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 1w1v_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 WEYPQAAEVD 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 0.000 174.708 174.700 0.014 0.000 1.109 3 T CA 0.000 62.115 62.100 0.025 0.000 1.349 3 T CB 0.000 68.886 68.868 0.030 0.000 0.612 4 R N 2.157 122.669 120.500 0.020 0.000 2.570 4 R HA 0.183 4.523 4.340 0.001 0.000 0.277 4 R C -0.110 176.159 176.300 -0.053 0.000 1.039 4 R CA -0.195 55.906 56.100 0.002 0.000 1.065 4 R CB 0.404 30.722 30.300 0.030 0.000 0.964 4 R HN 0.282 nan 8.270 nan 0.000 0.428 5 K N 2.404 122.695 120.400 -0.182 0.000 2.270 5 K HA 0.166 4.486 4.320 0.001 0.000 0.276 5 K C -0.252 176.206 176.600 -0.237 0.000 1.023 5 K CA -0.109 55.961 56.287 -0.362 0.000 0.955 5 K CB 1.436 33.313 32.500 -1.039 0.000 0.975 5 K HN 0.717 nan 8.250 nan 0.000 0.471 6 A N 1.893 124.580 122.820 -0.221 0.000 2.407 6 A HA 0.331 4.651 4.320 0.001 0.000 0.248 6 A C -0.307 177.214 177.584 -0.106 0.000 1.082 6 A CA -0.399 51.528 52.037 -0.184 0.000 0.785 6 A CB 0.395 19.057 19.000 -0.564 0.000 1.020 6 A HN 0.356 nan 8.150 nan 0.000 0.489 7 V N 4.170 124.102 119.914 0.031 0.000 2.445 7 V HA 0.262 4.383 4.120 0.001 0.000 0.283 7 V C -0.594 175.540 176.094 0.067 0.000 1.014 7 V CA 0.045 62.426 62.300 0.135 0.000 0.852 7 V CB 0.802 32.773 31.823 0.246 0.000 1.021 7 V HN 0.708 nan 8.190 nan 0.000 0.435 8 I N 4.190 124.706 120.570 -0.091 0.000 2.328 8 I HA 0.620 4.790 4.170 0.001 0.000 0.287 8 I C 0.797 176.549 176.117 -0.610 0.000 1.012 8 I CA -0.194 60.953 61.300 -0.256 0.000 1.195 8 I CB 1.632 39.433 38.000 -0.331 0.000 1.350 8 I HN 0.644 nan 8.210 nan 0.000 0.464 9 G N 5.327 113.701 108.800 -0.710 0.000 2.416 9 G HA2 0.508 4.468 3.960 0.001 0.000 0.324 9 G HA3 0.508 4.468 3.960 0.001 0.000 0.324 9 G C -1.219 173.342 174.900 -0.565 0.000 1.194 9 G CA -0.348 43.971 45.100 -1.301 0.000 0.922 9 G HN 0.328 nan 8.290 nan 0.000 0.467 10 Y N 0.765 120.796 120.300 -0.449 0.000 2.359 10 Y HA 0.279 4.829 4.550 0.001 0.000 0.330 10 Y C -0.196 175.618 175.900 -0.144 0.000 1.143 10 Y CA 0.275 58.255 58.100 -0.201 0.000 1.318 10 Y CB 1.185 39.553 38.460 -0.153 0.000 1.234 10 Y HN 0.528 nan 8.280 nan 0.000 0.522 11 Y N 5.779 126.060 120.300 -0.031 0.000 2.388 11 Y HA 0.382 4.932 4.550 0.001 0.000 0.328 11 Y C -1.705 174.094 175.900 -0.168 0.000 0.963 11 Y CA -1.610 56.503 58.100 0.021 0.000 1.240 11 Y CB 0.327 38.887 38.460 0.167 0.000 1.118 11 Y HN 0.510 nan 8.280 nan 0.000 0.484 12 F N 8.457 127.887 119.950 -0.866 0.000 2.427 12 F HA 0.662 5.190 4.527 0.000 0.000 0.346 12 F C -1.521 173.875 175.800 -0.672 0.000 1.120 12 F CA -1.539 55.977 58.000 -0.805 0.000 1.033 12 F CB 0.824 39.232 39.000 -0.986 0.000 1.126 12 F HN 0.470 nan 8.300 nan 0.000 0.462 13 I N 8.683 128.479 120.570 -1.291 0.000 2.548 13 I HA 0.431 4.601 4.170 0.001 0.000 0.287 13 I C -2.705 172.919 176.117 -0.821 0.000 1.103 13 I CA -2.433 58.348 61.300 -0.866 0.000 1.049 13 I CB 2.110 40.033 38.000 -0.128 0.000 1.232 13 I HN 0.419 nan 8.210 nan 0.000 0.429 14 P HA 0.187 nan 4.420 nan 0.000 0.269 14 P C 0.535 177.810 177.300 -0.042 0.000 1.215 14 P CA -0.146 62.777 63.100 -0.295 0.000 0.780 14 P CB 0.655 32.270 31.700 -0.142 0.000 0.898 15 T N 0.352 114.952 114.554 0.077 0.000 2.737 15 T HA -0.174 4.177 4.350 0.001 0.000 0.269 15 T C 1.535 176.296 174.700 0.102 0.000 1.040 15 T CA 1.787 63.973 62.100 0.144 0.000 1.142 15 T CB -0.807 68.172 68.868 0.185 0.000 0.861 15 T HN 0.634 nan 8.240 nan 0.000 0.456 16 N N 1.339 120.081 118.700 0.069 0.000 2.223 16 N HA -0.163 4.577 4.740 0.001 0.000 0.185 16 N C 1.707 177.255 175.510 0.065 0.000 1.016 16 N CA 1.189 54.275 53.050 0.059 0.000 0.863 16 N CB -0.346 38.166 38.487 0.042 0.000 0.983 16 N HN 0.486 nan 8.380 nan 0.000 0.429 17 Q N 0.181 120.018 119.800 0.062 0.000 2.187 17 Q HA 0.160 4.500 4.340 0.001 0.000 0.199 17 Q C 2.287 178.403 176.000 0.193 0.000 0.957 17 Q CA 0.615 56.476 55.803 0.097 0.000 0.857 17 Q CB 0.147 28.922 28.738 0.061 0.000 0.929 17 Q HN 0.419 nan 8.270 nan 0.000 0.453 18 I N 1.307 121.984 120.570 0.179 0.000 2.142 18 I HA -0.294 3.876 4.170 0.001 0.000 0.240 18 I C 1.605 177.813 176.117 0.152 0.000 1.078 18 I CA 0.926 62.341 61.300 0.192 0.000 1.343 18 I CB -0.285 37.819 38.000 0.173 0.000 1.046 18 I HN 0.207 nan 8.210 nan 0.000 0.405 19 N N 0.959 119.724 118.700 0.108 0.000 2.289 19 N HA -0.131 4.609 4.740 0.001 0.000 0.184 19 N C 0.830 176.389 175.510 0.082 0.000 1.016 19 N CA 1.044 54.139 53.050 0.075 0.000 0.872 19 N CB -0.334 38.190 38.487 0.061 0.000 0.973 19 N HN 0.406 nan 8.380 nan 0.000 0.433 20 N N -0.282 118.476 118.700 0.098 0.000 2.338 20 N HA -0.028 4.713 4.740 0.001 0.000 0.251 20 N C -0.638 174.923 175.510 0.084 0.000 1.199 20 N CA -0.283 52.809 53.050 0.071 0.000 0.879 20 N CB 0.280 38.792 38.487 0.041 0.000 1.159 20 N HN 0.208 nan 8.380 nan 0.000 0.514 21 Y N 2.224 122.537 120.300 0.022 0.000 2.881 21 Y HA -0.057 4.493 4.550 0.001 0.000 0.335 21 Y C 0.550 176.460 175.900 0.016 0.000 1.263 21 Y CA 0.978 59.095 58.100 0.029 0.000 1.572 21 Y CB 0.388 38.870 38.460 0.037 0.000 1.237 21 Y HN -0.114 nan 8.280 nan 0.000 0.568 22 T N 5.250 119.406 114.554 -0.662 0.000 2.932 22 T HA 0.297 4.647 4.350 0.001 0.000 0.318 22 T C -0.435 173.909 174.700 -0.594 0.000 1.265 22 T CA -0.729 61.096 62.100 -0.458 0.000 1.036 22 T CB 1.139 69.886 68.868 -0.201 0.000 1.209 22 T HN 0.745 nan 8.240 nan 0.000 0.484 23 E N 1.841 121.824 120.200 -0.362 0.000 2.499 23 E HA 0.147 4.497 4.350 0.001 0.000 0.199 23 E C 0.606 177.124 176.600 -0.136 0.000 1.016 23 E CA 0.035 56.287 56.400 -0.247 0.000 0.933 23 E CB 0.533 30.153 29.700 -0.132 0.000 1.050 23 E HN 0.723 nan 8.360 nan 0.000 0.462 24 T N -2.461 112.019 114.554 -0.124 0.000 3.275 24 T HA 0.123 4.474 4.350 0.001 0.000 0.298 24 T C -0.119 174.543 174.700 -0.064 0.000 0.988 24 T CA -0.479 61.576 62.100 -0.075 0.000 0.936 24 T CB 0.359 69.194 68.868 -0.055 0.000 1.159 24 T HN -0.152 nan 8.240 nan 0.000 0.519 25 D N 1.835 122.187 120.400 -0.079 0.000 2.328 25 D HA 0.207 4.848 4.640 0.001 0.000 0.243 25 D C 1.302 177.572 176.300 -0.050 0.000 1.324 25 D CA -0.089 53.877 54.000 -0.056 0.000 0.966 25 D CB 1.570 42.338 40.800 -0.053 0.000 1.324 25 D HN 0.182 nan 8.370 nan 0.000 0.549 26 T N -1.015 113.521 114.554 -0.030 0.000 2.977 26 T HA -0.162 4.189 4.350 0.001 0.000 0.271 26 T C 1.681 176.378 174.700 -0.005 0.000 1.105 26 T CA 1.351 63.445 62.100 -0.009 0.000 1.116 26 T CB -0.111 68.763 68.868 0.009 0.000 0.878 26 T HN 0.221 nan 8.240 nan 0.000 0.509 27 S N 0.094 115.786 115.700 -0.013 0.000 2.522 27 S HA 0.104 4.575 4.470 0.001 0.000 0.227 27 S C 1.708 176.301 174.600 -0.011 0.000 0.986 27 S CA 0.248 58.442 58.200 -0.011 0.000 0.929 27 S CB -0.299 62.894 63.200 -0.012 0.000 0.769 27 S HN 0.404 nan 8.310 nan 0.000 0.529 28 V N 0.291 120.194 119.914 -0.019 0.000 2.806 28 V HA 0.318 4.438 4.120 0.001 0.000 0.239 28 V C 0.326 176.411 176.094 -0.016 0.000 1.113 28 V CA 0.427 62.716 62.300 -0.019 0.000 1.137 28 V CB 0.672 32.475 31.823 -0.033 0.000 0.865 28 V HN 0.406 nan 8.190 nan 0.000 0.482 29 V N 1.678 121.571 119.914 -0.035 0.000 2.380 29 V HA 0.297 4.418 4.120 0.001 0.000 0.272 29 V C -1.984 174.119 176.094 0.014 0.000 1.011 29 V CA -0.887 61.402 62.300 -0.018 0.000 0.826 29 V CB 1.335 33.089 31.823 -0.115 0.000 1.040 29 V HN 0.286 nan 8.190 nan 0.000 0.441 30 P HA -0.101 nan 4.420 nan 0.000 0.218 30 P C 0.210 177.645 177.300 0.226 0.000 1.148 30 P CA 1.279 64.447 63.100 0.112 0.000 0.822 30 P CB 0.171 31.935 31.700 0.107 0.000 0.784 31 F N 0.763 120.750 119.950 0.062 0.000 2.769 31 F HA 0.402 4.929 4.527 0.000 0.000 0.358 31 F C -2.672 173.276 175.800 0.248 0.000 1.285 31 F CA -3.134 54.943 58.000 0.127 0.000 1.199 31 F CB 0.795 39.866 39.000 0.118 0.000 1.558 31 F HN -0.194 nan 8.300 nan 0.000 0.583 32 P HA 0.073 nan 4.420 nan 0.000 0.274 32 P C 0.988 178.210 177.300 -0.129 0.000 1.246 32 P CA -0.085 63.020 63.100 0.007 0.000 0.795 32 P CB 1.954 33.573 31.700 -0.134 0.000 1.006 33 V N 1.180 121.151 119.914 0.095 0.000 2.568 33 V HA -0.236 3.885 4.120 0.001 0.000 0.253 33 V C 2.587 178.622 176.094 -0.098 0.000 1.072 33 V CA 2.635 64.874 62.300 -0.102 0.000 1.084 33 V CB -1.804 29.939 31.823 -0.133 0.000 0.676 33 V HN 0.722 nan 8.190 nan 0.000 0.469 34 S N 0.078 115.749 115.700 -0.049 0.000 2.469 34 S HA -0.213 4.258 4.470 0.001 0.000 0.238 34 S C 1.549 176.101 174.600 -0.079 0.000 0.998 34 S CA 1.603 59.777 58.200 -0.044 0.000 0.957 34 S CB -0.901 62.284 63.200 -0.025 0.000 0.764 34 S HN 0.759 nan 8.310 nan 0.000 0.514 35 N N 0.774 119.359 118.700 -0.192 0.000 2.459 35 N HA 0.144 4.885 4.740 0.001 0.000 0.181 35 N C -0.235 175.274 175.510 -0.002 0.000 1.046 35 N CA 0.456 53.417 53.050 -0.149 0.000 0.904 35 N CB -0.061 38.197 38.487 -0.381 0.000 0.964 35 N HN 0.484 nan 8.380 nan 0.000 0.444 36 I N 2.203 122.769 120.570 -0.005 0.000 2.269 36 I HA 0.037 4.208 4.170 0.001 0.000 0.293 36 I C 0.798 176.950 176.117 0.058 0.000 1.106 36 I CA -0.439 60.925 61.300 0.106 0.000 1.248 36 I CB 0.497 38.580 38.000 0.138 0.000 1.444 36 I HN -0.014 nan 8.210 nan 0.000 0.497 37 T N 2.791 117.373 114.554 0.046 0.000 2.788 37 T HA 0.270 4.620 4.350 0.001 0.000 0.280 37 T C -1.775 172.887 174.700 -0.063 0.000 0.984 37 T CA -1.606 60.484 62.100 -0.018 0.000 0.972 37 T CB 1.087 69.946 68.868 -0.016 0.000 1.039 37 T HN 0.201 nan 8.240 nan 0.000 0.530 38 P HA -0.024 nan 4.420 nan 0.000 0.216 38 P C 1.658 178.899 177.300 -0.099 0.000 1.150 38 P CA 1.469 64.350 63.100 -0.365 0.000 0.837 38 P CB -0.330 30.962 31.700 -0.679 0.000 0.786 39 A N 0.050 122.834 122.820 -0.060 0.000 1.877 39 A HA -0.239 4.081 4.320 0.001 0.000 0.216 39 A C 2.065 179.673 177.584 0.038 0.000 1.186 39 A CA 1.837 53.871 52.037 -0.003 0.000 0.620 39 A CB -1.000 17.999 19.000 -0.002 0.000 0.822 39 A HN 0.162 nan 8.150 nan 0.000 0.443 40 K N -0.341 120.094 120.400 0.059 0.000 2.097 40 K HA 0.019 4.339 4.320 0.001 0.000 0.205 40 K C 2.277 178.954 176.600 0.129 0.000 1.050 40 K CA 0.984 57.338 56.287 0.112 0.000 0.938 40 K CB -0.318 32.274 32.500 0.154 0.000 0.718 40 K HN 0.423 nan 8.250 nan 0.000 0.442 41 A N 2.016 124.904 122.820 0.114 0.000 1.972 41 A HA -0.189 4.131 4.320 0.001 0.000 0.219 41 A C 1.805 179.459 177.584 0.117 0.000 1.169 41 A CA 1.492 53.609 52.037 0.133 0.000 0.635 41 A CB -0.257 18.846 19.000 0.173 0.000 0.810 41 A HN 0.199 nan 8.150 nan 0.000 0.446 42 K N -0.742 119.717 120.400 0.099 0.000 2.366 42 K HA -0.048 4.272 4.320 0.001 0.000 0.198 42 K C 1.878 178.531 176.600 0.087 0.000 1.044 42 K CA 1.042 57.381 56.287 0.086 0.000 0.973 42 K CB -0.035 32.506 32.500 0.069 0.000 0.767 42 K HN 0.599 nan 8.250 nan 0.000 0.475 43 Q N 0.151 120.011 119.800 0.100 0.000 2.424 43 Q HA 0.103 4.443 4.340 0.001 0.000 0.204 43 Q C -0.010 176.081 176.000 0.151 0.000 0.933 43 Q CA 0.277 56.147 55.803 0.112 0.000 0.929 43 Q CB 0.314 29.113 28.738 0.103 0.000 1.037 43 Q HN 0.182 nan 8.270 nan 0.000 0.511 44 L N -0.323 120.990 121.223 0.151 0.000 2.344 44 L HA 0.243 4.584 4.340 0.001 0.000 0.272 44 L C 1.152 178.088 176.870 0.110 0.000 1.035 44 L CA -0.236 54.700 54.840 0.160 0.000 0.807 44 L CB 1.599 43.757 42.059 0.164 0.000 1.237 44 L HN 0.046 nan 8.230 nan 0.000 0.442 45 T N -3.536 111.089 114.554 0.118 0.000 3.000 45 T HA 0.231 4.582 4.350 0.001 0.000 0.248 45 T C 0.242 174.874 174.700 -0.114 0.000 1.034 45 T CA 0.151 62.277 62.100 0.044 0.000 1.060 45 T CB 0.057 69.009 68.868 0.140 0.000 0.983 45 T HN 0.526 nan 8.240 nan 0.000 0.482 46 H N -0.552 118.511 119.070 -0.012 0.000 2.894 46 H HA 0.694 5.250 4.556 0.000 0.000 0.367 46 H C -1.394 173.899 175.328 -0.059 0.000 1.144 46 H CA -0.920 55.113 56.048 -0.026 0.000 1.180 46 H CB 1.669 31.388 29.762 -0.071 0.000 1.758 46 H HN 0.137 nan 8.280 nan 0.000 0.541 47 I N 2.198 122.829 120.570 0.102 0.000 2.418 47 I HA 0.230 4.401 4.170 0.001 0.000 0.287 47 I C -0.599 175.532 176.117 0.024 0.000 1.008 47 I CA -0.793 60.536 61.300 0.048 0.000 1.104 47 I CB 1.292 39.371 38.000 0.131 0.000 1.264 47 I HN 0.495 nan 8.210 nan 0.000 0.438 48 N N 6.513 125.103 118.700 -0.183 0.000 2.500 48 N HA 0.207 4.947 4.740 0.001 0.000 0.236 48 N C -0.683 174.776 175.510 -0.084 0.000 1.022 48 N CA -0.275 52.612 53.050 -0.271 0.000 0.935 48 N CB 0.609 38.561 38.487 -0.892 0.000 1.147 48 N HN 0.366 nan 8.380 nan 0.000 0.512 49 F N 2.467 122.428 119.950 0.019 0.000 2.495 49 F HA 0.286 4.813 4.527 0.000 0.000 0.365 49 F C 0.384 176.197 175.800 0.022 0.000 1.090 49 F CA -0.335 57.752 58.000 0.146 0.000 1.235 49 F CB 0.426 39.602 39.000 0.293 0.000 1.119 49 F HN 0.358 nan 8.300 nan 0.000 0.562 50 S N 5.257 120.424 115.700 -0.889 0.000 2.540 50 S HA 0.764 5.234 4.470 0.001 0.000 0.275 50 S C -1.345 172.931 174.600 -0.540 0.000 1.123 50 S CA -0.787 56.948 58.200 -0.775 0.000 0.907 50 S CB 1.534 63.975 63.200 -1.265 0.000 1.081 50 S HN 0.489 nan 8.310 nan 0.000 0.476 51 F N 0.683 120.715 119.950 0.136 0.000 2.576 51 F HA 0.717 5.244 4.527 0.001 0.000 0.313 51 F C -0.353 175.589 175.800 0.237 0.000 1.078 51 F CA -0.882 57.263 58.000 0.242 0.000 0.921 51 F CB 1.636 40.861 39.000 0.375 0.000 1.232 51 F HN 0.527 nan 8.300 nan 0.000 0.459 52 L N 1.108 122.551 121.223 0.366 0.000 2.397 52 L HA 0.585 4.925 4.340 0.001 0.000 0.266 52 L C -0.463 176.520 176.870 0.189 0.000 1.040 52 L CA -0.155 54.744 54.840 0.098 0.000 0.800 52 L CB 1.137 43.108 42.059 -0.147 0.000 1.324 52 L HN 0.615 nan 8.230 nan 0.000 0.469 53 D N -1.408 118.969 120.400 -0.039 0.000 2.798 53 D HA 0.532 5.173 4.640 0.001 0.000 0.308 53 D C -1.493 174.699 176.300 -0.180 0.000 1.187 53 D CA -0.327 53.556 54.000 -0.196 0.000 1.033 53 D CB 1.386 41.753 40.800 -0.721 0.000 1.445 53 D HN 0.242 nan 8.370 nan 0.000 0.550 54 I N 2.199 122.552 120.570 -0.363 0.000 2.418 54 I HA 0.301 4.471 4.170 0.001 0.000 0.287 54 I C -0.108 175.811 176.117 -0.329 0.000 1.008 54 I CA -0.912 60.138 61.300 -0.418 0.000 1.104 54 I CB 1.395 38.835 38.000 -0.934 0.000 1.264 54 I HN 0.327 nan 8.210 nan 0.000 0.438 55 N N 3.487 122.071 118.700 -0.193 0.000 2.418 55 N HA 0.100 4.840 4.740 0.001 0.000 0.283 55 N C 0.925 176.350 175.510 -0.141 0.000 1.267 55 N CA -0.466 52.499 53.050 -0.142 0.000 0.975 55 N CB 0.336 38.782 38.487 -0.068 0.000 1.167 55 N HN 0.527 nan 8.380 nan 0.000 0.581 56 S N -1.932 113.710 115.700 -0.098 0.000 2.474 56 S HA -0.148 4.322 4.470 0.001 0.000 0.235 56 S C 1.089 175.644 174.600 -0.075 0.000 0.997 56 S CA 0.677 58.824 58.200 -0.089 0.000 0.949 56 S CB -0.819 62.345 63.200 -0.060 0.000 0.766 56 S HN 0.734 nan 8.310 nan 0.000 0.517 57 N N 1.256 119.921 118.700 -0.058 0.000 2.461 57 N HA 0.130 4.870 4.740 0.001 0.000 0.188 57 N C -0.134 175.349 175.510 -0.044 0.000 1.134 57 N CA 0.333 53.361 53.050 -0.037 0.000 0.878 57 N CB -0.185 38.294 38.487 -0.014 0.000 0.972 57 N HN 0.413 nan 8.380 nan 0.000 0.456 58 L N 0.266 121.436 121.223 -0.088 0.000 3.730 58 L HA -0.218 4.123 4.340 0.001 0.000 0.410 58 L C -1.005 175.864 176.870 -0.002 0.000 1.234 58 L CA 0.738 55.506 54.840 -0.120 0.000 0.911 58 L CB -1.943 40.049 42.059 -0.111 0.000 1.942 58 L HN 0.288 nan 8.230 nan 0.000 0.860 59 E N -0.609 119.611 120.200 0.033 0.000 2.336 59 E HA 0.412 4.762 4.350 0.001 0.000 0.267 59 E C -0.356 176.325 176.600 0.134 0.000 0.906 59 E CA -0.790 55.696 56.400 0.144 0.000 0.781 59 E CB 2.719 32.462 29.700 0.071 0.000 1.261 59 E HN 0.278 nan 8.360 nan 0.000 0.436 60 C N 1.930 121.343 119.300 0.188 0.000 2.653 60 C HA 0.636 5.096 4.460 0.001 0.000 0.421 60 C C 0.032 175.047 174.990 0.042 0.000 1.334 60 C CA 0.222 59.321 59.018 0.135 0.000 1.885 60 C CB -1.516 26.287 27.740 0.105 0.000 2.645 60 C HN 0.663 nan 8.230 nan 0.000 0.601 61 A N 4.908 127.723 122.820 -0.009 0.000 2.608 61 A HA 0.664 4.985 4.320 0.001 0.000 0.292 61 A C -1.477 176.095 177.584 -0.020 0.000 1.066 61 A CA -0.669 51.379 52.037 0.018 0.000 0.676 61 A CB 0.160 19.194 19.000 0.056 0.000 1.277 61 A HN 0.924 nan 8.150 nan 0.000 0.413 62 W N 0.882 122.176 121.300 -0.010 0.000 2.161 62 W HA 0.424 5.084 4.660 0.001 0.000 0.344 62 W C 0.613 177.159 176.519 0.046 0.000 1.262 62 W CA 0.858 58.219 57.345 0.027 0.000 1.270 62 W CB 0.500 29.955 29.460 -0.009 0.000 1.126 62 W HN 0.746 nan 8.180 nan 0.000 0.598 63 D N 2.294 122.913 120.400 0.365 0.000 2.493 63 D HA -0.036 4.604 4.640 0.001 0.000 0.240 63 D C -1.415 175.026 176.300 0.235 0.000 1.142 63 D CA -1.154 53.009 54.000 0.271 0.000 0.872 63 D CB 1.176 42.200 40.800 0.374 0.000 1.173 63 D HN -0.019 nan 8.370 nan 0.000 0.467 64 P HA -0.109 nan 4.420 nan 0.000 0.218 64 P C 0.659 178.025 177.300 0.110 0.000 1.146 64 P CA 1.581 64.753 63.100 0.120 0.000 0.813 64 P CB 0.107 31.859 31.700 0.087 0.000 0.778 65 A N -1.663 121.234 122.820 0.128 0.000 2.238 65 A HA 0.054 4.374 4.320 0.001 0.000 0.208 65 A C 0.910 178.553 177.584 0.099 0.000 1.177 65 A CA 0.524 52.625 52.037 0.107 0.000 0.804 65 A CB -1.156 17.914 19.000 0.117 0.000 0.823 65 A HN 0.118 nan 8.150 nan 0.000 0.482 66 T N 1.967 116.592 114.554 0.119 0.000 2.870 66 T HA 0.072 4.422 4.350 0.001 0.000 0.300 66 T C 0.278 174.968 174.700 -0.016 0.000 0.989 66 T CA -0.333 61.810 62.100 0.073 0.000 1.139 66 T CB 0.284 69.211 68.868 0.099 0.000 0.920 66 T HN 0.408 nan 8.240 nan 0.000 0.537 67 N N 2.556 121.236 118.700 -0.033 0.000 2.405 67 N HA -0.020 4.721 4.740 0.001 0.000 0.260 67 N C 0.747 176.169 175.510 -0.146 0.000 1.152 67 N CA -0.077 52.938 53.050 -0.059 0.000 0.948 67 N CB 1.086 39.553 38.487 -0.032 0.000 1.111 67 N HN 0.639 nan 8.380 nan 0.000 0.485 68 D N 3.789 124.094 120.400 -0.160 0.000 2.117 68 D HA -0.103 4.538 4.640 0.001 0.000 0.197 68 D C 1.674 177.850 176.300 -0.208 0.000 0.987 68 D CA 1.712 55.569 54.000 -0.238 0.000 0.829 68 D CB 0.234 40.946 40.800 -0.147 0.000 0.961 68 D HN 0.659 nan 8.370 nan 0.000 0.460 69 A N 0.401 123.138 122.820 -0.138 0.000 1.902 69 A HA -0.174 4.146 4.320 0.001 0.000 0.217 69 A C 2.105 179.609 177.584 -0.134 0.000 1.181 69 A CA 1.285 53.249 52.037 -0.122 0.000 0.623 69 A CB -0.401 18.549 19.000 -0.083 0.000 0.818 69 A HN 0.066 nan 8.150 nan 0.000 0.443 70 K N -0.075 120.253 120.400 -0.121 0.000 2.148 70 K HA -0.009 4.312 4.320 0.001 0.000 0.204 70 K C 2.237 178.726 176.600 -0.185 0.000 1.050 70 K CA 1.228 57.452 56.287 -0.104 0.000 0.942 70 K CB -0.734 31.744 32.500 -0.037 0.000 0.724 70 K HN 0.462 nan 8.250 nan 0.000 0.446 71 A N 1.602 124.251 122.820 -0.286 0.000 1.877 71 A HA -0.169 4.151 4.320 0.001 0.000 0.216 71 A C 2.241 179.603 177.584 -0.370 0.000 1.186 71 A CA 1.362 53.113 52.037 -0.476 0.000 0.620 71 A CB -0.403 17.917 19.000 -1.133 0.000 0.822 71 A HN 0.251 nan 8.150 nan 0.000 0.443 72 R N -0.627 119.717 120.500 -0.261 0.000 2.096 72 R HA -0.162 4.178 4.340 0.001 0.000 0.235 72 R C 1.990 178.171 176.300 -0.199 0.000 1.127 72 R CA 1.628 57.633 56.100 -0.159 0.000 0.968 72 R CB -0.426 29.784 30.300 -0.150 0.000 0.861 72 R HN 0.742 nan 8.270 nan 0.000 0.440 73 D N -0.014 120.267 120.400 -0.197 0.000 2.117 73 D HA -0.124 4.517 4.640 0.001 0.000 0.198 73 D C 1.729 177.863 176.300 -0.277 0.000 0.982 73 D CA 0.983 54.868 54.000 -0.191 0.000 0.828 73 D CB 0.207 40.923 40.800 -0.141 0.000 0.967 73 D HN -0.064 nan 8.370 nan 0.000 0.464 74 V N -0.028 119.665 119.914 -0.369 0.000 2.295 74 V HA -0.224 3.897 4.120 0.001 0.000 0.246 74 V C 2.599 178.491 176.094 -0.335 0.000 1.049 74 V CA 1.410 63.426 62.300 -0.473 0.000 1.024 74 V CB -0.441 31.153 31.823 -0.381 0.000 0.648 74 V HN 0.194 nan 8.190 nan 0.000 0.447 75 V N 0.786 120.496 119.914 -0.340 0.000 2.332 75 V HA -0.264 3.856 4.120 0.001 0.000 0.248 75 V C 2.327 178.250 176.094 -0.286 0.000 1.055 75 V CA 2.174 64.246 62.300 -0.380 0.000 1.038 75 V CB -0.961 30.566 31.823 -0.494 0.000 0.651 75 V HN 0.581 nan 8.190 nan 0.000 0.450 76 N N 0.423 118.977 118.700 -0.244 0.000 2.149 76 N HA -0.163 4.578 4.740 0.001 0.000 0.188 76 N C 1.934 177.354 175.510 -0.151 0.000 1.019 76 N CA 1.348 54.287 53.050 -0.186 0.000 0.857 76 N CB -0.392 38.002 38.487 -0.155 0.000 0.997 76 N HN 0.515 nan 8.380 nan 0.000 0.426 77 R N 0.377 120.779 120.500 -0.163 0.000 2.120 77 R HA 0.033 4.373 4.340 0.001 0.000 0.234 77 R C 2.194 178.428 176.300 -0.111 0.000 1.123 77 R CA 0.690 56.718 56.100 -0.121 0.000 0.975 77 R CB -0.260 29.963 30.300 -0.129 0.000 0.866 77 R HN 0.224 nan 8.270 nan 0.000 0.446 78 L N -0.025 121.111 121.223 -0.145 0.000 2.044 78 L HA -0.118 4.222 4.340 0.001 0.000 0.205 78 L C 2.653 179.492 176.870 -0.052 0.000 1.075 78 L CA 1.633 56.415 54.840 -0.098 0.000 0.747 78 L CB -0.704 41.305 42.059 -0.083 0.000 0.903 78 L HN 0.339 nan 8.230 nan 0.000 0.435 79 T N -2.689 111.816 114.554 -0.081 0.000 2.962 79 T HA -0.061 4.290 4.350 0.001 0.000 0.270 79 T C 1.818 176.477 174.700 -0.069 0.000 1.088 79 T CA 0.792 62.854 62.100 -0.064 0.000 1.127 79 T CB -0.264 68.544 68.868 -0.099 0.000 0.883 79 T HN 0.285 nan 8.240 nan 0.000 0.493 80 A N 1.475 124.248 122.820 -0.079 0.000 2.067 80 A HA 0.246 4.566 4.320 0.001 0.000 0.219 80 A C 2.302 179.821 177.584 -0.108 0.000 1.158 80 A CA 0.782 52.765 52.037 -0.090 0.000 0.661 80 A CB -0.838 18.120 19.000 -0.070 0.000 0.801 80 A HN 0.576 nan 8.150 nan 0.000 0.452 81 L N -0.930 120.270 121.223 -0.039 0.000 2.265 81 L HA -0.167 4.174 4.340 0.001 0.000 0.215 81 L C 2.249 179.095 176.870 -0.039 0.000 1.117 81 L CA 1.187 56.047 54.840 0.033 0.000 0.782 81 L CB -0.363 41.752 42.059 0.093 0.000 0.914 81 L HN 0.343 nan 8.230 nan 0.000 0.441 82 K N 0.201 120.561 120.400 -0.067 0.000 2.280 82 K HA -0.123 4.197 4.320 0.001 0.000 0.202 82 K C 2.165 178.692 176.600 -0.121 0.000 1.047 82 K CA 1.021 57.270 56.287 -0.063 0.000 0.942 82 K CB -0.167 32.304 32.500 -0.048 0.000 0.739 82 K HN 0.306 nan 8.250 nan 0.000 0.457 83 A N 0.494 123.164 122.820 -0.250 0.000 2.019 83 A HA -0.169 4.151 4.320 0.001 0.000 0.219 83 A C 1.241 178.644 177.584 -0.302 0.000 1.164 83 A CA 1.330 53.182 52.037 -0.308 0.000 0.644 83 A CB -0.556 18.188 19.000 -0.426 0.000 0.805 83 A HN 0.411 nan 8.150 nan 0.000 0.449 84 H N -2.143 116.929 119.070 0.004 0.000 2.575 84 H HA 0.172 4.728 4.556 0.000 0.000 0.267 84 H C 0.020 175.356 175.328 0.013 0.000 0.966 84 H CA 0.453 56.507 56.048 0.010 0.000 1.165 84 H CB 0.324 30.096 29.762 0.016 0.000 1.433 84 H HN 0.459 nan 8.280 nan 0.000 0.544 85 N N 0.254 118.996 118.700 0.071 0.000 2.699 85 N HA 0.039 4.780 4.740 0.001 0.000 0.271 85 N C -2.465 173.052 175.510 0.012 0.000 1.216 85 N CA -1.806 51.276 53.050 0.053 0.000 0.844 85 N CB 1.414 39.944 38.487 0.071 0.000 1.462 85 N HN -0.150 nan 8.380 nan 0.000 0.555 86 P HA 0.013 nan 4.420 nan 0.000 0.231 86 P C 0.259 177.546 177.300 -0.021 0.000 1.158 86 P CA 0.626 63.718 63.100 -0.013 0.000 0.763 86 P CB 0.467 32.161 31.700 -0.010 0.000 0.805 87 S N -0.812 114.878 115.700 -0.016 0.000 2.511 87 S HA 0.096 4.567 4.470 0.001 0.000 0.214 87 S C 0.758 175.314 174.600 -0.074 0.000 0.997 87 S CA -0.432 57.747 58.200 -0.034 0.000 0.908 87 S CB -0.370 62.822 63.200 -0.013 0.000 0.803 87 S HN 0.089 nan 8.310 nan 0.000 0.504 88 L N 3.319 124.512 121.223 -0.051 0.000 2.453 88 L HA 0.257 4.597 4.340 0.001 0.000 0.272 88 L C -0.014 176.804 176.870 -0.086 0.000 1.182 88 L CA 0.570 55.371 54.840 -0.066 0.000 0.858 88 L CB 0.209 42.267 42.059 -0.002 0.000 1.120 88 L HN 0.015 nan 8.230 nan 0.000 0.474 89 R N 5.612 126.025 120.500 -0.145 0.000 2.599 89 R HA 0.550 4.890 4.340 0.001 0.000 0.295 89 R C -1.161 175.176 176.300 0.063 0.000 0.963 89 R CA -0.936 55.131 56.100 -0.056 0.000 0.883 89 R CB 1.686 31.914 30.300 -0.121 0.000 1.171 89 R HN 0.494 nan 8.270 nan 0.000 0.450 90 I N 4.702 125.367 120.570 0.158 0.000 2.307 90 I HA 0.243 4.413 4.170 0.001 0.000 0.287 90 I C 0.201 176.550 176.117 0.386 0.000 1.054 90 I CA -0.306 61.150 61.300 0.259 0.000 1.218 90 I CB 0.760 38.921 38.000 0.269 0.000 1.398 90 I HN 0.508 nan 8.210 nan 0.000 0.475 91 M N 6.392 126.153 119.600 0.268 0.000 2.283 91 M HA 0.432 4.913 4.480 0.001 0.000 0.314 91 M C -0.292 176.045 176.300 0.061 0.000 1.153 91 M CA -0.435 54.965 55.300 0.165 0.000 1.084 91 M CB 1.133 33.764 32.600 0.053 0.000 1.468 91 M HN 0.373 nan 8.290 nan 0.000 0.474 92 F N -1.106 118.630 119.950 -0.357 0.000 2.532 92 F HA 0.733 5.261 4.527 0.001 0.000 0.321 92 F C -0.625 175.043 175.800 -0.219 0.000 1.089 92 F CA -0.986 56.679 58.000 -0.559 0.000 0.926 92 F CB 0.939 39.045 39.000 -1.489 0.000 1.168 92 F HN 0.400 nan 8.300 nan 0.000 0.459 93 S N 4.154 119.827 115.700 -0.045 0.000 2.462 93 S HA 0.635 5.105 4.470 0.001 0.000 0.294 93 S C -0.368 174.419 174.600 0.313 0.000 1.144 93 S CA -0.582 57.672 58.200 0.089 0.000 1.088 93 S CB 0.901 64.273 63.200 0.287 0.000 1.009 93 S HN 0.572 nan 8.310 nan 0.000 0.484 94 I N 3.210 123.934 120.570 0.258 0.000 2.321 94 I HA 0.627 4.797 4.170 0.001 0.000 0.291 94 I C 0.974 177.334 176.117 0.406 0.000 0.998 94 I CA 0.032 61.541 61.300 0.348 0.000 1.227 94 I CB 0.813 38.979 38.000 0.276 0.000 1.368 94 I HN 0.927 nan 8.210 nan 0.000 0.466 95 G N 4.282 113.316 108.800 0.390 0.000 2.436 95 G HA2 0.322 4.282 3.960 0.001 0.000 0.205 95 G HA3 0.322 4.282 3.960 0.001 0.000 0.205 95 G C 0.025 174.637 174.900 -0.480 0.000 1.188 95 G CA 0.052 45.199 45.100 0.079 0.000 1.267 95 G HN 1.479 nan 8.290 nan 0.000 0.536 96 G N -1.867 106.505 108.800 -0.713 0.000 2.707 96 G HA2 0.082 4.042 3.960 0.001 0.000 0.686 96 G HA3 0.082 4.042 3.960 0.001 0.000 0.686 96 G C 0.721 175.213 174.900 -0.680 0.000 1.315 96 G CA 0.491 44.873 45.100 -1.197 0.000 0.832 96 G HN 1.918 nan 8.290 nan 0.000 0.573 97 W N 0.342 121.219 121.300 -0.705 0.000 2.333 97 W HA -0.190 4.470 4.660 0.001 0.000 0.316 97 W C 2.092 178.372 176.519 -0.399 0.000 1.215 97 W CA 2.656 59.689 57.345 -0.520 0.000 1.278 97 W CB -0.374 28.813 29.460 -0.455 0.000 1.154 97 W HN 0.708 nan 8.180 nan 0.000 0.486 98 Y N 0.558 120.612 120.300 -0.410 0.000 2.114 98 Y HA -0.349 4.202 4.550 0.001 0.000 0.282 98 Y C 2.418 178.075 175.900 -0.405 0.000 1.165 98 Y CA 2.753 60.608 58.100 -0.409 0.000 1.148 98 Y CB -1.264 36.959 38.460 -0.395 0.000 0.972 98 Y HN -0.078 nan 8.280 nan 0.000 0.504 99 Y N -0.779 119.271 120.300 -0.416 0.000 2.286 99 Y HA -0.067 4.484 4.550 0.001 0.000 0.293 99 Y C 2.822 178.373 175.900 -0.583 0.000 1.124 99 Y CA 1.200 59.035 58.100 -0.442 0.000 1.178 99 Y CB -0.899 37.442 38.460 -0.198 0.000 1.010 99 Y HN 0.285 nan 8.280 nan 0.000 0.536 100 S N -0.324 115.009 115.700 -0.611 0.000 2.539 100 S HA 0.085 4.556 4.470 0.001 0.000 0.221 100 S C 0.361 174.580 174.600 -0.634 0.000 0.987 100 S CA -0.390 57.289 58.200 -0.869 0.000 0.929 100 S CB -1.170 61.279 63.200 -1.250 0.000 0.832 100 S HN 0.483 nan 8.310 nan 0.000 0.492 101 N N 1.708 119.872 118.700 -0.894 0.000 2.381 101 N HA 0.066 4.806 4.740 0.001 0.000 0.241 101 N C 0.234 175.292 175.510 -0.753 0.000 1.279 101 N CA 0.100 52.501 53.050 -1.082 0.000 0.896 101 N CB 0.183 37.290 38.487 -2.300 0.000 1.118 101 N HN -0.169 nan 8.380 nan 0.000 0.438 102 D N 0.330 120.308 120.400 -0.702 0.000 2.172 102 D HA -0.165 4.475 4.640 0.001 0.000 0.196 102 D C 1.120 177.024 176.300 -0.661 0.000 0.999 102 D CA 1.472 54.924 54.000 -0.914 0.000 0.856 102 D CB -0.130 40.397 40.800 -0.454 0.000 0.934 102 D HN 0.553 nan 8.370 nan 0.000 0.453 103 L N -0.204 120.743 121.223 -0.461 0.000 2.653 103 L HA 0.290 4.630 4.340 0.001 0.000 0.231 103 L C 1.287 177.961 176.870 -0.327 0.000 1.153 103 L CA -0.499 54.157 54.840 -0.307 0.000 0.933 103 L CB 0.246 42.184 42.059 -0.201 0.000 1.175 103 L HN -0.111 nan 8.230 nan 0.000 0.473 104 G N -0.039 108.499 108.800 -0.436 0.000 2.539 104 G HA2 0.278 4.238 3.960 0.001 0.000 0.258 104 G HA3 0.278 4.238 3.960 0.001 0.000 0.258 104 G C 1.225 175.933 174.900 -0.321 0.000 1.202 104 G CA -0.006 44.812 45.100 -0.470 0.000 0.851 104 G HN 0.018 nan 8.290 nan 0.000 0.556 105 V N -1.043 118.647 119.914 -0.372 0.000 2.568 105 V HA -0.089 4.032 4.120 0.001 0.000 0.253 105 V C 1.800 177.822 176.094 -0.120 0.000 1.072 105 V CA 2.298 64.473 62.300 -0.209 0.000 1.084 105 V CB -0.339 31.375 31.823 -0.182 0.000 0.676 105 V HN 0.430 nan 8.190 nan 0.000 0.469 106 S N -1.393 114.242 115.700 -0.109 0.000 2.629 106 S HA 0.203 4.673 4.470 0.001 0.000 0.236 106 S C 1.446 176.032 174.600 -0.023 0.000 1.010 106 S CA 0.102 58.266 58.200 -0.060 0.000 0.981 106 S CB -0.539 62.639 63.200 -0.037 0.000 0.919 106 S HN 0.809 nan 8.310 nan 0.000 0.514 107 H N 2.444 121.392 119.070 -0.203 0.000 2.321 107 H HA -0.197 4.359 4.556 0.001 0.000 0.295 107 H C 2.174 177.392 175.328 -0.183 0.000 1.102 107 H CA 1.908 57.799 56.048 -0.260 0.000 1.266 107 H CB -0.109 29.491 29.762 -0.268 0.000 1.363 107 H HN 0.469 nan 8.280 nan 0.000 0.492 108 A N 1.245 123.965 122.820 -0.166 0.000 1.940 108 A HA -0.236 4.085 4.320 0.001 0.000 0.219 108 A C 2.240 179.654 177.584 -0.283 0.000 1.176 108 A CA 1.752 53.666 52.037 -0.205 0.000 0.631 108 A CB -0.431 18.511 19.000 -0.097 0.000 0.814 108 A HN 0.555 nan 8.150 nan 0.000 0.446 109 N N -1.026 117.508 118.700 -0.277 0.000 2.166 109 N HA -0.160 4.581 4.740 0.001 0.000 0.186 109 N C 1.440 176.581 175.510 -0.614 0.000 1.019 109 N CA 1.648 54.471 53.050 -0.379 0.000 0.856 109 N CB -0.629 37.632 38.487 -0.377 0.000 0.993 109 N HN 0.663 nan 8.380 nan 0.000 0.426 110 Y N 0.940 120.771 120.300 -0.782 0.000 2.163 110 Y HA -0.055 4.495 4.550 0.001 0.000 0.288 110 Y C 2.509 177.797 175.900 -1.020 0.000 1.136 110 Y CA 0.572 57.964 58.100 -1.180 0.000 1.147 110 Y CB -0.747 36.519 38.460 -1.989 0.000 0.987 110 Y HN -0.185 nan 8.280 nan 0.000 0.509 111 V N 0.467 119.983 119.914 -0.663 0.000 2.343 111 V HA -0.330 3.791 4.120 0.001 0.000 0.247 111 V C 1.580 177.583 176.094 -0.152 0.000 1.051 111 V CA 2.394 64.549 62.300 -0.242 0.000 1.036 111 V CB -0.765 30.941 31.823 -0.195 0.000 0.654 111 V HN 0.488 nan 8.190 nan 0.000 0.451 112 N N 0.140 118.710 118.700 -0.217 0.000 2.300 112 N HA -0.024 4.716 4.740 0.001 0.000 0.179 112 N C 1.866 177.277 175.510 -0.165 0.000 1.016 112 N CA 0.976 53.935 53.050 -0.151 0.000 0.876 112 N CB -0.283 38.117 38.487 -0.144 0.000 0.979 112 N HN 0.465 nan 8.380 nan 0.000 0.432 113 A N 0.869 123.515 122.820 -0.290 0.000 1.972 113 A HA -0.080 4.241 4.320 0.001 0.000 0.219 113 A C 2.088 179.570 177.584 -0.170 0.000 1.169 113 A CA 1.311 53.166 52.037 -0.304 0.000 0.635 113 A CB -0.566 18.032 19.000 -0.671 0.000 0.810 113 A HN 0.253 nan 8.150 nan 0.000 0.446 114 V N -3.434 116.414 119.914 -0.110 0.000 3.633 114 V HA 0.163 4.283 4.120 0.001 0.000 0.283 114 V C 1.473 177.608 176.094 0.069 0.000 1.305 114 V CA 0.873 63.202 62.300 0.049 0.000 1.153 114 V CB -0.483 31.467 31.823 0.213 0.000 0.950 114 V HN 0.406 nan 8.190 nan 0.000 0.432 115 K N 1.797 122.214 120.400 0.027 0.000 2.026 115 K HA 0.002 4.322 4.320 0.001 0.000 0.208 115 K C 1.175 177.796 176.600 0.035 0.000 1.048 115 K CA 1.825 58.131 56.287 0.033 0.000 0.929 115 K CB -0.129 32.377 32.500 0.008 0.000 0.713 115 K HN 0.788 nan 8.250 nan 0.000 0.439 116 T N -3.494 111.078 114.554 0.029 0.000 2.888 116 T HA 0.265 4.615 4.350 0.001 0.000 0.288 116 T C -2.478 172.243 174.700 0.035 0.000 1.063 116 T CA -2.000 60.117 62.100 0.029 0.000 1.010 116 T CB 1.873 70.753 68.868 0.020 0.000 1.214 116 T HN -0.296 nan 8.240 nan 0.000 0.533 117 P HA 0.008 nan 4.420 nan 0.000 0.216 117 P C 1.617 178.937 177.300 0.032 0.000 1.150 117 P CA 1.594 64.713 63.100 0.031 0.000 0.837 117 P CB -0.268 31.447 31.700 0.024 0.000 0.786 118 A N 0.054 122.890 122.820 0.026 0.000 1.873 118 A HA -0.186 4.135 4.320 0.001 0.000 0.215 118 A C 2.414 180.018 177.584 0.034 0.000 1.186 118 A CA 2.372 54.424 52.037 0.025 0.000 0.616 118 A CB -1.655 17.355 19.000 0.017 0.000 0.823 118 A HN 0.326 nan 8.150 nan 0.000 0.442 119 S N -0.091 115.628 115.700 0.033 0.000 2.382 119 S HA -0.184 4.286 4.470 0.001 0.000 0.228 119 S C 2.025 176.678 174.600 0.089 0.000 1.027 119 S CA 1.240 59.464 58.200 0.039 0.000 0.991 119 S CB -0.492 62.712 63.200 0.008 0.000 0.823 119 S HN 0.592 nan 8.310 nan 0.000 0.469 120 R N 1.343 121.899 120.500 0.093 0.000 2.092 120 R HA 0.099 4.439 4.340 0.001 0.000 0.231 120 R C 2.791 179.168 176.300 0.128 0.000 1.119 120 R CA 1.226 57.415 56.100 0.148 0.000 0.970 120 R CB -0.780 29.586 30.300 0.110 0.000 0.864 120 R HN 0.589 nan 8.270 nan 0.000 0.440 121 A N 1.560 124.423 122.820 0.071 0.000 1.902 121 A HA -0.212 4.108 4.320 0.001 0.000 0.217 121 A C 2.083 179.688 177.584 0.034 0.000 1.181 121 A CA 1.508 53.568 52.037 0.038 0.000 0.623 121 A CB -0.360 18.654 19.000 0.025 0.000 0.818 121 A HN 0.225 nan 8.150 nan 0.000 0.443 122 K N -1.511 118.922 120.400 0.055 0.000 2.026 122 K HA -0.172 4.148 4.320 0.001 0.000 0.208 122 K C 1.836 178.479 176.600 0.072 0.000 1.048 122 K CA 1.760 58.077 56.287 0.051 0.000 0.929 122 K CB -0.358 32.175 32.500 0.054 0.000 0.713 122 K HN 0.392 nan 8.250 nan 0.000 0.439 123 F N 1.293 121.225 119.950 -0.030 0.000 2.102 123 F HA -0.068 4.459 4.527 0.001 0.000 0.298 123 F C 1.952 177.741 175.800 -0.018 0.000 1.105 123 F CA 1.425 59.401 58.000 -0.040 0.000 1.239 123 F CB -0.704 38.260 39.000 -0.060 0.000 0.991 123 F HN 0.087 nan 8.300 nan 0.000 0.474 124 A N -0.030 122.627 122.820 -0.271 0.000 1.933 124 A HA -0.212 4.108 4.320 0.001 0.000 0.218 124 A C 2.147 179.585 177.584 -0.243 0.000 1.175 124 A CA 1.734 53.560 52.037 -0.351 0.000 0.628 124 A CB -0.868 18.054 19.000 -0.130 0.000 0.814 124 A HN 0.601 nan 8.150 nan 0.000 0.444 125 Q N 0.062 119.781 119.800 -0.135 0.000 2.124 125 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 125 Q C 2.449 178.392 176.000 -0.095 0.000 0.977 125 Q CA 1.901 57.651 55.803 -0.088 0.000 0.850 125 Q CB -0.219 28.493 28.738 -0.043 0.000 0.901 125 Q HN 0.874 nan 8.270 nan 0.000 0.429 126 S N -0.696 114.934 115.700 -0.115 0.000 2.402 126 S HA -0.145 4.326 4.470 0.001 0.000 0.229 126 S C 2.125 176.670 174.600 -0.090 0.000 1.021 126 S CA 0.958 59.113 58.200 -0.074 0.000 0.974 126 S CB -0.643 62.539 63.200 -0.030 0.000 0.800 126 S HN 0.419 nan 8.310 nan 0.000 0.484 127 C N 1.334 120.504 119.300 -0.216 0.000 2.432 127 C HA 0.027 4.487 4.460 0.001 0.000 0.277 127 C C 2.797 177.817 174.990 0.050 0.000 1.249 127 C CA 0.777 59.746 59.018 -0.081 0.000 1.725 127 C CB -1.370 26.192 27.740 -0.297 0.000 2.028 127 C HN 0.543 nan 8.230 nan 0.000 0.477 128 V N 0.769 120.654 119.914 -0.048 0.000 2.515 128 V HA -0.181 3.939 4.120 0.001 0.000 0.250 128 V C 2.593 178.668 176.094 -0.031 0.000 1.058 128 V CA 1.888 64.161 62.300 -0.046 0.000 1.064 128 V CB -0.806 30.963 31.823 -0.089 0.000 0.675 128 V HN 0.504 nan 8.190 nan 0.000 0.461 129 R N -0.001 120.486 120.500 -0.022 0.000 2.066 129 R HA -0.115 4.225 4.340 0.001 0.000 0.232 129 R C 2.309 178.633 176.300 0.040 0.000 1.131 129 R CA 1.560 57.658 56.100 -0.004 0.000 0.955 129 R CB -0.143 30.159 30.300 0.002 0.000 0.851 129 R HN 0.334 nan 8.270 nan 0.000 0.432 130 I N 1.000 121.604 120.570 0.057 0.000 2.226 130 I HA -0.320 3.851 4.170 0.001 0.000 0.245 130 I C 2.544 178.726 176.117 0.109 0.000 1.100 130 I CA 1.356 62.719 61.300 0.104 0.000 1.374 130 I CB -0.867 37.042 38.000 -0.152 0.000 1.057 130 I HN 0.422 nan 8.210 nan 0.000 0.413 131 M N 0.537 120.172 119.600 0.059 0.000 2.073 131 M HA -0.262 4.218 4.480 0.001 0.000 0.258 131 M C 2.207 178.588 176.300 0.135 0.000 1.070 131 M CA 1.921 57.358 55.300 0.228 0.000 1.103 131 M CB -0.138 32.619 32.600 0.261 0.000 1.321 131 M HN 0.019 nan 8.290 nan 0.000 0.405 132 K N 0.074 120.481 120.400 0.012 0.000 2.103 132 K HA -0.129 4.192 4.320 0.001 0.000 0.204 132 K C 1.662 178.226 176.600 -0.060 0.000 1.052 132 K CA 1.339 57.603 56.287 -0.037 0.000 0.945 132 K CB -0.839 31.619 32.500 -0.069 0.000 0.722 132 K HN 0.434 nan 8.250 nan 0.000 0.443 133 D N -0.143 120.219 120.400 -0.064 0.000 2.117 133 D HA -0.150 4.490 4.640 0.001 0.000 0.197 133 D C 1.399 177.436 176.300 -0.438 0.000 0.987 133 D CA 1.234 55.092 54.000 -0.235 0.000 0.829 133 D CB 0.076 40.730 40.800 -0.244 0.000 0.961 133 D HN 0.209 nan 8.370 nan 0.000 0.460 134 Y N -1.135 119.087 120.300 -0.130 0.000 2.478 134 Y HA 0.310 4.860 4.550 0.000 0.000 0.261 134 Y C 1.792 177.402 175.900 -0.484 0.000 1.127 134 Y CA 0.521 58.441 58.100 -0.299 0.000 1.288 134 Y CB 0.817 39.108 38.460 -0.281 0.000 1.084 134 Y HN 0.094 nan 8.280 nan 0.000 0.530 135 G N -0.540 108.125 108.800 -0.225 0.000 2.131 135 G HA2 -0.251 3.709 3.960 0.001 0.000 0.201 135 G HA3 -0.251 3.709 3.960 0.001 0.000 0.201 135 G C -0.150 174.674 174.900 -0.127 0.000 1.000 135 G CA -0.581 44.409 45.100 -0.182 0.000 0.680 135 G HN 0.110 nan 8.290 nan 0.000 0.514 136 F N 0.596 120.612 119.950 0.110 0.000 2.403 136 F HA 0.468 4.995 4.527 0.000 0.000 0.320 136 F C 1.325 177.264 175.800 0.232 0.000 1.176 136 F CA -0.279 57.834 58.000 0.187 0.000 1.206 136 F CB 0.622 39.815 39.000 0.322 0.000 1.235 136 F HN -0.034 nan 8.300 nan 0.000 0.565 137 D N 0.076 120.771 120.400 0.492 0.000 2.398 137 D HA 0.303 4.944 4.640 0.001 0.000 0.210 137 D C 0.580 177.140 176.300 0.434 0.000 1.094 137 D CA 0.405 54.665 54.000 0.434 0.000 0.839 137 D CB 0.816 41.770 40.800 0.256 0.000 0.963 137 D HN 0.628 nan 8.370 nan 0.000 0.506 138 G N -0.382 108.635 108.800 0.362 0.000 2.356 138 G HA2 0.359 4.319 3.960 0.001 0.000 0.294 138 G HA3 0.359 4.319 3.960 0.001 0.000 0.294 138 G C -1.828 173.064 174.900 -0.014 0.000 1.423 138 G CA -0.573 44.652 45.100 0.207 0.000 0.806 138 G HN -0.073 nan 8.290 nan 0.000 0.527 139 V N 0.540 120.347 119.914 -0.178 0.000 2.495 139 V HA 0.646 4.767 4.120 0.001 0.000 0.298 139 V C -0.951 174.939 176.094 -0.339 0.000 1.031 139 V CA -0.461 61.511 62.300 -0.547 0.000 0.871 139 V CB 1.773 33.359 31.823 -0.394 0.000 0.988 139 V HN 0.889 nan 8.190 nan 0.000 0.432 140 D N 3.788 123.944 120.400 -0.407 0.000 2.502 140 D HA 0.581 5.221 4.640 0.001 0.000 0.249 140 D C -0.926 175.353 176.300 -0.036 0.000 1.092 140 D CA -0.286 53.632 54.000 -0.137 0.000 0.839 140 D CB 1.424 42.174 40.800 -0.084 0.000 1.264 140 D HN 0.446 nan 8.370 nan 0.000 0.511 141 I N 2.920 123.547 120.570 0.095 0.000 2.378 141 I HA 0.289 4.459 4.170 0.001 0.000 0.291 141 I C -0.676 175.609 176.117 0.280 0.000 0.992 141 I CA -0.756 60.683 61.300 0.231 0.000 1.154 141 I CB 1.800 39.993 38.000 0.321 0.000 1.315 141 I HN 0.308 nan 8.210 nan 0.000 0.448 142 D N 6.096 126.662 120.400 0.278 0.000 2.683 142 D HA 0.086 4.727 4.640 0.001 0.000 0.309 142 D C -0.763 175.549 176.300 0.021 0.000 1.238 142 D CA -0.212 53.890 54.000 0.171 0.000 0.936 142 D CB 0.433 41.359 40.800 0.210 0.000 1.001 142 D HN 0.334 nan 8.370 nan 0.000 0.505 143 W N 2.031 123.220 121.300 -0.185 0.000 2.388 143 W HA 0.255 4.915 4.660 0.001 0.000 0.308 143 W C -0.317 175.815 176.519 -0.644 0.000 1.263 143 W CA -0.782 56.300 57.345 -0.439 0.000 1.286 143 W CB 0.371 29.650 29.460 -0.302 0.000 1.294 143 W HN 0.090 nan 8.180 nan 0.000 0.493 144 E N 6.569 126.484 120.200 -0.476 0.000 2.400 144 E HA 0.216 4.566 4.350 0.001 0.000 0.232 144 E C -1.462 174.723 176.600 -0.693 0.000 0.988 144 E CA -0.249 55.330 56.400 -1.369 0.000 0.823 144 E CB 0.645 29.675 29.700 -1.117 0.000 1.246 144 E HN 0.264 nan 8.360 nan 0.000 0.441 145 Y N 0.488 120.713 120.300 -0.125 0.000 2.597 145 Y HA 0.330 4.880 4.550 0.001 0.000 0.340 145 Y C -2.392 173.069 175.900 -0.732 0.000 1.097 145 Y CA -2.689 55.176 58.100 -0.392 0.000 1.037 145 Y CB 1.446 39.845 38.460 -0.100 0.000 1.305 145 Y HN 0.230 nan 8.280 nan 0.000 0.463 146 P HA 0.161 nan 4.420 nan 0.000 0.274 146 P C -1.415 175.639 177.300 -0.410 0.000 1.231 146 P CA -0.201 62.098 63.100 -1.335 0.000 0.790 146 P CB 1.499 31.962 31.700 -2.062 0.000 0.951 147 Q N 1.075 120.762 119.800 -0.189 0.000 2.615 147 Q HA 0.650 4.991 4.340 0.001 0.000 0.298 147 Q C -0.030 175.962 176.000 -0.014 0.000 1.023 147 Q CA -0.906 54.875 55.803 -0.037 0.000 0.768 147 Q CB 1.069 29.825 28.738 0.030 0.000 1.500 147 Q HN 0.425 nan 8.270 nan 0.000 0.441 148 A N 0.822 123.644 122.820 0.004 0.000 5.395 148 A HA -0.370 3.950 4.320 0.001 0.000 0.332 148 A C 1.579 179.174 177.584 0.018 0.000 1.754 148 A CA 2.753 54.797 52.037 0.012 0.000 0.716 148 A CB -2.215 16.799 19.000 0.023 0.000 1.411 148 A HN 1.800 nan 8.150 nan 0.000 0.398 149 A N -1.254 121.584 122.820 0.030 0.000 2.125 149 A HA 0.046 4.366 4.320 0.001 0.000 0.219 149 A C 1.652 179.266 177.584 0.051 0.000 1.156 149 A CA 2.077 54.138 52.037 0.039 0.000 0.671 149 A CB -0.739 18.285 19.000 0.041 0.000 0.794 149 A HN 0.755 nan 8.150 nan 0.000 0.459 150 E N -0.508 119.721 120.200 0.047 0.000 2.285 150 E HA -0.046 4.305 4.350 0.001 0.000 0.194 150 E C 1.755 178.371 176.600 0.027 0.000 0.997 150 E CA 0.786 57.225 56.400 0.065 0.000 0.845 150 E CB -0.119 29.617 29.700 0.059 0.000 0.782 150 E HN 0.424 nan 8.360 nan 0.000 0.491 151 V N 1.887 121.797 119.914 -0.007 0.000 2.343 151 V HA -0.258 3.862 4.120 0.001 0.000 0.247 151 V C 1.591 177.761 176.094 0.127 0.000 1.051 151 V CA 1.940 64.263 62.300 0.038 0.000 1.036 151 V CB -0.411 31.438 31.823 0.043 0.000 0.654 151 V HN 0.205 nan 8.190 nan 0.000 0.451 152 D N 0.780 121.233 120.400 0.089 0.000 2.144 152 D HA -0.113 4.527 4.640 0.001 0.000 0.199 152 D C 2.213 178.574 176.300 0.101 0.000 0.984 152 D CA 1.631 55.680 54.000 0.082 0.000 0.834 152 D CB -0.598 40.237 40.800 0.058 0.000 0.955 152 D HN 0.470 nan 8.370 nan 0.000 0.465 153 G N -0.028 108.847 108.800 0.125 0.000 2.402 153 G HA2 -0.268 3.693 3.960 0.001 0.000 0.216 153 G HA3 -0.268 3.693 3.960 0.001 0.000 0.216 153 G C 1.483 176.507 174.900 0.206 0.000 1.162 153 G CA 0.331 45.517 45.100 0.145 0.000 0.777 153 G HN 0.240 nan 8.290 nan 0.000 0.539 154 F N 1.549 121.539 119.950 0.067 0.000 2.095 154 F HA -0.036 4.491 4.527 0.001 0.000 0.298 154 F C 2.454 178.284 175.800 0.049 0.000 1.104 154 F CA 1.172 59.218 58.000 0.076 0.000 1.232 154 F CB -0.360 38.590 39.000 -0.084 0.000 0.987 154 F HN 0.108 nan 8.300 nan 0.000 0.475 155 I N 0.365 120.947 120.570 0.020 0.000 2.163 155 I HA -0.347 3.823 4.170 0.001 0.000 0.243 155 I C 2.677 178.748 176.117 -0.077 0.000 1.085 155 I CA 1.480 62.715 61.300 -0.107 0.000 1.347 155 I CB -0.938 37.059 38.000 -0.005 0.000 1.044 155 I HN 0.256 nan 8.210 nan 0.000 0.408 156 A N 0.419 123.239 122.820 0.001 0.000 1.972 156 A HA -0.116 4.205 4.320 0.001 0.000 0.219 156 A C 2.492 180.086 177.584 0.017 0.000 1.169 156 A CA 1.706 53.751 52.037 0.012 0.000 0.635 156 A CB -0.727 18.296 19.000 0.038 0.000 0.810 156 A HN 0.449 nan 8.150 nan 0.000 0.446 157 A N -0.246 122.599 122.820 0.042 0.000 1.898 157 A HA 0.029 4.350 4.320 0.001 0.000 0.216 157 A C 2.128 179.725 177.584 0.020 0.000 1.181 157 A CA 1.322 53.419 52.037 0.100 0.000 0.620 157 A CB -0.519 18.619 19.000 0.230 0.000 0.819 157 A HN 0.458 nan 8.150 nan 0.000 0.442 158 L N -0.775 120.384 121.223 -0.106 0.000 2.083 158 L HA -0.252 4.088 4.340 0.001 0.000 0.209 158 L C 2.881 179.695 176.870 -0.093 0.000 1.083 158 L CA 1.520 56.267 54.840 -0.156 0.000 0.752 158 L CB -0.578 41.286 42.059 -0.324 0.000 0.899 158 L HN 0.493 nan 8.230 nan 0.000 0.433 159 Q N -0.481 119.274 119.800 -0.074 0.000 2.084 159 Q HA -0.255 4.085 4.340 0.001 0.000 0.202 159 Q C 2.096 178.079 176.000 -0.029 0.000 0.978 159 Q CA 1.517 57.292 55.803 -0.046 0.000 0.844 159 Q CB -0.072 28.647 28.738 -0.032 0.000 0.898 159 Q HN 0.303 nan 8.270 nan 0.000 0.426 160 E N 1.144 121.334 120.200 -0.017 0.000 2.072 160 E HA -0.130 4.221 4.350 0.001 0.000 0.191 160 E C 1.676 178.258 176.600 -0.030 0.000 0.985 160 E CA 1.046 57.439 56.400 -0.012 0.000 0.801 160 E CB -0.150 29.556 29.700 0.010 0.000 0.750 160 E HN 0.332 nan 8.360 nan 0.000 0.452 161 I N 0.244 120.787 120.570 -0.046 0.000 2.226 161 I HA -0.257 3.914 4.170 0.001 0.000 0.245 161 I C 2.471 178.560 176.117 -0.046 0.000 1.100 161 I CA 1.133 62.390 61.300 -0.071 0.000 1.374 161 I CB -0.263 37.678 38.000 -0.098 0.000 1.057 161 I HN 0.077 nan 8.210 nan 0.000 0.413 162 R N 1.132 121.609 120.500 -0.038 0.000 2.083 162 R HA -0.155 4.185 4.340 0.001 0.000 0.237 162 R C 2.121 178.416 176.300 -0.009 0.000 1.137 162 R CA 2.378 58.465 56.100 -0.023 0.000 0.951 162 R CB -1.250 29.032 30.300 -0.031 0.000 0.851 162 R HN 0.196 nan 8.270 nan 0.000 0.434 163 T N 1.389 115.936 114.554 -0.012 0.000 2.684 163 T HA -0.081 4.270 4.350 0.001 0.000 0.267 163 T C 1.715 176.415 174.700 -0.000 0.000 1.036 163 T CA 1.705 63.803 62.100 -0.005 0.000 1.148 163 T CB -0.205 68.659 68.868 -0.007 0.000 0.863 163 T HN 0.170 nan 8.240 nan 0.000 0.436 164 L N 0.315 121.530 121.223 -0.012 0.000 2.093 164 L HA -0.007 4.333 4.340 0.001 0.000 0.208 164 L C 2.458 179.327 176.870 -0.001 0.000 1.085 164 L CA 0.985 55.816 54.840 -0.015 0.000 0.755 164 L CB -0.615 41.420 42.059 -0.040 0.000 0.904 164 L HN 0.264 nan 8.230 nan 0.000 0.435 165 L N -0.412 120.816 121.223 0.009 0.000 2.056 165 L HA -0.166 4.175 4.340 0.001 0.000 0.207 165 L C 2.284 179.233 176.870 0.132 0.000 1.078 165 L CA 0.920 55.797 54.840 0.062 0.000 0.749 165 L CB -0.572 41.535 42.059 0.078 0.000 0.901 165 L HN 0.309 nan 8.230 nan 0.000 0.433 166 N N -0.148 118.599 118.700 0.078 0.000 2.166 166 N HA -0.225 4.515 4.740 0.001 0.000 0.186 166 N C 1.837 177.390 175.510 0.072 0.000 1.019 166 N CA 1.013 54.105 53.050 0.071 0.000 0.856 166 N CB -0.202 38.305 38.487 0.034 0.000 0.993 166 N HN 0.256 nan 8.380 nan 0.000 0.426 167 Q N 0.753 120.587 119.800 0.057 0.000 2.123 167 Q HA -0.075 4.266 4.340 0.001 0.000 0.199 167 Q C 1.901 177.947 176.000 0.077 0.000 0.966 167 Q CA 1.401 57.233 55.803 0.049 0.000 0.845 167 Q CB -0.317 28.437 28.738 0.026 0.000 0.907 167 Q HN 0.232 nan 8.270 nan 0.000 0.439 168 Q N -0.683 119.179 119.800 0.102 0.000 2.124 168 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 168 Q C 1.835 178.026 176.000 0.318 0.000 0.977 168 Q CA 2.173 58.064 55.803 0.147 0.000 0.850 168 Q CB -0.555 28.193 28.738 0.016 0.000 0.901 168 Q HN 0.463 nan 8.270 nan 0.000 0.429 169 T N 0.452 115.213 114.554 0.345 0.000 2.684 169 T HA -0.133 4.217 4.350 0.001 0.000 0.267 169 T C 1.670 176.412 174.700 0.071 0.000 1.036 169 T CA 1.590 63.788 62.100 0.164 0.000 1.148 169 T CB -0.253 68.651 68.868 0.059 0.000 0.863 169 T HN 0.279 nan 8.240 nan 0.000 0.436 170 I N 0.853 121.462 120.570 0.066 0.000 2.202 170 I HA -0.160 4.011 4.170 0.001 0.000 0.242 170 I C 2.727 178.869 176.117 0.042 0.000 1.091 170 I CA 1.105 62.427 61.300 0.036 0.000 1.368 170 I CB -0.691 37.326 38.000 0.028 0.000 1.058 170 I HN 0.222 nan 8.210 nan 0.000 0.410 171 T N 0.093 114.684 114.554 0.062 0.000 2.759 171 T HA -0.175 4.176 4.350 0.001 0.000 0.269 171 T C 1.256 175.992 174.700 0.060 0.000 1.042 171 T CA 1.537 63.669 62.100 0.054 0.000 1.140 171 T CB -0.252 68.648 68.868 0.054 0.000 0.864 171 T HN 0.282 nan 8.240 nan 0.000 0.455 172 D N 0.068 120.527 120.400 0.097 0.000 2.340 172 D HA 0.232 4.872 4.640 0.001 0.000 0.220 172 D C 1.433 177.754 176.300 0.034 0.000 1.039 172 D CA 0.432 54.486 54.000 0.091 0.000 0.866 172 D CB -0.294 40.623 40.800 0.196 0.000 0.913 172 D HN 0.448 nan 8.370 nan 0.000 0.523 173 G N 1.678 110.487 108.800 0.016 0.000 2.273 173 G HA2 -0.327 3.634 3.960 0.001 0.000 0.280 173 G HA3 -0.327 3.634 3.960 0.001 0.000 0.280 173 G C 0.855 175.728 174.900 -0.045 0.000 1.047 173 G CA -0.192 44.901 45.100 -0.011 0.000 0.869 173 G HN 0.188 nan 8.290 nan 0.000 0.502 174 R N -0.643 119.808 120.500 -0.083 0.000 2.449 174 R HA 0.157 4.497 4.340 0.001 0.000 0.262 174 R C 2.038 178.241 176.300 -0.160 0.000 1.006 174 R CA 0.208 56.200 56.100 -0.179 0.000 1.104 174 R CB 0.119 30.166 30.300 -0.422 0.000 1.206 174 R HN 0.580 nan 8.270 nan 0.000 0.538 175 Q N 0.138 119.883 119.800 -0.091 0.000 2.248 175 Q HA -0.091 4.249 4.340 0.001 0.000 0.208 175 Q C 1.861 177.820 176.000 -0.068 0.000 0.984 175 Q CA 1.970 57.732 55.803 -0.069 0.000 0.875 175 Q CB -0.132 28.582 28.738 -0.040 0.000 0.910 175 Q HN 0.312 nan 8.270 nan 0.000 0.433 176 A N -0.783 121.995 122.820 -0.071 0.000 2.119 176 A HA 0.113 4.433 4.320 0.001 0.000 0.216 176 A C 0.710 178.252 177.584 -0.070 0.000 1.152 176 A CA 0.489 52.491 52.037 -0.058 0.000 0.708 176 A CB 0.329 19.300 19.000 -0.048 0.000 0.805 176 A HN 0.278 nan 8.150 nan 0.000 0.460 177 L N -0.100 121.057 121.223 -0.110 0.000 2.400 177 L HA 0.351 4.691 4.340 0.001 0.000 0.261 177 L C -2.976 173.771 176.870 -0.205 0.000 1.554 177 L CA -1.558 53.210 54.840 -0.120 0.000 0.774 177 L CB 1.389 43.383 42.059 -0.109 0.000 0.964 177 L HN -0.144 nan 8.230 nan 0.000 0.524 178 P HA 0.042 nan 4.420 nan 0.000 0.266 178 P C -0.927 176.266 177.300 -0.178 0.000 1.193 178 P CA 0.314 63.291 63.100 -0.206 0.000 0.770 178 P CB 0.142 31.795 31.700 -0.077 0.000 0.836 179 Y N 0.767 121.088 120.300 0.035 0.000 2.597 179 Y HA 0.105 4.655 4.550 0.001 0.000 0.336 179 Y C 1.433 177.359 175.900 0.043 0.000 1.216 179 Y CA 0.814 58.945 58.100 0.052 0.000 1.463 179 Y CB 0.051 38.543 38.460 0.053 0.000 1.303 179 Y HN 0.332 nan 8.280 nan 0.000 0.576 180 Q N 1.652 121.587 119.800 0.224 0.000 2.359 180 Q HA 0.680 5.021 4.340 0.001 0.000 0.275 180 Q C -1.680 174.373 176.000 0.089 0.000 1.082 180 Q CA -1.391 54.495 55.803 0.138 0.000 0.849 180 Q CB 2.791 31.639 28.738 0.183 0.000 1.377 180 Q HN 0.544 nan 8.270 nan 0.000 0.452 181 L N 0.707 121.954 121.223 0.040 0.000 2.438 181 L HA 0.600 4.940 4.340 0.001 0.000 0.270 181 L C -1.128 175.744 176.870 0.003 0.000 0.972 181 L CA 0.084 54.922 54.840 -0.004 0.000 0.831 181 L CB 2.119 44.162 42.059 -0.028 0.000 1.273 181 L HN 0.811 nan 8.230 nan 0.000 0.405 182 T N 2.695 117.255 114.554 0.010 0.000 2.838 182 T HA 0.836 5.186 4.350 0.001 0.000 0.292 182 T C -0.375 174.360 174.700 0.058 0.000 1.113 182 T CA -0.586 61.544 62.100 0.048 0.000 1.008 182 T CB 1.612 70.528 68.868 0.080 0.000 1.259 182 T HN 0.870 nan 8.240 nan 0.000 0.520 183 I N -1.981 118.650 120.570 0.102 0.000 2.969 183 I HA 0.890 5.060 4.170 0.001 0.000 0.307 183 I C -0.827 175.398 176.117 0.180 0.000 1.149 183 I CA -1.875 59.519 61.300 0.155 0.000 1.008 183 I CB 1.892 40.010 38.000 0.197 0.000 1.232 183 I HN 0.940 nan 8.210 nan 0.000 0.435 184 A N 2.661 125.610 122.820 0.215 0.000 2.289 184 A HA 0.799 5.120 4.320 0.001 0.000 0.298 184 A C 0.123 177.844 177.584 0.229 0.000 1.208 184 A CA -0.092 52.079 52.037 0.223 0.000 0.845 184 A CB 0.372 19.514 19.000 0.237 0.000 1.125 184 A HN 1.098 nan 8.150 nan 0.000 0.517 185 G N 0.651 109.593 108.800 0.237 0.000 2.454 185 G HA2 0.638 4.599 3.960 0.001 0.000 0.329 185 G HA3 0.638 4.599 3.960 0.001 0.000 0.329 185 G C 0.190 175.287 174.900 0.328 0.000 1.177 185 G CA -0.070 45.231 45.100 0.334 0.000 0.951 185 G HN 1.394 nan 8.290 nan 0.000 0.485 186 A N -0.414 122.600 122.820 0.323 0.000 2.531 186 A HA 0.497 4.817 4.320 0.001 0.000 0.236 186 A C 1.385 179.001 177.584 0.053 0.000 1.062 186 A CA 0.650 52.665 52.037 -0.037 0.000 0.760 186 A CB 0.406 19.143 19.000 -0.438 0.000 0.995 186 A HN 1.489 nan 8.150 nan 0.000 0.501 187 G N 1.115 109.904 108.800 -0.017 0.000 3.192 187 G HA2 0.469 4.429 3.960 0.001 0.000 0.239 187 G HA3 0.469 4.429 3.960 0.001 0.000 0.239 187 G C 0.436 175.327 174.900 -0.015 0.000 1.084 187 G CA 0.622 45.704 45.100 -0.031 0.000 0.784 187 G HN 1.249 nan 8.290 nan 0.000 0.540 188 G N -1.262 107.531 108.800 -0.013 0.000 2.571 188 G HA2 0.535 4.495 3.960 0.001 0.000 0.304 188 G HA3 0.535 4.495 3.960 0.001 0.000 0.304 188 G C 0.746 175.575 174.900 -0.119 0.000 1.314 188 G CA 0.308 45.397 45.100 -0.018 0.000 0.975 188 G HN 0.283 nan 8.290 nan 0.000 0.485 189 A N 1.139 123.825 122.820 -0.223 0.000 1.978 189 A HA 0.057 4.377 4.320 0.001 0.000 0.220 189 A C 1.895 179.171 177.584 -0.513 0.000 1.170 189 A CA 1.517 53.284 52.037 -0.450 0.000 0.636 189 A CB -0.517 18.169 19.000 -0.524 0.000 0.810 189 A HN 0.590 nan 8.150 nan 0.000 0.448 190 F N -1.258 118.562 119.950 -0.218 0.000 2.075 190 F HA -0.109 4.419 4.527 0.001 0.000 0.297 190 F C 2.060 177.623 175.800 -0.394 0.000 1.113 190 F CA 1.553 59.357 58.000 -0.326 0.000 1.218 190 F CB -0.953 37.808 39.000 -0.397 0.000 0.984 190 F HN 0.220 nan 8.300 nan 0.000 0.472 191 F N -0.697 119.183 119.950 -0.116 0.000 2.206 191 F HA -0.084 4.443 4.527 0.000 0.000 0.298 191 F C 2.213 177.702 175.800 -0.518 0.000 1.090 191 F CA 0.555 58.363 58.000 -0.320 0.000 1.323 191 F CB -1.014 37.640 39.000 -0.576 0.000 1.028 191 F HN -0.109 nan 8.300 nan 0.000 0.492 192 L N 0.425 121.427 121.223 -0.370 0.000 2.127 192 L HA -0.215 4.125 4.340 0.001 0.000 0.211 192 L C 2.555 179.016 176.870 -0.682 0.000 1.089 192 L CA 2.045 56.500 54.840 -0.642 0.000 0.757 192 L CB -1.154 40.622 42.059 -0.471 0.000 0.899 192 L HN 0.204 nan 8.230 nan 0.000 0.434 193 S N -1.078 114.325 115.700 -0.494 0.000 2.440 193 S HA -0.229 4.242 4.470 0.001 0.000 0.238 193 S C 2.054 176.482 174.600 -0.288 0.000 1.010 193 S CA 0.939 58.891 58.200 -0.413 0.000 0.972 193 S CB -0.662 62.318 63.200 -0.367 0.000 0.774 193 S HN 0.566 nan 8.310 nan 0.000 0.501 194 R N 0.372 120.715 120.500 -0.261 0.000 2.091 194 R HA -0.096 4.244 4.340 0.001 0.000 0.238 194 R C 1.714 177.989 176.300 -0.042 0.000 1.136 194 R CA 1.936 57.977 56.100 -0.099 0.000 0.959 194 R CB -0.372 29.953 30.300 0.041 0.000 0.856 194 R HN 0.910 nan 8.270 nan 0.000 0.437 195 Y N -5.225 115.034 120.300 -0.069 0.000 2.563 195 Y HA 0.228 4.778 4.550 0.000 0.000 0.250 195 Y C 1.366 177.252 175.900 -0.023 0.000 1.126 195 Y CA -1.215 56.851 58.100 -0.056 0.000 1.231 195 Y CB -0.687 37.728 38.460 -0.075 0.000 1.288 195 Y HN -0.127 nan 8.280 nan 0.000 0.537 196 Y N 2.877 122.920 120.300 -0.429 0.000 2.096 196 Y HA -0.361 4.189 4.550 0.000 0.000 0.278 196 Y C 2.742 178.542 175.900 -0.167 0.000 1.192 196 Y CA 2.645 60.534 58.100 -0.352 0.000 1.143 196 Y CB -0.575 37.616 38.460 -0.448 0.000 0.963 196 Y HN 0.370 nan 8.280 nan 0.000 0.505 197 S N -0.671 114.935 115.700 -0.156 0.000 2.419 197 S HA -0.207 4.263 4.470 0.001 0.000 0.235 197 S C 1.415 175.928 174.600 -0.144 0.000 1.019 197 S CA 1.605 59.681 58.200 -0.207 0.000 0.982 197 S CB -0.433 62.681 63.200 -0.142 0.000 0.789 197 S HN 0.573 nan 8.310 nan 0.000 0.490 198 K N 0.380 120.744 120.400 -0.059 0.000 2.593 198 K HA 0.434 4.754 4.320 0.001 0.000 0.208 198 K C 0.995 177.611 176.600 0.027 0.000 1.051 198 K CA -0.214 56.072 56.287 -0.002 0.000 1.111 198 K CB 0.107 32.635 32.500 0.045 0.000 0.849 198 K HN 0.260 nan 8.250 nan 0.000 0.479 199 L N 0.695 121.900 121.223 -0.031 0.000 2.043 199 L HA -0.270 4.070 4.340 0.001 0.000 0.212 199 L C 2.416 179.306 176.870 0.034 0.000 1.075 199 L CA 1.616 56.473 54.840 0.029 0.000 0.752 199 L CB -0.392 41.605 42.059 -0.105 0.000 0.891 199 L HN 0.357 nan 8.230 nan 0.000 0.432 200 A N -0.727 122.089 122.820 -0.006 0.000 1.908 200 A HA -0.276 4.044 4.320 0.001 0.000 0.218 200 A C 2.123 179.716 177.584 0.015 0.000 1.181 200 A CA 1.723 53.767 52.037 0.012 0.000 0.627 200 A CB -0.454 18.549 19.000 0.006 0.000 0.818 200 A HN 0.533 nan 8.150 nan 0.000 0.445 201 Q N -0.808 119.000 119.800 0.013 0.000 2.172 201 Q HA -0.000 4.340 4.340 0.001 0.000 0.200 201 Q C 1.963 177.959 176.000 -0.008 0.000 0.964 201 Q CA 1.166 56.973 55.803 0.006 0.000 0.855 201 Q CB -0.217 28.528 28.738 0.012 0.000 0.918 201 Q HN 0.749 nan 8.270 nan 0.000 0.444 202 I N -0.257 120.321 120.570 0.014 0.000 2.252 202 I HA -0.208 3.962 4.170 0.001 0.000 0.245 202 I C 1.941 178.044 176.117 -0.022 0.000 1.102 202 I CA 0.811 62.103 61.300 -0.012 0.000 1.385 202 I CB 0.029 38.077 38.000 0.080 0.000 1.064 202 I HN 0.016 nan 8.210 nan 0.000 0.414 203 V N 0.744 120.673 119.914 0.024 0.000 2.951 203 V HA -0.076 4.044 4.120 0.001 0.000 0.255 203 V C 2.600 178.689 176.094 -0.009 0.000 1.088 203 V CA 1.231 63.546 62.300 0.025 0.000 1.109 203 V CB -0.550 31.315 31.823 0.069 0.000 0.724 203 V HN 0.419 nan 8.190 nan 0.000 0.471 204 A N 1.666 124.478 122.820 -0.014 0.000 1.892 204 A HA -0.150 4.170 4.320 0.001 0.000 0.218 204 A C 0.656 178.217 177.584 -0.039 0.000 1.188 204 A CA 2.318 54.341 52.037 -0.023 0.000 0.631 204 A CB -1.754 17.235 19.000 -0.018 0.000 0.822 204 A HN 0.595 nan 8.150 nan 0.000 0.447 205 P HA 0.168 nan 4.420 nan 0.000 0.249 205 P C 0.028 177.290 177.300 -0.063 0.000 1.229 205 P CA 0.329 63.395 63.100 -0.058 0.000 0.788 205 P CB -0.070 31.587 31.700 -0.070 0.000 1.072 206 L N -0.108 121.077 121.223 -0.064 0.000 2.379 206 L HA 0.306 4.647 4.340 0.001 0.000 0.269 206 L C 1.465 178.261 176.870 -0.123 0.000 1.084 206 L CA -0.598 54.201 54.840 -0.069 0.000 0.802 206 L CB 0.731 42.768 42.059 -0.036 0.000 1.175 206 L HN -0.265 nan 8.230 nan 0.000 0.448 207 D N 0.013 120.308 120.400 -0.176 0.000 2.183 207 D HA 0.012 4.652 4.640 0.001 0.000 0.205 207 D C -0.575 175.282 176.300 -0.737 0.000 0.962 207 D CA 1.609 55.352 54.000 -0.428 0.000 0.849 207 D CB 0.461 41.045 40.800 -0.359 0.000 0.978 207 D HN 0.288 nan 8.370 nan 0.000 0.488 208 Y N -0.739 119.549 120.300 -0.020 0.000 2.581 208 Y HA 0.412 4.962 4.550 0.000 0.000 0.337 208 Y C -0.682 175.216 175.900 -0.004 0.000 1.108 208 Y CA -0.965 57.120 58.100 -0.025 0.000 1.033 208 Y CB 2.004 40.418 38.460 -0.075 0.000 1.318 208 Y HN -0.288 nan 8.280 nan 0.000 0.459 209 I N 3.151 123.834 120.570 0.188 0.000 2.382 209 I HA 0.477 4.648 4.170 0.001 0.000 0.286 209 I C -1.338 174.850 176.117 0.119 0.000 1.002 209 I CA -0.623 60.763 61.300 0.143 0.000 1.135 209 I CB 0.628 38.714 38.000 0.143 0.000 1.288 209 I HN 0.585 nan 8.210 nan 0.000 0.448 210 N N 8.840 127.611 118.700 0.119 0.000 2.462 210 N HA 0.341 5.082 4.740 0.001 0.000 0.242 210 N C -0.739 174.829 175.510 0.098 0.000 1.010 210 N CA -0.282 52.826 53.050 0.097 0.000 0.939 210 N CB 1.627 40.184 38.487 0.117 0.000 1.127 210 N HN 0.577 nan 8.380 nan 0.000 0.509 211 L N 2.114 123.358 121.223 0.035 0.000 2.410 211 L HA 0.236 4.576 4.340 0.001 0.000 0.273 211 L C 1.135 177.978 176.870 -0.046 0.000 1.144 211 L CA 0.071 54.904 54.840 -0.012 0.000 0.863 211 L CB 0.384 42.383 42.059 -0.099 0.000 1.140 211 L HN 0.352 nan 8.230 nan 0.000 0.463 212 M N 3.408 122.930 119.600 -0.129 0.000 3.586 212 M HA 0.052 4.532 4.480 0.001 0.000 0.225 212 M C 0.363 176.263 176.300 -0.666 0.000 1.428 212 M CA -0.158 54.828 55.300 -0.523 0.000 1.613 212 M CB -0.424 31.943 32.600 -0.388 0.000 1.063 212 M HN 0.554 nan 8.290 nan 0.000 0.593 213 T N 0.046 114.361 114.554 -0.398 0.000 4.508 213 T HA 0.259 4.610 4.350 0.001 0.000 0.232 213 T C -0.523 174.143 174.700 -0.056 0.000 1.027 213 T CA -0.206 61.791 62.100 -0.171 0.000 0.999 213 T CB -1.150 67.700 68.868 -0.031 0.000 1.402 213 T HN 0.526 nan 8.240 nan 0.000 1.003 214 Y N -3.013 117.348 120.300 0.101 0.000 2.853 214 Y HA 0.551 5.102 4.550 0.000 0.000 0.326 214 Y C -0.347 175.650 175.900 0.161 0.000 1.384 214 Y CA -1.902 56.265 58.100 0.111 0.000 1.077 214 Y CB -0.069 38.445 38.460 0.090 0.000 1.395 214 Y HN 0.096 nan 8.280 nan 0.000 0.451 215 D N 0.095 120.779 120.400 0.474 0.000 2.837 215 D HA -0.158 4.482 4.640 0.001 0.000 0.230 215 D C 0.308 176.858 176.300 0.417 0.000 1.152 215 D CA 1.189 55.479 54.000 0.483 0.000 0.736 215 D CB -0.947 40.096 40.800 0.404 0.000 1.084 215 D HN 0.712 nan 8.370 nan 0.000 0.429 216 L N -1.586 119.799 121.223 0.271 0.000 2.591 216 L HA 0.356 4.697 4.340 0.001 0.000 0.228 216 L C 1.077 178.035 176.870 0.146 0.000 1.133 216 L CA 0.570 55.508 54.840 0.163 0.000 0.880 216 L CB 0.018 42.115 42.059 0.065 0.000 1.033 216 L HN 0.200 nan 8.230 nan 0.000 0.450 217 A N -0.638 122.293 122.820 0.185 0.000 2.572 217 A HA 0.846 5.167 4.320 0.001 0.000 0.295 217 A C -0.449 176.983 177.584 -0.253 0.000 1.072 217 A CA 0.032 52.098 52.037 0.049 0.000 0.691 217 A CB 1.729 20.819 19.000 0.150 0.000 1.291 217 A HN 0.087 nan 8.150 nan 0.000 0.404 218 G N -0.249 108.118 108.800 -0.721 0.000 2.356 218 G HA2 0.576 4.537 3.960 0.001 0.000 0.294 218 G HA3 0.576 4.537 3.960 0.001 0.000 0.294 218 G C -2.650 171.625 174.900 -1.042 0.000 1.423 218 G CA 0.062 44.276 45.100 -1.476 0.000 0.806 218 G HN 0.458 nan 8.290 nan 0.000 0.527 219 P HA -0.077 nan 4.420 nan 0.000 0.221 219 P C 1.387 178.741 177.300 0.090 0.000 1.145 219 P CA 1.602 64.585 63.100 -0.194 0.000 0.795 219 P CB -0.076 31.598 31.700 -0.043 0.000 0.775 220 W N 0.122 121.515 121.300 0.155 0.000 2.721 220 W HA 0.185 4.845 4.660 0.000 0.000 0.245 220 W C 0.187 176.803 176.519 0.162 0.000 1.276 220 W CA -0.127 57.296 57.345 0.130 0.000 1.342 220 W CB -0.918 28.578 29.460 0.061 0.000 1.135 220 W HN -0.203 nan 8.180 nan 0.000 0.654 221 E N 0.770 120.935 120.200 -0.059 0.000 2.191 221 E HA 0.252 4.603 4.350 0.001 0.000 0.274 221 E C 1.173 177.913 176.600 0.233 0.000 0.948 221 E CA 0.101 56.553 56.400 0.086 0.000 0.802 221 E CB 1.662 31.376 29.700 0.023 0.000 1.137 221 E HN 0.113 nan 8.360 nan 0.000 0.397 222 K N 1.445 121.930 120.400 0.143 0.000 2.288 222 K HA 0.053 4.373 4.320 0.001 0.000 0.201 222 K C 0.869 177.521 176.600 0.088 0.000 1.048 222 K CA 0.868 57.203 56.287 0.079 0.000 0.956 222 K CB -0.093 32.398 32.500 -0.015 0.000 0.746 222 K HN 0.244 nan 8.250 nan 0.000 0.461 223 V N 2.321 122.264 119.914 0.048 0.000 2.495 223 V HA 0.320 4.440 4.120 0.001 0.000 0.298 223 V C 0.407 176.392 176.094 -0.182 0.000 1.031 223 V CA -0.706 61.566 62.300 -0.047 0.000 0.871 223 V CB 1.241 33.009 31.823 -0.092 0.000 0.988 223 V HN 0.506 nan 8.190 nan 0.000 0.432 224 T N 1.773 116.062 114.554 -0.441 0.000 2.926 224 T HA 0.483 4.834 4.350 0.001 0.000 0.307 224 T C -0.216 174.088 174.700 -0.660 0.000 1.059 224 T CA -0.204 61.278 62.100 -1.030 0.000 1.122 224 T CB 1.087 69.098 68.868 -1.429 0.000 0.972 224 T HN 0.772 nan 8.240 nan 0.000 0.545 225 N N -0.807 117.577 118.700 -0.526 0.000 3.185 225 N HA 0.166 4.906 4.740 0.001 0.000 0.238 225 N C -1.694 173.784 175.510 -0.054 0.000 1.451 225 N CA -0.718 52.221 53.050 -0.185 0.000 0.888 225 N CB 0.952 39.479 38.487 0.066 0.000 1.413 225 N HN 0.712 nan 8.380 nan 0.000 0.511 226 H N 1.131 120.308 119.070 0.178 0.000 2.764 226 H HA 0.071 4.627 4.556 0.001 0.000 0.341 226 H C 0.401 175.815 175.328 0.143 0.000 1.072 226 H CA 0.445 56.588 56.048 0.157 0.000 1.444 226 H CB 1.151 30.944 29.762 0.051 0.000 1.458 226 H HN 0.582 nan 8.280 nan 0.000 0.572 227 Q N 1.715 121.652 119.800 0.228 0.000 2.424 227 Q HA 0.233 4.573 4.340 0.001 0.000 0.204 227 Q C 0.371 176.482 176.000 0.185 0.000 0.933 227 Q CA 0.690 56.617 55.803 0.207 0.000 0.929 227 Q CB 0.781 29.653 28.738 0.223 0.000 1.037 227 Q HN 0.506 nan 8.270 nan 0.000 0.511 228 A N 0.497 123.410 122.820 0.156 0.000 3.106 228 A HA 0.672 4.993 4.320 0.001 0.000 0.227 228 A C -0.073 177.531 177.584 0.034 0.000 0.920 228 A CA -0.243 51.862 52.037 0.114 0.000 1.088 228 A CB 0.155 19.251 19.000 0.159 0.000 1.233 228 A HN 0.363 nan 8.150 nan 0.000 0.503 229 A N 0.035 122.871 122.820 0.026 0.000 2.540 229 A HA 0.397 4.717 4.320 0.001 0.000 0.239 229 A C 1.192 178.682 177.584 -0.156 0.000 1.061 229 A CA 0.235 52.223 52.037 -0.081 0.000 0.758 229 A CB 0.080 19.061 19.000 -0.033 0.000 0.991 229 A HN 1.332 nan 8.150 nan 0.000 0.502 230 L N 2.949 124.003 121.223 -0.282 0.000 2.023 230 L HA 0.230 4.571 4.340 0.001 0.000 0.205 230 L C 0.186 176.670 176.870 -0.644 0.000 1.073 230 L CA 1.756 56.268 54.840 -0.546 0.000 0.745 230 L CB -0.508 41.127 42.059 -0.706 0.000 0.900 230 L HN 0.607 nan 8.230 nan 0.000 0.435 231 F N -1.111 118.786 119.950 -0.089 0.000 2.594 231 F HA 0.652 5.180 4.527 0.001 0.000 0.335 231 F C 0.951 176.730 175.800 -0.036 0.000 1.058 231 F CA -0.903 57.077 58.000 -0.034 0.000 0.981 231 F CB 0.386 39.377 39.000 -0.014 0.000 1.289 231 F HN -0.101 nan 8.300 nan 0.000 0.490 232 G N -0.339 108.595 108.800 0.224 0.000 2.448 232 G HA2 0.407 4.367 3.960 0.001 0.000 0.285 232 G HA3 0.407 4.367 3.960 0.001 0.000 0.285 232 G C -1.698 173.232 174.900 0.050 0.000 1.176 232 G CA -0.236 44.924 45.100 0.101 0.000 0.852 232 G HN 0.500 nan 8.290 nan 0.000 0.530 233 D N 0.748 121.147 120.400 -0.002 0.000 2.440 233 D HA 0.442 5.083 4.640 0.001 0.000 0.239 233 D C 1.159 177.399 176.300 -0.099 0.000 1.084 233 D CA -0.225 53.758 54.000 -0.028 0.000 0.843 233 D CB 1.510 42.323 40.800 0.022 0.000 1.097 233 D HN 0.307 nan 8.370 nan 0.000 0.531 234 A N 3.470 126.249 122.820 -0.068 0.000 2.131 234 A HA -0.044 4.276 4.320 0.001 0.000 0.220 234 A C 1.891 179.386 177.584 -0.149 0.000 1.158 234 A CA 1.809 53.794 52.037 -0.087 0.000 0.665 234 A CB -0.289 18.681 19.000 -0.050 0.000 0.795 234 A HN 0.601 nan 8.150 nan 0.000 0.460 235 A N -0.611 122.105 122.820 -0.173 0.000 2.123 235 A HA 0.436 4.756 4.320 0.001 0.000 0.214 235 A C 1.472 178.679 177.584 -0.628 0.000 1.152 235 A CA 0.899 52.801 52.037 -0.226 0.000 0.728 235 A CB -0.672 18.310 19.000 -0.030 0.000 0.814 235 A HN 0.680 nan 8.150 nan 0.000 0.464 236 G N 0.072 108.304 108.800 -0.947 0.000 2.557 236 G HA2 0.485 4.445 3.960 0.001 0.000 0.292 236 G HA3 0.485 4.445 3.960 0.001 0.000 0.292 236 G C -2.433 172.085 174.900 -0.636 0.000 1.237 236 G CA -1.307 42.907 45.100 -1.477 0.000 0.978 236 G HN 0.183 nan 8.290 nan 0.000 0.498 237 P HA 0.213 nan 4.420 nan 0.000 0.272 237 P C -0.101 177.032 177.300 -0.278 0.000 1.223 237 P CA 0.066 62.964 63.100 -0.336 0.000 0.784 237 P CB 1.031 32.542 31.700 -0.316 0.000 0.923 238 T N -1.383 112.964 114.554 -0.344 0.000 2.926 238 T HA 0.755 5.106 4.350 0.001 0.000 0.289 238 T C -0.643 173.817 174.700 -0.400 0.000 1.054 238 T CA -0.530 61.443 62.100 -0.211 0.000 1.015 238 T CB 0.981 69.787 68.868 -0.104 0.000 1.167 238 T HN 0.188 nan 8.240 nan 0.000 0.526 239 F N -0.587 119.304 119.950 -0.099 0.000 2.620 239 F HA 0.524 5.051 4.527 0.001 0.000 0.320 239 F C -0.539 175.437 175.800 0.293 0.000 1.069 239 F CA -1.535 56.525 58.000 0.100 0.000 0.953 239 F CB 1.280 40.343 39.000 0.105 0.000 1.322 239 F HN 0.709 nan 8.300 nan 0.000 0.479 240 Y N 2.337 122.911 120.300 0.455 0.000 2.526 240 Y HA 0.143 4.693 4.550 0.001 0.000 0.330 240 Y C 0.313 176.370 175.900 0.262 0.000 1.156 240 Y CA -0.491 57.802 58.100 0.322 0.000 1.419 240 Y CB 0.240 38.891 38.460 0.319 0.000 1.250 240 Y HN 0.449 nan 8.280 nan 0.000 0.540 241 N N 5.095 123.973 118.700 0.297 0.000 2.482 241 N HA 0.140 4.880 4.740 0.001 0.000 0.242 241 N C 0.435 175.894 175.510 -0.085 0.000 1.100 241 N CA 0.579 53.611 53.050 -0.029 0.000 0.946 241 N CB 0.964 39.279 38.487 -0.287 0.000 1.227 241 N HN 0.887 nan 8.380 nan 0.000 0.508 242 A N 4.432 127.120 122.820 -0.220 0.000 2.070 242 A HA -0.074 4.246 4.320 0.001 0.000 0.220 242 A C 2.044 179.367 177.584 -0.435 0.000 1.159 242 A CA 0.762 52.669 52.037 -0.218 0.000 0.656 242 A CB -0.273 18.506 19.000 -0.369 0.000 0.800 242 A HN 0.755 nan 8.150 nan 0.000 0.453 243 L N -1.139 119.616 121.223 -0.780 0.000 2.353 243 L HA -0.147 4.193 4.340 0.001 0.000 0.220 243 L C 2.502 178.669 176.870 -1.172 0.000 1.133 243 L CA 0.844 54.966 54.840 -1.197 0.000 0.798 243 L CB -0.502 40.404 42.059 -1.922 0.000 0.922 243 L HN 0.368 nan 8.230 nan 0.000 0.445 244 R N 0.076 120.122 120.500 -0.756 0.000 2.241 244 R HA -0.103 4.237 4.340 0.001 0.000 0.224 244 R C 1.297 177.505 176.300 -0.153 0.000 1.101 244 R CA 0.694 56.631 56.100 -0.271 0.000 0.995 244 R CB 0.018 30.247 30.300 -0.118 0.000 0.870 244 R HN 0.359 nan 8.270 nan 0.000 0.463 245 E N -0.234 119.857 120.200 -0.181 0.000 2.481 245 E HA 0.156 4.507 4.350 0.001 0.000 0.198 245 E C 0.087 176.602 176.600 -0.142 0.000 1.027 245 E CA -0.037 56.305 56.400 -0.096 0.000 0.900 245 E CB 0.718 30.401 29.700 -0.029 0.000 0.993 245 E HN 0.192 nan 8.360 nan 0.000 0.482 246 A N 1.888 124.567 122.820 -0.235 0.000 2.386 246 A HA 0.121 4.441 4.320 0.001 0.000 0.248 246 A C 0.510 177.990 177.584 -0.173 0.000 1.082 246 A CA -0.358 51.555 52.037 -0.208 0.000 0.789 246 A CB 0.079 18.933 19.000 -0.243 0.000 1.025 246 A HN -0.006 nan 8.150 nan 0.000 0.490 247 N N 1.625 120.244 118.700 -0.134 0.000 2.739 247 N HA 0.201 4.942 4.740 0.001 0.000 0.266 247 N C 0.235 175.643 175.510 -0.169 0.000 1.168 247 N CA 0.171 53.153 53.050 -0.112 0.000 1.055 247 N CB -0.462 37.986 38.487 -0.064 0.000 1.393 247 N HN 0.594 nan 8.380 nan 0.000 0.514 248 L N 0.831 121.890 121.223 -0.274 0.000 2.470 248 L HA 0.314 4.654 4.340 0.001 0.000 0.219 248 L C 1.388 178.071 176.870 -0.312 0.000 1.071 248 L CA 0.338 54.877 54.840 -0.502 0.000 0.850 248 L CB -0.038 41.320 42.059 -1.169 0.000 1.040 248 L HN 0.598 nan 8.230 nan 0.000 0.475 249 G N -0.617 108.119 108.800 -0.105 0.000 2.160 249 G HA2 -0.228 3.733 3.960 0.001 0.000 0.244 249 G HA3 -0.228 3.733 3.960 0.001 0.000 0.244 249 G C -0.437 174.649 174.900 0.310 0.000 1.022 249 G CA -0.354 44.802 45.100 0.092 0.000 0.741 249 G HN 0.094 nan 8.290 nan 0.000 0.508 250 W N 0.934 122.278 121.300 0.074 0.000 2.436 250 W HA 0.742 5.402 4.660 0.001 0.000 0.347 250 W C 1.091 177.659 176.519 0.083 0.000 1.136 250 W CA -0.998 56.385 57.345 0.063 0.000 1.286 250 W CB 0.958 30.450 29.460 0.053 0.000 1.253 250 W HN 0.547 nan 8.180 nan 0.000 0.617 251 S N 0.315 116.201 115.700 0.310 0.000 2.634 251 S HA 0.029 4.499 4.470 0.001 0.000 0.261 251 S C 0.684 175.458 174.600 0.290 0.000 1.271 251 S CA -0.391 57.970 58.200 0.268 0.000 0.985 251 S CB 0.762 64.100 63.200 0.229 0.000 0.968 251 S HN 0.611 nan 8.310 nan 0.000 0.568 252 W N 1.161 122.538 121.300 0.129 0.000 2.338 252 W HA -0.101 4.559 4.660 0.001 0.000 0.304 252 W C 2.137 178.709 176.519 0.088 0.000 1.212 252 W CA 1.825 59.236 57.345 0.109 0.000 1.264 252 W CB -0.158 29.354 29.460 0.085 0.000 1.142 252 W HN 0.783 nan 8.180 nan 0.000 0.512 253 E N 0.326 120.787 120.200 0.435 0.000 2.077 253 E HA -0.225 4.125 4.350 0.001 0.000 0.193 253 E C 1.865 178.461 176.600 -0.007 0.000 0.989 253 E CA 1.845 58.397 56.400 0.254 0.000 0.800 253 E CB -0.598 29.250 29.700 0.246 0.000 0.746 253 E HN 0.566 nan 8.360 nan 0.000 0.452 254 E N 0.607 120.807 120.200 -0.000 0.000 2.077 254 E HA -0.117 4.233 4.350 0.001 0.000 0.193 254 E C 2.360 178.899 176.600 -0.102 0.000 0.989 254 E CA 0.617 56.941 56.400 -0.128 0.000 0.800 254 E CB -0.094 29.504 29.700 -0.170 0.000 0.746 254 E HN 0.171 nan 8.360 nan 0.000 0.452 255 L N 0.576 121.823 121.223 0.039 0.000 2.046 255 L HA -0.173 4.168 4.340 0.001 0.000 0.208 255 L C 2.565 179.327 176.870 -0.181 0.000 1.077 255 L CA 1.229 56.117 54.840 0.081 0.000 0.747 255 L CB -0.555 41.563 42.059 0.098 0.000 0.896 255 L HN 0.167 nan 8.230 nan 0.000 0.432 256 T N -0.752 113.560 114.554 -0.402 0.000 2.777 256 T HA -0.156 4.195 4.350 0.001 0.000 0.266 256 T C 2.036 176.550 174.700 -0.311 0.000 1.040 256 T CA 1.160 62.971 62.100 -0.481 0.000 1.141 256 T CB -0.138 68.224 68.868 -0.843 0.000 0.868 256 T HN 0.279 nan 8.240 nan 0.000 0.444 257 R N 0.911 121.244 120.500 -0.278 0.000 2.075 257 R HA 0.093 4.433 4.340 0.001 0.000 0.232 257 R C 2.766 178.870 176.300 -0.327 0.000 1.126 257 R CA 1.256 57.206 56.100 -0.250 0.000 0.963 257 R CB -0.358 29.811 30.300 -0.217 0.000 0.858 257 R HN 0.344 nan 8.270 nan 0.000 0.435 258 A N 0.587 123.119 122.820 -0.480 0.000 1.930 258 A HA -0.016 4.304 4.320 0.001 0.000 0.215 258 A C 0.372 177.539 177.584 -0.694 0.000 1.176 258 A CA 0.798 52.414 52.037 -0.701 0.000 0.632 258 A CB 0.130 18.474 19.000 -1.094 0.000 0.819 258 A HN 0.181 nan 8.150 nan 0.000 0.445 259 F N -0.017 119.889 119.950 -0.074 0.000 2.449 259 F HA 0.390 4.917 4.527 0.001 0.000 0.329 259 F C -2.805 172.862 175.800 -0.222 0.000 1.245 259 F CA -3.741 54.171 58.000 -0.146 0.000 1.193 259 F CB 0.189 39.082 39.000 -0.179 0.000 1.425 259 F HN -0.086 nan 8.300 nan 0.000 0.544 260 P HA 0.068 nan 4.420 nan 0.000 0.265 260 P C -0.033 177.256 177.300 -0.019 0.000 1.187 260 P CA 0.322 63.349 63.100 -0.122 0.000 0.766 260 P CB 0.958 32.545 31.700 -0.188 0.000 0.820 261 S N 1.903 117.602 115.700 -0.002 0.000 2.543 261 S HA 0.538 5.008 4.470 0.001 0.000 0.271 261 S C -2.762 171.854 174.600 0.027 0.000 1.148 261 S CA -1.173 57.058 58.200 0.052 0.000 0.914 261 S CB 0.561 63.712 63.200 -0.082 0.000 1.096 261 S HN 0.251 nan 8.310 nan 0.000 0.471 262 P HA 0.504 nan 4.420 nan 0.000 0.274 262 P C -0.907 176.560 177.300 0.279 0.000 1.246 262 P CA -0.248 62.959 63.100 0.179 0.000 0.795 262 P CB 0.197 31.949 31.700 0.087 0.000 1.006 263 F N -2.255 117.763 119.950 0.114 0.000 2.675 263 F HA 0.613 5.140 4.527 0.000 0.000 0.324 263 F C -0.872 175.045 175.800 0.195 0.000 1.106 263 F CA -1.446 56.634 58.000 0.133 0.000 0.970 263 F CB 0.517 39.626 39.000 0.180 0.000 1.385 263 F HN 0.113 nan 8.300 nan 0.000 0.489 264 S N 2.147 117.795 115.700 -0.087 0.000 2.465 264 S HA 0.401 4.872 4.470 0.001 0.000 0.279 264 S C -0.553 173.849 174.600 -0.331 0.000 1.201 264 S CA -0.419 57.686 58.200 -0.158 0.000 1.053 264 S CB 0.780 63.997 63.200 0.028 0.000 0.953 264 S HN 0.644 nan 8.310 nan 0.000 0.488 265 L N 5.853 126.808 121.223 -0.448 0.000 2.454 265 L HA 0.275 4.616 4.340 0.001 0.000 0.284 265 L C 0.597 177.409 176.870 -0.096 0.000 1.139 265 L CA 0.626 55.239 54.840 -0.380 0.000 0.911 265 L CB -0.949 40.791 42.059 -0.532 0.000 1.262 265 L HN 0.831 nan 8.230 nan 0.000 0.453 266 T N -0.053 114.505 114.554 0.007 0.000 2.864 266 T HA 0.442 4.793 4.350 0.001 0.000 0.289 266 T C 1.074 175.761 174.700 -0.022 0.000 1.082 266 T CA -0.470 61.631 62.100 0.002 0.000 1.009 266 T CB 1.022 69.907 68.868 0.028 0.000 1.234 266 T HN -0.028 nan 8.240 nan 0.000 0.526 267 V N 0.790 120.646 119.914 -0.096 0.000 2.358 267 V HA -0.075 4.045 4.120 0.001 0.000 0.246 267 V C 2.533 178.535 176.094 -0.154 0.000 1.047 267 V CA 2.439 64.663 62.300 -0.127 0.000 1.035 267 V CB -1.046 30.659 31.823 -0.196 0.000 0.658 267 V HN 1.100 nan 8.190 nan 0.000 0.452 268 D N 0.556 120.809 120.400 -0.245 0.000 2.149 268 D HA -0.174 4.467 4.640 0.001 0.000 0.198 268 D C 2.067 178.436 176.300 0.115 0.000 0.990 268 D CA 1.550 55.500 54.000 -0.084 0.000 0.839 268 D CB -0.123 40.698 40.800 0.036 0.000 0.948 268 D HN 0.371 nan 8.370 nan 0.000 0.460 269 A N 0.529 123.404 122.820 0.090 0.000 1.877 269 A HA 0.030 4.350 4.320 0.001 0.000 0.216 269 A C 2.441 179.896 177.584 -0.215 0.000 1.186 269 A CA 2.239 54.231 52.037 -0.075 0.000 0.620 269 A CB -1.228 17.886 19.000 0.190 0.000 0.822 269 A HN 0.363 nan 8.150 nan 0.000 0.443 270 A N -0.692 122.102 122.820 -0.043 0.000 1.902 270 A HA 0.006 4.326 4.320 0.001 0.000 0.217 270 A C 2.249 179.921 177.584 0.147 0.000 1.181 270 A CA 1.830 53.886 52.037 0.031 0.000 0.623 270 A CB -0.902 18.119 19.000 0.035 0.000 0.818 270 A HN 0.385 nan 8.150 nan 0.000 0.443 271 V N -0.110 119.871 119.914 0.112 0.000 2.307 271 V HA -0.227 3.893 4.120 0.001 0.000 0.245 271 V C 2.725 178.949 176.094 0.216 0.000 1.045 271 V CA 1.968 64.373 62.300 0.176 0.000 1.024 271 V CB -0.707 31.293 31.823 0.295 0.000 0.651 271 V HN 0.519 nan 8.190 nan 0.000 0.449 272 Q N -0.209 119.700 119.800 0.182 0.000 2.124 272 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 272 Q C 2.241 178.327 176.000 0.143 0.000 0.977 272 Q CA 1.573 57.492 55.803 0.193 0.000 0.850 272 Q CB -0.420 28.492 28.738 0.290 0.000 0.901 272 Q HN 0.704 nan 8.270 nan 0.000 0.429 273 Q N -0.690 119.096 119.800 -0.023 0.000 2.124 273 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 273 Q C 1.842 178.007 176.000 0.275 0.000 0.977 273 Q CA 1.351 57.178 55.803 0.039 0.000 0.850 273 Q CB -0.148 28.453 28.738 -0.228 0.000 0.901 273 Q HN 0.547 nan 8.270 nan 0.000 0.429 274 H N -0.065 119.115 119.070 0.183 0.000 2.357 274 H HA -0.033 4.523 4.556 0.001 0.000 0.301 274 H C 1.801 177.218 175.328 0.148 0.000 1.082 274 H CA 1.094 57.257 56.048 0.191 0.000 1.342 274 H CB -0.014 29.836 29.762 0.147 0.000 1.389 274 H HN 0.120 nan 8.280 nan 0.000 0.511 275 L N -0.257 121.123 121.223 0.262 0.000 2.275 275 L HA -0.146 4.194 4.340 0.001 0.000 0.215 275 L C 1.989 178.953 176.870 0.156 0.000 1.119 275 L CA 0.780 55.728 54.840 0.181 0.000 0.790 275 L CB -0.309 41.847 42.059 0.160 0.000 0.919 275 L HN 0.375 nan 8.230 nan 0.000 0.443 276 M N -1.251 118.466 119.600 0.195 0.000 2.374 276 M HA -0.088 4.392 4.480 0.001 0.000 0.264 276 M C 0.477 176.875 176.300 0.163 0.000 1.067 276 M CA 0.959 56.372 55.300 0.188 0.000 1.103 276 M CB -0.087 32.685 32.600 0.287 0.000 1.402 276 M HN 0.152 nan 8.290 nan 0.000 0.444 277 M N 1.128 120.805 119.600 0.129 0.000 2.146 277 M HA 0.165 4.645 4.480 0.001 0.000 0.357 277 M C 0.045 176.376 176.300 0.052 0.000 1.261 277 M CA -0.145 55.190 55.300 0.057 0.000 1.106 277 M CB 0.478 33.004 32.600 -0.123 0.000 1.612 277 M HN 0.070 nan 8.290 nan 0.000 0.470 278 E N 1.140 121.374 120.200 0.057 0.000 2.452 278 E HA 0.248 4.598 4.350 0.001 0.000 0.261 278 E C 1.044 177.664 176.600 0.034 0.000 0.987 278 E CA 1.185 57.611 56.400 0.044 0.000 0.926 278 E CB 0.380 30.108 29.700 0.048 0.000 0.934 278 E HN 0.905 nan 8.360 nan 0.000 0.452 279 G N 2.608 111.427 108.800 0.031 0.000 2.159 279 G HA2 -0.240 3.720 3.960 0.001 0.000 0.256 279 G HA3 -0.240 3.720 3.960 0.001 0.000 0.256 279 G C -0.105 174.814 174.900 0.032 0.000 0.977 279 G CA 0.116 45.232 45.100 0.026 0.000 0.652 279 G HN 0.496 nan 8.290 nan 0.000 0.531 280 V N 3.406 123.348 119.914 0.046 0.000 2.311 280 V HA 0.469 4.590 4.120 0.001 0.000 0.275 280 V C -1.263 174.873 176.094 0.069 0.000 1.022 280 V CA -1.309 61.032 62.300 0.068 0.000 0.830 280 V CB 1.479 33.363 31.823 0.100 0.000 1.012 280 V HN 0.298 nan 8.190 nan 0.000 0.452 281 P HA 0.191 nan 4.420 nan 0.000 0.279 281 P C 0.943 178.279 177.300 0.060 0.000 1.239 281 P CA -0.209 62.918 63.100 0.045 0.000 0.789 281 P CB 1.598 33.312 31.700 0.024 0.000 0.933 282 S N 2.615 118.350 115.700 0.058 0.000 2.383 282 S HA -0.193 4.277 4.470 0.001 0.000 0.229 282 S C 1.946 176.586 174.600 0.067 0.000 1.030 282 S CA 1.036 59.276 58.200 0.065 0.000 1.002 282 S CB -1.344 61.886 63.200 0.049 0.000 0.829 282 S HN 0.528 nan 8.310 nan 0.000 0.467 283 A N 1.810 124.663 122.820 0.055 0.000 2.076 283 A HA -0.046 4.274 4.320 0.001 0.000 0.220 283 A C 2.175 179.820 177.584 0.102 0.000 1.160 283 A CA 1.447 53.524 52.037 0.066 0.000 0.653 283 A CB -0.465 18.557 19.000 0.037 0.000 0.801 283 A HN 0.627 nan 8.150 nan 0.000 0.455 284 K N -0.906 119.540 120.400 0.078 0.000 2.393 284 K HA 0.271 4.591 4.320 0.001 0.000 0.193 284 K C -0.271 176.436 176.600 0.179 0.000 1.026 284 K CA -0.045 56.296 56.287 0.090 0.000 1.064 284 K CB 0.221 32.728 32.500 0.011 0.000 0.833 284 K HN 0.452 nan 8.250 nan 0.000 0.521 285 I N 2.207 122.856 120.570 0.132 0.000 2.396 285 I HA 0.042 4.212 4.170 0.001 0.000 0.289 285 I C -0.342 175.830 176.117 0.092 0.000 1.056 285 I CA -0.423 60.932 61.300 0.092 0.000 1.365 285 I CB 1.168 39.204 38.000 0.060 0.000 1.407 285 I HN -0.276 nan 8.210 nan 0.000 0.509 286 V N 7.678 127.630 119.914 0.063 0.000 2.448 286 V HA 0.301 4.421 4.120 0.001 0.000 0.295 286 V C 0.130 176.250 176.094 0.043 0.000 1.025 286 V CA -0.676 61.639 62.300 0.025 0.000 0.859 286 V CB 1.794 33.580 31.823 -0.062 0.000 0.988 286 V HN 0.693 nan 8.190 nan 0.000 0.431 287 M N 4.410 124.058 119.600 0.079 0.000 2.143 287 M HA 0.489 4.969 4.480 0.001 0.000 0.348 287 M C 0.554 176.938 176.300 0.141 0.000 1.375 287 M CA -0.105 55.258 55.300 0.104 0.000 1.124 287 M CB 0.428 33.114 32.600 0.144 0.000 1.669 287 M HN 0.805 nan 8.290 nan 0.000 0.469 288 G N 4.151 113.052 108.800 0.169 0.000 2.444 288 G HA2 0.537 4.497 3.960 0.001 0.000 0.268 288 G HA3 0.537 4.497 3.960 0.001 0.000 0.268 288 G C -0.829 174.333 174.900 0.437 0.000 1.203 288 G CA -0.533 44.769 45.100 0.337 0.000 0.835 288 G HN 0.815 nan 8.290 nan 0.000 0.543 289 V N -0.679 119.505 119.914 0.450 0.000 3.007 289 V HA 0.874 4.994 4.120 0.001 0.000 0.311 289 V C -2.738 173.480 176.094 0.207 0.000 1.120 289 V CA -2.694 59.834 62.300 0.379 0.000 0.980 289 V CB 2.621 34.559 31.823 0.191 0.000 1.033 289 V HN 0.653 nan 8.190 nan 0.000 0.429 290 P HA 0.456 nan 4.420 nan 0.000 0.294 290 P C -0.801 176.636 177.300 0.227 0.000 1.294 290 P CA -0.280 62.653 63.100 -0.280 0.000 0.827 290 P CB 1.480 32.700 31.700 -0.800 0.000 0.992 291 F N 2.319 122.266 119.950 -0.005 0.000 2.639 291 F HA 0.225 4.752 4.527 0.000 0.000 0.300 291 F C 0.472 176.346 175.800 0.123 0.000 1.109 291 F CA -0.537 57.497 58.000 0.058 0.000 1.335 291 F CB -0.640 38.373 39.000 0.021 0.000 1.014 291 F HN 0.254 nan 8.300 nan 0.000 0.537 292 Y N -2.505 117.938 120.300 0.238 0.000 2.609 292 Y HA 0.863 5.414 4.550 0.001 0.000 0.342 292 Y C -0.107 175.887 175.900 0.158 0.000 1.058 292 Y CA -2.136 56.053 58.100 0.147 0.000 1.055 292 Y CB 0.903 39.433 38.460 0.116 0.000 1.292 292 Y HN -0.117 nan 8.280 nan 0.000 0.476 293 G N 1.174 110.122 108.800 0.246 0.000 2.511 293 G HA2 0.716 4.676 3.960 0.001 0.000 0.318 293 G HA3 0.716 4.676 3.960 0.001 0.000 0.318 293 G C -1.488 173.542 174.900 0.217 0.000 1.210 293 G CA -1.547 43.663 45.100 0.182 0.000 0.969 293 G HN 0.669 nan 8.290 nan 0.000 0.484 294 R N -0.346 120.245 120.500 0.153 0.000 2.562 294 R HA 0.647 4.988 4.340 0.001 0.000 0.298 294 R C -0.531 175.774 176.300 0.007 0.000 0.961 294 R CA -0.550 55.584 56.100 0.058 0.000 0.881 294 R CB 2.218 32.539 30.300 0.036 0.000 1.159 294 R HN 0.630 nan 8.270 nan 0.000 0.450 295 A N 3.094 125.878 122.820 -0.060 0.000 2.340 295 A HA 0.809 5.129 4.320 0.001 0.000 0.331 295 A C -1.194 176.471 177.584 0.135 0.000 1.140 295 A CA -0.484 51.638 52.037 0.140 0.000 0.801 295 A CB 0.728 19.833 19.000 0.174 0.000 1.234 295 A HN 0.553 nan 8.150 nan 0.000 0.469 296 F N 0.604 120.737 119.950 0.306 0.000 2.565 296 F HA 0.556 5.083 4.527 0.001 0.000 0.313 296 F C 0.462 176.232 175.800 -0.049 0.000 1.091 296 F CA -0.557 57.513 58.000 0.118 0.000 0.915 296 F CB 2.424 41.421 39.000 -0.005 0.000 1.208 296 F HN 0.708 nan 8.300 nan 0.000 0.453 297 K N -0.244 120.008 120.400 -0.246 0.000 2.306 297 K HA 0.822 5.142 4.320 0.001 0.000 0.236 297 K C 0.471 176.985 176.600 -0.143 0.000 1.013 297 K CA -0.669 55.343 56.287 -0.460 0.000 0.857 297 K CB 1.812 33.518 32.500 -1.324 0.000 1.214 297 K HN 0.894 nan 8.250 nan 0.000 0.449 298 G N -0.146 108.586 108.800 -0.114 0.000 2.176 298 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 298 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 298 G C 0.021 174.939 174.900 0.030 0.000 1.024 298 G CA 0.239 45.316 45.100 -0.037 0.000 0.755 298 G HN 0.932 nan 8.290 nan 0.000 0.507 299 V N -2.209 117.749 119.914 0.074 0.000 2.904 299 V HA 0.885 5.006 4.120 0.001 0.000 0.305 299 V C 0.652 176.793 176.094 0.079 0.000 1.067 299 V CA 0.041 62.382 62.300 0.068 0.000 1.044 299 V CB 1.686 33.565 31.823 0.094 0.000 1.050 299 V HN 0.550 nan 8.190 nan 0.000 0.475 300 S N 1.791 117.504 115.700 0.021 0.000 2.672 300 S HA 0.731 5.201 4.470 0.001 0.000 0.276 300 S C 0.458 175.079 174.600 0.034 0.000 1.207 300 S CA 0.034 58.250 58.200 0.026 0.000 1.002 300 S CB 1.366 64.554 63.200 -0.020 0.000 0.998 300 S HN 1.386 nan 8.310 nan 0.000 0.542 301 G N -0.920 107.918 108.800 0.063 0.000 2.543 301 G HA2 0.528 4.489 3.960 0.001 0.000 0.290 301 G HA3 0.528 4.489 3.960 0.001 0.000 0.290 301 G C 0.894 175.765 174.900 -0.048 0.000 1.310 301 G CA -0.065 45.071 45.100 0.060 0.000 1.025 301 G HN 1.328 nan 8.290 nan 0.000 0.502 302 G N -0.536 108.225 108.800 -0.065 0.000 2.784 302 G HA2 -0.267 3.694 3.960 0.001 0.000 0.204 302 G HA3 -0.267 3.694 3.960 0.001 0.000 0.204 302 G C 0.733 175.572 174.900 -0.102 0.000 1.300 302 G CA 0.515 45.577 45.100 -0.064 0.000 0.863 302 G HN 0.918 nan 8.290 nan 0.000 0.541 303 N N 1.190 119.782 118.700 -0.180 0.000 2.541 303 N HA 0.435 5.175 4.740 0.001 0.000 0.297 303 N C 1.186 176.532 175.510 -0.274 0.000 1.503 303 N CA 0.663 53.600 53.050 -0.188 0.000 0.919 303 N CB -0.117 38.256 38.487 -0.191 0.000 1.305 303 N HN 1.445 nan 8.380 nan 0.000 0.501 304 G N 0.339 108.892 108.800 -0.411 0.000 2.258 304 G HA2 -0.294 3.666 3.960 0.001 0.000 0.274 304 G HA3 -0.294 3.666 3.960 0.001 0.000 0.274 304 G C 0.932 175.509 174.900 -0.539 0.000 1.021 304 G CA 0.450 45.183 45.100 -0.612 0.000 0.798 304 G HN 0.806 nan 8.290 nan 0.000 0.507 305 G N -1.994 106.438 108.800 -0.613 0.000 2.199 305 G HA2 -0.275 3.685 3.960 0.001 0.000 0.254 305 G HA3 -0.275 3.685 3.960 0.001 0.000 0.254 305 G C 0.397 174.789 174.900 -0.847 0.000 0.982 305 G CA 0.928 45.844 45.100 -0.307 0.000 0.632 305 G HN 1.161 nan 8.290 nan 0.000 0.529 306 Q N -0.531 118.694 119.800 -0.958 0.000 2.332 306 Q HA 0.436 4.777 4.340 0.001 0.000 0.263 306 Q C 0.399 175.729 176.000 -1.117 0.000 0.979 306 Q CA -0.392 54.512 55.803 -1.498 0.000 0.885 306 Q CB 0.248 28.036 28.738 -1.582 0.000 1.218 306 Q HN 0.642 nan 8.270 nan 0.000 0.405 307 Y N -1.108 118.788 120.300 -0.674 0.000 3.168 307 Y HA -0.266 4.284 4.550 0.000 0.000 0.207 307 Y C 0.017 175.709 175.900 -0.346 0.000 1.280 307 Y CA 0.710 58.552 58.100 -0.430 0.000 1.235 307 Y CB -2.331 35.952 38.460 -0.294 0.000 1.370 307 Y HN 0.468 nan 8.280 nan 0.000 0.537 308 S N -0.259 115.253 115.700 -0.314 0.000 2.607 308 S HA 0.817 5.287 4.470 0.001 0.000 0.303 308 S C 0.342 174.861 174.600 -0.136 0.000 1.086 308 S CA -0.143 57.934 58.200 -0.205 0.000 0.995 308 S CB 1.338 64.405 63.200 -0.222 0.000 1.084 308 S HN 0.554 nan 8.310 nan 0.000 0.507 309 S N 1.773 117.424 115.700 -0.082 0.000 2.584 309 S HA 0.492 4.963 4.470 0.001 0.000 0.270 309 S C -0.220 174.378 174.600 -0.004 0.000 1.346 309 S CA -0.104 58.057 58.200 -0.064 0.000 1.018 309 S CB -0.084 63.065 63.200 -0.085 0.000 0.899 309 S HN 1.091 nan 8.310 nan 0.000 0.542 310 H N -2.345 116.691 119.070 -0.057 0.000 2.966 310 H HA 0.699 5.255 4.556 0.001 0.000 0.330 310 H C -0.698 174.626 175.328 -0.006 0.000 1.292 310 H CA -0.560 55.475 56.048 -0.022 0.000 1.127 310 H CB 0.980 30.771 29.762 0.049 0.000 1.863 310 H HN 0.549 nan 8.280 nan 0.000 0.543 311 S N -0.207 115.523 115.700 0.049 0.000 2.668 311 S HA 0.260 4.731 4.470 0.001 0.000 0.244 311 S C -0.694 173.962 174.600 0.093 0.000 1.140 311 S CA -0.540 57.648 58.200 -0.021 0.000 1.134 311 S CB -0.683 62.480 63.200 -0.061 0.000 0.954 311 S HN 0.647 nan 8.310 nan 0.000 0.490 312 T N 4.501 119.306 114.554 0.419 0.000 2.743 312 T HA 0.439 4.789 4.350 0.001 0.000 0.293 312 T C -2.646 172.257 174.700 0.337 0.000 0.945 312 T CA -1.174 61.141 62.100 0.357 0.000 1.030 312 T CB 0.791 69.850 68.868 0.319 0.000 0.912 312 T HN 0.201 nan 8.240 nan 0.000 0.483 313 P HA 0.206 nan 4.420 nan 0.000 0.266 313 P C 0.840 178.309 177.300 0.281 0.000 1.195 313 P CA -0.019 63.239 63.100 0.264 0.000 0.768 313 P CB 0.484 32.346 31.700 0.269 0.000 0.838 314 G N 1.267 110.206 108.800 0.231 0.000 2.944 314 G HA2 0.030 3.990 3.960 0.001 0.000 0.220 314 G HA3 0.030 3.990 3.960 0.001 0.000 0.220 314 G C 0.003 175.036 174.900 0.223 0.000 1.100 314 G CA -0.026 45.231 45.100 0.261 0.000 0.780 314 G HN 0.413 nan 8.290 nan 0.000 0.539 315 E N 0.676 120.976 120.200 0.166 0.000 2.404 315 E HA 0.425 4.775 4.350 0.001 0.000 0.261 315 E C -0.937 175.748 176.600 0.142 0.000 1.074 315 E CA 0.058 56.533 56.400 0.126 0.000 0.917 315 E CB 1.099 30.845 29.700 0.078 0.000 0.965 315 E HN 0.172 nan 8.360 nan 0.000 0.433 316 D N 1.048 121.519 120.400 0.118 0.000 2.649 316 D HA 0.323 4.963 4.640 0.001 0.000 0.249 316 D C -2.261 174.101 176.300 0.104 0.000 1.112 316 D CA -1.642 52.431 54.000 0.121 0.000 0.850 316 D CB 0.785 41.650 40.800 0.107 0.000 1.399 316 D HN 0.239 nan 8.370 nan 0.000 0.503 317 P HA 0.126 nan 4.420 nan 0.000 0.275 317 P C -0.665 176.729 177.300 0.158 0.000 1.266 317 P CA -0.473 62.703 63.100 0.127 0.000 0.793 317 P CB 0.265 32.032 31.700 0.111 0.000 1.074 318 Y N 2.562 122.906 120.300 0.073 0.000 2.745 318 Y HA 0.022 4.572 4.550 0.001 0.000 0.335 318 Y C -1.043 174.906 175.900 0.082 0.000 1.212 318 Y CA -1.557 56.597 58.100 0.089 0.000 1.535 318 Y CB -0.002 38.517 38.460 0.099 0.000 1.220 318 Y HN 0.265 nan 8.280 nan 0.000 0.531 319 P HA -0.032 nan 4.420 nan 0.000 0.236 319 P C 0.039 177.124 177.300 -0.359 0.000 1.177 319 P CA 0.534 63.476 63.100 -0.263 0.000 0.773 319 P CB 0.497 32.097 31.700 -0.166 0.000 0.878 320 S N -1.318 113.934 115.700 -0.747 0.000 2.739 320 S HA 0.418 4.888 4.470 0.001 0.000 0.306 320 S C 0.785 175.238 174.600 -0.244 0.000 1.115 320 S CA -0.204 57.713 58.200 -0.473 0.000 0.985 320 S CB 1.461 64.400 63.200 -0.436 0.000 1.133 320 S HN -0.067 nan 8.310 nan 0.000 0.541 321 T N 0.462 114.910 114.554 -0.177 0.000 3.054 321 T HA 0.207 4.557 4.350 0.001 0.000 0.255 321 T C -0.119 174.201 174.700 -0.632 0.000 1.035 321 T CA -0.100 61.812 62.100 -0.312 0.000 0.941 321 T CB -0.456 68.311 68.868 -0.168 0.000 1.026 321 T HN 0.603 nan 8.240 nan 0.000 0.533 322 D N 1.523 121.767 120.400 -0.259 0.000 2.338 322 D HA 0.070 4.711 4.640 0.001 0.000 0.255 322 D C -1.156 175.036 176.300 -0.180 0.000 1.237 322 D CA -0.188 53.736 54.000 -0.126 0.000 0.883 322 D CB 0.070 40.970 40.800 0.167 0.000 1.087 322 D HN 0.267 nan 8.370 nan 0.000 0.485 323 Y N 5.031 125.339 120.300 0.014 0.000 2.841 323 Y HA 0.179 4.730 4.550 0.001 0.000 0.329 323 Y C 0.621 176.406 175.900 -0.192 0.000 1.062 323 Y CA -1.180 56.769 58.100 -0.252 0.000 1.281 323 Y CB 0.061 38.400 38.460 -0.201 0.000 1.147 323 Y HN 0.529 nan 8.280 nan 0.000 0.521 324 W N 1.366 122.707 121.300 0.068 0.000 3.256 324 W HA 0.244 4.905 4.660 0.000 0.000 0.269 324 W C -0.700 175.804 176.519 -0.025 0.000 1.310 324 W CA -0.430 56.925 57.345 0.015 0.000 1.673 324 W CB 0.052 29.527 29.460 0.026 0.000 1.115 324 W HN 0.320 nan 8.180 nan 0.000 0.686 325 L N 3.085 124.215 121.223 -0.156 0.000 2.334 325 L HA 0.262 4.602 4.340 0.001 0.000 0.286 325 L C 0.270 177.101 176.870 -0.065 0.000 1.108 325 L CA -0.694 54.113 54.840 -0.055 0.000 0.875 325 L CB 0.526 42.405 42.059 -0.301 0.000 1.246 325 L HN -0.208 nan 8.230 nan 0.000 0.439 326 V N 6.224 126.129 119.914 -0.015 0.000 2.584 326 V HA 0.204 4.325 4.120 0.001 0.000 0.303 326 V C 1.559 177.473 176.094 -0.300 0.000 1.035 326 V CA 1.194 63.411 62.300 -0.138 0.000 1.172 326 V CB -0.049 31.625 31.823 -0.248 0.000 0.896 326 V HN 1.079 nan 8.190 nan 0.000 0.486 327 G N 3.203 111.664 108.800 -0.565 0.000 2.179 327 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 327 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 327 G C 0.485 175.085 174.900 -0.500 0.000 0.977 327 G CA 0.060 44.529 45.100 -1.051 0.000 0.641 327 G HN 1.001 nan 8.290 nan 0.000 0.533 328 C N 1.919 121.022 119.300 -0.329 0.000 2.138 328 C HA 0.598 5.058 4.460 0.001 0.000 0.398 328 C C 1.742 176.591 174.990 -0.235 0.000 1.029 328 C CA -0.004 58.852 59.018 -0.270 0.000 1.426 328 C CB -1.199 26.374 27.740 -0.279 0.000 1.652 328 C HN 0.535 nan 8.230 nan 0.000 0.486 329 E N 0.983 121.071 120.200 -0.188 0.000 2.208 329 E HA -0.185 4.165 4.350 0.001 0.000 0.193 329 E C 1.914 178.403 176.600 -0.184 0.000 0.988 329 E CA 0.736 57.041 56.400 -0.159 0.000 0.828 329 E CB 0.133 29.775 29.700 -0.097 0.000 0.763 329 E HN 0.843 nan 8.360 nan 0.000 0.478 330 E N 0.648 120.741 120.200 -0.178 0.000 2.085 330 E HA -0.203 4.147 4.350 0.001 0.000 0.194 330 E C 1.898 178.359 176.600 -0.231 0.000 0.994 330 E CA 1.220 57.520 56.400 -0.168 0.000 0.801 330 E CB -0.017 29.595 29.700 -0.146 0.000 0.743 330 E HN 0.255 nan 8.360 nan 0.000 0.453 331 C N 0.151 119.275 119.300 -0.292 0.000 2.410 331 C HA -0.080 4.380 4.460 0.001 0.000 0.281 331 C C 2.617 177.241 174.990 -0.609 0.000 1.318 331 C CA 0.372 59.150 59.018 -0.400 0.000 1.776 331 C CB -0.765 26.720 27.740 -0.425 0.000 1.942 331 C HN 0.337 nan 8.230 nan 0.000 0.508 332 V N 0.852 120.420 119.914 -0.578 0.000 2.323 332 V HA -0.158 3.962 4.120 0.001 0.000 0.244 332 V C 2.707 178.511 176.094 -0.484 0.000 1.041 332 V CA 1.914 63.761 62.300 -0.754 0.000 1.025 332 V CB -0.727 30.871 31.823 -0.375 0.000 0.656 332 V HN 0.503 nan 8.190 nan 0.000 0.451 333 R N 0.311 120.640 120.500 -0.284 0.000 2.091 333 R HA -0.198 4.142 4.340 0.001 0.000 0.238 333 R C 1.625 177.830 176.300 -0.159 0.000 1.136 333 R CA 2.158 58.156 56.100 -0.170 0.000 0.959 333 R CB -0.259 29.971 30.300 -0.117 0.000 0.856 333 R HN 0.466 nan 8.270 nan 0.000 0.437 334 D N 0.144 120.427 120.400 -0.195 0.000 2.350 334 D HA 0.025 4.665 4.640 0.001 0.000 0.213 334 D C -0.076 176.134 176.300 -0.151 0.000 1.031 334 D CA 0.354 54.270 54.000 -0.139 0.000 0.861 334 D CB 0.317 41.048 40.800 -0.115 0.000 0.926 334 D HN 0.185 nan 8.370 nan 0.000 0.520 335 K N 0.776 121.002 120.400 -0.291 0.000 3.117 335 K HA -0.164 4.156 4.320 0.001 0.000 0.269 335 K C -0.617 175.969 176.600 -0.024 0.000 1.098 335 K CA 0.556 56.730 56.287 -0.188 0.000 0.785 335 K CB -1.116 31.436 32.500 0.086 0.000 1.242 335 K HN 0.086 nan 8.250 nan 0.000 0.491 336 D N -0.717 119.515 120.400 -0.280 0.000 2.738 336 D HA 0.119 4.759 4.640 0.001 0.000 0.218 336 D C -2.370 173.595 176.300 -0.557 0.000 1.345 336 D CA -1.583 52.184 54.000 -0.387 0.000 0.943 336 D CB 1.592 42.283 40.800 -0.182 0.000 1.514 336 D HN -0.157 nan 8.370 nan 0.000 0.585 337 P HA 0.146 nan 4.420 nan 0.000 0.249 337 P C 0.672 177.438 177.300 -0.889 0.000 1.229 337 P CA 0.024 62.525 63.100 -0.999 0.000 0.788 337 P CB 0.497 31.194 31.700 -1.672 0.000 1.072 338 R N -0.720 119.451 120.500 -0.548 0.000 2.280 338 R HA 0.222 4.563 4.340 0.001 0.000 0.195 338 R C 0.489 176.688 176.300 -0.169 0.000 0.935 338 R CA 0.312 56.262 56.100 -0.251 0.000 1.033 338 R CB 0.264 30.503 30.300 -0.102 0.000 0.964 338 R HN 0.151 nan 8.270 nan 0.000 0.489 339 I N 0.156 120.617 120.570 -0.181 0.000 2.582 339 I HA 0.505 4.675 4.170 0.001 0.000 0.292 339 I C -0.796 175.256 176.117 -0.109 0.000 1.066 339 I CA -1.225 60.024 61.300 -0.086 0.000 1.053 339 I CB 1.829 39.773 38.000 -0.094 0.000 1.241 339 I HN -0.116 nan 8.210 nan 0.000 0.421 340 A N 3.803 126.603 122.820 -0.035 0.000 2.488 340 A HA 0.711 5.032 4.320 0.001 0.000 0.298 340 A C -0.191 177.395 177.584 0.002 0.000 1.044 340 A CA -0.510 51.477 52.037 -0.082 0.000 0.693 340 A CB 1.561 20.456 19.000 -0.175 0.000 1.272 340 A HN 0.761 nan 8.150 nan 0.000 0.402 341 S N 1.114 116.796 115.700 -0.030 0.000 2.584 341 S HA 0.234 4.704 4.470 0.001 0.000 0.270 341 S C 0.845 175.418 174.600 -0.046 0.000 1.346 341 S CA 0.254 58.462 58.200 0.013 0.000 1.018 341 S CB 0.178 63.346 63.200 -0.053 0.000 0.899 341 S HN 1.208 nan 8.310 nan 0.000 0.542 342 Y N 2.316 122.573 120.300 -0.072 0.000 2.207 342 Y HA -0.167 4.383 4.550 0.001 0.000 0.287 342 Y C 2.661 178.464 175.900 -0.162 0.000 1.156 342 Y CA 2.054 60.071 58.100 -0.139 0.000 1.182 342 Y CB -0.376 37.974 38.460 -0.184 0.000 0.979 342 Y HN 0.846 nan 8.280 nan 0.000 0.521 343 R N 0.020 120.398 120.500 -0.204 0.000 2.094 343 R HA -0.305 4.035 4.340 0.001 0.000 0.239 343 R C 2.389 178.511 176.300 -0.297 0.000 1.137 343 R CA 2.249 58.212 56.100 -0.228 0.000 0.943 343 R CB -0.444 29.805 30.300 -0.086 0.000 0.850 343 R HN 0.435 nan 8.270 nan 0.000 0.433 344 Q N 0.480 120.132 119.800 -0.247 0.000 2.119 344 Q HA -0.065 4.275 4.340 0.001 0.000 0.201 344 Q C 2.041 177.844 176.000 -0.328 0.000 0.972 344 Q CA 1.581 57.240 55.803 -0.239 0.000 0.847 344 Q CB -0.175 28.444 28.738 -0.199 0.000 0.903 344 Q HN 0.502 nan 8.270 nan 0.000 0.433 345 L N 0.180 121.141 121.223 -0.437 0.000 2.141 345 L HA -0.124 4.216 4.340 0.001 0.000 0.209 345 L C 2.481 179.014 176.870 -0.562 0.000 1.094 345 L CA 1.581 56.087 54.840 -0.557 0.000 0.763 345 L CB -0.433 41.208 42.059 -0.697 0.000 0.908 345 L HN 0.398 nan 8.230 nan 0.000 0.437 346 E N -0.082 119.722 120.200 -0.660 0.000 2.106 346 E HA -0.239 4.111 4.350 0.001 0.000 0.192 346 E C 2.177 178.615 176.600 -0.270 0.000 0.984 346 E CA 0.936 57.023 56.400 -0.521 0.000 0.806 346 E CB 0.128 29.431 29.700 -0.661 0.000 0.750 346 E HN 0.516 nan 8.360 nan 0.000 0.458 347 Q N -0.343 119.318 119.800 -0.232 0.000 2.119 347 Q HA -0.116 4.224 4.340 0.001 0.000 0.201 347 Q C 2.130 178.131 176.000 0.000 0.000 0.972 347 Q CA 1.381 57.127 55.803 -0.095 0.000 0.847 347 Q CB 0.012 28.704 28.738 -0.077 0.000 0.903 347 Q HN 0.353 nan 8.270 nan 0.000 0.433 348 M N -0.005 119.554 119.600 -0.068 0.000 2.279 348 M HA -0.145 4.335 4.480 0.001 0.000 0.264 348 M C 1.784 178.181 176.300 0.161 0.000 1.062 348 M CA 1.117 56.455 55.300 0.063 0.000 1.099 348 M CB 0.077 32.523 32.600 -0.257 0.000 1.394 348 M HN 0.188 nan 8.290 nan 0.000 0.426 349 L N -0.626 120.583 121.223 -0.023 0.000 2.270 349 L HA -0.111 4.229 4.340 0.001 0.000 0.210 349 L C 2.093 178.983 176.870 0.033 0.000 1.104 349 L CA 0.633 55.479 54.840 0.011 0.000 0.804 349 L CB -0.237 41.781 42.059 -0.069 0.000 0.937 349 L HN 0.313 nan 8.230 nan 0.000 0.450 350 Q N -0.725 119.083 119.800 0.014 0.000 2.360 350 Q HA 0.101 4.441 4.340 0.001 0.000 0.202 350 Q C 1.722 177.714 176.000 -0.013 0.000 0.915 350 Q CA 0.613 56.414 55.803 -0.003 0.000 0.943 350 Q CB 0.538 29.264 28.738 -0.019 0.000 1.064 350 Q HN 0.392 nan 8.270 nan 0.000 0.511 351 G N 1.271 110.088 108.800 0.028 0.000 3.141 351 G HA2 -0.076 3.884 3.960 0.001 0.000 0.218 351 G HA3 -0.076 3.884 3.960 0.001 0.000 0.218 351 G C 0.429 175.066 174.900 -0.439 0.000 1.170 351 G CA -0.365 44.632 45.100 -0.171 0.000 0.769 351 G HN 0.305 nan 8.290 nan 0.000 0.546 352 N N -0.709 117.899 118.700 -0.153 0.000 2.669 352 N HA -0.241 4.500 4.740 0.001 0.000 0.266 352 N C -0.129 175.266 175.510 -0.192 0.000 1.024 352 N CA 0.354 53.324 53.050 -0.134 0.000 0.766 352 N CB -1.390 37.008 38.487 -0.148 0.000 0.898 352 N HN 0.468 nan 8.380 nan 0.000 0.548 353 Y N -0.863 119.480 120.300 0.071 0.000 2.458 353 Y HA 0.350 4.901 4.550 0.001 0.000 0.256 353 Y C 1.939 177.812 175.900 -0.046 0.000 1.159 353 Y CA 0.432 58.566 58.100 0.056 0.000 1.261 353 Y CB 0.428 38.984 38.460 0.159 0.000 1.119 353 Y HN 0.411 nan 8.280 nan 0.000 0.524 354 G N -0.819 107.989 108.800 0.014 0.000 2.131 354 G HA2 -0.271 3.689 3.960 0.001 0.000 0.201 354 G HA3 -0.271 3.689 3.960 0.001 0.000 0.201 354 G C -0.515 174.128 174.900 -0.429 0.000 1.000 354 G CA -0.613 44.332 45.100 -0.259 0.000 0.680 354 G HN 0.229 nan 8.290 nan 0.000 0.514 355 Y N 0.633 120.944 120.300 0.017 0.000 2.334 355 Y HA 0.617 5.168 4.550 0.001 0.000 0.328 355 Y C 0.892 176.788 175.900 -0.006 0.000 1.130 355 Y CA -0.409 57.708 58.100 0.027 0.000 1.163 355 Y CB 1.194 39.706 38.460 0.087 0.000 1.207 355 Y HN 0.234 nan 8.280 nan 0.000 0.471 356 Q N 2.775 122.679 119.800 0.174 0.000 2.293 356 Q HA 0.390 4.730 4.340 0.001 0.000 0.261 356 Q C -0.521 175.547 176.000 0.113 0.000 0.960 356 Q CA -1.083 54.789 55.803 0.115 0.000 0.882 356 Q CB 2.175 30.982 28.738 0.115 0.000 1.275 356 Q HN 0.406 nan 8.270 nan 0.000 0.445 357 R N 3.968 124.512 120.500 0.073 0.000 2.207 357 R HA 0.386 4.726 4.340 0.001 0.000 0.334 357 R C -1.202 175.084 176.300 -0.024 0.000 1.013 357 R CA -0.037 56.099 56.100 0.060 0.000 0.858 357 R CB 0.105 30.470 30.300 0.107 0.000 1.094 357 R HN 0.653 nan 8.270 nan 0.000 0.457 358 L N 3.393 124.476 121.223 -0.234 0.000 2.304 358 L HA 0.611 4.951 4.340 0.001 0.000 0.268 358 L C -0.356 176.401 176.870 -0.188 0.000 1.010 358 L CA -0.995 53.619 54.840 -0.377 0.000 0.813 358 L CB 1.995 43.513 42.059 -0.902 0.000 1.315 358 L HN 0.537 nan 8.230 nan 0.000 0.445 359 W N 1.800 123.021 121.300 -0.130 0.000 2.957 359 W HA 0.307 4.967 4.660 0.001 0.000 0.336 359 W C -1.543 175.112 176.519 0.226 0.000 1.087 359 W CA -0.575 56.813 57.345 0.072 0.000 1.235 359 W CB 1.986 31.452 29.460 0.009 0.000 1.399 359 W HN 0.443 nan 8.180 nan 0.000 0.480 360 N N 3.816 122.274 118.700 -0.403 0.000 2.457 360 N HA 0.040 4.781 4.740 0.001 0.000 0.250 360 N C -0.063 175.036 175.510 -0.685 0.000 0.982 360 N CA 0.207 53.042 53.050 -0.358 0.000 0.941 360 N CB 1.280 39.490 38.487 -0.460 0.000 1.120 360 N HN 0.442 nan 8.380 nan 0.000 0.505 361 D N 2.343 122.616 120.400 -0.211 0.000 2.363 361 D HA 0.052 4.692 4.640 0.001 0.000 0.226 361 D C 0.996 177.248 176.300 -0.080 0.000 1.020 361 D CA 0.749 54.730 54.000 -0.033 0.000 0.892 361 D CB 0.584 41.516 40.800 0.220 0.000 0.900 361 D HN 0.385 nan 8.370 nan 0.000 0.531 362 K N -1.041 119.280 120.400 -0.132 0.000 2.172 362 K HA 0.042 4.362 4.320 0.001 0.000 0.203 362 K C 2.072 178.631 176.600 -0.068 0.000 1.040 362 K CA 1.223 57.475 56.287 -0.059 0.000 0.974 362 K CB -0.748 31.732 32.500 -0.032 0.000 0.857 362 K HN 0.235 nan 8.250 nan 0.000 0.464 363 T N -0.399 114.017 114.554 -0.230 0.000 3.055 363 T HA 0.016 4.367 4.350 0.001 0.000 0.265 363 T C 0.406 174.864 174.700 -0.403 0.000 1.111 363 T CA 0.213 62.143 62.100 -0.283 0.000 1.118 363 T CB -0.034 68.551 68.868 -0.472 0.000 0.909 363 T HN 0.000 nan 8.240 nan 0.000 0.501 364 K N 2.077 122.121 120.400 -0.593 0.000 3.096 364 K HA -0.117 4.203 4.320 0.001 0.000 0.266 364 K C 0.006 176.022 176.600 -0.973 0.000 1.043 364 K CA 1.277 57.094 56.287 -0.784 0.000 0.758 364 K CB -2.821 29.365 32.500 -0.523 0.000 1.260 364 K HN 0.909 nan 8.250 nan 0.000 0.481 365 T N -2.430 111.329 114.554 -1.325 0.000 2.909 365 T HA 0.705 5.055 4.350 0.001 0.000 0.299 365 T C -2.929 171.275 174.700 -0.826 0.000 1.073 365 T CA -1.779 59.782 62.100 -0.897 0.000 0.999 365 T CB 3.797 72.389 68.868 -0.461 0.000 1.098 365 T HN -0.145 nan 8.240 nan 0.000 0.477 366 P HA 0.536 nan 4.420 nan 0.000 0.280 366 P C -1.643 175.682 177.300 0.042 0.000 1.272 366 P CA -0.501 62.574 63.100 -0.043 0.000 0.819 366 P CB 0.719 32.330 31.700 -0.148 0.000 1.122 367 Y N -1.933 118.408 120.300 0.068 0.000 2.624 367 Y HA 0.626 5.176 4.550 0.000 0.000 0.334 367 Y C -1.673 174.363 175.900 0.226 0.000 1.155 367 Y CA -1.470 56.691 58.100 0.102 0.000 1.046 367 Y CB 0.555 39.024 38.460 0.015 0.000 1.316 367 Y HN 0.103 nan 8.280 nan 0.000 0.457 368 L N 2.890 124.233 121.223 0.199 0.000 2.331 368 L HA 0.554 4.894 4.340 0.001 0.000 0.275 368 L C -1.380 175.704 176.870 0.357 0.000 1.022 368 L CA -1.122 53.820 54.840 0.171 0.000 0.812 368 L CB 1.882 43.945 42.059 0.007 0.000 1.257 368 L HN 0.785 nan 8.230 nan 0.000 0.435 369 Y N 2.050 122.505 120.300 0.257 0.000 2.386 369 Y HA 0.327 4.877 4.550 0.001 0.000 0.334 369 Y C -0.979 175.093 175.900 0.288 0.000 1.002 369 Y CA -0.922 57.369 58.100 0.318 0.000 1.068 369 Y CB 1.176 39.799 38.460 0.271 0.000 1.203 369 Y HN 0.502 nan 8.280 nan 0.000 0.443 370 H N 6.186 125.107 119.070 -0.249 0.000 2.691 370 H HA 0.504 5.061 4.556 0.001 0.000 0.281 370 H C 0.272 175.139 175.328 -0.770 0.000 1.121 370 H CA 0.574 56.364 56.048 -0.431 0.000 1.254 370 H CB 1.426 31.000 29.762 -0.314 0.000 1.390 370 H HN 0.990 nan 8.280 nan 0.000 0.491 371 A N 3.784 125.963 122.820 -1.067 0.000 1.908 371 A HA -0.226 4.094 4.320 0.001 0.000 0.218 371 A C 2.253 179.656 177.584 -0.302 0.000 1.181 371 A CA 1.793 53.352 52.037 -0.796 0.000 0.627 371 A CB -0.372 18.393 19.000 -0.393 0.000 0.818 371 A HN 0.789 nan 8.150 nan 0.000 0.445 372 Q N -0.589 119.028 119.800 -0.304 0.000 2.020 372 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 372 Q C 1.266 177.313 176.000 0.080 0.000 0.982 372 Q CA 2.048 57.797 55.803 -0.091 0.000 0.838 372 Q CB -0.129 28.541 28.738 -0.114 0.000 0.899 372 Q HN 0.632 nan 8.270 nan 0.000 0.423 373 N N -0.926 117.970 118.700 0.326 0.000 2.353 373 N HA 0.143 4.883 4.740 0.001 0.000 0.185 373 N C -0.198 175.359 175.510 0.077 0.000 1.098 373 N CA 0.875 54.008 53.050 0.139 0.000 0.872 373 N CB 1.059 39.492 38.487 -0.091 0.000 0.970 373 N HN 0.417 nan 8.380 nan 0.000 0.467 374 G N 0.741 109.598 108.800 0.095 0.000 2.326 374 G HA2 -0.236 3.725 3.960 0.001 0.000 0.286 374 G HA3 -0.236 3.725 3.960 0.001 0.000 0.286 374 G C -0.569 174.435 174.900 0.173 0.000 1.096 374 G CA -0.037 45.143 45.100 0.132 0.000 1.003 374 G HN 0.219 nan 8.290 nan 0.000 0.503 375 L N -0.922 120.447 121.223 0.245 0.000 2.342 375 L HA 0.889 5.229 4.340 0.001 0.000 0.271 375 L C -0.213 176.982 176.870 0.543 0.000 1.008 375 L CA -1.352 53.693 54.840 0.342 0.000 0.818 375 L CB 2.007 44.267 42.059 0.335 0.000 1.296 375 L HN 0.168 nan 8.230 nan 0.000 0.427 376 F N 2.332 122.499 119.950 0.361 0.000 2.547 376 F HA 0.726 5.254 4.527 0.000 0.000 0.316 376 F C -1.262 174.767 175.800 0.381 0.000 1.121 376 F CA -0.647 57.563 58.000 0.350 0.000 0.911 376 F CB 1.756 40.838 39.000 0.138 0.000 1.179 376 F HN 0.045 nan 8.300 nan 0.000 0.443 377 V N 4.452 124.115 119.914 -0.418 0.000 2.483 377 V HA 0.440 4.560 4.120 0.001 0.000 0.297 377 V C -0.351 175.468 176.094 -0.457 0.000 1.027 377 V CA -0.726 61.406 62.300 -0.279 0.000 0.855 377 V CB 1.603 33.348 31.823 -0.130 0.000 0.995 377 V HN 0.855 nan 8.190 nan 0.000 0.424 378 T N 5.251 119.661 114.554 -0.242 0.000 2.795 378 T HA 0.760 5.111 4.350 0.001 0.000 0.282 378 T C -0.882 173.938 174.700 0.201 0.000 0.980 378 T CA -0.163 61.912 62.100 -0.042 0.000 1.012 378 T CB 0.553 69.472 68.868 0.085 0.000 0.936 378 T HN 0.837 nan 8.240 nan 0.000 0.457 379 Y N 1.385 121.682 120.300 -0.004 0.000 2.764 379 Y HA 0.795 5.346 4.550 0.001 0.000 0.331 379 Y C -1.577 174.318 175.900 -0.008 0.000 1.280 379 Y CA -1.649 56.442 58.100 -0.014 0.000 1.065 379 Y CB 0.460 38.912 38.460 -0.013 0.000 1.319 379 Y HN 0.504 nan 8.280 nan 0.000 0.453 380 D N 0.391 120.697 120.400 -0.156 0.000 2.419 380 D HA 0.541 5.182 4.640 0.001 0.000 0.234 380 D C -1.379 174.602 176.300 -0.532 0.000 1.014 380 D CA -0.089 53.692 54.000 -0.366 0.000 0.919 380 D CB 1.875 42.584 40.800 -0.150 0.000 1.366 380 D HN 0.731 nan 8.370 nan 0.000 0.490 381 D N -0.834 119.095 120.400 -0.785 0.000 2.825 381 D HA 0.377 5.017 4.640 0.001 0.000 0.327 381 D C 0.337 176.096 176.300 -0.902 0.000 1.277 381 D CA -0.764 52.766 54.000 -0.784 0.000 0.950 381 D CB 0.308 41.018 40.800 -0.150 0.000 1.438 381 D HN 0.284 nan 8.370 nan 0.000 0.526 382 A N -0.544 121.957 122.820 -0.532 0.000 2.024 382 A HA -0.163 4.157 4.320 0.001 0.000 0.220 382 A C 1.869 179.466 177.584 0.022 0.000 1.164 382 A CA 2.302 54.225 52.037 -0.190 0.000 0.643 382 A CB -0.858 18.084 19.000 -0.095 0.000 0.806 382 A HN 0.589 nan 8.150 nan 0.000 0.451 383 E N 0.484 120.664 120.200 -0.033 0.000 2.051 383 E HA -0.116 4.234 4.350 0.001 0.000 0.189 383 E C 2.285 179.065 176.600 0.300 0.000 0.979 383 E CA 1.629 58.052 56.400 0.038 0.000 0.803 383 E CB -0.296 29.324 29.700 -0.132 0.000 0.761 383 E HN 0.643 nan 8.360 nan 0.000 0.451 384 S N -0.315 115.588 115.700 0.338 0.000 2.399 384 S HA -0.126 4.344 4.470 0.001 0.000 0.231 384 S C 1.747 176.621 174.600 0.456 0.000 1.022 384 S CA 0.789 59.261 58.200 0.453 0.000 0.983 384 S CB -0.598 62.674 63.200 0.120 0.000 0.803 384 S HN 0.207 nan 8.310 nan 0.000 0.480 385 F N 2.269 122.318 119.950 0.166 0.000 2.451 385 F HA 0.248 4.775 4.527 0.000 0.000 0.299 385 F C 2.232 178.062 175.800 0.051 0.000 1.101 385 F CA -0.111 57.975 58.000 0.144 0.000 1.436 385 F CB -0.699 38.389 39.000 0.146 0.000 1.074 385 F HN 0.273 nan 8.300 nan 0.000 0.553 386 K N -0.755 119.651 120.400 0.010 0.000 2.025 386 K HA -0.178 4.142 4.320 0.001 0.000 0.207 386 K C 1.962 178.381 176.600 -0.301 0.000 1.049 386 K CA 1.617 57.573 56.287 -0.552 0.000 0.933 386 K CB -0.442 31.642 32.500 -0.694 0.000 0.714 386 K HN 0.210 nan 8.250 nan 0.000 0.438 387 Y N 1.336 121.697 120.300 0.101 0.000 2.200 387 Y HA -0.140 4.411 4.550 0.001 0.000 0.290 387 Y C 2.139 178.137 175.900 0.164 0.000 1.137 387 Y CA 1.178 59.373 58.100 0.159 0.000 1.163 387 Y CB -0.099 38.477 38.460 0.193 0.000 0.988 387 Y HN -0.045 nan 8.280 nan 0.000 0.518 388 K N -0.143 120.430 120.400 0.288 0.000 2.097 388 K HA -0.100 4.221 4.320 0.001 0.000 0.205 388 K C 2.381 179.138 176.600 0.262 0.000 1.050 388 K CA 1.025 57.446 56.287 0.223 0.000 0.938 388 K CB -0.327 32.293 32.500 0.200 0.000 0.718 388 K HN 0.274 nan 8.250 nan 0.000 0.442 389 A N 1.849 124.772 122.820 0.173 0.000 1.930 389 A HA -0.197 4.124 4.320 0.001 0.000 0.217 389 A C 2.053 179.811 177.584 0.290 0.000 1.175 389 A CA 1.601 53.729 52.037 0.151 0.000 0.627 389 A CB -0.317 18.552 19.000 -0.218 0.000 0.815 389 A HN 0.216 nan 8.150 nan 0.000 0.443 390 K N -1.759 118.761 120.400 0.199 0.000 2.097 390 K HA -0.196 4.124 4.320 0.001 0.000 0.206 390 K C 1.873 178.639 176.600 0.277 0.000 1.049 390 K CA 1.661 58.076 56.287 0.213 0.000 0.933 390 K CB -0.411 32.172 32.500 0.140 0.000 0.717 390 K HN 0.504 nan 8.250 nan 0.000 0.442 391 Y N 1.174 121.592 120.300 0.197 0.000 2.145 391 Y HA -0.192 4.358 4.550 0.001 0.000 0.286 391 Y C 1.747 177.757 175.900 0.183 0.000 1.145 391 Y CA 1.813 60.029 58.100 0.194 0.000 1.148 391 Y CB -0.077 38.471 38.460 0.147 0.000 0.981 391 Y HN 0.018 nan 8.280 nan 0.000 0.507 392 I N 0.174 120.974 120.570 0.383 0.000 2.208 392 I HA -0.369 3.801 4.170 0.001 0.000 0.245 392 I C 2.298 178.513 176.117 0.165 0.000 1.097 392 I CA 1.723 63.192 61.300 0.283 0.000 1.363 392 I CB -0.348 37.892 38.000 0.398 0.000 1.051 392 I HN 0.223 nan 8.210 nan 0.000 0.413 393 K N 0.190 120.721 120.400 0.218 0.000 2.031 393 K HA -0.159 4.161 4.320 0.001 0.000 0.205 393 K C 2.174 178.816 176.600 0.071 0.000 1.049 393 K CA 1.200 57.577 56.287 0.151 0.000 0.939 393 K CB -0.194 32.434 32.500 0.213 0.000 0.717 393 K HN 0.365 nan 8.250 nan 0.000 0.438 394 Q N 0.491 120.321 119.800 0.051 0.000 2.096 394 Q HA -0.153 4.188 4.340 0.001 0.000 0.204 394 Q C 1.860 177.822 176.000 -0.064 0.000 0.982 394 Q CA 1.122 56.924 55.803 -0.001 0.000 0.850 394 Q CB 0.093 28.832 28.738 0.002 0.000 0.901 394 Q HN 0.231 nan 8.270 nan 0.000 0.422 395 Q N 0.153 119.859 119.800 -0.158 0.000 2.444 395 Q HA -0.009 4.332 4.340 0.001 0.000 0.206 395 Q C -0.226 175.742 176.000 -0.054 0.000 0.948 395 Q CA 0.309 56.010 55.803 -0.171 0.000 0.946 395 Q CB 0.443 28.960 28.738 -0.369 0.000 1.027 395 Q HN 0.404 nan 8.270 nan 0.000 0.513 396 Q N 0.389 120.179 119.800 -0.017 0.000 2.463 396 Q HA -0.191 4.149 4.340 0.001 0.000 0.299 396 Q C -0.622 175.392 176.000 0.022 0.000 1.353 396 Q CA 0.216 56.024 55.803 0.010 0.000 0.828 396 Q CB -1.917 26.828 28.738 0.012 0.000 1.157 396 Q HN 0.357 nan 8.270 nan 0.000 0.436 397 L N -1.653 119.588 121.223 0.030 0.000 2.468 397 L HA 0.276 4.617 4.340 0.001 0.000 0.254 397 L C 1.798 178.689 176.870 0.036 0.000 1.171 397 L CA 0.469 55.341 54.840 0.054 0.000 0.809 397 L CB 0.210 42.322 42.059 0.089 0.000 1.155 397 L HN 0.323 nan 8.230 nan 0.000 0.473 398 G N -0.678 108.165 108.800 0.071 0.000 2.511 398 G HA2 0.377 4.338 3.960 0.001 0.000 0.217 398 G HA3 0.377 4.338 3.960 0.001 0.000 0.217 398 G C 0.541 175.395 174.900 -0.076 0.000 1.133 398 G CA 0.740 45.899 45.100 0.097 0.000 0.792 398 G HN 0.945 nan 8.290 nan 0.000 0.539 399 G N -1.951 106.778 108.800 -0.118 0.000 2.373 399 G HA2 0.364 4.324 3.960 0.001 0.000 0.250 399 G HA3 0.364 4.324 3.960 0.001 0.000 0.250 399 G C -1.773 173.103 174.900 -0.041 0.000 1.304 399 G CA 0.146 45.112 45.100 -0.222 0.000 0.948 399 G HN 0.789 nan 8.290 nan 0.000 0.474 400 V N 1.262 121.188 119.914 0.019 0.000 2.876 400 V HA 0.870 4.990 4.120 0.001 0.000 0.312 400 V C -0.605 175.541 176.094 0.086 0.000 1.085 400 V CA -0.726 61.656 62.300 0.137 0.000 0.945 400 V CB 1.785 33.781 31.823 0.289 0.000 1.017 400 V HN 1.116 nan 8.190 nan 0.000 0.428 401 M N 6.912 126.584 119.600 0.121 0.000 2.530 401 M HA 0.690 5.170 4.480 0.001 0.000 0.307 401 M C -2.011 174.419 176.300 0.216 0.000 1.161 401 M CA -0.532 54.813 55.300 0.075 0.000 0.903 401 M CB 1.968 34.629 32.600 0.102 0.000 1.711 401 M HN 0.749 nan 8.290 nan 0.000 0.451 402 F N 1.767 121.759 119.950 0.070 0.000 2.631 402 F HA 0.775 5.302 4.527 0.000 0.000 0.308 402 F C -2.088 173.751 175.800 0.065 0.000 1.097 402 F CA -1.062 56.903 58.000 -0.059 0.000 0.952 402 F CB 1.216 39.869 39.000 -0.579 0.000 1.307 402 F HN 0.688 nan 8.300 nan 0.000 0.450 403 W N 4.959 126.285 121.300 0.043 0.000 2.475 403 W HA 0.566 5.226 4.660 0.000 0.000 0.320 403 W C -1.980 174.626 176.519 0.143 0.000 1.022 403 W CA -0.716 56.676 57.345 0.078 0.000 1.240 403 W CB 1.549 30.990 29.460 -0.033 0.000 1.328 403 W HN 1.024 nan 8.180 nan 0.000 0.439 404 H N 2.044 120.933 119.070 -0.302 0.000 2.977 404 H HA 0.405 4.961 4.556 0.001 0.000 0.350 404 H C 0.493 175.692 175.328 -0.215 0.000 1.238 404 H CA -0.918 54.818 56.048 -0.519 0.000 1.124 404 H CB 1.271 30.224 29.762 -1.350 0.000 1.866 404 H HN 0.261 nan 8.280 nan 0.000 0.550 405 L N 0.580 121.819 121.223 0.026 0.000 2.089 405 L HA -0.131 4.209 4.340 0.001 0.000 0.213 405 L C 2.497 178.964 176.870 -0.673 0.000 1.079 405 L CA 1.911 56.772 54.840 0.036 0.000 0.758 405 L CB -0.632 41.615 42.059 0.313 0.000 0.891 405 L HN 1.028 nan 8.230 nan 0.000 0.433 406 G N -1.261 106.979 108.800 -0.934 0.000 2.559 406 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 406 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 406 G C 1.383 175.848 174.900 -0.725 0.000 1.126 406 G CA 0.215 44.489 45.100 -1.376 0.000 0.778 406 G HN 0.473 nan 8.290 nan 0.000 0.543 407 Q N -0.354 119.076 119.800 -0.616 0.000 2.319 407 Q HA 0.110 4.450 4.340 0.001 0.000 0.202 407 Q C 0.234 176.225 176.000 -0.015 0.000 0.896 407 Q CA -0.427 55.219 55.803 -0.262 0.000 0.942 407 Q CB 0.522 29.128 28.738 -0.220 0.000 1.083 407 Q HN 0.273 nan 8.270 nan 0.000 0.510 408 D N 1.774 122.197 120.400 0.037 0.000 2.360 408 D HA -0.024 4.616 4.640 0.001 0.000 0.242 408 D C -0.097 176.234 176.300 0.051 0.000 1.184 408 D CA -0.127 53.886 54.000 0.022 0.000 0.930 408 D CB 0.665 41.510 40.800 0.076 0.000 1.161 408 D HN 0.101 nan 8.370 nan 0.000 0.447 409 N N 0.982 119.744 118.700 0.103 0.000 2.317 409 N HA 0.013 4.753 4.740 0.001 0.000 0.245 409 N C 0.909 176.470 175.510 0.086 0.000 1.294 409 N CA -0.164 52.931 53.050 0.075 0.000 0.924 409 N CB 0.386 38.923 38.487 0.083 0.000 1.186 409 N HN 0.225 nan 8.380 nan 0.000 0.495 410 R N -0.318 120.229 120.500 0.079 0.000 2.127 410 R HA -0.058 4.282 4.340 0.001 0.000 0.238 410 R C 0.523 176.884 176.300 0.101 0.000 1.134 410 R CA 1.035 57.199 56.100 0.108 0.000 0.975 410 R CB -0.719 29.626 30.300 0.075 0.000 0.865 410 R HN 0.628 nan 8.270 nan 0.000 0.447 411 N N -0.285 118.456 118.700 0.069 0.000 2.467 411 N HA -0.028 4.712 4.740 0.001 0.000 0.184 411 N C 0.757 176.300 175.510 0.056 0.000 1.106 411 N CA 0.992 54.074 53.050 0.054 0.000 0.892 411 N CB 0.327 38.832 38.487 0.031 0.000 0.969 411 N HN 0.371 nan 8.380 nan 0.000 0.454 412 G N 1.422 110.265 108.800 0.072 0.000 2.198 412 G HA2 -0.250 3.710 3.960 0.001 0.000 0.257 412 G HA3 -0.250 3.710 3.960 0.001 0.000 0.257 412 G C 0.446 175.335 174.900 -0.020 0.000 1.042 412 G CA 0.387 45.525 45.100 0.064 0.000 0.791 412 G HN 0.226 nan 8.290 nan 0.000 0.502 413 D N -0.118 120.250 120.400 -0.053 0.000 2.144 413 D HA -0.058 4.582 4.640 0.001 0.000 0.199 413 D C 2.725 178.884 176.300 -0.234 0.000 0.984 413 D CA 1.026 54.957 54.000 -0.115 0.000 0.834 413 D CB -0.007 40.749 40.800 -0.072 0.000 0.955 413 D HN 0.557 nan 8.370 nan 0.000 0.465 414 L N 0.095 121.085 121.223 -0.387 0.000 2.056 414 L HA -0.127 4.213 4.340 0.001 0.000 0.207 414 L C 2.411 179.109 176.870 -0.286 0.000 1.078 414 L CA 0.441 54.963 54.840 -0.530 0.000 0.749 414 L CB -0.390 40.913 42.059 -1.260 0.000 0.901 414 L HN 0.076 nan 8.230 nan 0.000 0.433 415 L N 0.514 121.630 121.223 -0.178 0.000 2.046 415 L HA -0.133 4.208 4.340 0.001 0.000 0.208 415 L C 2.617 179.438 176.870 -0.082 0.000 1.077 415 L CA 1.988 56.798 54.840 -0.050 0.000 0.747 415 L CB -0.742 41.379 42.059 0.103 0.000 0.896 415 L HN 0.138 nan 8.230 nan 0.000 0.432 416 A N -0.470 122.284 122.820 -0.110 0.000 1.933 416 A HA -0.085 4.235 4.320 0.001 0.000 0.218 416 A C 2.461 179.867 177.584 -0.297 0.000 1.175 416 A CA 1.797 53.750 52.037 -0.140 0.000 0.628 416 A CB -1.139 17.797 19.000 -0.108 0.000 0.814 416 A HN 0.587 nan 8.150 nan 0.000 0.444 417 A N -0.156 122.426 122.820 -0.398 0.000 1.877 417 A HA -0.048 4.273 4.320 0.001 0.000 0.216 417 A C 2.179 179.069 177.584 -1.157 0.000 1.186 417 A CA 1.503 53.051 52.037 -0.814 0.000 0.620 417 A CB -0.654 18.016 19.000 -0.550 0.000 0.822 417 A HN 0.468 nan 8.150 nan 0.000 0.443 418 L N -0.545 120.318 121.223 -0.600 0.000 2.012 418 L HA -0.230 4.110 4.340 0.001 0.000 0.210 418 L C 2.463 179.080 176.870 -0.423 0.000 1.073 418 L CA 1.934 56.462 54.840 -0.519 0.000 0.748 418 L CB -0.648 41.271 42.059 -0.233 0.000 0.891 418 L HN 0.535 nan 8.230 nan 0.000 0.431 419 D N -0.021 120.260 120.400 -0.198 0.000 2.117 419 D HA -0.244 4.397 4.640 0.001 0.000 0.197 419 D C 2.325 178.562 176.300 -0.105 0.000 0.987 419 D CA 1.211 55.195 54.000 -0.027 0.000 0.829 419 D CB 0.020 40.824 40.800 0.006 0.000 0.961 419 D HN 0.055 nan 8.370 nan 0.000 0.460 420 R N -1.127 119.190 120.500 -0.305 0.000 2.073 420 R HA -0.183 4.157 4.340 0.001 0.000 0.234 420 R C 1.937 178.090 176.300 -0.245 0.000 1.134 420 R CA 1.317 57.249 56.100 -0.281 0.000 0.952 420 R CB -0.425 29.619 30.300 -0.427 0.000 0.850 420 R HN 0.290 nan 8.270 nan 0.000 0.433 421 Y N -0.486 119.496 120.300 -0.528 0.000 2.333 421 Y HA -0.142 4.408 4.550 0.000 0.000 0.290 421 Y C 1.869 177.667 175.900 -0.169 0.000 1.144 421 Y CA 0.647 58.375 58.100 -0.620 0.000 1.228 421 Y CB -0.452 37.566 38.460 -0.737 0.000 0.985 421 Y HN 0.062 nan 8.280 nan 0.000 0.542 422 F N -0.776 119.258 119.950 0.140 0.000 2.446 422 F HA 0.062 4.589 4.527 0.000 0.000 0.292 422 F C 1.682 177.555 175.800 0.121 0.000 1.096 422 F CA 0.533 58.614 58.000 0.135 0.000 1.438 422 F CB -0.250 38.805 39.000 0.092 0.000 1.107 422 F HN 0.026 nan 8.300 nan 0.000 0.546 423 N N -0.461 118.404 118.700 0.275 0.000 2.297 423 N HA 0.221 4.961 4.740 0.001 0.000 0.208 423 N C 0.539 176.138 175.510 0.148 0.000 1.176 423 N CA 0.326 53.490 53.050 0.190 0.000 0.882 423 N CB 0.271 38.851 38.487 0.155 0.000 1.134 423 N HN -0.003 nan 8.380 nan 0.000 0.489 424 A N 1.075 123.979 122.820 0.141 0.000 2.492 424 A HA 0.495 4.816 4.320 0.001 0.000 0.254 424 A C 1.386 179.064 177.584 0.157 0.000 1.091 424 A CA 0.239 52.354 52.037 0.130 0.000 0.768 424 A CB 0.335 19.404 19.000 0.115 0.000 1.028 424 A HN 0.268 nan 8.150 nan 0.000 0.498 425 A N 2.286 125.173 122.820 0.113 0.000 2.067 425 A HA -0.066 4.255 4.320 0.001 0.000 0.219 425 A C 1.251 178.893 177.584 0.097 0.000 1.158 425 A CA 1.671 53.766 52.037 0.096 0.000 0.661 425 A CB -0.369 18.672 19.000 0.069 0.000 0.801 425 A HN 0.878 nan 8.150 nan 0.000 0.452 426 D N -2.736 117.731 120.400 0.112 0.000 2.336 426 D HA 0.113 4.754 4.640 0.001 0.000 0.228 426 D C -0.081 176.313 176.300 0.156 0.000 1.120 426 D CA -0.314 53.748 54.000 0.103 0.000 0.839 426 D CB -0.490 40.359 40.800 0.082 0.000 0.932 426 D HN 0.414 nan 8.370 nan 0.000 0.509 427 Y N 0.945 121.277 120.300 0.054 0.000 2.364 427 Y HA 0.470 5.021 4.550 0.001 0.000 0.340 427 Y C -1.537 174.390 175.900 0.044 0.000 0.975 427 Y CA -1.558 56.580 58.100 0.063 0.000 1.089 427 Y CB 1.757 40.290 38.460 0.122 0.000 1.192 427 Y HN -0.186 nan 8.280 nan 0.000 0.454 428 D N 4.638 124.656 120.400 -0.637 0.000 2.421 428 D HA 0.159 4.800 4.640 0.001 0.000 0.254 428 D C -0.757 175.152 176.300 -0.652 0.000 1.238 428 D CA -0.543 53.174 54.000 -0.472 0.000 0.919 428 D CB 0.746 41.413 40.800 -0.222 0.000 1.152 428 D HN 0.706 nan 8.370 nan 0.000 0.552 429 D N 1.203 121.245 120.400 -0.596 0.000 2.342 429 D HA -0.038 4.602 4.640 0.001 0.000 0.221 429 D C 1.335 177.529 176.300 -0.177 0.000 1.101 429 D CA 0.040 53.795 54.000 -0.409 0.000 0.837 429 D CB -0.019 40.624 40.800 -0.261 0.000 0.938 429 D HN 0.185 nan 8.370 nan 0.000 0.508 430 S N 0.089 115.706 115.700 -0.138 0.000 2.420 430 S HA -0.240 4.230 4.470 0.001 0.000 0.237 430 S C 1.476 176.048 174.600 -0.046 0.000 1.023 430 S CA 0.843 59.005 58.200 -0.063 0.000 0.991 430 S CB -0.315 62.856 63.200 -0.048 0.000 0.792 430 S HN 0.192 nan 8.310 nan 0.000 0.488 431 Q N 0.253 120.011 119.800 -0.069 0.000 2.219 431 Q HA 0.410 4.750 4.340 0.001 0.000 0.209 431 Q C -0.203 175.782 176.000 -0.025 0.000 0.854 431 Q CA -0.261 55.519 55.803 -0.038 0.000 0.960 431 Q CB 0.111 28.825 28.738 -0.041 0.000 1.116 431 Q HN 0.536 nan 8.270 nan 0.000 0.500 432 L N 3.044 124.237 121.223 -0.049 0.000 2.500 432 L HA 0.098 4.438 4.340 0.001 0.000 0.272 432 L C -0.273 176.647 176.870 0.083 0.000 1.149 432 L CA 0.042 54.861 54.840 -0.034 0.000 0.897 432 L CB 0.390 42.356 42.059 -0.153 0.000 1.178 432 L HN -0.105 nan 8.230 nan 0.000 0.473 433 D N 5.199 125.695 120.400 0.161 0.000 2.325 433 D HA 0.074 4.715 4.640 0.001 0.000 0.251 433 D C 0.848 177.355 176.300 0.345 0.000 1.196 433 D CA -0.226 53.893 54.000 0.199 0.000 0.866 433 D CB 0.869 41.762 40.800 0.154 0.000 1.101 433 D HN 0.506 nan 8.370 nan 0.000 0.476 434 M N 2.682 122.462 119.600 0.300 0.000 2.686 434 M HA 0.185 4.665 4.480 0.001 0.000 0.246 434 M C 1.214 177.651 176.300 0.228 0.000 1.096 434 M CA 0.521 56.059 55.300 0.398 0.000 1.076 434 M CB -1.533 31.293 32.600 0.375 0.000 1.504 434 M HN 0.644 nan 8.290 nan 0.000 0.524 435 G N 0.689 109.563 108.800 0.124 0.000 2.796 435 G HA2 -0.213 3.747 3.960 0.001 0.000 0.571 435 G HA3 -0.213 3.747 3.960 0.001 0.000 0.571 435 G C 0.227 175.088 174.900 -0.066 0.000 1.370 435 G CA 0.033 45.157 45.100 0.040 0.000 0.856 435 G HN 0.407 nan 8.290 nan 0.000 0.538 436 T N -1.459 113.061 114.554 -0.057 0.000 3.174 436 T HA 0.595 4.946 4.350 0.001 0.000 0.269 436 T C 1.320 175.960 174.700 -0.099 0.000 1.017 436 T CA 1.047 63.095 62.100 -0.087 0.000 0.899 436 T CB 0.416 69.261 68.868 -0.039 0.000 1.077 436 T HN 1.956 nan 8.240 nan 0.000 0.552 437 G N 1.639 110.375 108.800 -0.107 0.000 2.690 437 G HA2 0.448 4.409 3.960 0.001 0.000 0.239 437 G HA3 0.448 4.409 3.960 0.001 0.000 0.239 437 G C -0.037 174.823 174.900 -0.066 0.000 1.233 437 G CA -0.802 44.281 45.100 -0.028 0.000 0.847 437 G HN 0.596 nan 8.290 nan 0.000 0.588 438 L N 0.768 122.012 121.223 0.036 0.000 2.462 438 L HA 0.254 4.594 4.340 0.001 0.000 0.272 438 L C 0.794 177.750 176.870 0.143 0.000 1.166 438 L CA -0.425 54.447 54.840 0.054 0.000 0.880 438 L CB 0.319 42.421 42.059 0.072 0.000 1.142 438 L HN 0.352 nan 8.230 nan 0.000 0.473 439 R N 1.852 122.407 120.500 0.090 0.000 2.500 439 R HA 0.274 4.614 4.340 0.001 0.000 0.277 439 R C -0.820 175.624 176.300 0.239 0.000 1.026 439 R CA -0.570 55.655 56.100 0.209 0.000 1.058 439 R CB 0.603 30.966 30.300 0.104 0.000 1.078 439 R HN 0.316 nan 8.270 nan 0.000 0.509 440 Y N 1.047 121.474 120.300 0.212 0.000 2.393 440 Y HA 0.098 4.648 4.550 0.000 0.000 0.338 440 Y C 0.706 176.677 175.900 0.118 0.000 1.029 440 Y CA 0.306 58.510 58.100 0.173 0.000 1.239 440 Y CB 0.840 39.418 38.460 0.196 0.000 1.170 440 Y HN 0.711 nan 8.280 nan 0.000 0.515 441 T N 1.623 115.993 114.554 -0.307 0.000 3.174 441 T HA 0.323 4.673 4.350 0.001 0.000 0.269 441 T C 0.764 175.303 174.700 -0.269 0.000 1.017 441 T CA -0.053 61.934 62.100 -0.188 0.000 0.899 441 T CB -0.381 68.414 68.868 -0.123 0.000 1.077 441 T HN 0.796 nan 8.240 nan 0.000 0.552 442 G N 1.778 110.273 108.800 -0.508 0.000 2.432 442 G HA2 0.454 4.414 3.960 0.001 0.000 0.239 442 G HA3 0.454 4.414 3.960 0.001 0.000 0.239 442 G C -0.124 174.716 174.900 -0.099 0.000 1.291 442 G CA -0.195 44.728 45.100 -0.294 0.000 0.863 442 G HN 0.838 nan 8.290 nan 0.000 0.560 443 V N 0.874 120.691 119.914 -0.161 0.000 2.444 443 V HA 0.883 5.003 4.120 0.001 0.000 0.294 443 V C 0.467 176.417 176.094 -0.240 0.000 1.022 443 V CA -0.387 61.826 62.300 -0.144 0.000 0.850 443 V CB 1.274 33.012 31.823 -0.142 0.000 0.992 443 V HN 0.976 nan 8.190 nan 0.000 0.426 444 G N 3.542 112.215 108.800 -0.211 0.000 2.417 444 G HA2 0.660 4.620 3.960 0.001 0.000 0.334 444 G HA3 0.660 4.620 3.960 0.001 0.000 0.334 444 G C -2.011 172.621 174.900 -0.446 0.000 1.150 444 G CA -1.956 42.911 45.100 -0.388 0.000 0.923 444 G HN 0.583 nan 8.290 nan 0.000 0.485 445 P HA -0.012 nan 4.420 nan 0.000 0.229 445 P C 1.371 178.481 177.300 -0.317 0.000 1.150 445 P CA 1.269 64.018 63.100 -0.586 0.000 0.765 445 P CB 0.399 31.593 31.700 -0.843 0.000 0.783 446 G N -0.640 108.029 108.800 -0.218 0.000 3.605 446 G HA2 0.010 3.971 3.960 0.001 0.000 0.277 446 G HA3 0.010 3.971 3.960 0.001 0.000 0.277 446 G C 0.395 175.281 174.900 -0.024 0.000 1.093 446 G CA -0.127 44.941 45.100 -0.052 0.000 0.821 446 G HN 0.333 nan 8.290 nan 0.000 0.532 447 N N 0.127 118.792 118.700 -0.059 0.000 2.528 447 N HA 0.045 4.785 4.740 0.001 0.000 0.266 447 N C -0.653 174.826 175.510 -0.051 0.000 1.528 447 N CA -0.286 52.748 53.050 -0.026 0.000 0.959 447 N CB -0.320 38.174 38.487 0.012 0.000 1.430 447 N HN 0.011 nan 8.380 nan 0.000 0.511 448 L N 1.638 122.821 121.223 -0.067 0.000 2.417 448 L HA 0.459 4.799 4.340 0.001 0.000 0.268 448 L C -1.618 175.220 176.870 -0.053 0.000 1.158 448 L CA -1.388 53.406 54.840 -0.077 0.000 0.819 448 L CB 0.393 42.402 42.059 -0.083 0.000 1.112 448 L HN 0.122 nan 8.230 nan 0.000 0.458 449 P HA 0.141 nan 4.420 nan 0.000 0.276 449 P C -0.622 176.651 177.300 -0.045 0.000 1.252 449 P CA -0.524 62.551 63.100 -0.041 0.000 0.802 449 P CB 0.993 32.671 31.700 -0.036 0.000 1.035 450 I N 1.701 122.247 120.570 -0.040 0.000 2.588 450 I HA 0.188 4.359 4.170 0.001 0.000 0.283 450 I C 0.967 177.063 176.117 -0.035 0.000 1.119 450 I CA 0.556 61.830 61.300 -0.044 0.000 1.419 450 I CB -0.395 37.583 38.000 -0.037 0.000 1.394 450 I HN 0.394 nan 8.210 nan 0.000 0.562 451 M N 4.409 123.987 119.600 -0.036 0.000 2.667 451 M HA 0.417 4.897 4.480 0.001 0.000 0.286 451 M C -0.692 175.601 176.300 -0.011 0.000 1.270 451 M CA -0.611 54.677 55.300 -0.020 0.000 0.826 451 M CB 2.821 35.409 32.600 -0.020 0.000 1.743 451 M HN 0.390 nan 8.290 nan 0.000 0.460 452 T N 1.128 115.685 114.554 0.005 0.000 2.881 452 T HA 0.856 5.206 4.350 0.001 0.000 0.290 452 T C -1.375 173.346 174.700 0.035 0.000 1.000 452 T CA -0.679 61.430 62.100 0.015 0.000 0.978 452 T CB 1.760 70.635 68.868 0.011 0.000 0.997 452 T HN 0.752 nan 8.240 nan 0.000 0.443 453 A N 3.851 126.701 122.820 0.051 0.000 2.612 453 A HA 0.880 5.200 4.320 0.001 0.000 0.293 453 A C -3.124 174.510 177.584 0.084 0.000 1.075 453 A CA -1.659 50.422 52.037 0.074 0.000 0.680 453 A CB 0.779 19.838 19.000 0.098 0.000 1.279 453 A HN 0.567 nan 8.150 nan 0.000 0.411 454 P HA 0.410 nan 4.420 nan 0.000 0.269 454 P C 0.049 177.420 177.300 0.120 0.000 1.209 454 P CA 0.237 63.396 63.100 0.098 0.000 0.776 454 P CB 0.674 32.440 31.700 0.110 0.000 0.876 455 A N 2.771 125.657 122.820 0.110 0.000 2.483 455 A HA 0.098 4.418 4.320 0.001 0.000 0.238 455 A C -0.329 177.352 177.584 0.163 0.000 1.070 455 A CA -0.070 52.051 52.037 0.140 0.000 0.770 455 A CB -0.538 18.530 19.000 0.114 0.000 1.008 455 A HN 0.574 nan 8.150 nan 0.000 0.497 456 Y N 2.088 122.415 120.300 0.046 0.000 2.511 456 Y HA 0.360 4.911 4.550 0.001 0.000 0.332 456 Y C -0.192 175.744 175.900 0.060 0.000 1.177 456 Y CA 0.168 58.239 58.100 -0.049 0.000 1.422 456 Y CB 0.567 38.784 38.460 -0.406 0.000 1.271 456 Y HN 0.350 nan 8.280 nan 0.000 0.550 457 V N 9.336 128.903 119.914 -0.579 0.000 2.313 457 V HA 0.293 4.413 4.120 0.001 0.000 0.278 457 V C -2.227 173.397 176.094 -0.783 0.000 1.017 457 V CA -2.129 59.889 62.300 -0.470 0.000 0.823 457 V CB 0.856 32.560 31.823 -0.198 0.000 1.010 457 V HN 0.742 nan 8.190 nan 0.000 0.443 458 P HA 0.228 nan 4.420 nan 0.000 0.265 458 P C 1.043 178.247 177.300 -0.160 0.000 1.193 458 P CA 1.255 64.171 63.100 -0.306 0.000 0.765 458 P CB 0.672 32.347 31.700 -0.042 0.000 0.823 459 G N 1.166 109.933 108.800 -0.055 0.000 2.175 459 G HA2 -0.190 3.770 3.960 0.001 0.000 0.244 459 G HA3 -0.190 3.770 3.960 0.001 0.000 0.244 459 G C 0.247 175.104 174.900 -0.072 0.000 0.982 459 G CA -0.001 45.078 45.100 -0.036 0.000 0.641 459 G HN 0.604 nan 8.290 nan 0.000 0.527 460 T N 1.333 115.809 114.554 -0.131 0.000 2.907 460 T HA 0.608 4.958 4.350 0.001 0.000 0.284 460 T C 0.101 174.676 174.700 -0.208 0.000 1.004 460 T CA 0.327 62.272 62.100 -0.258 0.000 1.063 460 T CB 1.710 70.269 68.868 -0.515 0.000 0.992 460 T HN 0.162 nan 8.240 nan 0.000 0.483 461 T N 2.940 117.335 114.554 -0.265 0.000 2.770 461 T HA 0.455 4.805 4.350 0.001 0.000 0.283 461 T C -0.975 173.548 174.700 -0.294 0.000 0.988 461 T CA -0.368 61.659 62.100 -0.123 0.000 0.957 461 T CB 0.153 69.006 68.868 -0.024 0.000 0.930 461 T HN 0.375 nan 8.240 nan 0.000 0.443 462 Y N 1.537 121.842 120.300 0.008 0.000 2.342 462 Y HA 0.597 5.147 4.550 0.000 0.000 0.334 462 Y C 0.734 176.531 175.900 -0.172 0.000 1.067 462 Y CA -0.943 57.126 58.100 -0.052 0.000 1.128 462 Y CB 0.958 39.414 38.460 -0.007 0.000 1.200 462 Y HN 0.776 nan 8.280 nan 0.000 0.464 463 A N 2.527 125.332 122.820 -0.026 0.000 2.296 463 A HA 0.242 4.563 4.320 0.001 0.000 0.264 463 A C -0.110 177.409 177.584 -0.108 0.000 1.097 463 A CA -0.712 51.249 52.037 -0.126 0.000 0.811 463 A CB 0.284 19.219 19.000 -0.108 0.000 1.072 463 A HN 0.800 nan 8.150 nan 0.000 0.495 464 Q N -0.524 119.211 119.800 -0.108 0.000 2.330 464 Q HA 0.371 4.711 4.340 0.001 0.000 0.279 464 Q C 1.069 177.026 176.000 -0.071 0.000 1.024 464 Q CA 1.167 56.914 55.803 -0.094 0.000 0.900 464 Q CB 0.178 28.902 28.738 -0.023 0.000 1.221 464 Q HN 1.804 nan 8.270 nan 0.000 0.396 465 G N 2.020 110.765 108.800 -0.091 0.000 2.179 465 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 465 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 465 G C 0.159 175.051 174.900 -0.012 0.000 0.977 465 G CA 0.044 45.119 45.100 -0.042 0.000 0.641 465 G HN 0.995 nan 8.290 nan 0.000 0.533 466 A N -0.270 122.539 122.820 -0.018 0.000 2.445 466 A HA 0.711 5.031 4.320 0.001 0.000 0.242 466 A C 0.279 177.927 177.584 0.107 0.000 1.075 466 A CA 0.340 52.423 52.037 0.076 0.000 0.777 466 A CB 0.417 19.532 19.000 0.191 0.000 1.013 466 A HN 0.954 nan 8.150 nan 0.000 0.493 467 L N 2.055 123.369 121.223 0.152 0.000 2.346 467 L HA 0.687 5.028 4.340 0.001 0.000 0.276 467 L C -0.271 176.709 176.870 0.183 0.000 1.006 467 L CA -0.741 54.207 54.840 0.180 0.000 0.817 467 L CB 1.963 44.094 42.059 0.120 0.000 1.272 467 L HN 0.700 nan 8.230 nan 0.000 0.421 468 V N -0.617 119.415 119.914 0.197 0.000 3.114 468 V HA 0.819 4.939 4.120 0.001 0.000 0.308 468 V C -0.382 175.827 176.094 0.192 0.000 1.168 468 V CA -0.701 61.675 62.300 0.127 0.000 1.015 468 V CB 2.032 33.825 31.823 -0.050 0.000 1.050 468 V HN 0.744 nan 8.190 nan 0.000 0.433 469 S N 1.819 117.632 115.700 0.189 0.000 2.509 469 S HA 0.864 5.334 4.470 0.001 0.000 0.297 469 S C -1.083 173.712 174.600 0.325 0.000 1.118 469 S CA -0.546 57.794 58.200 0.234 0.000 1.074 469 S CB 1.305 64.584 63.200 0.132 0.000 1.038 469 S HN 1.722 nan 8.310 nan 0.000 0.498 470 Y N 1.145 121.576 120.300 0.218 0.000 2.357 470 Y HA 0.241 4.791 4.550 0.001 0.000 0.319 470 Y C -0.560 175.498 175.900 0.264 0.000 1.225 470 Y CA -0.456 57.715 58.100 0.118 0.000 1.095 470 Y CB 1.099 39.426 38.460 -0.221 0.000 1.302 470 Y HN 0.955 nan 8.280 nan 0.000 0.429 471 Q N 4.357 123.966 119.800 -0.319 0.000 2.435 471 Q HA -0.252 4.089 4.340 0.001 0.000 0.312 471 Q C 1.059 177.055 176.000 -0.006 0.000 1.333 471 Q CA 1.507 57.186 55.803 -0.207 0.000 0.883 471 Q CB -1.534 27.036 28.738 -0.280 0.000 1.170 471 Q HN 1.583 nan 8.270 nan 0.000 0.443 472 G N -2.118 106.626 108.800 -0.093 0.000 2.176 472 G HA2 -0.333 3.628 3.960 0.001 0.000 0.253 472 G HA3 -0.333 3.628 3.960 0.001 0.000 0.253 472 G C -0.311 174.237 174.900 -0.587 0.000 0.979 472 G CA 0.438 45.346 45.100 -0.320 0.000 0.641 472 G HN 0.408 nan 8.290 nan 0.000 0.530 473 Y N -1.368 118.909 120.300 -0.037 0.000 2.605 473 Y HA 0.658 5.209 4.550 0.001 0.000 0.343 473 Y C 0.251 176.024 175.900 -0.211 0.000 1.036 473 Y CA -1.189 56.751 58.100 -0.267 0.000 1.065 473 Y CB 2.074 40.091 38.460 -0.737 0.000 1.288 473 Y HN 0.087 nan 8.280 nan 0.000 0.481 474 V N 1.329 121.169 119.914 -0.123 0.000 2.427 474 V HA 0.315 4.435 4.120 0.001 0.000 0.286 474 V C -1.253 174.753 176.094 -0.146 0.000 1.034 474 V CA -0.836 61.456 62.300 -0.014 0.000 0.893 474 V CB 0.624 32.447 31.823 -0.000 0.000 0.982 474 V HN 0.644 nan 8.190 nan 0.000 0.452 475 W N 2.681 124.007 121.300 0.043 0.000 2.761 475 W HA 0.723 5.383 4.660 0.001 0.000 0.340 475 W C -0.151 176.499 176.519 0.219 0.000 1.072 475 W CA -0.587 56.814 57.345 0.094 0.000 1.215 475 W CB 1.429 30.890 29.460 0.001 0.000 1.420 475 W HN 0.425 nan 8.180 nan 0.000 0.519 476 Q N 1.212 121.268 119.800 0.427 0.000 2.365 476 Q HA 0.518 4.859 4.340 0.001 0.000 0.269 476 Q C -0.165 175.842 176.000 0.012 0.000 1.061 476 Q CA -0.605 55.324 55.803 0.209 0.000 0.816 476 Q CB 1.921 30.708 28.738 0.082 0.000 1.325 476 Q HN 0.544 nan 8.270 nan 0.000 0.446 477 T N 0.375 114.735 114.554 -0.324 0.000 2.897 477 T HA 0.308 4.658 4.350 0.001 0.000 0.294 477 T C 0.406 174.856 174.700 -0.418 0.000 1.004 477 T CA -0.504 61.164 62.100 -0.719 0.000 1.106 477 T CB 1.147 69.472 68.868 -0.905 0.000 0.949 477 T HN 0.689 nan 8.240 nan 0.000 0.520 478 K N 1.254 121.345 120.400 -0.514 0.000 2.361 478 K HA 0.242 4.563 4.320 0.001 0.000 0.194 478 K C -0.222 176.440 176.600 0.102 0.000 1.032 478 K CA -0.104 56.090 56.287 -0.155 0.000 1.048 478 K CB 0.264 32.756 32.500 -0.015 0.000 0.842 478 K HN 0.847 nan 8.250 nan 0.000 0.526 479 W N -1.670 119.546 121.300 -0.139 0.000 2.940 479 W HA 0.617 5.277 4.660 0.001 0.000 0.394 479 W C -0.332 176.117 176.519 -0.117 0.000 1.155 479 W CA -1.438 55.849 57.345 -0.096 0.000 1.165 479 W CB -0.108 29.316 29.460 -0.061 0.000 1.492 479 W HN -0.184 nan 8.180 nan 0.000 0.593 480 G N -1.212 107.742 108.800 0.256 0.000 2.557 480 G HA2 0.468 4.428 3.960 0.001 0.000 0.302 480 G HA3 0.468 4.428 3.960 0.001 0.000 0.302 480 G C -1.197 173.818 174.900 0.192 0.000 1.311 480 G CA -0.854 44.281 45.100 0.059 0.000 1.030 480 G HN 1.003 nan 8.290 nan 0.000 0.509 481 Y N -2.183 118.149 120.300 0.054 0.000 3.168 481 Y HA -0.160 4.391 4.550 0.001 0.000 0.207 481 Y C 0.470 176.405 175.900 0.058 0.000 1.280 481 Y CA -0.295 57.838 58.100 0.056 0.000 1.235 481 Y CB -1.603 36.900 38.460 0.073 0.000 1.370 481 Y HN 0.167 nan 8.280 nan 0.000 0.537 482 I N 1.109 121.722 120.570 0.071 0.000 2.379 482 I HA 0.073 4.243 4.170 0.001 0.000 0.290 482 I C 1.407 177.650 176.117 0.211 0.000 1.063 482 I CA 0.642 61.957 61.300 0.025 0.000 1.351 482 I CB 0.830 38.644 38.000 -0.311 0.000 1.410 482 I HN 0.409 nan 8.210 nan 0.000 0.505 483 T N 0.344 115.024 114.554 0.210 0.000 3.044 483 T HA 0.136 4.486 4.350 0.001 0.000 0.260 483 T C 0.712 175.566 174.700 0.256 0.000 1.019 483 T CA -0.306 61.932 62.100 0.231 0.000 0.921 483 T CB 0.035 68.997 68.868 0.156 0.000 1.053 483 T HN 0.523 nan 8.240 nan 0.000 0.533 484 S N 1.275 117.124 115.700 0.248 0.000 2.646 484 S HA 0.798 5.268 4.470 0.001 0.000 0.276 484 S C 0.245 174.919 174.600 0.124 0.000 1.222 484 S CA -0.803 57.504 58.200 0.179 0.000 1.014 484 S CB 1.183 64.465 63.200 0.136 0.000 0.991 484 S HN 0.602 nan 8.310 nan 0.000 0.533 485 A N 1.766 124.441 122.820 -0.241 0.000 2.302 485 A HA 0.688 5.008 4.320 0.001 0.000 0.285 485 A C -2.588 174.207 177.584 -1.314 0.000 1.105 485 A CA -1.948 49.471 52.037 -1.030 0.000 0.816 485 A CB -0.654 17.863 19.000 -0.804 0.000 1.067 485 A HN 0.655 nan 8.150 nan 0.000 0.489 486 P HA 0.431 nan 4.420 nan 0.000 0.268 486 P C 0.728 177.128 177.300 -1.500 0.000 1.208 486 P CA 1.262 62.923 63.100 -2.399 0.000 0.777 486 P CB 0.849 30.729 31.700 -3.033 0.000 0.875 487 G N 0.475 108.462 108.800 -1.356 0.000 2.366 487 G HA2 -0.033 3.927 3.960 0.001 0.000 0.190 487 G HA3 -0.033 3.927 3.960 0.001 0.000 0.190 487 G C 0.948 175.755 174.900 -0.156 0.000 1.299 487 G CA 0.182 44.941 45.100 -0.568 0.000 1.056 487 G HN 0.408 nan 8.290 nan 0.000 0.468 488 S N 0.300 115.982 115.700 -0.030 0.000 2.419 488 S HA -0.022 4.448 4.470 0.001 0.000 0.233 488 S C 0.978 175.612 174.600 0.057 0.000 1.016 488 S CA 1.653 59.884 58.200 0.052 0.000 0.974 488 S CB -0.533 62.700 63.200 0.055 0.000 0.786 488 S HN 1.106 nan 8.310 nan 0.000 0.492 489 D N 2.519 122.926 120.400 0.012 0.000 2.583 489 D HA -0.056 4.584 4.640 0.001 0.000 0.232 489 D C 1.375 177.733 176.300 0.097 0.000 1.128 489 D CA 0.901 54.936 54.000 0.058 0.000 0.859 489 D CB 1.068 41.892 40.800 0.041 0.000 1.169 489 D HN 0.399 nan 8.370 nan 0.000 0.481 490 S N 3.241 119.024 115.700 0.137 0.000 2.402 490 S HA -0.236 4.234 4.470 0.001 0.000 0.233 490 S C 2.002 176.597 174.600 -0.008 0.000 1.030 490 S CA 1.086 59.398 58.200 0.188 0.000 1.003 490 S CB -0.431 62.981 63.200 0.353 0.000 0.813 490 S HN 0.647 nan 8.310 nan 0.000 0.477 491 A N 0.109 122.749 122.820 -0.299 0.000 2.067 491 A HA 0.185 4.506 4.320 0.001 0.000 0.219 491 A C 0.503 177.573 177.584 -0.858 0.000 1.158 491 A CA 0.243 51.581 52.037 -1.166 0.000 0.661 491 A CB -0.520 17.779 19.000 -1.169 0.000 0.801 491 A HN 0.707 nan 8.150 nan 0.000 0.452 492 W N -1.297 119.801 121.300 -0.338 0.000 2.520 492 W HA 0.584 5.245 4.660 0.000 0.000 0.323 492 W C -0.560 176.007 176.519 0.079 0.000 1.062 492 W CA -0.849 56.395 57.345 -0.169 0.000 1.215 492 W CB 1.238 30.533 29.460 -0.276 0.000 1.340 492 W HN 0.046 nan 8.180 nan 0.000 0.516 493 L N 3.937 125.385 121.223 0.376 0.000 2.305 493 L HA 0.446 4.786 4.340 0.001 0.000 0.284 493 L C -0.156 176.801 176.870 0.144 0.000 1.013 493 L CA -1.027 53.949 54.840 0.226 0.000 0.819 493 L CB 0.900 43.006 42.059 0.079 0.000 1.227 493 L HN 0.255 nan 8.230 nan 0.000 0.417 494 K N 3.683 123.973 120.400 -0.183 0.000 2.412 494 K HA 0.197 4.518 4.320 0.001 0.000 0.284 494 K C 0.618 176.991 176.600 -0.378 0.000 1.046 494 K CA 0.379 56.244 56.287 -0.703 0.000 0.999 494 K CB 0.752 32.622 32.500 -1.050 0.000 0.941 494 K HN 0.687 nan 8.250 nan 0.000 0.474 495 V N -0.115 119.628 119.914 -0.284 0.000 3.562 495 V HA 0.377 4.497 4.120 0.001 0.000 0.270 495 V C 0.524 176.534 176.094 -0.139 0.000 1.418 495 V CA 0.229 62.428 62.300 -0.167 0.000 1.033 495 V CB 0.754 32.531 31.823 -0.077 0.000 0.820 495 V HN 0.687 nan 8.190 nan 0.000 0.441 496 G N -0.042 108.672 108.800 -0.143 0.000 2.649 496 G HA2 0.677 4.637 3.960 0.001 0.000 0.290 496 G HA3 0.677 4.637 3.960 0.001 0.000 0.290 496 G C -1.633 173.231 174.900 -0.059 0.000 1.426 496 G CA -1.159 43.890 45.100 -0.085 0.000 0.794 496 G HN 0.182 nan 8.290 nan 0.000 0.483 497 R N -0.493 119.960 120.500 -0.077 0.000 2.589 497 R HA 0.586 4.927 4.340 0.001 0.000 0.293 497 R C -0.571 175.639 176.300 -0.150 0.000 0.963 497 R CA -0.696 55.305 56.100 -0.165 0.000 0.905 497 R CB 2.446 32.648 30.300 -0.163 0.000 1.144 497 R HN 0.290 nan 8.270 nan 0.000 0.459 498 V N 3.046 122.842 119.914 -0.197 0.000 2.530 498 V HA 0.210 4.330 4.120 0.001 0.000 0.282 498 V C 0.815 176.840 176.094 -0.116 0.000 1.048 498 V CA -0.173 62.053 62.300 -0.123 0.000 0.997 498 V CB 1.224 32.980 31.823 -0.113 0.000 0.987 498 V HN 0.957 nan 8.190 nan 0.000 0.477 499 A N 0.000 122.775 122.820 -0.074 0.000 2.254 499 A HA 0.000 4.320 4.320 0.001 0.000 0.244 499 A CA 0.000 51.999 52.037 -0.064 0.000 0.836 499 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486