 1.022 106 S CA 0.081 58.243 58.200 -0.062 0.000 1.014 106 S CB -0.489 62.684 63.200 -0.045 0.000 0.963 106 S HN 0.806 nan 8.310 nan 0.000 0.540 107 H N 2.518 121.482 119.070 -0.177 0.000 2.321 107 H HA -0.173 4.383 4.556 0.000 0.000 0.295 107 H C 2.167 177.407 175.328 -0.145 0.000 1.102 107 H CA 1.937 57.854 56.048 -0.219 0.000 1.266 107 H CB -0.107 29.515 29.762 -0.234 0.000 1.363 107 H HN 0.470 nan 8.280 nan 0.000 0.492 108 A N 1.167 123.888 122.820 -0.166 0.000 1.978 108 A HA -0.220 4.100 4.320 0.001 0.000 0.220 108 A C 2.212 179.631 177.584 -0.276 0.000 1.170 108 A CA 1.679 53.596 52.037 -0.199 0.000 0.636 108 A CB -0.381 18.565 19.000 -0.090 0.000 0.810 108 A HN 0.551 nan 8.150 nan 0.000 0.448 109 N N -1.058 117.476 118.700 -0.278 0.000 2.244 109 N HA -0.139 4.601 4.740 0.001 0.000 0.183 109 N C 1.404 176.542 175.510 -0.620 0.000 1.016 109 N CA 1.541 54.360 53.050 -0.386 0.000 0.866 109 N CB -0.590 37.663 38.487 -0.390 0.000 0.980 109 N HN 0.660 nan 8.380 nan 0.000 0.430 110 Y N 0.959 120.791 120.300 -0.780 0.000 2.163 110 Y HA -0.054 4.497 4.550 0.000 0.000 0.288 110 Y C 2.518 177.830 175.900 -0.981 0.000 1.136 110 Y CA 0.563 57.964 58.100 -1.165 0.000 1.147 110 Y CB -0.794 36.493 38.460 -1.955 0.000 0.987 110 Y HN -0.196 nan 8.280 nan 0.000 0.509 111 V N 0.592 120.138 119.914 -0.612 0.000 2.287 111 V HA -0.347 3.774 4.120 0.001 0.000 0.248 111 V C 1.630 177.637 176.094 -0.145 0.000 1.053 111 V CA 2.448 64.627 62.300 -0.203 0.000 1.027 111 V CB -0.813 30.921 31.823 -0.147 0.000 0.646 111 V HN 0.490 nan 8.190 nan 0.000 0.447 112 N N 0.137 118.712 118.700 -0.209 0.000 2.244 112 N HA -0.063 4.677 4.740 0.001 0.000 0.183 112 N C 1.852 177.261 175.510 -0.168 0.000 1.016 112 N CA 1.037 53.997 53.050 -0.150 0.000 0.866 112 N CB -0.301 38.099 38.487 -0.145 0.000 0.980 112 N HN 0.482 nan 8.380 nan 0.000 0.430 113 A N 0.836 123.479 122.820 -0.295 0.000 1.969 113 A HA -0.079 4.242 4.320 0.001 0.000 0.218 113 A C 2.121 179.601 177.584 -0.173 0.000 1.169 113 A CA 1.321 53.169 52.037 -0.314 0.000 0.635 113 A CB -0.589 17.997 19.000 -0.691 0.000 0.810 113 A HN 0.251 nan 8.150 nan 0.000 0.445 114 V N -3.305 116.542 119.914 -0.112 0.000 3.649 114 V HA 0.126 4.246 4.120 0.001 0.000 0.275 114 V C 1.517 177.653 176.094 0.069 0.000 1.281 114 V CA 0.936 63.266 62.300 0.050 0.000 1.143 114 V CB -0.537 31.416 31.823 0.217 0.000 0.892 114 V HN 0.405 nan 8.190 nan 0.000 0.441 115 K N 1.824 122.240 120.400 0.027 0.000 2.026 115 K HA -0.013 4.307 4.320 0.001 0.000 0.208 115 K C 1.189 177.811 176.600 0.036 0.000 1.048 115 K CA 1.853 58.161 56.287 0.034 0.000 0.929 115 K CB -0.164 32.343 32.500 0.010 0.000 0.713 115 K HN 0.781 nan 8.250 nan 0.000 0.439 116 T N -3.269 111.302 114.554 0.029 0.000 2.907 116 T HA 0.265 4.615 4.350 0.001 0.000 0.290 116 T C -2.480 172.241 174.700 0.034 0.000 1.066 116 T CA -2.051 60.066 62.100 0.029 0.000 1.012 116 T CB 1.960 70.839 68.868 0.019 0.000 1.184 116 T HN -0.287 nan 8.240 nan 0.000 0.522 117 P HA -0.007 nan 4.420 nan 0.000 0.215 117 P C 1.629 178.947 177.300 0.030 0.000 1.153 117 P CA 1.631 64.749 63.100 0.030 0.000 0.853 117 P CB -0.258 31.456 31.700 0.023 0.000 0.788 118 A N -0.002 122.833 122.820 0.025 0.000 1.898 118 A HA -0.181 4.139 4.320 0.001 0.000 0.216 118 A C 2.401 180.004 177.584 0.032 0.000 1.181 118 A CA 2.328 54.379 52.037 0.023 0.000 0.620 118 A CB -1.634 17.375 19.000 0.015 0.000 0.819 118 A HN 0.330 nan 8.150 nan 0.000 0.442 119 S N -0.054 115.664 115.700 0.031 0.000 2.383 119 S HA -0.172 4.299 4.470 0.001 0.000 0.227 119 S C 2.016 176.667 174.600 0.085 0.000 1.026 119 S CA 1.175 59.397 58.200 0.037 0.000 0.981 119 S CB -0.483 62.721 63.200 0.005 0.000 0.818 119 S HN 0.600 nan 8.310 nan 0.000 0.472 120 R N 1.415 121.968 120.500 0.089 0.000 2.092 120 R HA 0.109 4.450 4.340 0.001 0.000 0.231 120 R C 2.778 179.151 176.300 0.122 0.000 1.119 120 R CA 1.208 57.395 56.100 0.144 0.000 0.970 120 R CB -0.772 29.593 30.300 0.108 0.000 0.864 120 R HN 0.584 nan 8.270 nan 0.000 0.440 121 A N 1.630 124.490 122.820 0.067 0.000 1.877 121 A HA -0.211 4.110 4.320 0.001 0.000 0.216 121 A C 2.091 179.693 177.584 0.029 0.000 1.186 121 A CA 1.500 53.557 52.037 0.033 0.000 0.620 121 A CB -0.369 18.644 19.000 0.021 0.000 0.822 121 A HN 0.224 nan 8.150 nan 0.000 0.443 122 K N -1.558 118.873 120.400 0.051 0.000 2.057 122 K HA -0.174 4.146 4.320 0.001 0.000 0.207 122 K C 1.835 178.480 176.600 0.074 0.000 1.049 122 K CA 1.735 58.051 56.287 0.048 0.000 0.931 122 K CB -0.351 32.179 32.500 0.050 0.000 0.714 122 K HN 0.384 nan 8.250 nan 0.000 0.440 123 F N 1.397 121.327 119.950 -0.033 0.000 2.102 123 F HA -0.087 4.441 4.527 0.001 0.000 0.298 123 F C 1.994 177.781 175.800 -0.023 0.000 1.105 123 F CA 1.397 59.371 58.000 -0.044 0.000 1.239 123 F CB -0.812 38.151 39.000 -0.063 0.000 0.991 123 F HN 0.093 nan 8.300 nan 0.000 0.474 124 A N 0.049 122.708 122.820 -0.270 0.000 1.908 124 A HA -0.250 4.071 4.320 0.001 0.000 0.218 124 A C 2.157 179.591 177.584 -0.250 0.000 1.181 124 A CA 1.916 53.742 52.037 -0.351 0.000 0.627 124 A CB -0.968 17.953 19.000 -0.133 0.000 0.818 124 A HN 0.604 nan 8.150 nan 0.000 0.445 125 Q N 0.021 119.740 119.800 -0.136 0.000 2.124 125 Q HA -0.146 4.194 4.340 0.001 0.000 0.202 125 Q C 2.458 178.404 176.000 -0.090 0.000 0.977 125 Q CA 1.927 57.677 55.803 -0.088 0.000 0.850 125 Q CB -0.248 28.465 28.738 -0.043 0.000 0.901 125 Q HN 0.882 nan 8.270 nan 0.000 0.429 126 S N -0.597 115.039 115.700 -0.105 0.000 2.383 126 S HA -0.164 4.307 4.470 0.001 0.000 0.227 126 S C 2.125 176.678 174.600 -0.077 0.000 1.026 126 S CA 1.069 59.231 58.200 -0.063 0.000 0.981 126 S CB -0.688 62.502 63.200 -0.016 0.000 0.818 126 S HN 0.433 nan 8.310 nan 0.000 0.472 127 C N 1.290 120.470 119.300 -0.201 0.000 2.432 127 C HA 0.036 4.496 4.460 0.001 0.000 0.277 127 C C 2.808 177.828 174.990 0.049 0.000 1.249 127 C CA 0.740 59.713 59.018 -0.074 0.000 1.725 127 C CB -1.381 26.183 27.740 -0.294 0.000 2.028 127 C HN 0.548 nan 8.230 nan 0.000 0.477 128 V N 0.839 120.723 119.914 -0.050 0.000 2.515 128 V HA -0.190 3.931 4.120 0.001 0.000 0.250 128 V C 2.620 178.698 176.094 -0.028 0.000 1.058 128 V CA 1.861 64.132 62.300 -0.049 0.000 1.064 128 V CB -0.823 30.945 31.823 -0.091 0.000 0.675 128 V HN 0.499 nan 8.190 nan 0.000 0.461 129 R N -0.076 120.413 120.500 -0.017 0.000 2.081 129 R HA -0.124 4.216 4.340 0.001 0.000 0.235 129 R C 2.304 178.629 176.300 0.043 0.000 1.131 129 R CA 1.559 57.659 56.100 0.000 0.000 0.960 129 R CB -0.138 30.166 30.300 0.006 0.000 0.856 129 R HN 0.336 nan 8.270 nan 0.000 0.436 130 I N 1.022 121.633 120.570 0.068 0.000 2.179 130 I HA -0.309 3.861 4.170 0.001 0.000 0.242 130 I C 2.533 178.719 176.117 0.115 0.000 1.088 130 I CA 1.302 62.669 61.300 0.112 0.000 1.357 130 I CB -0.937 37.004 38.000 -0.098 0.000 1.051 130 I HN 0.392 nan 8.210 nan 0.000 0.409 131 M N 0.456 120.113 119.600 0.095 0.000 2.080 131 M HA -0.259 4.221 4.480 0.001 0.000 0.260 131 M C 2.203 178.582 176.300 0.132 0.000 1.068 131 M CA 1.886 57.334 55.300 0.247 0.000 1.109 131 M CB -0.117 32.647 32.600 0.272 0.000 1.342 131 M HN 0.014 nan 8.290 nan 0.000 0.405 132 K N 0.140 120.548 120.400 0.014 0.000 2.062 132 K HA -0.136 4.185 4.320 0.001 0.000 0.205 132 K C 1.680 178.244 176.600 -0.060 0.000 1.051 132 K CA 1.495 57.761 56.287 -0.035 0.000 0.941 132 K CB -0.907 31.554 32.500 -0.065 0.000 0.719 132 K HN 0.427 nan 8.250 nan 0.000 0.440 133 D N -0.068 120.292 120.400 -0.067 0.000 2.149 133 D HA -0.171 4.469 4.640 0.001 0.000 0.198 133 D C 1.366 177.399 176.300 -0.444 0.000 0.990 133 D CA 1.324 55.184 54.000 -0.233 0.000 0.839 133 D CB 0.057 40.718 40.800 -0.232 0.000 0.948 133 D HN 0.222 nan 8.370 nan 0.000 0.460 134 Y N -1.332 118.887 120.300 -0.134 0.000 2.478 134 Y HA 0.332 4.882 4.550 0.000 0.000 0.261 134 Y C 1.813 177.429 175.900 -0.473 0.000 1.127 134 Y CA 0.460 58.382 58.100 -0.297 0.000 1.288 134 Y CB 0.838 39.118 38.460 -0.300 0.000 1.084 134 Y HN 0.085 nan 8.280 nan 0.000 0.530 135 G N -0.499 108.168 108.800 -0.222 0.000 2.131 135 G HA2 -0.252 3.708 3.960 0.001 0.000 0.201 135 G HA3 -0.252 3.708 3.960 0.001 0.000 0.201 135 G C -0.144 174.681 174.900 -0.124 0.000 1.000 135 G CA -0.583 44.411 45.100 -0.177 0.000 0.680 135 G HN 0.104 nan 8.290 nan 0.000 0.514 136 F N 0.611 120.623 119.950 0.103 0.000 2.399 136 F HA 0.459 4.986 4.527 0.000 0.000 0.313 136 F C 1.356 177.293 175.800 0.228 0.000 1.202 136 F CA -0.234 57.873 58.000 0.177 0.000 1.192 136 F CB 0.605 39.783 39.000 0.298 0.000 1.256 136 F HN -0.026 nan 8.300 nan 0.000 0.558 137 D N 0.002 120.695 120.400 0.488 0.000 2.398 137 D HA 0.301 4.942 4.640 0.001 0.000 0.210 137 D C 0.591 177.155 176.300 0.439 0.000 1.094 137 D CA 0.424 54.686 54.000 0.438 0.000 0.839 137 D CB 0.819 41.776 40.800 0.261 0.000 0.963 137 D HN 0.616 nan 8.370 nan 0.000 0.506 138 G N -0.356 108.657 108.800 0.355 0.000 2.328 138 G HA2 0.353 4.313 3.960 0.001 0.000 0.295 138 G HA3 0.353 4.313 3.960 0.001 0.000 0.295 138 G C -1.808 173.080 174.900 -0.019 0.000 1.413 138 G CA -0.590 44.630 45.100 0.201 0.000 0.817 138 G HN -0.073 nan 8.290 nan 0.000 0.546 139 V N 0.496 120.308 119.914 -0.170 0.000 2.495 139 V HA 0.645 4.766 4.120 0.001 0.000 0.298 139 V C -0.886 175.010 176.094 -0.331 0.000 1.031 139 V CA -0.440 61.549 62.300 -0.518 0.000 0.871 139 V CB 1.790 33.373 31.823 -0.400 0.000 0.988 139 V HN 0.873 nan 8.190 nan 0.000 0.432 140 D N 3.842 124.006 120.400 -0.394 0.000 2.502 140 D HA 0.508 5.148 4.640 0.001 0.000 0.249 140 D C -0.960 175.317 176.300 -0.038 0.000 1.092 140 D CA -0.414 53.505 54.000 -0.136 0.000 0.839 140 D CB 1.210 41.954 40.800 -0.092 0.000 1.264 140 D HN 0.255 nan 8.370 nan 0.000 0.511 141 I N 3.259 123.882 120.570 0.089 0.000 2.339 141 I HA 0.271 4.441 4.170 0.001 0.000 0.290 141 I C -0.487 175.792 176.117 0.270 0.000 0.994 141 I CA -0.624 60.812 61.300 0.227 0.000 1.191 141 I CB 1.422 39.623 38.000 0.336 0.000 1.343 141 I HN 0.403 nan 8.210 nan 0.000 0.458 142 D N 6.032 126.594 120.400 0.269 0.000 2.863 142 D HA 0.078 4.718 4.640 0.001 0.000 0.323 142 D C -0.450 175.870 176.300 0.033 0.000 1.286 142 D CA -0.151 53.953 54.000 0.173 0.000 0.921 142 D CB 0.272 41.214 40.800 0.236 0.000 1.024 142 D HN 0.356 nan 8.370 nan 0.000 0.505 143 W N 2.024 123.216 121.300 -0.180 0.000 2.358 143 W HA 0.285 4.946 4.660 0.001 0.000 0.307 143 W C -0.449 175.706 176.519 -0.607 0.000 1.203 143 W CA -0.759 56.330 57.345 -0.427 0.000 1.279 143 W CB 0.405 29.672 29.460 -0.322 0.000 1.264 143 W HN 0.094 nan 8.180 nan 0.000 0.474 144 Q N 6.671 126.203 119.800 -0.446 0.000 2.626 144 Q HA 0.272 4.613 4.340 0.001 0.000 0.239 144 Q C -1.582 173.996 176.000 -0.702 0.000 1.101 144 Q CA -0.204 54.803 55.803 -1.327 0.000 0.918 144 Q CB 0.925 28.962 28.738 -1.167 0.000 1.151 144 Q HN 0.365 nan 8.270 nan 0.000 0.531 145 Y N 0.108 120.303 120.300 -0.176 0.000 2.581 145 Y HA 0.389 4.939 4.550 0.000 0.000 0.337 145 Y C -2.441 172.987 175.900 -0.787 0.000 1.108 145 Y CA -2.723 55.113 58.100 -0.440 0.000 1.033 145 Y CB 1.261 39.645 38.460 -0.127 0.000 1.318 145 Y HN 0.303 nan 8.280 nan 0.000 0.459 146 P HA 0.128 nan 4.420 nan 0.000 0.271 146 P C -1.338 175.688 177.300 -0.456 0.000 1.218 146 P CA -0.098 62.137 63.100 -1.441 0.000 0.780 146 P CB 1.491 31.929 31.700 -2.103 0.000 0.901 147 Q N 1.266 120.934 119.800 -0.220 0.000 2.626 147 Q HA 0.629 4.970 4.340 0.001 0.000 0.300 147 Q C -0.092 175.898 176.000 -0.016 0.000 0.988 147 Q CA -0.807 54.964 55.803 -0.053 0.000 0.761 147 Q CB 1.196 29.942 28.738 0.013 0.000 1.494 147 Q HN 0.435 nan 8.270 nan 0.000 0.439 148 A N 0.926 123.748 122.820 0.003 0.000 5.318 148 A HA -0.367 3.953 4.320 0.001 0.000 0.329 148 A C 1.536 179.134 177.584 0.023 0.000 1.789 148 A CA 2.670 54.716 52.037 0.014 0.000 0.711 148 A CB -2.246 16.767 19.000 0.023 0.000 1.398 148 A HN 1.843 nan 8.150 nan 0.000 0.392 149 A N -0.851 121.990 122.820 0.035 0.000 2.216 149 A HA 0.110 4.431 4.320 0.001 0.000 0.214 149 A C 1.585 179.205 177.584 0.060 0.000 1.160 149 A CA 1.949 54.013 52.037 0.045 0.000 0.725 149 A CB -0.756 18.272 19.000 0.046 0.000 0.784 149 A HN 0.739 nan 8.150 nan 0.000 0.472 150 E N -0.577 119.657 120.200 0.055 0.000 2.299 150 E HA -0.019 4.331 4.350 0.001 0.000 0.193 150 E C 1.686 178.321 176.600 0.059 0.000 0.998 150 E CA 0.639 57.087 56.400 0.080 0.000 0.851 150 E CB -0.087 29.660 29.700 0.079 0.000 0.795 150 E HN 0.404 nan 8.360 nan 0.000 0.492 151 V N 2.077 122.004 119.914 0.023 0.000 2.295 151 V HA -0.266 3.854 4.120 0.001 0.000 0.246 151 V C 1.618 177.800 176.094 0.146 0.000 1.049 151 V CA 2.039 64.385 62.300 0.077 0.000 1.024 151 V CB -0.420 31.446 31.823 0.072 0.000 0.648 151 V HN 0.196 nan 8.190 nan 0.000 0.447 152 D N 0.701 121.162 120.400 0.101 0.000 2.149 152 D HA -0.114 4.526 4.640 0.001 0.000 0.198 152 D C 2.204 178.567 176.300 0.105 0.000 0.990 152 D CA 1.629 55.681 54.000 0.087 0.000 0.839 152 D CB -0.632 40.205 40.800 0.063 0.000 0.948 152 D HN 0.467 nan 8.370 nan 0.000 0.460 153 G N -0.023 108.857 108.800 0.134 0.000 2.402 153 G HA2 -0.272 3.688 3.960 0.001 0.000 0.216 153 G HA3 -0.272 3.688 3.960 0.001 0.000 0.216 153 G C 1.485 176.514 174.900 0.215 0.000 1.162 153 G CA 0.344 45.535 45.100 0.153 0.000 0.777 153 G HN 0.239 nan 8.290 nan 0.000 0.539 154 F N 1.582 121.587 119.950 0.093 0.000 2.095 154 F HA -0.052 4.475 4.527 0.001 0.000 0.298 154 F C 2.439 178.281 175.800 0.069 0.000 1.104 154 F CA 1.139 59.206 58.000 0.110 0.000 1.232 154 F CB -0.327 38.659 39.000 -0.024 0.000 0.987 154 F HN 0.116 nan 8.300 nan 0.000 0.475 155 I N 0.243 120.808 120.570 -0.007 0.000 2.163 155 I HA -0.330 3.840 4.170 0.001 0.000 0.243 155 I C 2.692 178.756 176.117 -0.088 0.000 1.085 155 I CA 1.407 62.633 61.300 -0.123 0.000 1.347 155 I CB -0.962 37.030 38.000 -0.015 0.000 1.044 155 I HN 0.233 nan 8.210 nan 0.000 0.408 156 A N 0.544 123.360 122.820 -0.008 0.000 1.972 156 A HA -0.156 4.165 4.320 0.001 0.000 0.219 156 A C 2.512 180.100 177.584 0.008 0.000 1.169 156 A CA 1.807 53.847 52.037 0.006 0.000 0.635 156 A CB -0.787 18.234 19.000 0.035 0.000 0.810 156 A HN 0.450 nan 8.150 nan 0.000 0.446 157 A N -0.175 122.664 122.820 0.031 0.000 1.898 157 A HA -0.022 4.299 4.320 0.001 0.000 0.216 157 A C 2.149 179.735 177.584 0.003 0.000 1.181 157 A CA 1.442 53.530 52.037 0.084 0.000 0.620 157 A CB -0.585 18.540 19.000 0.208 0.000 0.819 157 A HN 0.469 nan 8.150 nan 0.000 0.442 158 L N -0.862 120.288 121.223 -0.122 0.000 2.046 158 L HA -0.263 4.078 4.340 0.001 0.000 0.208 158 L C 2.889 179.700 176.870 -0.097 0.000 1.077 158 L CA 1.613 56.356 54.840 -0.161 0.000 0.747 158 L CB -0.608 41.263 42.059 -0.314 0.000 0.896 158 L HN 0.484 nan 8.230 nan 0.000 0.432 159 Q N -0.382 119.371 119.800 -0.079 0.000 2.084 159 Q HA -0.264 4.076 4.340 0.001 0.000 0.202 159 Q C 2.115 178.095 176.000 -0.033 0.000 0.978 159 Q CA 1.727 57.501 55.803 -0.049 0.000 0.844 159 Q CB -0.069 28.648 28.738 -0.035 0.000 0.898 159 Q HN 0.363 nan 8.270 nan 0.000 0.426 160 E N 1.106 121.292 120.200 -0.023 0.000 2.072 160 E HA -0.147 4.204 4.350 0.001 0.000 0.191 160 E C 1.670 178.248 176.600 -0.037 0.000 0.985 160 E CA 1.041 57.431 56.400 -0.018 0.000 0.801 160 E CB -0.162 29.539 29.700 0.001 0.000 0.750 160 E HN 0.337 nan 8.360 nan 0.000 0.452 161 I N 0.309 120.846 120.570 -0.055 0.000 2.286 161 I HA -0.244 3.926 4.170 0.001 0.000 0.248 161 I C 2.524 178.608 176.117 -0.055 0.000 1.115 161 I CA 1.183 62.434 61.300 -0.082 0.000 1.392 161 I CB -0.277 37.657 38.000 -0.109 0.000 1.065 161 I HN 0.100 nan 8.210 nan 0.000 0.418 162 R N 1.167 121.640 120.500 -0.045 0.000 2.073 162 R HA -0.143 4.197 4.340 0.001 0.000 0.234 162 R C 2.116 178.408 176.300 -0.013 0.000 1.134 162 R CA 2.354 58.438 56.100 -0.027 0.000 0.952 162 R CB -1.215 29.065 30.300 -0.033 0.000 0.850 162 R HN 0.194 nan 8.270 nan 0.000 0.433 163 T N 1.474 116.018 114.554 -0.017 0.000 2.720 163 T HA -0.090 4.260 4.350 0.001 0.000 0.268 163 T C 1.725 176.422 174.700 -0.004 0.000 1.037 163 T CA 1.689 63.784 62.100 -0.008 0.000 1.144 163 T CB -0.212 68.651 68.868 -0.010 0.000 0.864 163 T HN 0.161 nan 8.240 nan 0.000 0.444 164 L N 0.246 121.459 121.223 -0.017 0.000 2.093 164 L HA -0.002 4.338 4.340 0.001 0.000 0.208 164 L C 2.477 179.343 176.870 -0.006 0.000 1.085 164 L CA 0.997 55.825 54.840 -0.020 0.000 0.755 164 L CB -0.587 41.445 42.059 -0.045 0.000 0.904 164 L HN 0.266 nan 8.230 nan 0.000 0.435 165 L N -0.455 120.770 121.223 0.003 0.000 2.072 165 L HA -0.169 4.171 4.340 0.001 0.000 0.205 165 L C 2.296 179.241 176.870 0.125 0.000 1.079 165 L CA 0.947 55.819 54.840 0.053 0.000 0.752 165 L CB -0.555 41.543 42.059 0.064 0.000 0.906 165 L HN 0.311 nan 8.230 nan 0.000 0.436 166 N N -0.136 118.608 118.700 0.073 0.000 2.120 166 N HA -0.232 4.508 4.740 0.001 0.000 0.188 166 N C 1.828 177.380 175.510 0.069 0.000 1.024 166 N CA 1.057 54.147 53.050 0.067 0.000 0.852 166 N CB -0.229 38.277 38.487 0.031 0.000 1.003 166 N HN 0.223 nan 8.380 nan 0.000 0.424 167 Q N 0.703 120.534 119.800 0.051 0.000 2.119 167 Q HA -0.085 4.256 4.340 0.001 0.000 0.201 167 Q C 1.876 177.920 176.000 0.073 0.000 0.972 167 Q CA 1.395 57.225 55.803 0.045 0.000 0.847 167 Q CB -0.328 28.425 28.738 0.024 0.000 0.903 167 Q HN 0.230 nan 8.270 nan 0.000 0.433 168 Q N -0.755 119.102 119.800 0.095 0.000 2.124 168 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 168 Q C 1.811 177.990 176.000 0.298 0.000 0.977 168 Q CA 2.144 58.031 55.803 0.141 0.000 0.850 168 Q CB -0.538 28.216 28.738 0.027 0.000 0.901 168 Q HN 0.463 nan 8.270 nan 0.000 0.429 169 T N 0.389 115.130 114.554 0.311 0.000 2.720 169 T HA -0.119 4.232 4.350 0.001 0.000 0.268 169 T C 1.680 176.418 174.700 0.064 0.000 1.037 169 T CA 1.508 63.699 62.100 0.151 0.000 1.144 169 T CB -0.226 68.672 68.868 0.050 0.000 0.864 169 T HN 0.272 nan 8.240 nan 0.000 0.444 170 I N 0.883 121.490 120.570 0.061 0.000 2.202 170 I HA -0.161 4.009 4.170 0.001 0.000 0.242 170 I C 2.746 178.887 176.117 0.040 0.000 1.091 170 I CA 1.105 62.425 61.300 0.033 0.000 1.368 170 I CB -0.723 37.292 38.000 0.027 0.000 1.058 170 I HN 0.217 nan 8.210 nan 0.000 0.410 171 T N 0.187 114.775 114.554 0.057 0.000 2.699 171 T HA -0.191 4.159 4.350 0.001 0.000 0.268 171 T C 1.247 175.980 174.700 0.056 0.000 1.036 171 T CA 1.620 63.750 62.100 0.051 0.000 1.147 171 T CB -0.271 68.629 68.868 0.053 0.000 0.862 171 T HN 0.283 nan 8.240 nan 0.000 0.446 172 D N 0.071 120.526 120.400 0.092 0.000 2.340 172 D HA 0.233 4.873 4.640 0.001 0.000 0.220 172 D C 1.419 177.738 176.300 0.031 0.000 1.039 172 D CA 0.430 54.483 54.000 0.088 0.000 0.866 172 D CB -0.355 40.560 40.800 0.192 0.000 0.913 172 D HN 0.454 nan 8.370 nan 0.000 0.523 173 G N 1.713 110.520 108.800 0.013 0.000 2.273 173 G HA2 -0.331 3.629 3.960 0.001 0.000 0.280 173 G HA3 -0.331 3.629 3.960 0.001 0.000 0.280 173 G C 0.831 175.703 174.900 -0.046 0.000 1.047 173 G CA -0.168 44.924 45.100 -0.013 0.000 0.869 173 G HN 0.195 nan 8.290 nan 0.000 0.502 174 R N -0.675 119.774 120.500 -0.085 0.000 2.568 174 R HA 0.161 4.502 4.340 0.001 0.000 0.288 174 R C 1.968 178.176 176.300 -0.154 0.000 1.077 174 R CA 0.146 56.141 56.100 -0.175 0.000 1.102 174 R CB 0.161 30.217 30.300 -0.408 0.000 1.278 174 R HN 0.572 nan 8.270 nan 0.000 0.560 175 Q N 0.090 119.837 119.800 -0.088 0.000 2.234 175 Q HA -0.079 4.261 4.340 0.001 0.000 0.206 175 Q C 1.872 177.832 176.000 -0.066 0.000 0.980 175 Q CA 1.893 57.655 55.803 -0.067 0.000 0.869 175 Q CB -0.099 28.615 28.738 -0.040 0.000 0.912 175 Q HN 0.312 nan 8.270 nan 0.000 0.436 176 A N -0.715 122.063 122.820 -0.069 0.000 2.067 176 A HA 0.096 4.416 4.320 0.001 0.000 0.217 176 A C 0.773 178.316 177.584 -0.069 0.000 1.156 176 A CA 0.513 52.516 52.037 -0.057 0.000 0.683 176 A CB 0.342 19.314 19.000 -0.047 0.000 0.808 176 A HN 0.280 nan 8.150 nan 0.000 0.455 177 L N 0.155 121.313 121.223 -0.109 0.000 2.472 177 L HA 0.376 4.716 4.340 0.001 0.000 0.256 177 L C -2.940 173.805 176.870 -0.209 0.000 1.560 177 L CA -1.827 52.940 54.840 -0.122 0.000 0.805 177 L CB 1.413 43.405 42.059 -0.112 0.000 1.017 177 L HN -0.134 nan 8.230 nan 0.000 0.519 178 P HA 0.035 nan 4.420 nan 0.000 0.265 178 P C -0.954 176.251 177.300 -0.159 0.000 1.187 178 P CA 0.303 63.285 63.100 -0.197 0.000 0.766 178 P CB 0.130 31.786 31.700 -0.073 0.000 0.820 179 Y N 0.898 121.218 120.300 0.034 0.000 2.597 179 Y HA 0.115 4.665 4.550 0.001 0.000 0.336 179 Y C 1.433 177.358 175.900 0.040 0.000 1.216 179 Y CA 0.778 58.907 58.100 0.049 0.000 1.463 179 Y CB 0.059 38.549 38.460 0.050 0.000 1.303 179 Y HN 0.344 nan 8.280 nan 0.000 0.576 180 Q N 1.602 121.533 119.800 0.218 0.000 2.378 180 Q HA 0.699 5.040 4.340 0.001 0.000 0.276 180 Q C -1.686 174.364 176.000 0.084 0.000 1.083 180 Q CA -1.397 54.486 55.803 0.133 0.000 0.856 180 Q CB 2.749 31.591 28.738 0.173 0.000 1.383 180 Q HN 0.541 nan 8.270 nan 0.000 0.458 181 L N 0.651 121.895 121.223 0.036 0.000 2.438 181 L HA 0.613 4.954 4.340 0.001 0.000 0.270 181 L C -1.129 175.742 176.870 0.001 0.000 0.972 181 L CA 0.088 54.924 54.840 -0.007 0.000 0.831 181 L CB 2.148 44.189 42.059 -0.030 0.000 1.273 181 L HN 0.827 nan 8.230 nan 0.000 0.405 182 T N 2.717 117.275 114.554 0.007 0.000 2.838 182 T HA 0.837 5.187 4.350 0.001 0.000 0.292 182 T C -0.418 174.316 174.700 0.057 0.000 1.113 182 T CA -0.566 61.561 62.100 0.045 0.000 1.008 182 T CB 1.588 70.500 68.868 0.072 0.000 1.259 182 T HN 0.886 nan 8.240 nan 0.000 0.520 183 I N -1.958 118.671 120.570 0.099 0.000 2.994 183 I HA 0.886 5.056 4.170 0.001 0.000 0.306 183 I C -0.918 175.300 176.117 0.169 0.000 1.195 183 I CA -1.860 59.530 61.300 0.149 0.000 1.001 183 I CB 1.896 40.011 38.000 0.193 0.000 1.244 183 I HN 0.950 nan 8.210 nan 0.000 0.437 184 A N 2.728 125.668 122.820 0.200 0.000 2.260 184 A HA 0.811 5.132 4.320 0.001 0.000 0.308 184 A C 0.096 177.801 177.584 0.201 0.000 1.254 184 A CA -0.108 52.053 52.037 0.206 0.000 0.874 184 A CB 0.408 19.546 19.000 0.230 0.000 1.153 184 A HN 1.104 nan 8.150 nan 0.000 0.527 185 G N 0.675 109.606 108.800 0.218 0.000 2.454 185 G HA2 0.641 4.602 3.960 0.001 0.000 0.329 185 G HA3 0.641 4.602 3.960 0.001 0.000 0.329 185 G C 0.188 175.297 174.900 0.349 0.000 1.177 185 G CA -0.084 45.211 45.100 0.325 0.000 0.951 185 G HN 1.399 nan 8.290 nan 0.000 0.485 186 A N -0.490 122.594 122.820 0.441 0.000 2.531 186 A HA 0.492 4.812 4.320 0.001 0.000 0.236 186 A C 1.380 179.045 177.584 0.136 0.000 1.062 186 A CA 0.658 52.792 52.037 0.163 0.000 0.760 186 A CB 0.382 19.267 19.000 -0.191 0.000 0.995 186 A HN 1.494 nan 8.150 nan 0.000 0.501 187 G N 1.172 110.001 108.800 0.048 0.000 3.277 187 G HA2 0.473 4.433 3.960 0.001 0.000 0.243 187 G HA3 0.473 4.433 3.960 0.001 0.000 0.243 187 G C 0.426 175.340 174.900 0.023 0.000 1.107 187 G CA 0.612 45.716 45.100 0.007 0.000 0.771 187 G HN 1.263 nan 8.290 nan 0.000 0.544 188 G N -1.465 107.357 108.800 0.037 0.000 2.620 188 G HA2 0.534 4.495 3.960 0.001 0.000 0.301 188 G HA3 0.534 4.495 3.960 0.001 0.000 0.301 188 G C 0.715 175.578 174.900 -0.062 0.000 1.347 188 G CA 0.294 45.413 45.100 0.031 0.000 0.971 188 G HN 0.295 nan 8.290 nan 0.000 0.488 189 A N 0.855 123.578 122.820 -0.162 0.000 2.024 189 A HA 0.073 4.393 4.320 0.001 0.000 0.220 189 A C 1.875 179.196 177.584 -0.438 0.000 1.164 189 A CA 1.504 53.305 52.037 -0.393 0.000 0.643 189 A CB -0.510 18.194 19.000 -0.494 0.000 0.806 189 A HN 0.583 nan 8.150 nan 0.000 0.451 190 F N -1.318 118.514 119.950 -0.196 0.000 2.075 190 F HA -0.091 4.436 4.527 0.001 0.000 0.297 190 F C 2.036 177.595 175.800 -0.401 0.000 1.113 190 F CA 1.527 59.339 58.000 -0.313 0.000 1.218 190 F CB -0.861 37.906 39.000 -0.388 0.000 0.984 190 F HN 0.220 nan 8.300 nan 0.000 0.472 191 F N -0.736 119.144 119.950 -0.117 0.000 2.259 191 F HA -0.072 4.455 4.527 0.000 0.000 0.298 191 F C 2.186 177.660 175.800 -0.544 0.000 1.088 191 F CA 0.510 58.279 58.000 -0.385 0.000 1.358 191 F CB -0.980 37.579 39.000 -0.734 0.000 1.040 191 F HN -0.108 nan 8.300 nan 0.000 0.505 192 L N 0.422 121.435 121.223 -0.350 0.000 2.127 192 L HA -0.201 4.140 4.340 0.001 0.000 0.211 192 L C 2.568 179.048 176.870 -0.650 0.000 1.089 192 L CA 2.015 56.496 54.840 -0.598 0.000 0.757 192 L CB -1.163 40.649 42.059 -0.412 0.000 0.899 192 L HN 0.199 nan 8.230 nan 0.000 0.434 193 S N -0.962 114.455 115.700 -0.472 0.000 2.440 193 S HA -0.246 4.225 4.470 0.001 0.000 0.238 193 S C 2.065 176.494 174.600 -0.284 0.000 1.010 193 S CA 1.041 59.004 58.200 -0.395 0.000 0.972 193 S CB -0.670 62.322 63.200 -0.347 0.000 0.774 193 S HN 0.577 nan 8.310 nan 0.000 0.501 194 R N 0.287 120.623 120.500 -0.273 0.000 2.081 194 R HA -0.082 4.258 4.340 0.001 0.000 0.235 194 R C 1.737 178.004 176.300 -0.056 0.000 1.131 194 R CA 1.904 57.932 56.100 -0.120 0.000 0.960 194 R CB -0.361 29.939 30.300 0.000 0.000 0.856 194 R HN 0.909 nan 8.270 nan 0.000 0.436 195 Y N -5.078 115.189 120.300 -0.055 0.000 2.563 195 Y HA 0.228 4.778 4.550 0.000 0.000 0.250 195 Y C 1.354 177.252 175.900 -0.004 0.000 1.126 195 Y CA -1.257 56.820 58.100 -0.037 0.000 1.231 195 Y CB -0.712 37.718 38.460 -0.050 0.000 1.288 195 Y HN -0.117 nan 8.280 nan 0.000 0.537 196 Y N 2.810 122.871 120.300 -0.398 0.000 2.139 196 Y HA -0.344 4.206 4.550 0.000 0.000 0.282 196 Y C 2.718 178.535 175.900 -0.138 0.000 1.179 196 Y CA 2.580 60.495 58.100 -0.309 0.000 1.161 196 Y CB -0.503 37.711 38.460 -0.410 0.000 0.970 196 Y HN 0.368 nan 8.280 nan 0.000 0.511 197 S N -0.649 114.982 115.700 -0.116 0.000 2.440 197 S HA -0.185 4.285 4.470 0.001 0.000 0.238 197 S C 1.354 175.878 174.600 -0.128 0.000 1.010 197 S CA 1.491 59.586 58.200 -0.175 0.000 0.972 197 S CB -0.413 62.714 63.200 -0.120 0.000 0.774 197 S HN 0.575 nan 8.310 nan 0.000 0.501 198 K N 0.429 120.802 120.400 -0.046 0.000 2.593 198 K HA 0.426 4.746 4.320 0.001 0.000 0.208 198 K C 0.948 177.566 176.600 0.030 0.000 1.051 198 K CA -0.216 56.074 56.287 0.005 0.000 1.111 198 K CB 0.122 32.652 32.500 0.051 0.000 0.849 198 K HN 0.253 nan 8.250 nan 0.000 0.479 199 L N 0.763 121.969 121.223 -0.028 0.000 2.043 199 L HA -0.265 4.075 4.340 0.001 0.000 0.212 199 L C 2.396 179.287 176.870 0.034 0.000 1.075 199 L CA 1.593 56.450 54.840 0.029 0.000 0.752 199 L CB -0.353 41.648 42.059 -0.096 0.000 0.891 199 L HN 0.362 nan 8.230 nan 0.000 0.432 200 A N -0.884 121.934 122.820 -0.003 0.000 1.933 200 A HA -0.256 4.064 4.320 0.001 0.000 0.218 200 A C 2.122 179.715 177.584 0.015 0.000 1.175 200 A CA 1.529 53.574 52.037 0.013 0.000 0.628 200 A CB -0.385 18.619 19.000 0.008 0.000 0.814 200 A HN 0.513 nan 8.150 nan 0.000 0.444 201 Q N -0.795 119.013 119.800 0.013 0.000 2.172 201 Q HA 0.017 4.357 4.340 0.001 0.000 0.200 201 Q C 1.928 177.923 176.000 -0.008 0.000 0.964 201 Q CA 1.104 56.910 55.803 0.005 0.000 0.855 201 Q CB -0.188 28.557 28.738 0.011 0.000 0.918 201 Q HN 0.744 nan 8.270 nan 0.000 0.444 202 I N -0.311 120.267 120.570 0.013 0.000 2.286 202 I HA -0.209 3.961 4.170 0.001 0.000 0.245 202 I C 1.939 178.045 176.117 -0.018 0.000 1.104 202 I CA 0.785 62.077 61.300 -0.013 0.000 1.397 202 I CB 0.037 38.078 38.000 0.069 0.000 1.072 202 I HN 0.019 nan 8.210 nan 0.000 0.417 203 V N 0.781 120.710 119.914 0.026 0.000 2.719 203 V HA -0.107 4.013 4.120 0.001 0.000 0.252 203 V C 2.639 178.729 176.094 -0.006 0.000 1.065 203 V CA 1.294 63.610 62.300 0.027 0.000 1.086 203 V CB -0.678 31.187 31.823 0.069 0.000 0.700 203 V HN 0.428 nan 8.190 nan 0.000 0.467 204 A N 1.584 124.397 122.820 -0.012 0.000 1.903 204 A HA -0.164 4.156 4.320 0.001 0.000 0.219 204 A C 0.697 178.258 177.584 -0.038 0.000 1.191 204 A CA 2.342 54.365 52.037 -0.022 0.000 0.638 204 A CB -1.805 17.185 19.000 -0.017 0.000 0.823 204 A HN 0.603 nan 8.150 nan 0.000 0.451 205 P HA 0.167 nan 4.420 nan 0.000 0.249 205 P C -0.024 177.240 177.300 -0.061 0.000 1.229 205 P CA 0.374 63.440 63.100 -0.057 0.000 0.788 205 P CB -0.065 31.592 31.700 -0.072 0.000 1.072 206 L N -0.019 121.167 121.223 -0.061 0.000 2.343 206 L HA 0.313 4.653 4.340 0.001 0.000 0.275 206 L C 1.408 178.206 176.870 -0.119 0.000 1.056 206 L CA -0.656 54.145 54.840 -0.065 0.000 0.804 206 L CB 0.969 43.008 42.059 -0.032 0.000 1.203 206 L HN -0.270 nan 8.230 nan 0.000 0.440 207 D N 0.445 120.747 120.400 -0.164 0.000 2.162 207 D HA -0.010 4.631 4.640 0.001 0.000 0.203 207 D C -0.560 175.319 176.300 -0.702 0.000 0.967 207 D CA 1.708 55.465 54.000 -0.404 0.000 0.840 207 D CB 0.400 40.994 40.800 -0.344 0.000 0.972 207 D HN 0.300 nan 8.370 nan 0.000 0.482 208 Y N -0.862 119.427 120.300 -0.020 0.000 2.581 208 Y HA 0.405 4.955 4.550 0.000 0.000 0.337 208 Y C -0.691 175.205 175.900 -0.006 0.000 1.108 208 Y CA -0.954 57.131 58.100 -0.025 0.000 1.033 208 Y CB 1.971 40.388 38.460 -0.071 0.000 1.318 208 Y HN -0.291 nan 8.280 nan 0.000 0.459 209 I N 3.092 123.772 120.570 0.183 0.000 2.382 209 I HA 0.472 4.642 4.170 0.001 0.000 0.286 209 I C -1.305 174.877 176.117 0.107 0.000 1.002 209 I CA -0.630 60.750 61.300 0.135 0.000 1.135 209 I CB 0.582 38.662 38.000 0.133 0.000 1.288 209 I HN 0.580 nan 8.210 nan 0.000 0.448 210 N N 8.800 127.564 118.700 0.107 0.000 2.437 210 N HA 0.334 5.074 4.740 0.001 0.000 0.243 210 N C -0.743 174.816 175.510 0.081 0.000 1.041 210 N CA -0.237 52.864 53.050 0.085 0.000 0.940 210 N CB 1.437 39.990 38.487 0.111 0.000 1.133 210 N HN 0.576 nan 8.380 nan 0.000 0.506 211 L N 2.058 123.290 121.223 0.016 0.000 2.410 211 L HA 0.237 4.578 4.340 0.001 0.000 0.273 211 L C 1.115 177.928 176.870 -0.094 0.000 1.144 211 L CA 0.011 54.831 54.840 -0.034 0.000 0.863 211 L CB 0.365 42.356 42.059 -0.112 0.000 1.140 211 L HN 0.344 nan 8.230 nan 0.000 0.463 212 M N 3.237 122.740 119.600 -0.161 0.000 3.706 212 M HA 0.055 4.535 4.480 0.001 0.000 0.204 212 M C 0.330 176.185 176.300 -0.742 0.000 1.455 212 M CA -0.147 54.810 55.300 -0.571 0.000 1.659 212 M CB -0.502 31.920 32.600 -0.297 0.000 1.076 212 M HN 0.548 nan 8.290 nan 0.000 0.577 213 T N -0.003 114.220 114.554 -0.553 0.000 4.313 213 T HA 0.295 4.645 4.350 0.001 0.000 0.272 213 T C -0.568 174.055 174.700 -0.127 0.000 1.298 213 T CA -0.251 61.696 62.100 -0.255 0.000 1.124 213 T CB -1.098 67.720 68.868 -0.083 0.000 1.352 213 T HN 0.505 nan 8.240 nan 0.000 1.013 214 Y N -2.892 117.484 120.300 0.126 0.000 2.788 214 Y HA 0.539 5.089 4.550 0.000 0.000 0.335 214 Y C -0.320 175.693 175.900 0.189 0.000 1.287 214 Y CA -1.989 56.197 58.100 0.143 0.000 1.068 214 Y CB -0.113 38.437 38.460 0.149 0.000 1.340 214 Y HN 0.131 nan 8.280 nan 0.000 0.449 215 D N -0.044 120.663 120.400 0.512 0.000 2.945 215 D HA -0.155 4.485 4.640 0.001 0.000 0.225 215 D C 0.302 176.854 176.300 0.420 0.000 1.158 215 D CA 1.243 55.548 54.000 0.509 0.000 0.805 215 D CB -1.020 40.051 40.800 0.452 0.000 1.098 215 D HN 0.718 nan 8.370 nan 0.000 0.426 216 L N -1.579 119.805 121.223 0.268 0.000 2.591 216 L HA 0.383 4.723 4.340 0.001 0.000 0.228 216 L C 1.098 178.023 176.870 0.092 0.000 1.133 216 L CA 0.636 55.561 54.840 0.141 0.000 0.880 216 L CB 0.001 42.095 42.059 0.058 0.000 1.033 216 L HN 0.205 nan 8.230 nan 0.000 0.450 217 A N -0.655 122.245 122.820 0.133 0.000 2.606 217 A HA 0.862 5.183 4.320 0.001 0.000 0.293 217 A C -0.460 176.976 177.584 -0.246 0.000 1.082 217 A CA 0.036 52.082 52.037 0.015 0.000 0.685 217 A CB 1.697 20.771 19.000 0.124 0.000 1.284 217 A HN 0.077 nan 8.150 nan 0.000 0.408 218 G N -0.795 107.666 108.800 -0.565 0.000 2.316 218 G HA2 0.488 4.448 3.960 0.001 0.000 0.296 218 G HA3 0.488 4.448 3.960 0.001 0.000 0.296 218 G C -2.971 171.317 174.900 -1.021 0.000 1.399 218 G CA -0.094 44.267 45.100 -1.232 0.000 0.833 218 G HN 0.344 nan 8.290 nan 0.000 0.565 219 P HA -0.043 nan 4.420 nan 0.000 0.221 219 P C 1.387 178.732 177.300 0.076 0.000 1.145 219 P CA 1.703 64.606 63.100 -0.330 0.000 0.795 219 P CB -0.044 31.554 31.700 -0.170 0.000 0.775 220 W N -1.035 120.341 121.300 0.126 0.000 2.825 220 W HA 0.167 4.827 4.660 0.000 0.000 0.243 220 W C 0.123 176.733 176.519 0.152 0.000 1.293 220 W CA 0.041 57.456 57.345 0.117 0.000 1.403 220 W CB -0.763 28.727 29.460 0.050 0.000 1.134 220 W HN -0.190 nan 8.180 nan 0.000 0.666 221 E N 1.698 121.849 120.200 -0.080 0.000 2.202 221 E HA 0.078 4.428 4.350 0.001 0.000 0.272 221 E C 1.133 177.866 176.600 0.221 0.000 0.951 221 E CA -0.456 55.987 56.400 0.072 0.000 0.813 221 E CB 1.713 31.424 29.700 0.019 0.000 1.151 221 E HN 0.280 nan 8.360 nan 0.000 0.398 222 K N 0.013 120.495 120.400 0.138 0.000 2.288 222 K HA 0.041 4.362 4.320 0.001 0.000 0.201 222 K C 0.389 177.053 176.600 0.106 0.000 1.048 222 K CA 0.633 56.967 56.287 0.078 0.000 0.956 222 K CB 0.239 32.732 32.500 -0.012 0.000 0.746 222 K HN 0.084 nan 8.250 nan 0.000 0.461 223 V N 2.939 122.905 119.914 0.086 0.000 2.459 223 V HA 0.137 4.257 4.120 0.001 0.000 0.295 223 V C 0.045 176.080 176.094 -0.099 0.000 1.029 223 V CA -0.944 61.358 62.300 0.003 0.000 0.874 223 V CB 1.446 33.231 31.823 -0.064 0.000 0.985 223 V HN 0.413 nan 8.190 nan 0.000 0.438 224 T N 1.915 116.262 114.554 -0.345 0.000 2.926 224 T HA 0.426 4.777 4.350 0.001 0.000 0.307 224 T C -0.201 174.138 174.700 -0.602 0.000 1.059 224 T CA -0.141 61.406 62.100 -0.921 0.000 1.122 224 T CB 0.942 68.953 68.868 -1.428 0.000 0.972 224 T HN 0.763 nan 8.240 nan 0.000 0.545 225 N N -0.725 117.683 118.700 -0.488 0.000 3.185 225 N HA 0.169 4.909 4.740 0.001 0.000 0.238 225 N C -1.750 173.712 175.510 -0.080 0.000 1.451 225 N CA -0.730 52.215 53.050 -0.175 0.000 0.888 225 N CB 0.971 39.498 38.487 0.066 0.000 1.413 225 N HN 0.715 nan 8.380 nan 0.000 0.511 226 H N 1.210 120.379 119.070 0.166 0.000 2.764 226 H HA 0.088 4.644 4.556 0.001 0.000 0.341 226 H C 0.398 175.802 175.328 0.127 0.000 1.072 226 H CA 0.318 56.450 56.048 0.140 0.000 1.444 226 H CB 1.199 30.989 29.762 0.046 0.000 1.458 226 H HN 0.581 nan 8.280 nan 0.000 0.572 227 Q N 1.828 121.760 119.800 0.221 0.000 2.432 227 Q HA 0.195 4.536 4.340 0.001 0.000 0.205 227 Q C 0.380 176.490 176.000 0.184 0.000 0.945 227 Q CA 0.793 56.717 55.803 0.202 0.000 0.924 227 Q CB 0.726 29.600 28.738 0.226 0.000 1.016 227 Q HN 0.508 nan 8.270 nan 0.000 0.503 228 A N 0.481 123.394 122.820 0.155 0.000 3.106 228 A HA 0.675 4.995 4.320 0.001 0.000 0.227 228 A C -0.087 177.516 177.584 0.030 0.000 0.920 228 A CA -0.249 51.855 52.037 0.112 0.000 1.088 228 A CB 0.170 19.266 19.000 0.159 0.000 1.233 228 A HN 0.366 nan 8.150 nan 0.000 0.503 229 A N 0.039 122.873 122.820 0.023 0.000 2.540 229 A HA 0.400 4.721 4.320 0.001 0.000 0.239 229 A C 1.188 178.681 177.584 -0.152 0.000 1.061 229 A CA 0.206 52.195 52.037 -0.080 0.000 0.758 229 A CB 0.090 19.075 19.000 -0.025 0.000 0.991 229 A HN 1.333 nan 8.150 nan 0.000 0.502 230 L N 2.825 123.885 121.223 -0.272 0.000 2.023 230 L HA 0.248 4.589 4.340 0.001 0.000 0.205 230 L C 0.132 176.622 176.870 -0.634 0.000 1.073 230 L CA 1.763 56.284 54.840 -0.532 0.000 0.745 230 L CB -0.510 41.140 42.059 -0.681 0.000 0.900 230 L HN 0.605 nan 8.230 nan 0.000 0.435 231 F N -1.205 118.690 119.950 -0.092 0.000 2.618 231 F HA 0.655 5.182 4.527 0.000 0.000 0.332 231 F C 0.922 176.701 175.800 -0.034 0.000 1.061 231 F CA -0.849 57.130 58.000 -0.034 0.000 0.974 231 F CB 0.490 39.481 39.000 -0.014 0.000 1.310 231 F HN -0.102 nan 8.300 nan 0.000 0.491 232 G N -0.338 108.596 108.800 0.225 0.000 2.476 232 G HA2 0.415 4.375 3.960 0.001 0.000 0.286 232 G HA3 0.415 4.375 3.960 0.001 0.000 0.286 232 G C -1.717 173.217 174.900 0.058 0.000 1.177 232 G CA -0.209 44.955 45.100 0.106 0.000 0.870 232 G HN 0.507 nan 8.290 nan 0.000 0.528 233 D N 0.429 120.836 120.400 0.012 0.000 2.425 233 D HA 0.454 5.094 4.640 0.001 0.000 0.240 233 D C 1.092 177.343 176.300 -0.082 0.000 1.080 233 D CA -0.217 53.776 54.000 -0.011 0.000 0.836 233 D CB 1.582 42.411 40.800 0.049 0.000 1.125 233 D HN 0.306 nan 8.370 nan 0.000 0.525 234 A N 3.451 126.236 122.820 -0.060 0.000 2.076 234 A HA -0.015 4.305 4.320 0.001 0.000 0.220 234 A C 1.906 179.405 177.584 -0.143 0.000 1.160 234 A CA 1.770 53.757 52.037 -0.083 0.000 0.653 234 A CB -0.315 18.656 19.000 -0.047 0.000 0.801 234 A HN 0.608 nan 8.150 nan 0.000 0.455 235 A N -0.509 122.219 122.820 -0.154 0.000 2.119 235 A HA 0.417 4.737 4.320 0.001 0.000 0.216 235 A C 1.472 178.700 177.584 -0.593 0.000 1.152 235 A CA 0.914 52.830 52.037 -0.202 0.000 0.708 235 A CB -0.730 18.263 19.000 -0.011 0.000 0.805 235 A HN 0.680 nan 8.150 nan 0.000 0.460 236 G N 0.085 108.360 108.800 -0.873 0.000 2.547 236 G HA2 0.484 4.444 3.960 0.001 0.000 0.291 236 G HA3 0.484 4.444 3.960 0.001 0.000 0.291 236 G C -2.419 172.108 174.900 -0.623 0.000 1.211 236 G CA -1.303 42.955 45.100 -1.404 0.000 0.950 236 G HN 0.186 nan 8.290 nan 0.000 0.504 237 P HA 0.204 nan 4.420 nan 0.000 0.272 237 P C -0.078 177.058 177.300 -0.272 0.000 1.223 237 P CA 0.067 62.968 63.100 -0.332 0.000 0.784 237 P CB 1.017 32.537 31.700 -0.299 0.000 0.923 238 T N -1.271 113.066 114.554 -0.361 0.000 2.930 238 T HA 0.748 5.099 4.350 0.001 0.000 0.290 238 T C -0.663 173.750 174.700 -0.478 0.000 1.052 238 T CA -0.545 61.410 62.100 -0.240 0.000 1.017 238 T CB 0.964 69.760 68.868 -0.121 0.000 1.137 238 T HN 0.184 nan 8.240 nan 0.000 0.511 239 F N -0.332 119.556 119.950 -0.104 0.000 2.603 239 F HA 0.517 5.044 4.527 0.000 0.000 0.317 239 F C -0.445 175.508 175.800 0.256 0.000 1.066 239 F CA -1.506 56.542 58.000 0.079 0.000 0.941 239 F CB 1.386 40.419 39.000 0.055 0.000 1.291 239 F HN 0.729 nan 8.300 nan 0.000 0.472 240 Y N 2.331 122.868 120.300 0.394 0.000 2.511 240 Y HA 0.139 4.690 4.550 0.001 0.000 0.332 240 Y C 0.272 176.293 175.900 0.201 0.000 1.177 240 Y CA -0.340 57.923 58.100 0.271 0.000 1.422 240 Y CB 0.308 38.932 38.460 0.275 0.000 1.271 240 Y HN 0.469 nan 8.280 nan 0.000 0.550 241 N N 5.035 123.776 118.700 0.068 0.000 2.521 241 N HA 0.166 4.907 4.740 0.001 0.000 0.236 241 N C 0.388 175.764 175.510 -0.223 0.000 1.067 241 N CA 0.544 53.502 53.050 -0.153 0.000 0.939 241 N CB 0.974 39.246 38.487 -0.358 0.000 1.201 241 N HN 0.889 nan 8.380 nan 0.000 0.511 242 A N 4.320 126.994 122.820 -0.242 0.000 2.125 242 A HA -0.077 4.244 4.320 0.001 0.000 0.219 242 A C 2.012 179.333 177.584 -0.438 0.000 1.156 242 A CA 0.799 52.715 52.037 -0.202 0.000 0.671 242 A CB -0.275 18.526 19.000 -0.333 0.000 0.794 242 A HN 0.749 nan 8.150 nan 0.000 0.459 243 L N -0.223 120.523 121.223 -0.795 0.000 2.275 243 L HA -0.174 4.166 4.340 0.001 0.000 0.215 243 L C 2.618 178.782 176.870 -1.177 0.000 1.119 243 L CA 1.307 55.416 54.840 -1.219 0.000 0.790 243 L CB -0.552 40.310 42.059 -1.994 0.000 0.919 243 L HN 0.586 nan 8.230 nan 0.000 0.443 244 R N -0.202 119.831 120.500 -0.778 0.000 2.285 244 R HA -0.093 4.248 4.340 0.001 0.000 0.213 244 R C 0.904 177.098 176.300 -0.177 0.000 1.068 244 R CA 0.837 56.759 56.100 -0.296 0.000 1.004 244 R CB -0.196 30.006 30.300 -0.164 0.000 0.873 244 R HN 0.318 nan 8.270 nan 0.000 0.467 245 E N 0.836 120.915 120.200 -0.202 0.000 2.498 245 E HA 0.227 4.577 4.350 0.001 0.000 0.203 245 E C 0.096 176.610 176.600 -0.144 0.000 1.013 245 E CA 0.158 56.496 56.400 -0.103 0.000 0.927 245 E CB 1.047 30.732 29.700 -0.026 0.000 1.012 245 E HN 0.397 nan 8.360 nan 0.000 0.482 246 A N 1.869 124.548 122.820 -0.235 0.000 2.407 246 A HA 0.113 4.433 4.320 0.001 0.000 0.248 246 A C 0.528 178.009 177.584 -0.172 0.000 1.082 246 A CA -0.368 51.547 52.037 -0.204 0.000 0.785 246 A CB 0.071 18.930 19.000 -0.235 0.000 1.020 246 A HN -0.030 nan 8.150 nan 0.000 0.489 247 N N 1.923 120.546 118.700 -0.128 0.000 2.744 247 N HA 0.149 4.890 4.740 0.001 0.000 0.290 247 N C 0.298 175.711 175.510 -0.162 0.000 1.206 247 N CA 0.202 53.188 53.050 -0.108 0.000 1.119 247 N CB -0.504 37.947 38.487 -0.060 0.000 1.449 247 N HN 0.608 nan 8.380 nan 0.000 0.514 248 L N 0.649 121.710 121.223 -0.270 0.000 2.470 248 L HA 0.304 4.645 4.340 0.001 0.000 0.219 248 L C 1.499 178.190 176.870 -0.300 0.000 1.071 248 L CA 0.345 54.892 54.840 -0.488 0.000 0.850 248 L CB -0.041 41.320 42.059 -1.164 0.000 1.040 248 L HN 0.554 nan 8.230 nan 0.000 0.475 249 G N -0.856 107.881 108.800 -0.104 0.000 2.147 249 G HA2 -0.227 3.733 3.960 0.001 0.000 0.244 249 G HA3 -0.227 3.733 3.960 0.001 0.000 0.244 249 G C -0.336 174.734 174.900 0.283 0.000 1.005 249 G CA -0.345 44.805 45.100 0.084 0.000 0.713 249 G HN 0.093 nan 8.290 nan 0.000 0.515 250 W N 1.040 122.383 121.300 0.072 0.000 2.359 250 W HA 0.733 5.393 4.660 0.001 0.000 0.344 250 W C 1.134 177.702 176.519 0.082 0.000 1.170 250 W CA -0.956 56.426 57.345 0.061 0.000 1.296 250 W CB 0.776 30.264 29.460 0.046 0.000 1.197 250 W HN 0.536 nan 8.180 nan 0.000 0.618 251 S N 0.193 116.081 115.700 0.314 0.000 2.624 251 S HA 0.018 4.488 4.470 0.001 0.000 0.263 251 S C 0.677 175.454 174.600 0.295 0.000 1.287 251 S CA -0.404 57.958 58.200 0.270 0.000 0.990 251 S CB 0.759 64.096 63.200 0.228 0.000 0.950 251 S HN 0.606 nan 8.310 nan 0.000 0.561 252 W N 1.231 122.608 121.300 0.127 0.000 2.338 252 W HA -0.110 4.551 4.660 0.000 0.000 0.304 252 W C 2.122 178.692 176.519 0.086 0.000 1.212 252 W CA 1.835 59.244 57.345 0.106 0.000 1.264 252 W CB -0.149 29.360 29.460 0.083 0.000 1.142 252 W HN 0.787 nan 8.180 nan 0.000 0.512 253 E N 0.334 120.807 120.200 0.455 0.000 2.077 253 E HA -0.225 4.125 4.350 0.001 0.000 0.193 253 E C 1.868 178.469 176.600 0.002 0.000 0.989 253 E CA 1.835 58.397 56.400 0.270 0.000 0.800 253 E CB -0.608 29.244 29.700 0.254 0.000 0.746 253 E HN 0.571 nan 8.360 nan 0.000 0.452 254 E N 0.645 120.851 120.200 0.010 0.000 2.051 254 E HA -0.126 4.224 4.350 0.001 0.000 0.192 254 E C 2.376 178.923 176.600 -0.087 0.000 0.991 254 E CA 0.669 56.999 56.400 -0.117 0.000 0.799 254 E CB -0.119 29.492 29.700 -0.148 0.000 0.748 254 E HN 0.178 nan 8.360 nan 0.000 0.449 255 L N 0.597 121.855 121.223 0.057 0.000 2.046 255 L HA -0.177 4.164 4.340 0.001 0.000 0.208 255 L C 2.590 179.357 176.870 -0.172 0.000 1.077 255 L CA 1.231 56.125 54.840 0.091 0.000 0.747 255 L CB -0.582 41.532 42.059 0.093 0.000 0.896 255 L HN 0.167 nan 8.230 nan 0.000 0.432 256 T N -0.985 113.330 114.554 -0.398 0.000 2.746 256 T HA -0.211 4.139 4.350 0.001 0.000 0.267 256 T C 2.032 176.544 174.700 -0.313 0.000 1.039 256 T CA 1.220 63.027 62.100 -0.488 0.000 1.142 256 T CB -0.180 68.165 68.868 -0.872 0.000 0.866 256 T HN 0.254 nan 8.240 nan 0.000 0.444 257 R N 0.646 120.982 120.500 -0.275 0.000 2.092 257 R HA 0.056 4.396 4.340 0.001 0.000 0.231 257 R C 2.456 178.566 176.300 -0.318 0.000 1.119 257 R CA 1.201 57.154 56.100 -0.245 0.000 0.970 257 R CB -0.264 29.910 30.300 -0.210 0.000 0.864 257 R HN 0.368 nan 8.270 nan 0.000 0.440 258 A N 0.053 122.601 122.820 -0.454 0.000 1.935 258 A HA 0.037 4.357 4.320 0.001 0.000 0.214 258 A C 0.235 177.413 177.584 -0.677 0.000 1.178 258 A CA 0.555 52.188 52.037 -0.674 0.000 0.640 258 A CB 0.189 18.571 19.000 -1.030 0.000 0.825 258 A HN 0.251 nan 8.150 nan 0.000 0.447 259 F N 1.086 120.979 119.950 -0.095 0.000 2.449 259 F HA 0.330 4.858 4.527 0.001 0.000 0.344 259 F C -2.536 173.117 175.800 -0.245 0.000 1.180 259 F CA -3.797 54.101 58.000 -0.170 0.000 1.209 259 F CB 0.477 39.355 39.000 -0.203 0.000 1.440 259 F HN -0.005 nan 8.300 nan 0.000 0.526 260 P HA 0.066 nan 4.420 nan 0.000 0.266 260 P C -0.135 177.142 177.300 -0.038 0.000 1.195 260 P CA 0.346 63.367 63.100 -0.130 0.000 0.768 260 P CB 1.777 33.366 31.700 -0.184 0.000 0.838 261 S N 2.253 117.937 115.700 -0.027 0.000 2.562 261 S HA 0.500 4.970 4.470 0.001 0.000 0.274 261 S C -2.752 171.852 174.600 0.006 0.000 1.160 261 S CA -1.112 57.098 58.200 0.018 0.000 0.933 261 S CB 0.730 63.848 63.200 -0.138 0.000 1.100 261 S HN 0.332 nan 8.310 nan 0.000 0.468 262 P HA 0.462 nan 4.420 nan 0.000 0.272 262 P C -0.860 176.592 177.300 0.254 0.000 1.230 262 P CA -0.213 62.978 63.100 0.152 0.000 0.788 262 P CB 0.174 31.913 31.700 0.065 0.000 0.949 263 F N -1.947 118.059 119.950 0.093 0.000 2.675 263 F HA 0.617 5.144 4.527 0.000 0.000 0.324 263 F C -0.797 175.117 175.800 0.190 0.000 1.106 263 F CA -1.518 56.558 58.000 0.126 0.000 0.970 263 F CB 0.543 39.652 39.000 0.181 0.000 1.385 263 F HN 0.120 nan 8.300 nan 0.000 0.489 264 S N 2.012 117.659 115.700 -0.088 0.000 2.430 264 S HA 0.402 4.872 4.470 0.001 0.000 0.289 264 S C -0.566 173.839 174.600 -0.325 0.000 1.143 264 S CA -0.409 57.700 58.200 -0.151 0.000 1.067 264 S CB 0.675 63.899 63.200 0.040 0.000 0.964 264 S HN 0.635 nan 8.310 nan 0.000 0.485 265 L N 6.085 127.054 121.223 -0.424 0.000 2.454 265 L HA 0.289 4.629 4.340 0.001 0.000 0.284 265 L C 0.553 177.364 176.870 -0.097 0.000 1.139 265 L CA 0.585 55.208 54.840 -0.363 0.000 0.911 265 L CB -0.878 40.868 42.059 -0.523 0.000 1.262 265 L HN 0.793 nan 8.230 nan 0.000 0.453 266 T N -0.113 114.441 114.554 -0.000 0.000 2.864 266 T HA 0.435 4.785 4.350 0.001 0.000 0.289 266 T C 1.107 175.793 174.700 -0.022 0.000 1.082 266 T CA -0.480 61.620 62.100 -0.001 0.000 1.009 266 T CB 1.067 69.950 68.868 0.025 0.000 1.234 266 T HN -0.027 nan 8.240 nan 0.000 0.526 267 V N 0.818 120.676 119.914 -0.093 0.000 2.295 267 V HA -0.106 4.015 4.120 0.001 0.000 0.246 267 V C 2.537 178.543 176.094 -0.146 0.000 1.049 267 V CA 2.505 64.729 62.300 -0.128 0.000 1.024 267 V CB -1.058 30.644 31.823 -0.201 0.000 0.648 267 V HN 1.105 nan 8.190 nan 0.000 0.447 268 D N 0.426 120.685 120.400 -0.235 0.000 2.149 268 D HA -0.171 4.469 4.640 0.001 0.000 0.198 268 D C 2.071 178.442 176.300 0.118 0.000 0.990 268 D CA 1.546 55.504 54.000 -0.071 0.000 0.839 268 D CB -0.144 40.679 40.800 0.038 0.000 0.948 268 D HN 0.376 nan 8.370 nan 0.000 0.460 269 A N 0.515 123.387 122.820 0.086 0.000 1.877 269 A HA 0.021 4.341 4.320 0.001 0.000 0.216 269 A C 2.433 179.901 177.584 -0.193 0.000 1.186 269 A CA 2.287 54.279 52.037 -0.075 0.000 0.620 269 A CB -1.224 17.879 19.000 0.171 0.000 0.822 269 A HN 0.360 nan 8.150 nan 0.000 0.443 270 A N -0.667 122.136 122.820 -0.029 0.000 1.902 270 A HA 0.005 4.325 4.320 0.001 0.000 0.217 270 A C 2.244 179.932 177.584 0.173 0.000 1.181 270 A CA 1.809 53.877 52.037 0.051 0.000 0.623 270 A CB -0.954 18.080 19.000 0.057 0.000 0.818 270 A HN 0.397 nan 8.150 nan 0.000 0.443 271 V N 0.078 120.071 119.914 0.131 0.000 2.343 271 V HA -0.248 3.872 4.120 0.001 0.000 0.247 271 V C 2.707 178.940 176.094 0.232 0.000 1.051 271 V CA 2.018 64.435 62.300 0.195 0.000 1.036 271 V CB -0.726 31.275 31.823 0.297 0.000 0.654 271 V HN 0.542 nan 8.190 nan 0.000 0.451 272 Q N -0.315 119.602 119.800 0.195 0.000 2.167 272 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 272 Q C 2.235 178.333 176.000 0.164 0.000 0.970 272 Q CA 1.427 57.354 55.803 0.206 0.000 0.855 272 Q CB -0.352 28.567 28.738 0.301 0.000 0.911 272 Q HN 0.709 nan 8.270 nan 0.000 0.438 273 Q N -0.626 119.181 119.800 0.012 0.000 2.124 273 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 273 Q C 1.797 177.958 176.000 0.269 0.000 0.977 273 Q CA 1.235 57.071 55.803 0.054 0.000 0.850 273 Q CB -0.130 28.476 28.738 -0.220 0.000 0.901 273 Q HN 0.541 nan 8.270 nan 0.000 0.429 274 H N 0.011 119.201 119.070 0.200 0.000 2.357 274 H HA -0.039 4.517 4.556 0.001 0.000 0.301 274 H C 1.775 177.199 175.328 0.160 0.000 1.082 274 H CA 1.146 57.317 56.048 0.205 0.000 1.342 274 H CB 0.015 29.871 29.762 0.156 0.000 1.389 274 H HN 0.113 nan 8.280 nan 0.000 0.511 275 L N -0.278 121.106 121.223 0.268 0.000 2.275 275 L HA -0.119 4.221 4.340 0.001 0.000 0.215 275 L C 2.003 178.968 176.870 0.159 0.000 1.119 275 L CA 0.616 55.567 54.840 0.185 0.000 0.790 275 L CB -0.269 41.887 42.059 0.160 0.000 0.919 275 L HN 0.372 nan 8.230 nan 0.000 0.443 276 M N -1.180 118.540 119.600 0.200 0.000 2.296 276 M HA -0.087 4.393 4.480 0.001 0.000 0.265 276 M C 0.533 176.933 176.300 0.167 0.000 1.064 276 M CA 0.999 56.413 55.300 0.191 0.000 1.109 276 M CB -0.060 32.712 32.600 0.287 0.000 1.396 276 M HN 0.158 nan 8.290 nan 0.000 0.430 277 M N 1.039 120.721 119.600 0.136 0.000 2.180 277 M HA 0.154 4.634 4.480 0.001 0.000 0.358 277 M C 0.062 176.394 176.300 0.054 0.000 1.233 277 M CA -0.060 55.276 55.300 0.061 0.000 1.114 277 M CB 0.457 32.980 32.600 -0.128 0.000 1.594 277 M HN 0.072 nan 8.290 nan 0.000 0.467 278 E N 0.891 121.126 120.200 0.058 0.000 2.414 278 E HA 0.284 4.635 4.350 0.001 0.000 0.263 278 E C 0.970 177.591 176.600 0.035 0.000 1.000 278 E CA 0.988 57.415 56.400 0.046 0.000 0.914 278 E CB 0.426 30.156 29.700 0.049 0.000 0.948 278 E HN 0.909 nan 8.360 nan 0.000 0.444 279 G N 2.597 111.417 108.800 0.033 0.000 2.157 279 G HA2 -0.237 3.724 3.960 0.001 0.000 0.248 279 G HA3 -0.237 3.724 3.960 0.001 0.000 0.248 279 G C -0.115 174.805 174.900 0.033 0.000 0.979 279 G CA 0.105 45.221 45.100 0.027 0.000 0.650 279 G HN 0.480 nan 8.290 nan 0.000 0.529 280 V N 3.415 123.358 119.914 0.048 0.000 2.294 280 V HA 0.472 4.592 4.120 0.001 0.000 0.272 280 V C -1.291 174.845 176.094 0.071 0.000 1.027 280 V CA -1.291 61.051 62.300 0.070 0.000 0.823 280 V CB 1.464 33.349 31.823 0.103 0.000 1.030 280 V HN 0.297 nan 8.190 nan 0.000 0.457 281 P HA 0.204 nan 4.420 nan 0.000 0.279 281 P C 0.943 178.280 177.300 0.062 0.000 1.239 281 P CA -0.242 62.886 63.100 0.047 0.000 0.789 281 P CB 1.605 33.321 31.700 0.026 0.000 0.933 282 S N 2.353 118.088 115.700 0.059 0.000 2.382 282 S HA -0.182 4.288 4.470 0.001 0.000 0.228 282 S C 1.911 176.552 174.600 0.068 0.000 1.027 282 S CA 1.023 59.262 58.200 0.065 0.000 0.991 282 S CB -1.340 61.889 63.200 0.049 0.000 0.823 282 S HN 0.531 nan 8.310 nan 0.000 0.469 283 A N 1.617 124.471 122.820 0.057 0.000 2.125 283 A HA 0.014 4.335 4.320 0.001 0.000 0.219 283 A C 2.140 179.788 177.584 0.106 0.000 1.156 283 A CA 1.250 53.328 52.037 0.069 0.000 0.671 283 A CB -0.426 18.599 19.000 0.041 0.000 0.794 283 A HN 0.616 nan 8.150 nan 0.000 0.459 284 K N -0.876 119.573 120.400 0.083 0.000 2.361 284 K HA 0.279 4.599 4.320 0.001 0.000 0.194 284 K C -0.304 176.404 176.600 0.181 0.000 1.032 284 K CA -0.029 56.316 56.287 0.096 0.000 1.048 284 K CB 0.260 32.770 32.500 0.016 0.000 0.842 284 K HN 0.447 nan 8.250 nan 0.000 0.526 285 I N 2.042 122.692 120.570 0.133 0.000 2.371 285 I HA 0.061 4.231 4.170 0.001 0.000 0.290 285 I C -0.350 175.820 176.117 0.089 0.000 1.028 285 I CA -0.514 60.840 61.300 0.090 0.000 1.345 285 I CB 1.295 39.330 38.000 0.057 0.000 1.407 285 I HN -0.282 nan 8.210 nan 0.000 0.501 286 V N 7.509 127.457 119.914 0.056 0.000 2.495 286 V HA 0.320 4.440 4.120 0.001 0.000 0.298 286 V C 0.092 176.206 176.094 0.033 0.000 1.031 286 V CA -0.696 61.612 62.300 0.014 0.000 0.871 286 V CB 1.839 33.615 31.823 -0.077 0.000 0.988 286 V HN 0.691 nan 8.190 nan 0.000 0.432 287 M N 4.222 123.863 119.600 0.069 0.000 2.120 287 M HA 0.521 5.002 4.480 0.001 0.000 0.354 287 M C 0.497 176.869 176.300 0.119 0.000 1.287 287 M CA -0.095 55.258 55.300 0.089 0.000 1.103 287 M CB 0.561 33.240 32.600 0.132 0.000 1.623 287 M HN 0.800 nan 8.290 nan 0.000 0.471 288 G N 3.946 112.820 108.800 0.124 0.000 2.448 288 G HA2 0.565 4.526 3.960 0.001 0.000 0.285 288 G HA3 0.565 4.526 3.960 0.001 0.000 0.285 288 G C -0.947 174.189 174.900 0.393 0.000 1.176 288 G CA -0.547 44.722 45.100 0.283 0.000 0.852 288 G HN 0.835 nan 8.290 nan 0.000 0.530 289 V N -0.906 119.309 119.914 0.503 0.000 2.925 289 V HA 0.863 4.984 4.120 0.001 0.000 0.311 289 V C -2.783 173.549 176.094 0.396 0.000 1.104 289 V CA -2.668 59.903 62.300 0.453 0.000 0.954 289 V CB 2.613 34.542 31.823 0.176 0.000 1.022 289 V HN 0.646 nan 8.190 nan 0.000 0.427 290 P HA 0.456 nan 4.420 nan 0.000 0.294 290 P C -0.795 176.675 177.300 0.284 0.000 1.294 290 P CA -0.252 62.781 63.100 -0.111 0.000 0.827 290 P CB 1.325 32.603 31.700 -0.702 0.000 0.992 291 F N 2.594 122.572 119.950 0.047 0.000 2.668 291 F HA 0.236 4.763 4.527 0.000 0.000 0.297 291 F C 0.302 176.171 175.800 0.115 0.000 1.124 291 F CA -0.487 57.553 58.000 0.068 0.000 1.353 291 F CB -0.626 38.391 39.000 0.028 0.000 0.992 291 F HN 0.246 nan 8.300 nan 0.000 0.524 292 Y N -2.669 117.774 120.300 0.239 0.000 2.625 292 Y HA 0.851 5.402 4.550 0.001 0.000 0.338 292 Y C -0.214 175.787 175.900 0.168 0.000 1.123 292 Y CA -2.206 55.983 58.100 0.148 0.000 1.046 292 Y CB 0.859 39.381 38.460 0.103 0.000 1.299 292 Y HN -0.110 nan 8.280 nan 0.000 0.464 293 G N 1.017 109.928 108.800 0.185 0.000 2.600 293 G HA2 0.746 4.707 3.960 0.001 0.000 0.303 293 G HA3 0.746 4.707 3.960 0.001 0.000 0.303 293 G C -1.564 173.464 174.900 0.214 0.000 1.253 293 G CA -1.586 43.603 45.100 0.148 0.000 0.974 293 G HN 0.668 nan 8.290 nan 0.000 0.483 294 R N -0.567 120.035 120.500 0.171 0.000 2.599 294 R HA 0.668 5.008 4.340 0.001 0.000 0.295 294 R C -0.618 175.744 176.300 0.103 0.000 0.963 294 R CA -0.586 55.585 56.100 0.118 0.000 0.883 294 R CB 2.295 32.661 30.300 0.110 0.000 1.171 294 R HN 0.648 nan 8.270 nan 0.000 0.450 295 A N 2.913 125.753 122.820 0.034 0.000 2.355 295 A HA 0.822 5.143 4.320 0.001 0.000 0.324 295 A C -1.245 176.475 177.584 0.227 0.000 1.117 295 A CA -0.498 51.681 52.037 0.235 0.000 0.785 295 A CB 0.764 19.906 19.000 0.237 0.000 1.254 295 A HN 0.527 nan 8.150 nan 0.000 0.453 296 F N 0.526 120.648 119.950 0.286 0.000 2.563 296 F HA 0.598 5.125 4.527 0.001 0.000 0.316 296 F C 0.449 176.220 175.800 -0.048 0.000 1.076 296 F CA -0.637 57.422 58.000 0.097 0.000 0.921 296 F CB 2.355 41.339 39.000 -0.028 0.000 1.209 296 F HN 0.715 nan 8.300 nan 0.000 0.462 297 K N -0.460 119.822 120.400 -0.196 0.000 2.306 297 K HA 0.806 5.126 4.320 0.001 0.000 0.236 297 K C 0.392 176.922 176.600 -0.117 0.000 1.013 297 K CA -0.689 55.357 56.287 -0.401 0.000 0.857 297 K CB 1.878 33.647 32.500 -1.218 0.000 1.214 297 K HN 0.932 nan 8.250 nan 0.000 0.449 298 G N -0.023 108.718 108.800 -0.098 0.000 2.221 298 G HA2 -0.230 3.730 3.960 0.001 0.000 0.265 298 G HA3 -0.230 3.730 3.960 0.001 0.000 0.265 298 G C -0.012 174.914 174.900 0.043 0.000 1.041 298 G CA 0.260 45.344 45.100 -0.026 0.000 0.807 298 G HN 0.939 nan 8.290 nan 0.000 0.502 299 V N -2.626 117.338 119.914 0.083 0.000 2.997 299 V HA 0.909 5.030 4.120 0.001 0.000 0.311 299 V C 0.570 176.716 176.094 0.086 0.000 1.066 299 V CA -0.107 62.240 62.300 0.079 0.000 1.039 299 V CB 1.836 33.718 31.823 0.099 0.000 1.081 299 V HN 0.549 nan 8.190 nan 0.000 0.467 300 S N 1.517 117.233 115.700 0.026 0.000 2.617 300 S HA 0.745 5.216 4.470 0.001 0.000 0.283 300 S C 0.425 175.033 174.600 0.012 0.000 1.189 300 S CA 0.049 58.266 58.200 0.028 0.000 1.036 300 S CB 1.406 64.595 63.200 -0.018 0.000 1.014 300 S HN 1.383 nan 8.310 nan 0.000 0.522 301 G N -0.344 108.492 108.800 0.059 0.000 2.563 301 G HA2 0.535 4.496 3.960 0.001 0.000 0.283 301 G HA3 0.535 4.496 3.960 0.001 0.000 0.283 301 G C 0.891 175.739 174.900 -0.086 0.000 1.309 301 G CA -0.025 45.075 45.100 0.000 0.000 1.022 301 G HN 1.306 nan 8.290 nan 0.000 0.501 302 G N -0.401 108.333 108.800 -0.111 0.000 2.659 302 G HA2 -0.251 3.710 3.960 0.001 0.000 0.202 302 G HA3 -0.251 3.710 3.960 0.001 0.000 0.202 302 G C 0.699 175.533 174.900 -0.111 0.000 1.186 302 G CA 0.570 45.621 45.100 -0.081 0.000 0.783 302 G HN 0.918 nan 8.290 nan 0.000 0.521 303 N N 1.611 120.199 118.700 -0.188 0.000 2.553 303 N HA 0.442 5.182 4.740 0.001 0.000 0.298 303 N C 1.164 176.517 175.510 -0.262 0.000 1.596 303 N CA 1.030 53.967 53.050 -0.187 0.000 0.910 303 N CB 0.004 38.369 38.487 -0.202 0.000 1.336 303 N HN 1.596 nan 8.380 nan 0.000 0.497 304 G N 0.186 108.757 108.800 -0.382 0.000 2.283 304 G HA2 -0.249 3.711 3.960 0.001 0.000 0.280 304 G HA3 -0.249 3.711 3.960 0.001 0.000 0.280 304 G C 1.007 175.577 174.900 -0.551 0.000 1.029 304 G CA 0.656 45.415 45.100 -0.568 0.000 0.840 304 G HN 1.060 nan 8.290 nan 0.000 0.505 305 G N -2.023 106.397 108.800 -0.634 0.000 2.176 305 G HA2 -0.269 3.691 3.960 0.001 0.000 0.253 305 G HA3 -0.269 3.691 3.960 0.001 0.000 0.253 305 G C 0.358 174.752 174.900 -0.844 0.000 0.979 305 G CA 0.929 45.821 45.100 -0.347 0.000 0.641 305 G HN 1.120 nan 8.290 nan 0.000 0.530 306 Q N -0.635 118.614 119.800 -0.919 0.000 2.314 306 Q HA 0.458 4.798 4.340 0.001 0.000 0.258 306 Q C 0.364 175.750 176.000 -1.023 0.000 0.954 306 Q CA -0.551 54.397 55.803 -1.425 0.000 0.890 306 Q CB 0.300 28.093 28.738 -1.574 0.000 1.210 306 Q HN 0.610 nan 8.270 nan 0.000 0.410 307 Y N -1.119 118.782 120.300 -0.665 0.000 3.234 307 Y HA -0.259 4.291 4.550 0.000 0.000 0.207 307 Y C -0.023 175.674 175.900 -0.338 0.000 1.316 307 Y CA 0.661 58.510 58.100 -0.419 0.000 1.309 307 Y CB -2.307 35.980 38.460 -0.289 0.000 1.408 307 Y HN 0.458 nan 8.280 nan 0.000 0.544 308 S N -0.315 115.213 115.700 -0.286 0.000 2.648 308 S HA 0.836 5.307 4.470 0.001 0.000 0.305 308 S C 0.312 174.847 174.600 -0.108 0.000 1.094 308 S CA -0.113 57.974 58.200 -0.188 0.000 0.983 308 S CB 1.366 64.436 63.200 -0.216 0.000 1.101 308 S HN 0.580 nan 8.310 nan 0.000 0.514 309 S N 1.359 117.022 115.700 -0.062 0.000 2.603 309 S HA 0.584 5.054 4.470 0.001 0.000 0.268 309 S C -0.354 174.258 174.600 0.021 0.000 1.317 309 S CA -0.223 57.950 58.200 -0.045 0.000 1.012 309 S CB 0.138 63.296 63.200 -0.071 0.000 0.926 309 S HN 1.065 nan 8.310 nan 0.000 0.539 310 H N -2.168 116.887 119.070 -0.025 0.000 2.990 310 H HA 0.690 5.247 4.556 0.001 0.000 0.343 310 H C -0.649 174.686 175.328 0.011 0.000 1.270 310 H CA -0.544 55.509 56.048 0.009 0.000 1.118 310 H CB 1.014 30.840 29.762 0.106 0.000 1.861 310 H HN 0.554 nan 8.280 nan 0.000 0.544 311 S N 0.010 115.751 115.700 0.068 0.000 2.592 311 S HA 0.271 4.741 4.470 0.001 0.000 0.243 311 S C -0.649 174.001 174.600 0.083 0.000 1.160 311 S CA -0.519 57.675 58.200 -0.010 0.000 1.145 311 S CB -0.710 62.458 63.200 -0.053 0.000 0.909 311 S HN 0.640 nan 8.310 nan 0.000 0.487 312 T N 4.452 119.233 114.554 0.378 0.000 2.767 312 T HA 0.460 4.811 4.350 0.001 0.000 0.288 312 T C -2.766 172.117 174.700 0.305 0.000 0.963 312 T CA -1.315 60.971 62.100 0.309 0.000 1.019 312 T CB 0.983 70.006 68.868 0.258 0.000 0.923 312 T HN 0.175 nan 8.240 nan 0.000 0.468 313 P HA 0.209 nan 4.420 nan 0.000 0.267 313 P C 0.809 178.268 177.300 0.264 0.000 1.205 313 P CA -0.056 63.185 63.100 0.234 0.000 0.765 313 P CB 0.477 32.312 31.700 0.225 0.000 0.828 314 G N 2.011 110.950 108.800 0.233 0.000 3.020 314 G HA2 -0.014 3.946 3.960 0.001 0.000 0.217 314 G HA3 -0.014 3.946 3.960 0.001 0.000 0.217 314 G C 0.263 175.313 174.900 0.249 0.000 1.144 314 G CA -0.084 45.188 45.100 0.286 0.000 0.760 314 G HN 0.564 nan 8.290 nan 0.000 0.548 315 E N 1.093 121.398 120.200 0.176 0.000 2.314 315 E HA 0.312 4.662 4.350 0.001 0.000 0.262 315 E C -1.419 175.258 176.600 0.128 0.000 1.093 315 E CA -0.334 56.142 56.400 0.127 0.000 0.908 315 E CB 1.372 31.124 29.700 0.087 0.000 1.091 315 E HN -0.073 nan 8.360 nan 0.000 0.425 316 D N 1.979 122.435 120.400 0.093 0.000 2.646 316 D HA 0.376 5.016 4.640 0.001 0.000 0.245 316 D C -1.772 174.580 176.300 0.087 0.000 1.099 316 D CA -1.057 52.999 54.000 0.094 0.000 0.849 316 D CB 1.643 42.477 40.800 0.057 0.000 1.448 316 D HN 0.412 nan 8.370 nan 0.000 0.489 317 P HA 0.125 nan 4.420 nan 0.000 0.274 317 P C -0.403 176.989 177.300 0.153 0.000 1.256 317 P CA -0.470 62.700 63.100 0.118 0.000 0.795 317 P CB 0.594 32.357 31.700 0.106 0.000 1.038 318 Y N 2.987 123.329 120.300 0.070 0.000 2.804 318 Y HA 0.003 4.553 4.550 0.001 0.000 0.338 318 Y C -1.065 174.885 175.900 0.083 0.000 1.252 318 Y CA -1.446 56.709 58.100 0.091 0.000 1.576 318 Y CB -0.018 38.504 38.460 0.104 0.000 1.223 318 Y HN 0.272 nan 8.280 nan 0.000 0.536 319 P HA 0.001 nan 4.420 nan 0.000 0.245 319 P C -0.163 176.925 177.300 -0.353 0.000 1.212 319 P CA 0.485 63.431 63.100 -0.257 0.000 0.774 319 P CB 0.498 32.101 31.700 -0.162 0.000 0.999 320 S N -0.642 114.641 115.700 -0.695 0.000 2.740 320 S HA 0.488 4.958 4.470 0.001 0.000 0.300 320 S C 0.737 175.216 174.600 -0.201 0.000 1.147 320 S CA -0.106 57.835 58.200 -0.431 0.000 0.871 320 S CB 1.178 64.121 63.200 -0.430 0.000 1.173 320 S HN 0.057 nan 8.310 nan 0.000 0.510 321 T N -0.754 113.701 114.554 -0.166 0.000 3.044 321 T HA 0.249 4.600 4.350 0.001 0.000 0.260 321 T C -0.161 174.182 174.700 -0.595 0.000 1.019 321 T CA -0.292 61.632 62.100 -0.293 0.000 0.921 321 T CB -0.506 68.277 68.868 -0.142 0.000 1.053 321 T HN 0.659 nan 8.240 nan 0.000 0.533 322 D N 1.505 121.724 120.400 -0.302 0.000 2.313 322 D HA 0.081 4.721 4.640 0.001 0.000 0.239 322 D C -1.249 174.901 176.300 -0.249 0.000 1.142 322 D CA -0.593 53.287 54.000 -0.199 0.000 0.847 322 D CB 0.646 41.505 40.800 0.098 0.000 1.082 322 D HN 0.205 nan 8.370 nan 0.000 0.480 323 Y N 2.405 122.710 120.300 0.008 0.000 2.595 323 Y HA 0.153 4.704 4.550 0.001 0.000 0.336 323 Y C 0.773 176.551 175.900 -0.202 0.000 0.996 323 Y CA -1.344 56.598 58.100 -0.263 0.000 1.260 323 Y CB 0.456 38.786 38.460 -0.217 0.000 1.108 323 Y HN 0.531 nan 8.280 nan 0.000 0.509 324 W N 1.899 123.244 121.300 0.076 0.000 3.278 324 W HA 0.273 4.934 4.660 0.000 0.000 0.308 324 W C -0.697 175.809 176.519 -0.022 0.000 1.253 324 W CA -0.444 56.913 57.345 0.019 0.000 1.759 324 W CB 0.149 29.626 29.460 0.028 0.000 1.093 324 W HN 0.344 nan 8.180 nan 0.000 0.648 325 L N 3.277 124.386 121.223 -0.190 0.000 2.385 325 L HA 0.251 4.591 4.340 0.001 0.000 0.285 325 L C 0.286 177.116 176.870 -0.067 0.000 1.125 325 L CA -0.689 54.114 54.840 -0.061 0.000 0.890 325 L CB 0.367 42.248 42.059 -0.297 0.000 1.251 325 L HN -0.212 nan 8.230 nan 0.000 0.445 326 V N 6.168 126.069 119.914 -0.021 0.000 2.584 326 V HA 0.223 4.343 4.120 0.001 0.000 0.303 326 V C 1.566 177.480 176.094 -0.299 0.000 1.035 326 V CA 1.144 63.363 62.300 -0.135 0.000 1.172 326 V CB -0.022 31.669 31.823 -0.221 0.000 0.896 326 V HN 1.075 nan 8.190 nan 0.000 0.486 327 G N 3.120 111.598 108.800 -0.536 0.000 2.179 327 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 327 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 327 G C 0.529 175.133 174.900 -0.493 0.000 0.977 327 G CA 0.071 44.566 45.100 -1.008 0.000 0.641 327 G HN 1.010 nan 8.290 nan 0.000 0.533 328 C N 2.111 121.215 119.300 -0.326 0.000 2.145 328 C HA 0.585 5.045 4.460 0.001 0.000 0.374 328 C C 1.779 176.630 174.990 -0.232 0.000 1.035 328 C CA 0.046 58.904 59.018 -0.267 0.000 1.431 328 C CB -1.252 26.325 27.740 -0.273 0.000 1.789 328 C HN 0.531 nan 8.230 nan 0.000 0.483 329 E N 1.051 121.140 120.200 -0.186 0.000 2.274 329 E HA -0.188 4.163 4.350 0.001 0.000 0.194 329 E C 1.925 178.417 176.600 -0.180 0.000 0.996 329 E CA 0.758 57.063 56.400 -0.157 0.000 0.840 329 E CB 0.125 29.767 29.700 -0.097 0.000 0.772 329 E HN 0.849 nan 8.360 nan 0.000 0.491 330 E N 0.589 120.685 120.200 -0.174 0.000 2.110 330 E HA -0.189 4.161 4.350 0.001 0.000 0.193 330 E C 1.909 178.373 176.600 -0.225 0.000 0.988 330 E CA 1.088 57.389 56.400 -0.165 0.000 0.804 330 E CB 0.012 29.628 29.700 -0.141 0.000 0.745 330 E HN 0.246 nan 8.360 nan 0.000 0.458 331 C N 0.124 119.252 119.300 -0.286 0.000 2.425 331 C HA -0.083 4.378 4.460 0.001 0.000 0.277 331 C C 2.644 177.281 174.990 -0.587 0.000 1.280 331 C CA 0.415 59.199 59.018 -0.389 0.000 1.744 331 C CB -0.774 26.715 27.740 -0.419 0.000 1.989 331 C HN 0.334 nan 8.230 nan 0.000 0.491 332 V N 0.836 120.399 119.914 -0.584 0.000 2.307 332 V HA -0.191 3.929 4.120 0.001 0.000 0.245 332 V C 2.603 178.385 176.094 -0.520 0.000 1.045 332 V CA 1.780 63.604 62.300 -0.793 0.000 1.024 332 V CB -0.638 30.946 31.823 -0.398 0.000 0.651 332 V HN 0.493 nan 8.190 nan 0.000 0.449 333 R N 0.156 120.476 120.500 -0.300 0.000 2.081 333 R HA -0.132 4.208 4.340 0.001 0.000 0.235 333 R C 1.649 177.850 176.300 -0.165 0.000 1.131 333 R CA 1.592 57.584 56.100 -0.181 0.000 0.960 333 R CB -0.304 29.924 30.300 -0.120 0.000 0.856 333 R HN 0.506 nan 8.270 nan 0.000 0.436 334 D N 0.222 120.503 120.400 -0.197 0.000 2.339 334 D HA 0.027 4.667 4.640 0.001 0.000 0.217 334 D C -0.059 176.151 176.300 -0.150 0.000 1.050 334 D CA 0.233 54.151 54.000 -0.137 0.000 0.856 334 D CB 0.269 41.002 40.800 -0.112 0.000 0.922 334 D HN 0.060 nan 8.370 nan 0.000 0.518 335 K N 0.849 121.085 120.400 -0.274 0.000 3.096 335 K HA -0.181 4.139 4.320 0.001 0.000 0.266 335 K C -0.555 176.023 176.600 -0.037 0.000 1.043 335 K CA 0.589 56.770 56.287 -0.176 0.000 0.758 335 K CB -1.044 31.503 32.500 0.078 0.000 1.260 335 K HN 0.094 nan 8.250 nan 0.000 0.481 336 D N -0.761 119.471 120.400 -0.280 0.000 2.591 336 D HA 0.115 4.755 4.640 0.001 0.000 0.222 336 D C -2.331 173.644 176.300 -0.542 0.000 1.360 336 D CA -1.608 52.164 54.000 -0.380 0.000 0.967 336 D CB 1.515 42.211 40.800 -0.174 0.000 1.456 336 D HN -0.163 nan 8.370 nan 0.000 0.588 337 P HA 0.139 nan 4.420 nan 0.000 0.249 337 P C 0.669 177.465 177.300 -0.841 0.000 1.229 337 P CA 0.028 62.548 63.100 -0.966 0.000 0.788 337 P CB 0.404 31.140 31.700 -1.607 0.000 1.072 338 R N -0.503 119.703 120.500 -0.490 0.000 2.317 338 R HA 0.371 4.711 4.340 0.001 0.000 0.208 338 R C 0.888 177.121 176.300 -0.112 0.000 0.914 338 R CA 0.111 56.104 56.100 -0.179 0.000 1.060 338 R CB 0.357 30.634 30.300 -0.038 0.000 1.015 338 R HN 0.250 nan 8.270 nan 0.000 0.498 339 I N -0.417 120.070 120.570 -0.138 0.000 2.752 339 I HA 0.565 4.735 4.170 0.001 0.000 0.295 339 I C -1.966 174.106 176.117 -0.074 0.000 1.219 339 I CA -0.913 60.365 61.300 -0.038 0.000 1.030 339 I CB 2.084 40.072 38.000 -0.021 0.000 1.259 339 I HN -0.051 nan 8.210 nan 0.000 0.423 340 A N 4.296 127.112 122.820 -0.007 0.000 2.547 340 A HA 0.670 4.991 4.320 0.001 0.000 0.297 340 A C -0.616 176.978 177.584 0.017 0.000 1.056 340 A CA -0.273 51.728 52.037 -0.061 0.000 0.688 340 A CB 1.616 20.522 19.000 -0.157 0.000 1.282 340 A HN 0.828 nan 8.150 nan 0.000 0.400 341 S N 0.863 116.552 115.700 -0.017 0.000 2.584 341 S HA 0.223 4.693 4.470 0.001 0.000 0.270 341 S C 0.852 175.441 174.600 -0.018 0.000 1.346 341 S CA 0.415 58.628 58.200 0.022 0.000 1.018 341 S CB 0.133 63.305 63.200 -0.046 0.000 0.899 341 S HN 1.321 nan 8.310 nan 0.000 0.542 342 Y N 2.362 122.622 120.300 -0.066 0.000 2.207 342 Y HA -0.162 4.388 4.550 0.001 0.000 0.287 342 Y C 2.662 178.472 175.900 -0.150 0.000 1.156 342 Y CA 2.029 60.053 58.100 -0.127 0.000 1.182 342 Y CB -0.323 38.035 38.460 -0.170 0.000 0.979 342 Y HN 0.845 nan 8.280 nan 0.000 0.521 343 R N 0.071 120.490 120.500 -0.135 0.000 2.094 343 R HA -0.309 4.031 4.340 0.001 0.000 0.239 343 R C 2.388 178.527 176.300 -0.268 0.000 1.137 343 R CA 2.265 58.257 56.100 -0.180 0.000 0.943 343 R CB -0.446 29.816 30.300 -0.063 0.000 0.850 343 R HN 0.434 nan 8.270 nan 0.000 0.433 344 Q N 0.516 120.181 119.800 -0.225 0.000 2.079 344 Q HA -0.083 4.257 4.340 0.001 0.000 0.200 344 Q C 2.086 177.895 176.000 -0.318 0.000 0.974 344 Q CA 1.695 57.362 55.803 -0.227 0.000 0.840 344 Q CB -0.221 28.402 28.738 -0.191 0.000 0.898 344 Q HN 0.499 nan 8.270 nan 0.000 0.430 345 L N 0.223 121.194 121.223 -0.420 0.000 2.083 345 L HA -0.153 4.187 4.340 0.001 0.000 0.209 345 L C 2.527 179.063 176.870 -0.556 0.000 1.083 345 L CA 1.696 56.209 54.840 -0.544 0.000 0.752 345 L CB -0.489 41.164 42.059 -0.678 0.000 0.899 345 L HN 0.411 nan 8.230 nan 0.000 0.433 346 E N -0.028 119.776 120.200 -0.660 0.000 2.106 346 E HA -0.252 4.098 4.350 0.001 0.000 0.192 346 E C 2.188 178.620 176.600 -0.280 0.000 0.984 346 E CA 1.075 57.154 56.400 -0.535 0.000 0.806 346 E CB 0.093 29.376 29.700 -0.695 0.000 0.750 346 E HN 0.516 nan 8.360 nan 0.000 0.458 347 Q N -0.205 119.454 119.800 -0.234 0.000 2.084 347 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 347 Q C 2.218 178.208 176.000 -0.016 0.000 0.978 347 Q CA 1.746 57.488 55.803 -0.101 0.000 0.844 347 Q CB -0.059 28.633 28.738 -0.077 0.000 0.898 347 Q HN 0.350 nan 8.270 nan 0.000 0.426 348 M N 0.060 119.617 119.600 -0.072 0.000 2.202 348 M HA -0.189 4.291 4.480 0.001 0.000 0.262 348 M C 1.886 178.271 176.300 0.142 0.000 1.063 348 M CA 1.282 56.616 55.300 0.057 0.000 1.097 348 M CB -0.085 32.364 32.600 -0.252 0.000 1.382 348 M HN 0.206 nan 8.290 nan 0.000 0.413 349 L N -0.480 120.716 121.223 -0.045 0.000 2.291 349 L HA -0.152 4.188 4.340 0.001 0.000 0.214 349 L C 2.042 178.924 176.870 0.020 0.000 1.120 349 L CA 0.726 55.561 54.840 -0.009 0.000 0.799 349 L CB -0.300 41.706 42.059 -0.088 0.000 0.925 349 L HN 0.358 nan 8.230 nan 0.000 0.446 350 Q N -0.826 118.976 119.800 0.003 0.000 2.319 350 Q HA 0.117 4.457 4.340 0.001 0.000 0.202 350 Q C 1.597 177.584 176.000 -0.021 0.000 0.896 350 Q CA 0.534 56.330 55.803 -0.011 0.000 0.942 350 Q CB 0.772 29.494 28.738 -0.026 0.000 1.083 350 Q HN 0.397 nan 8.270 nan 0.000 0.510 351 G N 1.057 109.862 108.800 0.008 0.000 3.233 351 G HA2 -0.031 3.929 3.960 0.001 0.000 0.234 351 G HA3 -0.031 3.929 3.960 0.001 0.000 0.234 351 G C 0.371 175.012 174.900 -0.431 0.000 1.137 351 G CA -0.454 44.531 45.100 -0.192 0.000 0.763 351 G HN 0.487 nan 8.290 nan 0.000 0.549 352 N N -0.732 117.871 118.700 -0.161 0.000 2.667 352 N HA -0.227 4.513 4.740 0.001 0.000 0.263 352 N C -0.163 175.233 175.510 -0.190 0.000 1.038 352 N CA 0.065 53.032 53.050 -0.140 0.000 0.749 352 N CB -0.552 37.841 38.487 -0.157 0.000 0.892 352 N HN 0.413 nan 8.380 nan 0.000 0.546 353 Y N -0.579 119.769 120.300 0.081 0.000 2.467 353 Y HA 0.303 4.853 4.550 0.000 0.000 0.250 353 Y C 1.838 177.734 175.900 -0.007 0.000 1.155 353 Y CA 0.743 58.894 58.100 0.085 0.000 1.249 353 Y CB 0.872 39.456 38.460 0.208 0.000 1.146 353 Y HN 0.462 nan 8.280 nan 0.000 0.524 354 G N -1.094 107.716 108.800 0.018 0.000 2.148 354 G HA2 -0.271 3.690 3.960 0.001 0.000 0.203 354 G HA3 -0.271 3.690 3.960 0.001 0.000 0.203 354 G C -0.351 174.262 174.900 -0.479 0.000 0.993 354 G CA -0.595 44.323 45.100 -0.303 0.000 0.661 354 G HN 0.227 nan 8.290 nan 0.000 0.518 355 Y N 0.373 120.667 120.300 -0.010 0.000 2.320 355 Y HA 0.624 5.174 4.550 0.001 0.000 0.324 355 Y C 0.676 176.563 175.900 -0.022 0.000 1.190 355 Y CA -0.233 57.870 58.100 0.006 0.000 1.215 355 Y CB 1.317 39.823 38.460 0.077 0.000 1.221 355 Y HN 0.252 nan 8.280 nan 0.000 0.486 356 Q N 3.264 123.164 119.800 0.167 0.000 2.331 356 Q HA 0.364 4.704 4.340 0.001 0.000 0.267 356 Q C -0.969 175.093 176.000 0.103 0.000 1.006 356 Q CA -1.015 54.852 55.803 0.106 0.000 0.818 356 Q CB 1.166 29.960 28.738 0.092 0.000 1.276 356 Q HN 0.702 nan 8.270 nan 0.000 0.450 357 R N 4.959 125.501 120.500 0.069 0.000 2.234 357 R HA 0.404 4.744 4.340 0.001 0.000 0.324 357 R C -1.136 175.146 176.300 -0.029 0.000 1.054 357 R CA -0.070 56.065 56.100 0.057 0.000 0.912 357 R CB 0.305 30.669 30.300 0.105 0.000 1.030 357 R HN 0.684 nan 8.270 nan 0.000 0.455 358 L N 3.518 124.604 121.223 -0.228 0.000 2.271 358 L HA 0.620 4.960 4.340 0.001 0.000 0.265 358 L C -0.676 176.103 176.870 -0.152 0.000 1.013 358 L CA -1.012 53.615 54.840 -0.354 0.000 0.820 358 L CB 1.851 43.391 42.059 -0.866 0.000 1.352 358 L HN 0.622 nan 8.230 nan 0.000 0.443 359 W N 1.604 122.824 121.300 -0.134 0.000 2.998 359 W HA 0.324 4.984 4.660 0.001 0.000 0.335 359 W C -1.630 175.006 176.519 0.195 0.000 1.110 359 W CA -0.569 56.806 57.345 0.050 0.000 1.230 359 W CB 1.967 31.425 29.460 -0.004 0.000 1.405 359 W HN 0.433 nan 8.180 nan 0.000 0.493 360 N N 3.808 122.287 118.700 -0.368 0.000 2.437 360 N HA 0.047 4.788 4.740 0.001 0.000 0.259 360 N C 0.256 175.357 175.510 -0.682 0.000 0.983 360 N CA 0.071 52.918 53.050 -0.339 0.000 0.937 360 N CB 1.221 39.457 38.487 -0.419 0.000 1.122 360 N HN 0.440 nan 8.380 nan 0.000 0.499 361 D N 2.694 122.957 120.400 -0.228 0.000 2.349 361 D HA 0.003 4.643 4.640 0.001 0.000 0.224 361 D C 0.770 177.016 176.300 -0.090 0.000 1.029 361 D CA 0.825 54.785 54.000 -0.066 0.000 0.879 361 D CB 0.444 41.363 40.800 0.199 0.000 0.906 361 D HN 0.453 nan 8.370 nan 0.000 0.528 362 K N -0.354 119.966 120.400 -0.132 0.000 2.190 362 K HA 0.014 4.334 4.320 0.001 0.000 0.202 362 K C 2.010 178.573 176.600 -0.060 0.000 1.045 362 K CA 1.236 57.488 56.287 -0.057 0.000 0.976 362 K CB 0.088 32.572 32.500 -0.027 0.000 0.849 362 K HN 0.232 nan 8.250 nan 0.000 0.468 363 T N -0.632 113.794 114.554 -0.215 0.000 3.055 363 T HA 0.013 4.363 4.350 0.001 0.000 0.265 363 T C 0.467 174.925 174.700 -0.404 0.000 1.111 363 T CA 0.234 62.171 62.100 -0.272 0.000 1.118 363 T CB -0.026 68.573 68.868 -0.449 0.000 0.909 363 T HN -0.036 nan 8.240 nan 0.000 0.501 364 K N 2.141 122.178 120.400 -0.605 0.000 3.096 364 K HA -0.120 4.201 4.320 0.001 0.000 0.266 364 K C 0.029 176.033 176.600 -0.992 0.000 1.043 364 K CA 1.292 57.074 56.287 -0.841 0.000 0.758 364 K CB -2.817 29.352 32.500 -0.552 0.000 1.260 364 K HN 0.910 nan 8.250 nan 0.000 0.481 365 T N -2.530 111.276 114.554 -1.248 0.000 2.903 365 T HA 0.717 5.067 4.350 0.001 0.000 0.299 365 T C -2.927 171.326 174.700 -0.746 0.000 1.093 365 T CA -1.769 59.838 62.100 -0.823 0.000 1.002 365 T CB 3.805 72.409 68.868 -0.440 0.000 1.127 365 T HN -0.153 nan 8.240 nan 0.000 0.488 366 P HA 0.562 nan 4.420 nan 0.000 0.283 366 P C -1.654 175.701 177.300 0.091 0.000 1.278 366 P CA -0.529 62.552 63.100 -0.032 0.000 0.834 366 P CB 0.728 32.336 31.700 -0.154 0.000 1.150 367 Y N -2.219 118.141 120.300 0.100 0.000 2.624 367 Y HA 0.645 5.195 4.550 0.000 0.000 0.334 367 Y C -1.745 174.301 175.900 0.242 0.000 1.155 367 Y CA -1.456 56.727 58.100 0.138 0.000 1.046 367 Y CB 0.534 39.034 38.460 0.066 0.000 1.316 367 Y HN 0.099 nan 8.280 nan 0.000 0.457 368 L N 2.844 124.196 121.223 0.215 0.000 2.334 368 L HA 0.559 4.899 4.340 0.001 0.000 0.273 368 L C -1.407 175.687 176.870 0.373 0.000 1.013 368 L CA -1.127 53.826 54.840 0.189 0.000 0.816 368 L CB 1.952 44.037 42.059 0.042 0.000 1.278 368 L HN 0.772 nan 8.230 nan 0.000 0.431 369 Y N 1.298 121.753 120.300 0.258 0.000 2.406 369 Y HA 0.363 4.913 4.550 0.001 0.000 0.340 369 Y C -1.082 174.975 175.900 0.263 0.000 0.975 369 Y CA -1.132 57.154 58.100 0.309 0.000 1.056 369 Y CB 1.417 40.033 38.460 0.260 0.000 1.210 369 Y HN 0.555 nan 8.280 nan 0.000 0.448 370 H N 5.328 124.211 119.070 -0.311 0.000 2.691 370 H HA 0.583 5.139 4.556 0.001 0.000 0.281 370 H C 0.534 175.396 175.328 -0.778 0.000 1.121 370 H CA 0.250 56.010 56.048 -0.480 0.000 1.254 370 H CB 1.116 30.648 29.762 -0.385 0.000 1.390 370 H HN 0.883 nan 8.280 nan 0.000 0.491 371 A N 3.445 125.659 122.820 -1.010 0.000 1.873 371 A HA -0.271 4.049 4.320 0.001 0.000 0.218 371 A C 2.196 179.619 177.584 -0.268 0.000 1.193 371 A CA 1.965 53.573 52.037 -0.716 0.000 0.629 371 A CB -0.609 18.177 19.000 -0.358 0.000 0.826 371 A HN 0.832 nan 8.150 nan 0.000 0.447 372 Q N -0.291 119.365 119.800 -0.240 0.000 2.030 372 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 372 Q C 1.553 177.604 176.000 0.085 0.000 0.986 372 Q CA 2.077 57.853 55.803 -0.045 0.000 0.843 372 Q CB -0.237 28.468 28.738 -0.054 0.000 0.904 372 Q HN 0.827 nan 8.270 nan 0.000 0.420 373 N N -1.276 117.590 118.700 0.277 0.000 2.299 373 N HA 0.106 4.846 4.740 0.001 0.000 0.187 373 N C -0.030 175.510 175.510 0.051 0.000 1.099 373 N CA 0.344 53.449 53.050 0.092 0.000 0.867 373 N CB 0.772 39.201 38.487 -0.097 0.000 0.974 373 N HN 0.404 nan 8.380 nan 0.000 0.477 374 G N 1.613 110.457 108.800 0.074 0.000 2.326 374 G HA2 -0.208 3.752 3.960 0.001 0.000 0.286 374 G HA3 -0.208 3.752 3.960 0.001 0.000 0.286 374 G C -0.787 174.205 174.900 0.155 0.000 1.096 374 G CA -0.174 44.995 45.100 0.116 0.000 1.003 374 G HN 0.046 nan 8.290 nan 0.000 0.503 375 L N -0.396 120.954 121.223 0.212 0.000 2.334 375 L HA 0.917 5.257 4.340 0.001 0.000 0.276 375 L C -0.102 177.078 176.870 0.516 0.000 1.014 375 L CA -1.691 53.341 54.840 0.320 0.000 0.815 375 L CB 1.683 43.925 42.059 0.306 0.000 1.268 375 L HN 0.259 nan 8.230 nan 0.000 0.428 376 F N 2.821 122.979 119.950 0.347 0.000 2.556 376 F HA 0.799 5.326 4.527 0.000 0.000 0.314 376 F C -1.185 174.832 175.800 0.361 0.000 1.106 376 F CA -0.753 57.442 58.000 0.325 0.000 0.911 376 F CB 1.744 40.795 39.000 0.085 0.000 1.190 376 F HN 0.100 nan 8.300 nan 0.000 0.448 377 V N 4.314 123.949 119.914 -0.465 0.000 2.577 377 V HA 0.423 4.544 4.120 0.001 0.000 0.303 377 V C -0.482 175.293 176.094 -0.532 0.000 1.042 377 V CA -0.731 61.386 62.300 -0.306 0.000 0.872 377 V CB 1.792 33.539 31.823 -0.126 0.000 0.998 377 V HN 0.862 nan 8.190 nan 0.000 0.423 378 T N 5.344 119.724 114.554 -0.291 0.000 2.767 378 T HA 0.748 5.098 4.350 0.001 0.000 0.284 378 T C -0.886 173.931 174.700 0.195 0.000 0.973 378 T CA -0.148 61.915 62.100 -0.062 0.000 0.996 378 T CB 0.434 69.341 68.868 0.066 0.000 0.927 378 T HN 0.821 nan 8.240 nan 0.000 0.456 379 Y N 1.554 121.849 120.300 -0.008 0.000 2.744 379 Y HA 0.812 5.362 4.550 0.001 0.000 0.330 379 Y C -1.522 174.374 175.900 -0.006 0.000 1.263 379 Y CA -1.658 56.431 58.100 -0.019 0.000 1.065 379 Y CB 0.508 38.956 38.460 -0.020 0.000 1.306 379 Y HN 0.497 nan 8.280 nan 0.000 0.459 380 D N 0.289 120.599 120.400 -0.150 0.000 2.419 380 D HA 0.536 5.176 4.640 0.001 0.000 0.234 380 D C -1.407 174.589 176.300 -0.507 0.000 1.014 380 D CA -0.104 53.688 54.000 -0.347 0.000 0.919 380 D CB 1.914 42.642 40.800 -0.120 0.000 1.366 380 D HN 0.738 nan 8.370 nan 0.000 0.490 381 D N -0.944 119.012 120.400 -0.739 0.000 2.825 381 D HA 0.385 5.025 4.640 0.001 0.000 0.327 381 D C 0.307 176.082 176.300 -0.875 0.000 1.277 381 D CA -0.759 52.797 54.000 -0.741 0.000 0.950 381 D CB 0.341 41.045 40.800 -0.159 0.000 1.438 381 D HN 0.289 nan 8.370 nan 0.000 0.526 382 A N -0.528 121.977 122.820 -0.526 0.000 2.024 382 A HA -0.159 4.161 4.320 0.001 0.000 0.220 382 A C 1.869 179.460 177.584 0.012 0.000 1.164 382 A CA 2.285 54.194 52.037 -0.214 0.000 0.643 382 A CB -0.851 18.086 19.000 -0.104 0.000 0.806 382 A HN 0.588 nan 8.150 nan 0.000 0.451 383 E N 0.471 120.652 120.200 -0.031 0.000 2.051 383 E HA -0.112 4.238 4.350 0.001 0.000 0.189 383 E C 2.282 179.071 176.600 0.315 0.000 0.979 383 E CA 1.590 58.021 56.400 0.052 0.000 0.803 383 E CB -0.283 29.350 29.700 -0.112 0.000 0.761 383 E HN 0.648 nan 8.360 nan 0.000 0.451 384 S N -0.286 115.616 115.700 0.337 0.000 2.419 384 S HA -0.124 4.346 4.470 0.001 0.000 0.233 384 S C 1.737 176.604 174.600 0.445 0.000 1.016 384 S CA 0.742 59.201 58.200 0.431 0.000 0.974 384 S CB -0.562 62.700 63.200 0.103 0.000 0.786 384 S HN 0.195 nan 8.310 nan 0.000 0.492 385 F N 2.273 122.326 119.950 0.172 0.000 2.502 385 F HA 0.257 4.784 4.527 0.000 0.000 0.298 385 F C 2.224 178.057 175.800 0.056 0.000 1.111 385 F CA -0.147 57.944 58.000 0.151 0.000 1.445 385 F CB -0.677 38.419 39.000 0.159 0.000 1.081 385 F HN 0.277 nan 8.300 nan 0.000 0.558 386 K N -0.806 119.595 120.400 0.000 0.000 2.057 386 K HA -0.181 4.139 4.320 0.001 0.000 0.206 386 K C 1.942 178.363 176.600 -0.298 0.000 1.050 386 K CA 1.577 57.523 56.287 -0.567 0.000 0.935 386 K CB -0.404 31.674 32.500 -0.704 0.000 0.715 386 K HN 0.220 nan 8.250 nan 0.000 0.439 387 Y N 1.271 121.628 120.300 0.096 0.000 2.220 387 Y HA -0.111 4.439 4.550 0.001 0.000 0.291 387 Y C 2.142 178.136 175.900 0.157 0.000 1.129 387 Y CA 1.121 59.313 58.100 0.153 0.000 1.161 387 Y CB -0.065 38.506 38.460 0.185 0.000 0.997 387 Y HN -0.059 nan 8.280 nan 0.000 0.522 388 K N -0.128 120.441 120.400 0.282 0.000 2.097 388 K HA -0.107 4.214 4.320 0.001 0.000 0.205 388 K C 2.362 179.115 176.600 0.255 0.000 1.050 388 K CA 1.044 57.461 56.287 0.216 0.000 0.938 388 K CB -0.314 32.302 32.500 0.193 0.000 0.718 388 K HN 0.270 nan 8.250 nan 0.000 0.442 389 A N 1.774 124.700 122.820 0.177 0.000 1.930 389 A HA -0.192 4.128 4.320 0.001 0.000 0.217 389 A C 2.041 179.791 177.584 0.278 0.000 1.175 389 A CA 1.577 53.710 52.037 0.161 0.000 0.627 389 A CB -0.310 18.588 19.000 -0.169 0.000 0.815 389 A HN 0.212 nan 8.150 nan 0.000 0.443 390 K N -1.775 118.744 120.400 0.198 0.000 2.097 390 K HA -0.192 4.129 4.320 0.001 0.000 0.206 390 K C 1.856 178.624 176.600 0.279 0.000 1.049 390 K CA 1.614 58.028 56.287 0.213 0.000 0.933 390 K CB -0.398 32.190 32.500 0.146 0.000 0.717 390 K HN 0.509 nan 8.250 nan 0.000 0.442 391 Y N 1.124 121.539 120.300 0.191 0.000 2.181 391 Y HA -0.180 4.370 4.550 0.001 0.000 0.288 391 Y C 1.730 177.736 175.900 0.176 0.000 1.146 391 Y CA 1.740 59.952 58.100 0.186 0.000 1.164 391 Y CB -0.043 38.496 38.460 0.132 0.000 0.982 391 Y HN 0.016 nan 8.280 nan 0.000 0.515 392 I N 0.103 120.895 120.570 0.370 0.000 2.208 392 I HA -0.351 3.819 4.170 0.001 0.000 0.245 392 I C 2.289 178.503 176.117 0.162 0.000 1.097 392 I CA 1.661 63.123 61.300 0.270 0.000 1.363 392 I CB -0.332 37.896 38.000 0.379 0.000 1.051 392 I HN 0.212 nan 8.210 nan 0.000 0.413 393 K N 0.235 120.766 120.400 0.218 0.000 2.031 393 K HA -0.171 4.149 4.320 0.001 0.000 0.205 393 K C 2.163 178.809 176.600 0.075 0.000 1.049 393 K CA 1.252 57.632 56.287 0.155 0.000 0.939 393 K CB -0.180 32.448 32.500 0.213 0.000 0.717 393 K HN 0.369 nan 8.250 nan 0.000 0.438 394 Q N 0.398 120.232 119.800 0.056 0.000 2.084 394 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 394 Q C 1.834 177.798 176.000 -0.060 0.000 0.978 394 Q CA 1.042 56.848 55.803 0.005 0.000 0.844 394 Q CB 0.128 28.874 28.738 0.013 0.000 0.898 394 Q HN 0.221 nan 8.270 nan 0.000 0.426 395 Q N 0.122 119.830 119.800 -0.154 0.000 2.403 395 Q HA 0.004 4.344 4.340 0.001 0.000 0.203 395 Q C -0.242 175.724 176.000 -0.056 0.000 0.932 395 Q CA 0.292 55.991 55.803 -0.173 0.000 0.945 395 Q CB 0.518 29.026 28.738 -0.383 0.000 1.045 395 Q HN 0.398 nan 8.270 nan 0.000 0.511 396 Q N 0.408 120.198 119.800 -0.018 0.000 2.463 396 Q HA -0.188 4.152 4.340 0.001 0.000 0.299 396 Q C -0.609 175.405 176.000 0.023 0.000 1.353 396 Q CA 0.213 56.022 55.803 0.010 0.000 0.828 396 Q CB -1.933 26.812 28.738 0.012 0.000 1.157 396 Q HN 0.351 nan 8.270 nan 0.000 0.436 397 L N -1.643 119.598 121.223 0.030 0.000 2.468 397 L HA 0.269 4.609 4.340 0.001 0.000 0.254 397 L C 1.831 178.724 176.870 0.038 0.000 1.171 397 L CA 0.493 55.365 54.840 0.053 0.000 0.809 397 L CB 0.173 42.284 42.059 0.086 0.000 1.155 397 L HN 0.331 nan 8.230 nan 0.000 0.473 398 G N -0.689 108.155 108.800 0.072 0.000 2.484 398 G HA2 0.351 4.311 3.960 0.001 0.000 0.218 398 G HA3 0.351 4.311 3.960 0.001 0.000 0.218 398 G C 0.561 175.415 174.900 -0.077 0.000 1.130 398 G CA 0.765 45.925 45.100 0.101 0.000 0.784 398 G HN 0.951 nan 8.290 nan 0.000 0.543 399 G N -2.017 106.713 108.800 -0.118 0.000 2.373 399 G HA2 0.365 4.325 3.960 0.001 0.000 0.250 399 G HA3 0.365 4.325 3.960 0.001 0.000 0.250 399 G C -1.725 173.148 174.900 -0.045 0.000 1.304 399 G CA 0.133 45.100 45.100 -0.222 0.000 0.948 399 G HN 0.829 nan 8.290 nan 0.000 0.474 400 V N 1.188 121.114 119.914 0.020 0.000 2.962 400 V HA 0.883 5.004 4.120 0.001 0.000 0.313 400 V C -0.629 175.521 176.094 0.094 0.000 1.099 400 V CA -0.726 61.654 62.300 0.134 0.000 0.971 400 V CB 1.825 33.814 31.823 0.276 0.000 1.028 400 V HN 1.145 nan 8.190 nan 0.000 0.430 401 M N 6.607 126.285 119.600 0.131 0.000 2.530 401 M HA 0.681 5.161 4.480 0.001 0.000 0.307 401 M C -2.049 174.410 176.300 0.264 0.000 1.161 401 M CA -0.537 54.824 55.300 0.102 0.000 0.903 401 M CB 1.958 34.622 32.600 0.107 0.000 1.711 401 M HN 0.758 nan 8.290 nan 0.000 0.451 402 F N 1.878 121.881 119.950 0.090 0.000 2.613 402 F HA 0.751 5.278 4.527 0.000 0.000 0.310 402 F C -2.080 173.770 175.800 0.083 0.000 1.085 402 F CA -1.084 56.900 58.000 -0.026 0.000 0.945 402 F CB 1.194 39.867 39.000 -0.546 0.000 1.298 402 F HN 0.687 nan 8.300 nan 0.000 0.455 403 W N 5.395 126.739 121.300 0.073 0.000 2.475 403 W HA 0.561 5.221 4.660 0.000 0.000 0.320 403 W C -1.938 174.659 176.519 0.131 0.000 1.022 403 W CA -0.673 56.705 57.345 0.055 0.000 1.240 403 W CB 1.424 30.809 29.460 -0.124 0.000 1.328 403 W HN 1.025 nan 8.180 nan 0.000 0.439 404 H N 2.046 120.889 119.070 -0.377 0.000 2.977 404 H HA 0.386 4.942 4.556 0.001 0.000 0.350 404 H C 0.545 175.739 175.328 -0.223 0.000 1.238 404 H CA -0.946 54.781 56.048 -0.535 0.000 1.124 404 H CB 1.260 30.252 29.762 -1.284 0.000 1.866 404 H HN 0.258 nan 8.280 nan 0.000 0.550 405 L N 0.530 121.774 121.223 0.035 0.000 2.051 405 L HA -0.156 4.184 4.340 0.001 0.000 0.214 405 L C 2.487 178.993 176.870 -0.606 0.000 1.076 405 L CA 1.944 56.819 54.840 0.058 0.000 0.758 405 L CB -0.653 41.585 42.059 0.298 0.000 0.890 405 L HN 1.035 nan 8.230 nan 0.000 0.433 406 G N -1.406 106.883 108.800 -0.852 0.000 2.535 406 G HA2 -0.201 3.759 3.960 0.001 0.000 0.218 406 G HA3 -0.201 3.759 3.960 0.001 0.000 0.218 406 G C 1.395 175.888 174.900 -0.678 0.000 1.122 406 G CA 0.213 44.543 45.100 -1.283 0.000 0.769 406 G HN 0.466 nan 8.290 nan 0.000 0.549 407 Q N -0.442 119.013 119.800 -0.575 0.000 2.356 407 Q HA 0.095 4.436 4.340 0.001 0.000 0.205 407 Q C 0.264 176.264 176.000 -0.001 0.000 0.901 407 Q CA -0.439 55.212 55.803 -0.254 0.000 0.938 407 Q CB 0.483 29.066 28.738 -0.257 0.000 1.081 407 Q HN 0.291 nan 8.270 nan 0.000 0.517 408 D N 1.651 122.086 120.400 0.059 0.000 2.360 408 D HA -0.028 4.613 4.640 0.001 0.000 0.242 408 D C -0.087 176.245 176.300 0.053 0.000 1.184 408 D CA -0.118 53.895 54.000 0.021 0.000 0.930 408 D CB 0.655 41.509 40.800 0.090 0.000 1.161 408 D HN 0.094 nan 8.370 nan 0.000 0.447 409 N N 0.744 119.504 118.700 0.099 0.000 2.317 409 N HA 0.007 4.748 4.740 0.001 0.000 0.245 409 N C 0.747 176.311 175.510 0.090 0.000 1.294 409 N CA -0.331 52.770 53.050 0.086 0.000 0.924 409 N CB 0.308 38.852 38.487 0.094 0.000 1.186 409 N HN 0.241 nan 8.380 nan 0.000 0.495 410 R N -0.045 120.505 120.500 0.083 0.000 2.127 410 R HA -0.045 4.295 4.340 0.001 0.000 0.238 410 R C 0.814 177.178 176.300 0.106 0.000 1.134 410 R CA 1.709 57.876 56.100 0.111 0.000 0.975 410 R CB -0.792 29.555 30.300 0.078 0.000 0.865 410 R HN 0.800 nan 8.270 nan 0.000 0.447 411 N N -1.060 117.684 118.700 0.073 0.000 2.467 411 N HA 0.077 4.817 4.740 0.001 0.000 0.184 411 N C 0.198 175.744 175.510 0.060 0.000 1.106 411 N CA 0.490 53.574 53.050 0.057 0.000 0.892 411 N CB 0.435 38.941 38.487 0.033 0.000 0.969 411 N HN 0.397 nan 8.380 nan 0.000 0.454 412 G N 1.448 110.292 108.800 0.073 0.000 2.246 412 G HA2 -0.246 3.715 3.960 0.001 0.000 0.273 412 G HA3 -0.246 3.715 3.960 0.001 0.000 0.273 412 G C 0.232 175.121 174.900 -0.018 0.000 1.055 412 G CA 0.248 45.387 45.100 0.065 0.000 0.851 412 G HN 0.281 nan 8.290 nan 0.000 0.500 413 D N -0.161 120.205 120.400 -0.057 0.000 2.144 413 D HA -0.054 4.587 4.640 0.001 0.000 0.200 413 D C 2.743 178.906 176.300 -0.230 0.000 0.978 413 D CA 0.981 54.911 54.000 -0.116 0.000 0.833 413 D CB -0.000 40.754 40.800 -0.077 0.000 0.961 413 D HN 0.558 nan 8.370 nan 0.000 0.470 414 L N 0.167 121.159 121.223 -0.384 0.000 2.027 414 L HA -0.142 4.198 4.340 0.001 0.000 0.206 414 L C 2.434 179.149 176.870 -0.258 0.000 1.074 414 L CA 0.516 55.058 54.840 -0.497 0.000 0.745 414 L CB -0.436 40.922 42.059 -1.167 0.000 0.898 414 L HN 0.086 nan 8.230 nan 0.000 0.433 415 L N 0.557 121.679 121.223 -0.168 0.000 2.046 415 L HA -0.142 4.198 4.340 0.001 0.000 0.208 415 L C 2.635 179.459 176.870 -0.077 0.000 1.077 415 L CA 2.052 56.866 54.840 -0.044 0.000 0.747 415 L CB -0.793 41.329 42.059 0.105 0.000 0.896 415 L HN 0.135 nan 8.230 nan 0.000 0.432 416 A N -0.381 122.379 122.820 -0.099 0.000 1.940 416 A HA -0.111 4.210 4.320 0.001 0.000 0.219 416 A C 2.462 179.876 177.584 -0.283 0.000 1.176 416 A CA 1.930 53.889 52.037 -0.130 0.000 0.631 416 A CB -1.190 17.749 19.000 -0.103 0.000 0.814 416 A HN 0.624 nan 8.150 nan 0.000 0.446 417 A N -0.234 122.357 122.820 -0.382 0.000 1.877 417 A HA -0.027 4.294 4.320 0.001 0.000 0.216 417 A C 2.176 179.097 177.584 -1.104 0.000 1.186 417 A CA 1.456 53.023 52.037 -0.783 0.000 0.620 417 A CB -0.621 18.041 19.000 -0.563 0.000 0.822 417 A HN 0.469 nan 8.150 nan 0.000 0.443 418 L N -0.539 120.347 121.223 -0.563 0.000 2.012 418 L HA -0.238 4.102 4.340 0.001 0.000 0.210 418 L C 2.464 179.084 176.870 -0.417 0.000 1.073 418 L CA 1.992 56.545 54.840 -0.478 0.000 0.748 418 L CB -0.641 41.299 42.059 -0.198 0.000 0.891 418 L HN 0.540 nan 8.230 nan 0.000 0.431 419 D N -0.103 120.180 120.400 -0.195 0.000 2.117 419 D HA -0.244 4.396 4.640 0.001 0.000 0.197 419 D C 2.325 178.555 176.300 -0.117 0.000 0.987 419 D CA 1.192 55.173 54.000 -0.031 0.000 0.829 419 D CB 0.027 40.830 40.800 0.005 0.000 0.961 419 D HN 0.058 nan 8.370 nan 0.000 0.460 420 R N -1.121 119.192 120.500 -0.312 0.000 2.073 420 R HA -0.191 4.150 4.340 0.001 0.000 0.234 420 R C 1.927 178.066 176.300 -0.267 0.000 1.134 420 R CA 1.383 57.307 56.100 -0.293 0.000 0.952 420 R CB -0.430 29.609 30.300 -0.435 0.000 0.850 420 R HN 0.293 nan 8.270 nan 0.000 0.433 421 Y N -0.551 119.426 120.300 -0.539 0.000 2.333 421 Y HA -0.131 4.419 4.550 0.000 0.000 0.290 421 Y C 1.873 177.656 175.900 -0.195 0.000 1.144 421 Y CA 0.599 58.309 58.100 -0.650 0.000 1.228 421 Y CB -0.428 37.594 38.460 -0.730 0.000 0.985 421 Y HN 0.063 nan 8.280 nan 0.000 0.542 422 F N -0.675 119.352 119.950 0.129 0.000 2.446 422 F HA 0.058 4.585 4.527 0.000 0.000 0.292 422 F C 1.657 177.527 175.800 0.117 0.000 1.096 422 F CA 0.571 58.649 58.000 0.129 0.000 1.438 422 F CB -0.254 38.799 39.000 0.089 0.000 1.107 422 F HN 0.035 nan 8.300 nan 0.000 0.546 423 N N -0.560 118.299 118.700 0.265 0.000 2.239 423 N HA 0.227 4.967 4.740 0.001 0.000 0.208 423 N C 0.441 176.037 175.510 0.145 0.000 1.200 423 N CA 0.285 53.447 53.050 0.187 0.000 0.895 423 N CB 0.455 39.034 38.487 0.154 0.000 1.085 423 N HN -0.006 nan 8.380 nan 0.000 0.500 424 A N 0.905 123.810 122.820 0.141 0.000 2.450 424 A HA 0.563 4.883 4.320 0.001 0.000 0.255 424 A C 1.355 179.033 177.584 0.156 0.000 1.096 424 A CA 0.093 52.208 52.037 0.130 0.000 0.778 424 A CB 0.478 19.547 19.000 0.114 0.000 1.031 424 A HN 0.231 nan 8.150 nan 0.000 0.494 425 A N 2.141 125.028 122.820 0.111 0.000 2.015 425 A HA -0.077 4.244 4.320 0.001 0.000 0.219 425 A C 1.274 178.915 177.584 0.096 0.000 1.163 425 A CA 1.735 53.829 52.037 0.094 0.000 0.646 425 A CB -0.381 18.660 19.000 0.067 0.000 0.806 425 A HN 0.877 nan 8.150 nan 0.000 0.448 426 D N -2.700 117.767 120.400 0.111 0.000 2.336 426 D HA 0.101 4.741 4.640 0.001 0.000 0.228 426 D C -0.089 176.307 176.300 0.160 0.000 1.120 426 D CA -0.306 53.757 54.000 0.105 0.000 0.839 426 D CB -0.495 40.355 40.800 0.083 0.000 0.932 426 D HN 0.415 nan 8.370 nan 0.000 0.509 427 Y N 0.861 121.192 120.300 0.052 0.000 2.364 427 Y HA 0.473 5.023 4.550 0.001 0.000 0.340 427 Y C -1.577 174.349 175.900 0.043 0.000 0.975 427 Y CA -1.558 56.579 58.100 0.062 0.000 1.089 427 Y CB 1.782 40.313 38.460 0.118 0.000 1.192 427 Y HN -0.185 nan 8.280 nan 0.000 0.454 428 D N 4.618 124.618 120.400 -0.667 0.000 2.473 428 D HA 0.166 4.806 4.640 0.001 0.000 0.253 428 D C -0.820 175.078 176.300 -0.670 0.000 1.233 428 D CA -0.539 53.168 54.000 -0.489 0.000 0.908 428 D CB 0.828 41.492 40.800 -0.227 0.000 1.170 428 D HN 0.709 nan 8.370 nan 0.000 0.558 429 D N 1.254 121.297 120.400 -0.595 0.000 2.388 429 D HA -0.027 4.613 4.640 0.001 0.000 0.221 429 D C 1.278 177.475 176.300 -0.172 0.000 1.133 429 D CA -0.028 53.732 54.000 -0.401 0.000 0.831 429 D CB -0.011 40.641 40.800 -0.247 0.000 0.962 429 D HN 0.181 nan 8.370 nan 0.000 0.502 430 S N 0.099 115.717 115.700 -0.137 0.000 2.419 430 S HA -0.231 4.239 4.470 0.001 0.000 0.235 430 S C 1.474 176.048 174.600 -0.044 0.000 1.019 430 S CA 0.806 58.969 58.200 -0.061 0.000 0.982 430 S CB -0.304 62.867 63.200 -0.048 0.000 0.789 430 S HN 0.168 nan 8.310 nan 0.000 0.490 431 Q N 0.365 120.125 119.800 -0.066 0.000 2.247 431 Q HA 0.412 4.752 4.340 0.001 0.000 0.204 431 Q C -0.210 175.776 176.000 -0.024 0.000 0.872 431 Q CA -0.257 55.525 55.803 -0.036 0.000 0.951 431 Q CB 0.005 28.719 28.738 -0.039 0.000 1.099 431 Q HN 0.522 nan 8.270 nan 0.000 0.501 432 L N 2.580 123.776 121.223 -0.046 0.000 2.477 432 L HA 0.090 4.430 4.340 0.001 0.000 0.272 432 L C -0.020 176.902 176.870 0.085 0.000 1.157 432 L CA 0.396 55.218 54.840 -0.030 0.000 0.889 432 L CB 0.423 42.397 42.059 -0.141 0.000 1.158 432 L HN -0.054 nan 8.230 nan 0.000 0.473 433 D N 5.481 125.979 120.400 0.163 0.000 2.316 433 D HA 0.046 4.686 4.640 0.001 0.000 0.245 433 D C 0.769 177.272 176.300 0.338 0.000 1.171 433 D CA -0.396 53.724 54.000 0.199 0.000 0.856 433 D CB 1.107 41.999 40.800 0.153 0.000 1.090 433 D HN 0.577 nan 8.370 nan 0.000 0.476 434 M N 2.488 122.262 119.600 0.290 0.000 2.659 434 M HA 0.121 4.601 4.480 0.001 0.000 0.243 434 M C 1.249 177.672 176.300 0.206 0.000 1.111 434 M CA 0.293 55.818 55.300 0.375 0.000 1.070 434 M CB -1.266 31.549 32.600 0.357 0.000 1.525 434 M HN 0.659 nan 8.290 nan 0.000 0.517 435 G N 0.797 109.666 108.800 0.115 0.000 2.782 435 G HA2 -0.221 3.739 3.960 0.001 0.000 0.228 435 G HA3 -0.221 3.739 3.960 0.001 0.000 0.228 435 G C 0.214 175.070 174.900 -0.074 0.000 1.372 435 G CA 0.071 45.189 45.100 0.031 0.000 0.862 435 G HN 0.420 nan 8.290 nan 0.000 0.547 436 T N -1.614 112.900 114.554 -0.067 0.000 3.215 436 T HA 0.606 4.956 4.350 0.001 0.000 0.271 436 T C 1.260 175.898 174.700 -0.104 0.000 1.012 436 T CA 1.042 63.087 62.100 -0.092 0.000 0.899 436 T CB 0.406 69.249 68.868 -0.041 0.000 1.089 436 T HN 1.962 nan 8.240 nan 0.000 0.552 437 G N 1.566 110.292 108.800 -0.123 0.000 2.664 437 G HA2 0.470 4.431 3.960 0.001 0.000 0.242 437 G HA3 0.470 4.431 3.960 0.001 0.000 0.242 437 G C -0.047 174.808 174.900 -0.076 0.000 1.225 437 G CA -0.818 44.256 45.100 -0.043 0.000 0.849 437 G HN 0.592 nan 8.290 nan 0.000 0.581 438 L N 1.445 122.688 121.223 0.034 0.000 2.410 438 L HA 0.250 4.590 4.340 0.001 0.000 0.273 438 L C 0.519 177.474 176.870 0.142 0.000 1.144 438 L CA -0.615 54.258 54.840 0.054 0.000 0.863 438 L CB 0.236 42.340 42.059 0.076 0.000 1.140 438 L HN 0.346 nan 8.230 nan 0.000 0.463 439 R N 2.219 122.776 120.500 0.096 0.000 2.536 439 R HA 0.265 4.606 4.340 0.001 0.000 0.279 439 R C -0.740 175.712 176.300 0.253 0.000 1.001 439 R CA -0.907 55.325 56.100 0.221 0.000 1.027 439 R CB 0.601 30.975 30.300 0.124 0.000 1.096 439 R HN 0.372 nan 8.270 nan 0.000 0.502 440 Y N 0.976 121.404 120.300 0.214 0.000 2.393 440 Y HA 0.077 4.627 4.550 0.000 0.000 0.338 440 Y C 0.694 176.666 175.900 0.119 0.000 1.029 440 Y CA 0.222 58.426 58.100 0.174 0.000 1.239 440 Y CB 0.837 39.415 38.460 0.197 0.000 1.170 440 Y HN 0.658 nan 8.280 nan 0.000 0.515 441 T N 1.748 116.140 114.554 -0.269 0.000 3.228 441 T HA 0.343 4.693 4.350 0.001 0.000 0.278 441 T C 0.705 175.251 174.700 -0.258 0.000 1.014 441 T CA -0.103 61.896 62.100 -0.168 0.000 0.904 441 T CB -0.387 68.417 68.868 -0.107 0.000 1.110 441 T HN 0.799 nan 8.240 nan 0.000 0.541 442 G N 0.889 109.400 108.800 -0.482 0.000 2.491 442 G HA2 0.474 4.434 3.960 0.001 0.000 0.238 442 G HA3 0.474 4.434 3.960 0.001 0.000 0.238 442 G C -0.737 174.093 174.900 -0.117 0.000 1.277 442 G CA -0.228 44.684 45.100 -0.313 0.000 0.851 442 G HN 0.406 nan 8.290 nan 0.000 0.573 443 V N 1.293 121.105 119.914 -0.170 0.000 2.531 443 V HA 0.716 4.837 4.120 0.001 0.000 0.301 443 V C 0.733 176.685 176.094 -0.237 0.000 1.034 443 V CA -0.283 61.931 62.300 -0.145 0.000 0.865 443 V CB 1.725 33.463 31.823 -0.142 0.000 0.995 443 V HN 1.048 nan 8.190 nan 0.000 0.424 444 G N 4.161 112.837 108.800 -0.206 0.000 2.400 444 G HA2 0.584 4.544 3.960 0.001 0.000 0.333 444 G HA3 0.584 4.544 3.960 0.001 0.000 0.333 444 G C -1.657 172.993 174.900 -0.417 0.000 1.143 444 G CA -1.515 43.365 45.100 -0.367 0.000 0.914 444 G HN 0.527 nan 8.290 nan 0.000 0.480 445 P HA -0.053 nan 4.420 nan 0.000 0.234 445 P C 1.334 178.459 177.300 -0.291 0.000 1.162 445 P CA 1.099 63.880 63.100 -0.531 0.000 0.759 445 P CB 0.280 31.530 31.700 -0.750 0.000 0.813 446 G N 0.275 108.952 108.800 -0.204 0.000 2.986 446 G HA2 -0.062 3.898 3.960 0.001 0.000 0.213 446 G HA3 -0.062 3.898 3.960 0.001 0.000 0.213 446 G C 0.808 175.694 174.900 -0.023 0.000 1.156 446 G CA -0.094 44.977 45.100 -0.047 0.000 0.763 446 G HN 0.394 nan 8.290 nan 0.000 0.547 447 N N 0.465 119.131 118.700 -0.056 0.000 2.598 447 N HA 0.118 4.858 4.740 0.001 0.000 0.295 447 N C -0.581 174.898 175.510 -0.050 0.000 1.729 447 N CA -0.415 52.619 53.050 -0.027 0.000 0.877 447 N CB 0.220 38.714 38.487 0.011 0.000 1.405 447 N HN -0.198 nan 8.380 nan 0.000 0.491 448 L N 1.889 123.073 121.223 -0.066 0.000 2.439 448 L HA 0.459 4.799 4.340 0.001 0.000 0.269 448 L C -1.648 175.190 176.870 -0.054 0.000 1.179 448 L CA -1.277 53.518 54.840 -0.075 0.000 0.828 448 L CB -0.266 41.746 42.059 -0.078 0.000 1.106 448 L HN 0.211 nan 8.230 nan 0.000 0.467 449 P HA 0.189 nan 4.420 nan 0.000 0.276 449 P C -0.329 176.942 177.300 -0.049 0.000 1.244 449 P CA -0.685 62.389 63.100 -0.043 0.000 0.801 449 P CB 1.100 32.777 31.700 -0.038 0.000 1.006 450 I N 1.967 122.511 120.570 -0.044 0.000 2.648 450 I HA 0.153 4.324 4.170 0.001 0.000 0.284 450 I C 0.999 177.092 176.117 -0.039 0.000 1.153 450 I CA 0.674 61.945 61.300 -0.049 0.000 1.426 450 I CB -0.583 37.392 38.000 -0.040 0.000 1.381 450 I HN 0.395 nan 8.210 nan 0.000 0.571 451 M N 4.462 124.037 119.600 -0.041 0.000 2.667 451 M HA 0.422 4.903 4.480 0.001 0.000 0.286 451 M C -0.657 175.634 176.300 -0.016 0.000 1.270 451 M CA -0.610 54.675 55.300 -0.025 0.000 0.826 451 M CB 2.804 35.389 32.600 -0.026 0.000 1.743 451 M HN 0.406 nan 8.290 nan 0.000 0.460 452 T N 1.146 115.700 114.554 0.000 0.000 2.881 452 T HA 0.852 5.202 4.350 0.001 0.000 0.290 452 T C -1.342 173.377 174.700 0.030 0.000 1.000 452 T CA -0.689 61.417 62.100 0.011 0.000 0.978 452 T CB 1.716 70.590 68.868 0.008 0.000 0.997 452 T HN 0.751 nan 8.240 nan 0.000 0.443 453 A N 3.887 126.734 122.820 0.045 0.000 2.612 453 A HA 0.874 5.195 4.320 0.001 0.000 0.293 453 A C -3.135 174.496 177.584 0.078 0.000 1.075 453 A CA -1.664 50.414 52.037 0.068 0.000 0.680 453 A CB 0.745 19.799 19.000 0.089 0.000 1.279 453 A HN 0.566 nan 8.150 nan 0.000 0.411 454 P HA 0.400 nan 4.420 nan 0.000 0.269 454 P C 0.040 177.409 177.300 0.115 0.000 1.209 454 P CA 0.274 63.431 63.100 0.094 0.000 0.776 454 P CB 0.672 32.435 31.700 0.105 0.000 0.876 455 A N 3.022 125.906 122.820 0.107 0.000 2.483 455 A HA 0.085 4.405 4.320 0.001 0.000 0.238 455 A C -0.279 177.400 177.584 0.160 0.000 1.070 455 A CA -0.078 52.042 52.037 0.139 0.000 0.770 455 A CB -0.565 18.503 19.000 0.114 0.000 1.008 455 A HN 0.578 nan 8.150 nan 0.000 0.497 456 Y N 2.223 122.556 120.300 0.056 0.000 2.610 456 Y HA 0.342 4.892 4.550 0.000 0.000 0.332 456 Y C -0.197 175.745 175.900 0.070 0.000 1.201 456 Y CA 0.322 58.399 58.100 -0.039 0.000 1.465 456 Y CB 0.510 38.751 38.460 -0.365 0.000 1.283 456 Y HN 0.353 nan 8.280 nan 0.000 0.563 457 V N 9.415 128.963 119.914 -0.608 0.000 2.326 457 V HA 0.299 4.419 4.120 0.001 0.000 0.281 457 V C -2.171 173.481 176.094 -0.738 0.000 1.015 457 V CA -2.082 59.934 62.300 -0.473 0.000 0.823 457 V CB 1.063 32.772 31.823 -0.190 0.000 1.009 457 V HN 0.748 nan 8.190 nan 0.000 0.436 458 P HA 0.231 nan 4.420 nan 0.000 0.267 458 P C 1.049 178.266 177.300 -0.138 0.000 1.200 458 P CA 1.265 64.210 63.100 -0.258 0.000 0.772 458 P CB 0.683 32.375 31.700 -0.014 0.000 0.855 459 G N 0.793 109.568 108.800 -0.041 0.000 2.176 459 G HA2 -0.207 3.753 3.960 0.001 0.000 0.253 459 G HA3 -0.207 3.753 3.960 0.001 0.000 0.253 459 G C 0.294 175.153 174.900 -0.067 0.000 0.979 459 G CA 0.164 45.245 45.100 -0.031 0.000 0.641 459 G HN 0.621 nan 8.290 nan 0.000 0.530 460 T N 1.486 115.964 114.554 -0.128 0.000 2.909 460 T HA 0.584 4.935 4.350 0.001 0.000 0.286 460 T C 0.164 174.736 174.700 -0.214 0.000 1.002 460 T CA 0.446 62.390 62.100 -0.259 0.000 1.074 460 T CB 1.616 70.178 68.868 -0.512 0.000 0.984 460 T HN 0.173 nan 8.240 nan 0.000 0.495 461 T N 3.159 117.558 114.554 -0.259 0.000 2.758 461 T HA 0.451 4.801 4.350 0.001 0.000 0.285 461 T C -0.939 173.604 174.700 -0.263 0.000 0.981 461 T CA -0.358 61.677 62.100 -0.109 0.000 0.965 461 T CB 0.136 69.005 68.868 0.001 0.000 0.927 461 T HN 0.375 nan 8.240 nan 0.000 0.448 462 Y N 1.465 121.773 120.300 0.012 0.000 2.361 462 Y HA 0.607 5.157 4.550 0.000 0.000 0.332 462 Y C 0.695 176.492 175.900 -0.171 0.000 1.101 462 Y CA -0.965 57.106 58.100 -0.048 0.000 1.137 462 Y CB 1.025 39.486 38.460 0.001 0.000 1.207 462 Y HN 0.770 nan 8.280 nan 0.000 0.463 463 A N 2.319 125.127 122.820 -0.020 0.000 2.272 463 A HA 0.274 4.594 4.320 0.001 0.000 0.275 463 A C -0.186 177.327 177.584 -0.118 0.000 1.096 463 A CA -0.745 51.213 52.037 -0.132 0.000 0.822 463 A CB 0.330 19.263 19.000 -0.112 0.000 1.088 463 A HN 0.799 nan 8.150 nan 0.000 0.495 464 Q N -0.527 119.198 119.800 -0.125 0.000 2.330 464 Q HA 0.361 4.701 4.340 0.001 0.000 0.279 464 Q C 1.107 177.061 176.000 -0.078 0.000 1.024 464 Q CA 1.279 57.018 55.803 -0.107 0.000 0.900 464 Q CB 0.144 28.858 28.738 -0.040 0.000 1.221 464 Q HN 1.794 nan 8.270 nan 0.000 0.396 465 G N 2.042 110.786 108.800 -0.093 0.000 2.179 465 G HA2 -0.315 3.645 3.960 0.001 0.000 0.260 465 G HA3 -0.315 3.645 3.960 0.001 0.000 0.260 465 G C 0.179 175.074 174.900 -0.009 0.000 0.977 465 G CA 0.041 45.117 45.100 -0.041 0.000 0.641 465 G HN 1.006 nan 8.290 nan 0.000 0.533 466 A N -0.205 122.607 122.820 -0.013 0.000 2.445 466 A HA 0.676 4.997 4.320 0.001 0.000 0.242 466 A C 0.326 177.979 177.584 0.115 0.000 1.075 466 A CA 0.430 52.514 52.037 0.080 0.000 0.777 466 A CB 0.370 19.479 19.000 0.183 0.000 1.013 466 A HN 0.964 nan 8.150 nan 0.000 0.493 467 L N 2.150 123.464 121.223 0.153 0.000 2.365 467 L HA 0.691 5.031 4.340 0.001 0.000 0.273 467 L C -0.325 176.650 176.870 0.175 0.000 1.000 467 L CA -0.766 54.179 54.840 0.175 0.000 0.819 467 L CB 1.978 44.106 42.059 0.115 0.000 1.284 467 L HN 0.713 nan 8.230 nan 0.000 0.418 468 V N -0.555 119.468 119.914 0.182 0.000 3.114 468 V HA 0.785 4.905 4.120 0.001 0.000 0.308 468 V C -0.394 175.806 176.094 0.177 0.000 1.168 468 V CA -0.717 61.655 62.300 0.119 0.000 1.015 468 V CB 2.007 33.807 31.823 -0.039 0.000 1.050 468 V HN 0.744 nan 8.190 nan 0.000 0.433 469 S N 1.847 117.656 115.700 0.181 0.000 2.525 469 S HA 0.859 5.329 4.470 0.001 0.000 0.290 469 S C -1.081 173.712 174.600 0.321 0.000 1.152 469 S CA -0.533 57.801 58.200 0.224 0.000 1.072 469 S CB 1.285 64.561 63.200 0.127 0.000 1.027 469 S HN 1.653 nan 8.310 nan 0.000 0.500 470 Y N 1.207 121.634 120.300 0.211 0.000 2.376 470 Y HA 0.241 4.792 4.550 0.000 0.000 0.321 470 Y C -0.471 175.579 175.900 0.249 0.000 1.189 470 Y CA -0.527 57.641 58.100 0.113 0.000 1.069 470 Y CB 1.197 39.521 38.460 -0.226 0.000 1.292 470 Y HN 0.958 nan 8.280 nan 0.000 0.430 471 Q N 4.211 123.809 119.800 -0.336 0.000 2.411 471 Q HA -0.264 4.076 4.340 0.001 0.000 0.305 471 Q C 1.068 177.076 176.000 0.013 0.000 1.273 471 Q CA 1.485 57.168 55.803 -0.201 0.000 0.895 471 Q CB -1.588 26.985 28.738 -0.274 0.000 1.198 471 Q HN 1.534 nan 8.270 nan 0.000 0.470 472 G N -2.191 106.574 108.800 -0.059 0.000 2.195 472 G HA2 -0.321 3.639 3.960 0.001 0.000 0.246 472 G HA3 -0.321 3.639 3.960 0.001 0.000 0.246 472 G C -0.290 174.312 174.900 -0.496 0.000 0.984 472 G CA 0.296 45.238 45.100 -0.263 0.000 0.633 472 G HN 0.385 nan 8.290 nan 0.000 0.525 473 Y N -1.154 119.123 120.300 -0.038 0.000 2.602 473 Y HA 0.670 5.221 4.550 0.001 0.000 0.342 473 Y C 0.265 176.030 175.900 -0.225 0.000 1.029 473 Y CA -1.165 56.776 58.100 -0.264 0.000 1.080 473 Y CB 2.111 40.159 38.460 -0.687 0.000 1.284 473 Y HN 0.089 nan 8.280 nan 0.000 0.485 474 V N 1.273 121.104 119.914 -0.138 0.000 2.427 474 V HA 0.313 4.433 4.120 0.001 0.000 0.286 474 V C -1.255 174.727 176.094 -0.187 0.000 1.034 474 V CA -0.855 61.423 62.300 -0.037 0.000 0.893 474 V CB 0.710 32.525 31.823 -0.014 0.000 0.982 474 V HN 0.648 nan 8.190 nan 0.000 0.452 475 W N 2.707 124.028 121.300 0.034 0.000 2.761 475 W HA 0.711 5.371 4.660 0.000 0.000 0.340 475 W C -0.144 176.503 176.519 0.214 0.000 1.072 475 W CA -0.533 56.860 57.345 0.080 0.000 1.215 475 W CB 1.466 30.899 29.460 -0.045 0.000 1.420 475 W HN 0.434 nan 8.180 nan 0.000 0.519 476 Q N 1.310 121.366 119.800 0.427 0.000 2.365 476 Q HA 0.510 4.850 4.340 0.001 0.000 0.269 476 Q C -0.175 175.855 176.000 0.050 0.000 1.061 476 Q CA -0.611 55.330 55.803 0.230 0.000 0.816 476 Q CB 1.924 30.715 28.738 0.089 0.000 1.325 476 Q HN 0.543 nan 8.270 nan 0.000 0.446 477 T N 0.440 114.825 114.554 -0.283 0.000 2.907 477 T HA 0.296 4.647 4.350 0.001 0.000 0.298 477 T C 0.459 174.918 174.700 -0.401 0.000 1.017 477 T CA -0.485 61.201 62.100 -0.690 0.000 1.118 477 T CB 1.141 69.480 68.868 -0.883 0.000 0.948 477 T HN 0.698 nan 8.240 nan 0.000 0.531 478 K N 1.252 121.355 120.400 -0.496 0.000 2.379 478 K HA 0.226 4.546 4.320 0.001 0.000 0.194 478 K C -0.168 176.486 176.600 0.091 0.000 1.031 478 K CA -0.045 56.149 56.287 -0.155 0.000 1.037 478 K CB 0.261 32.740 32.500 -0.035 0.000 0.824 478 K HN 0.852 nan 8.250 nan 0.000 0.516 479 W N -1.573 119.636 121.300 -0.152 0.000 2.874 479 W HA 0.598 5.258 4.660 0.001 0.000 0.403 479 W C -0.432 176.000 176.519 -0.145 0.000 1.144 479 W CA -1.386 55.890 57.345 -0.116 0.000 1.175 479 W CB -0.107 29.307 29.460 -0.077 0.000 1.483 479 W HN -0.187 nan 8.180 nan 0.000 0.591 480 G N -1.118 107.806 108.800 0.206 0.000 2.531 480 G HA2 0.479 4.440 3.960 0.001 0.000 0.313 480 G HA3 0.479 4.440 3.960 0.001 0.000 0.313 480 G C -1.289 173.678 174.900 0.111 0.000 1.238 480 G CA -0.758 44.332 45.100 -0.017 0.000 0.994 480 G HN 1.000 nan 8.290 nan 0.000 0.493 481 Y N -2.253 118.078 120.300 0.051 0.000 3.389 481 Y HA -0.156 4.395 4.550 0.001 0.000 0.213 481 Y C 0.560 176.491 175.900 0.053 0.000 1.272 481 Y CA -0.376 57.755 58.100 0.053 0.000 1.444 481 Y CB -1.867 36.635 38.460 0.069 0.000 1.445 481 Y HN 0.215 nan 8.280 nan 0.000 0.583 482 I N 1.065 121.674 120.570 0.065 0.000 2.379 482 I HA 0.096 4.266 4.170 0.001 0.000 0.290 482 I C 1.405 177.645 176.117 0.205 0.000 1.063 482 I CA 0.715 62.026 61.300 0.019 0.000 1.351 482 I CB 0.824 38.635 38.000 -0.316 0.000 1.410 482 I HN 0.418 nan 8.210 nan 0.000 0.505 483 T N 0.352 115.028 114.554 0.202 0.000 3.040 483 T HA 0.151 4.501 4.350 0.001 0.000 0.266 483 T C 0.638 175.484 174.700 0.244 0.000 1.005 483 T CA -0.354 61.880 62.100 0.222 0.000 0.906 483 T CB -0.003 68.954 68.868 0.149 0.000 1.082 483 T HN 0.534 nan 8.240 nan 0.000 0.531 484 S N 1.081 116.930 115.700 0.249 0.000 2.654 484 S HA 0.832 5.302 4.470 0.001 0.000 0.283 484 S C 0.224 174.913 174.600 0.149 0.000 1.180 484 S CA -0.799 57.510 58.200 0.182 0.000 1.021 484 S CB 1.356 64.634 63.200 0.129 0.000 1.018 484 S HN 0.587 nan 8.310 nan 0.000 0.532 485 A N 1.806 124.492 122.820 -0.223 0.000 2.304 485 A HA 0.706 5.027 4.320 0.001 0.000 0.271 485 A C -2.623 174.165 177.584 -1.327 0.000 1.091 485 A CA -1.897 49.506 52.037 -1.055 0.000 0.812 485 A CB -0.709 17.749 19.000 -0.902 0.000 1.056 485 A HN 0.668 nan 8.150 nan 0.000 0.489 486 P HA 0.462 nan 4.420 nan 0.000 0.269 486 P C 0.685 177.089 177.300 -1.494 0.000 1.209 486 P CA 1.168 62.863 63.100 -2.341 0.000 0.776 486 P CB 1.008 30.918 31.700 -2.983 0.000 0.876 487 G N 0.552 108.562 108.800 -1.318 0.000 2.384 487 G HA2 -0.038 3.922 3.960 0.001 0.000 0.150 487 G HA3 -0.038 3.922 3.960 0.001 0.000 0.150 487 G C 0.966 175.744 174.900 -0.203 0.000 1.269 487 G CA 0.194 44.922 45.100 -0.621 0.000 1.094 487 G HN 0.387 nan 8.290 nan 0.000 0.467 488 S N 0.048 115.709 115.700 -0.064 0.000 2.419 488 S HA 0.005 4.475 4.470 0.001 0.000 0.233 488 S C 0.875 175.499 174.600 0.039 0.000 1.016 488 S CA 1.734 59.951 58.200 0.028 0.000 0.974 488 S CB -0.418 62.803 63.200 0.036 0.000 0.786 488 S HN 0.955 nan 8.310 nan 0.000 0.492 489 D N 2.408 122.806 120.400 -0.003 0.000 2.581 489 D HA 0.049 4.689 4.640 0.001 0.000 0.238 489 D C 1.378 177.728 176.300 0.085 0.000 1.145 489 D CA 0.757 54.785 54.000 0.047 0.000 0.866 489 D CB 0.775 41.598 40.800 0.040 0.000 1.151 489 D HN 0.326 nan 8.370 nan 0.000 0.500 490 S N 3.048 118.823 115.700 0.125 0.000 2.423 490 S HA -0.301 4.169 4.470 0.001 0.000 0.238 490 S C 1.960 176.556 174.600 -0.007 0.000 1.028 490 S CA 0.894 59.197 58.200 0.172 0.000 1.000 490 S CB -0.422 62.968 63.200 0.317 0.000 0.797 490 S HN 0.577 nan 8.310 nan 0.000 0.487 491 A N -0.006 122.632 122.820 -0.304 0.000 2.066 491 A HA 0.230 4.550 4.320 0.001 0.000 0.218 491 A C 0.480 177.551 177.584 -0.855 0.000 1.157 491 A CA 0.097 51.444 52.037 -1.149 0.000 0.670 491 A CB -0.462 17.804 19.000 -1.224 0.000 0.804 491 A HN 0.695 nan 8.150 nan 0.000 0.453 492 W N -1.287 119.814 121.300 -0.331 0.000 2.551 492 W HA 0.582 5.243 4.660 0.000 0.000 0.330 492 W C -0.539 176.025 176.519 0.075 0.000 1.063 492 W CA -0.862 56.387 57.345 -0.160 0.000 1.222 492 W CB 1.210 30.521 29.460 -0.248 0.000 1.349 492 W HN 0.036 nan 8.180 nan 0.000 0.536 493 L N 4.076 125.524 121.223 0.376 0.000 2.305 493 L HA 0.403 4.743 4.340 0.001 0.000 0.284 493 L C 0.014 176.972 176.870 0.147 0.000 1.013 493 L CA -1.241 53.733 54.840 0.224 0.000 0.819 493 L CB 0.995 43.103 42.059 0.083 0.000 1.227 493 L HN 0.351 nan 8.230 nan 0.000 0.417 494 K N 3.967 124.273 120.400 -0.155 0.000 2.378 494 K HA 0.250 4.570 4.320 0.001 0.000 0.288 494 K C 0.483 176.847 176.600 -0.394 0.000 1.057 494 K CA 0.307 56.166 56.287 -0.713 0.000 0.971 494 K CB 0.572 32.443 32.500 -1.049 0.000 0.975 494 K HN 0.672 nan 8.250 nan 0.000 0.475 495 V N 0.787 120.521 119.914 -0.300 0.000 3.604 495 V HA 0.447 4.567 4.120 0.001 0.000 0.277 495 V C 0.503 176.511 176.094 -0.144 0.000 1.399 495 V CA 0.409 62.604 62.300 -0.175 0.000 1.034 495 V CB 0.412 32.185 31.823 -0.083 0.000 0.824 495 V HN 0.723 nan 8.190 nan 0.000 0.439 496 G N -0.083 108.629 108.800 -0.147 0.000 2.645 496 G HA2 0.655 4.616 3.960 0.001 0.000 0.292 496 G HA3 0.655 4.616 3.960 0.001 0.000 0.292 496 G C -1.654 173.210 174.900 -0.059 0.000 1.415 496 G CA -1.173 43.874 45.100 -0.087 0.000 0.785 496 G HN 0.177 nan 8.290 nan 0.000 0.483 497 R N -0.614 119.833 120.500 -0.087 0.000 2.589 497 R HA 0.608 4.949 4.340 0.001 0.000 0.293 497 R C -0.614 175.589 176.300 -0.162 0.000 0.963 497 R CA -0.709 55.279 56.100 -0.188 0.000 0.905 497 R CB 2.474 32.658 30.300 -0.192 0.000 1.144 497 R HN 0.293 nan 8.270 nan 0.000 0.459 498 V N 2.846 122.637 119.914 -0.204 0.000 2.583 498 V HA 0.241 4.362 4.120 0.001 0.000 0.287 498 V C 0.784 176.807 176.094 -0.118 0.000 1.051 498 V CA -0.221 62.004 62.300 -0.125 0.000 1.010 498 V CB 1.275 33.033 31.823 -0.107 0.000 0.988 498 V HN 0.954 nan 8.190 nan 0.000 0.478 499 A N 0.000 122.774 122.820 -0.076 0.000 2.254 499 A HA 0.000 4.320 4.320 0.001 0.000 0.244 499 A CA 0.000 51.997 52.037 -0.066 0.000 0.836 499 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486