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 1sa5_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 176.965 177.300 -0.558 0.000 1.155 17 P CA 0.000 62.757 63.100 -0.572 0.000 0.800 17 P CB 0.000 30.959 31.700 -1.234 0.000 0.726 18 V N 1.485 121.214 119.914 -0.310 0.000 2.515 18 V HA -0.075 4.045 4.120 -0.000 0.000 0.250 18 V C 1.354 177.377 176.094 -0.118 0.000 1.058 18 V CA 1.813 64.023 62.300 -0.150 0.000 1.064 18 V CB -0.468 31.349 31.823 -0.010 0.000 0.675 18 V HN 0.693 nan 8.190 nan 0.000 0.461 19 W N -0.371 120.927 121.300 -0.003 0.000 2.584 19 W HA 0.207 4.867 4.660 -0.000 0.000 0.264 19 W C 0.890 177.404 176.519 -0.008 0.000 1.264 19 W CA 0.166 57.509 57.345 -0.002 0.000 1.306 19 W CB -1.293 28.167 29.460 0.000 0.000 1.110 19 W HN 0.250 nan 8.180 nan 0.000 0.606 20 S N 1.969 117.239 115.700 -0.716 0.000 2.562 20 S HA 0.077 4.547 4.470 -0.000 0.000 0.281 20 S C -0.241 174.218 174.600 -0.236 0.000 1.333 20 S CA 0.077 57.912 58.200 -0.608 0.000 1.052 20 S CB 1.167 63.839 63.200 -0.881 0.000 0.884 20 S HN 0.137 nan 8.310 nan 0.000 0.506 21 E N 3.657 123.780 120.200 -0.128 0.000 2.113 21 E HA 0.325 4.675 4.350 -0.000 0.000 0.273 21 E C -1.624 174.908 176.600 -0.114 0.000 0.924 21 E CA -2.211 54.128 56.400 -0.102 0.000 0.764 21 E CB 0.995 30.652 29.700 -0.071 0.000 1.104 21 E HN 0.207 nan 8.360 nan 0.000 0.406 22 P HA -0.107 nan 4.420 nan 0.000 0.218 22 P C 0.085 177.333 177.300 -0.087 0.000 1.149 22 P CA 0.695 63.736 63.100 -0.099 0.000 0.817 22 P CB 0.330 31.968 31.700 -0.102 0.000 0.785 23 L N 0.125 121.267 121.223 -0.134 0.000 2.315 23 L HA 0.111 4.451 4.340 -0.000 0.000 0.283 23 L C 1.979 178.743 176.870 -0.177 0.000 1.089 23 L CA -0.554 54.186 54.840 -0.167 0.000 0.833 23 L CB 0.160 42.057 42.059 -0.270 0.000 1.170 23 L HN -0.132 nan 8.230 nan 0.000 0.442 24 Y N 2.933 123.083 120.300 -0.250 0.000 2.151 24 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 24 Y C 2.339 177.934 175.900 -0.508 0.000 1.166 24 Y CA 2.163 60.106 58.100 -0.262 0.000 1.163 24 Y CB 0.243 38.582 38.460 -0.201 0.000 0.974 24 Y HN 0.656 nan 8.280 nan 0.000 0.511 25 S N -0.084 115.162 115.700 -0.757 0.000 2.489 25 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 25 S C 1.586 175.427 174.600 -1.264 0.000 0.995 25 S CA 1.008 58.267 58.200 -1.567 0.000 0.934 25 S CB -0.143 61.907 63.200 -1.915 0.000 0.771 25 S HN 0.459 nan 8.310 nan 0.000 0.522 26 L N 0.403 121.200 121.223 -0.711 0.000 2.640 26 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 26 L C 0.635 177.371 176.870 -0.223 0.000 1.123 26 L CA -0.039 54.560 54.840 -0.402 0.000 0.900 26 L CB -0.107 41.761 42.059 -0.317 0.000 1.146 26 L HN 0.072 nan 8.230 nan 0.000 0.484 27 R N 1.599 121.955 120.500 -0.240 0.000 2.694 27 R HA 0.043 4.383 4.340 -0.000 0.000 0.268 27 R C -1.125 175.162 176.300 -0.021 0.000 1.061 27 R CA -1.112 54.928 56.100 -0.101 0.000 1.133 27 R CB 0.301 30.534 30.300 -0.111 0.000 1.020 27 R HN -0.122 nan 8.270 nan 0.000 0.475 28 P HA -0.155 nan 4.420 nan 0.000 0.217 28 P C 0.090 177.420 177.300 0.049 0.000 1.150 28 P CA 1.375 64.505 63.100 0.051 0.000 0.832 28 P CB 0.280 32.013 31.700 0.056 0.000 0.787 29 E N -0.753 119.465 120.200 0.031 0.000 2.160 29 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 29 E C 2.099 178.701 176.600 0.004 0.000 0.991 29 E CA 1.068 57.477 56.400 0.014 0.000 0.810 29 E CB -1.377 28.327 29.700 0.006 0.000 0.742 29 E HN 0.425 nan 8.360 nan 0.000 0.466 30 H N 0.489 119.491 119.070 -0.113 0.000 2.394 30 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 30 H C 1.902 177.275 175.328 0.075 0.000 1.113 30 H CA 1.769 57.744 56.048 -0.121 0.000 1.277 30 H CB -0.275 29.338 29.762 -0.247 0.000 1.370 30 H HN 0.220 nan 8.280 nan 0.000 0.506 31 A N 0.782 123.675 122.820 0.121 0.000 2.032 31 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 31 A C 2.303 179.893 177.584 0.010 0.000 1.165 31 A CA 1.696 53.802 52.037 0.116 0.000 0.645 31 A CB -0.453 18.605 19.000 0.097 0.000 0.807 31 A HN 0.513 nan 8.150 nan 0.000 0.453 32 R N -0.332 120.157 120.500 -0.019 0.000 2.285 32 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 32 R C 0.658 176.922 176.300 -0.060 0.000 1.068 32 R CA 0.841 56.919 56.100 -0.036 0.000 1.004 32 R CB -0.063 30.222 30.300 -0.025 0.000 0.873 32 R HN 0.461 nan 8.270 nan 0.000 0.467 33 E N 0.666 120.810 120.200 -0.093 0.000 2.489 33 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 33 E C 0.253 176.822 176.600 -0.052 0.000 1.057 33 E CA 0.175 56.530 56.400 -0.074 0.000 0.866 33 E CB 0.122 29.709 29.700 -0.188 0.000 0.916 33 E HN 0.094 nan 8.360 nan 0.000 0.500 34 R N 0.767 121.172 120.500 -0.159 0.000 2.694 34 R HA 0.105 4.445 4.340 -0.000 0.000 0.268 34 R C 0.519 176.709 176.300 -0.184 0.000 1.061 34 R CA -0.700 55.203 56.100 -0.328 0.000 1.133 34 R CB 0.165 30.264 30.300 -0.335 0.000 1.020 34 R HN 0.061 nan 8.270 nan 0.000 0.475 35 L N 1.835 122.945 121.223 -0.189 0.000 2.525 35 L HA -0.063 4.277 4.340 -0.000 0.000 0.278 35 L C -0.076 176.746 176.870 -0.081 0.000 1.218 35 L CA 1.117 55.893 54.840 -0.106 0.000 0.878 35 L CB 0.257 42.259 42.059 -0.095 0.000 1.127 35 L HN 0.416 nan 8.230 nan 0.000 0.492 36 Q N 3.140 122.908 119.800 -0.053 0.000 2.462 36 Q HA 0.163 4.503 4.340 -0.000 0.000 0.247 36 Q C -0.247 175.736 176.000 -0.028 0.000 1.044 36 Q CA -0.367 55.413 55.803 -0.039 0.000 0.803 36 Q CB 0.805 29.525 28.738 -0.030 0.000 1.190 36 Q HN 0.738 nan 8.270 nan 0.000 0.507 37 D N 1.564 121.947 120.400 -0.028 0.000 2.324 37 D HA -0.101 4.539 4.640 -0.000 0.000 0.235 37 D C -0.405 175.887 176.300 -0.013 0.000 1.095 37 D CA -0.018 53.971 54.000 -0.019 0.000 0.871 37 D CB 0.190 40.978 40.800 -0.020 0.000 0.906 37 D HN 0.406 nan 8.370 nan 0.000 0.522 38 D N 0.120 120.512 120.400 -0.013 0.000 2.792 38 D HA -0.243 4.397 4.640 -0.000 0.000 0.231 38 D C -0.147 176.148 176.300 -0.008 0.000 1.160 38 D CA 1.124 55.118 54.000 -0.009 0.000 0.697 38 D CB -1.790 39.008 40.800 -0.005 0.000 1.070 38 D HN 0.272 nan 8.370 nan 0.000 0.426 39 S N -2.643 113.051 115.700 -0.010 0.000 3.402 39 S HA -0.228 4.242 4.470 -0.000 0.000 0.329 39 S C 0.255 174.852 174.600 -0.006 0.000 1.194 39 S CA 0.929 59.124 58.200 -0.009 0.000 0.951 39 S CB -0.722 62.474 63.200 -0.008 0.000 0.975 39 S HN 0.392 nan 8.310 nan 0.000 0.574 40 V N 1.356 121.266 119.914 -0.005 0.000 2.326 40 V HA 0.364 4.483 4.120 -0.000 0.000 0.281 40 V C 0.233 176.326 176.094 -0.003 0.000 1.015 40 V CA -0.499 61.800 62.300 -0.003 0.000 0.823 40 V CB 1.663 33.486 31.823 -0.000 0.000 1.009 40 V HN 0.310 nan 8.190 nan 0.000 0.436 41 E N 3.022 123.221 120.200 -0.002 0.000 2.197 41 E HA 0.639 4.989 4.350 -0.000 0.000 0.281 41 E C -0.052 176.550 176.600 0.002 0.000 0.995 41 E CA -0.208 56.191 56.400 -0.002 0.000 0.808 41 E CB 1.748 31.447 29.700 -0.003 0.000 1.093 41 E HN 0.876 nan 8.360 nan 0.000 0.394 42 T N -1.670 112.886 114.554 0.004 0.000 2.865 42 T HA 0.206 4.556 4.350 -0.000 0.000 0.294 42 T C 0.968 175.674 174.700 0.009 0.000 1.119 42 T CA -0.819 61.286 62.100 0.008 0.000 1.007 42 T CB 1.002 69.877 68.868 0.012 0.000 1.225 42 T HN 0.104 nan 8.240 nan 0.000 0.515 43 V N 1.126 121.047 119.914 0.013 0.000 2.380 43 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 43 V C 2.867 178.970 176.094 0.016 0.000 1.063 43 V CA 2.715 65.023 62.300 0.015 0.000 1.055 43 V CB -1.325 30.509 31.823 0.019 0.000 0.657 43 V HN 1.102 nan 8.190 nan 0.000 0.455 44 T N 0.172 114.737 114.554 0.018 0.000 2.777 44 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 44 T C 2.115 176.821 174.700 0.010 0.000 1.040 44 T CA 1.843 63.954 62.100 0.019 0.000 1.141 44 T CB -0.301 68.581 68.868 0.023 0.000 0.868 44 T HN 0.755 nan 8.240 nan 0.000 0.444 45 S N 1.515 117.218 115.700 0.004 0.000 2.371 45 S HA 0.006 4.476 4.470 -0.000 0.000 0.224 45 S C 2.114 176.709 174.600 -0.009 0.000 1.029 45 S CA 0.635 58.832 58.200 -0.005 0.000 0.978 45 S CB -0.802 62.393 63.200 -0.008 0.000 0.833 45 S HN 0.464 nan 8.310 nan 0.000 0.466 46 I N 1.910 122.477 120.570 -0.004 0.000 2.163 46 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 46 I C 2.932 179.047 176.117 -0.003 0.000 1.085 46 I CA 1.572 62.870 61.300 -0.005 0.000 1.347 46 I CB -0.392 37.608 38.000 0.000 0.000 1.044 46 I HN 0.269 nan 8.210 nan 0.000 0.408 47 E N 0.290 120.492 120.200 0.005 0.000 2.072 47 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 47 E C 2.042 178.647 176.600 0.008 0.000 0.985 47 E CA 1.170 57.576 56.400 0.010 0.000 0.801 47 E CB -0.315 29.396 29.700 0.019 0.000 0.750 47 E HN 0.415 nan 8.360 nan 0.000 0.452 48 Q N 0.767 120.569 119.800 0.003 0.000 2.119 48 Q HA -0.027 4.313 4.340 -0.000 0.000 0.201 48 Q C 1.888 177.876 176.000 -0.019 0.000 0.972 48 Q CA 1.777 57.579 55.803 -0.002 0.000 0.847 48 Q CB -0.365 28.368 28.738 -0.008 0.000 0.903 48 Q HN 0.195 nan 8.270 nan 0.000 0.433 49 A N 0.468 123.270 122.820 -0.031 0.000 1.898 49 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 49 A C 1.995 179.555 177.584 -0.039 0.000 1.181 49 A CA 1.640 53.646 52.037 -0.052 0.000 0.620 49 A CB -0.443 18.530 19.000 -0.046 0.000 0.819 49 A HN 0.403 nan 8.150 nan 0.000 0.442 50 K N -0.441 119.949 120.400 -0.017 0.000 2.044 50 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 50 K C 1.892 178.492 176.600 0.001 0.000 1.049 50 K CA 1.640 57.922 56.287 -0.007 0.000 0.927 50 K CB -0.468 32.033 32.500 0.001 0.000 0.713 50 K HN 0.291 nan 8.250 nan 0.000 0.443 51 V N 1.915 121.837 119.914 0.013 0.000 2.295 51 V HA -0.252 3.867 4.120 -0.000 0.000 0.246 51 V C 2.070 178.194 176.094 0.050 0.000 1.049 51 V CA 1.818 64.140 62.300 0.037 0.000 1.024 51 V CB -0.451 31.404 31.823 0.054 0.000 0.648 51 V HN 0.351 nan 8.190 nan 0.000 0.447 52 E N -0.393 119.821 120.200 0.024 0.000 2.085 52 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 52 E C 2.307 178.898 176.600 -0.016 0.000 0.994 52 E CA 1.248 57.648 56.400 -0.001 0.000 0.801 52 E CB -0.192 29.349 29.700 -0.265 0.000 0.743 52 E HN 0.584 nan 8.360 nan 0.000 0.453 53 E N 1.156 121.330 120.200 -0.043 0.000 2.077 53 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 53 E C 2.016 178.625 176.600 0.015 0.000 0.989 53 E CA 1.096 57.485 56.400 -0.019 0.000 0.800 53 E CB 0.083 29.771 29.700 -0.019 0.000 0.746 53 E HN -0.051 nan 8.360 nan 0.000 0.452 54 K N 0.599 121.006 120.400 0.011 0.000 2.097 54 K HA -0.076 4.243 4.320 -0.000 0.000 0.205 54 K C 1.984 178.565 176.600 -0.032 0.000 1.050 54 K CA 0.786 57.073 56.287 -0.001 0.000 0.938 54 K CB -0.174 32.326 32.500 0.000 0.000 0.718 54 K HN 0.091 nan 8.250 nan 0.000 0.442 55 I N 0.916 121.472 120.570 -0.024 0.000 2.439 55 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 55 I C 2.167 178.085 176.117 -0.331 0.000 1.139 55 I CA 1.132 62.309 61.300 -0.204 0.000 1.438 55 I CB -1.107 36.817 38.000 -0.126 0.000 1.085 55 I HN 0.329 nan 8.210 nan 0.000 0.427 56 Q N 1.529 121.356 119.800 0.046 0.000 2.124 56 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 56 Q C 2.023 178.059 176.000 0.060 0.000 0.977 56 Q CA 1.662 57.580 55.803 0.191 0.000 0.850 56 Q CB -0.108 28.783 28.738 0.254 0.000 0.901 56 Q HN 0.482 nan 8.270 nan 0.000 0.429 57 E N -1.074 119.137 120.200 0.017 0.000 2.085 57 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 57 E C 1.928 178.503 176.600 -0.040 0.000 0.994 57 E CA 1.491 57.898 56.400 0.012 0.000 0.801 57 E CB -0.003 29.712 29.700 0.024 0.000 0.743 57 E HN 0.205 nan 8.360 nan 0.000 0.453 58 V N 0.832 120.698 119.914 -0.080 0.000 2.261 58 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 58 V C 2.010 178.171 176.094 0.112 0.000 1.047 58 V CA 1.793 64.058 62.300 -0.058 0.000 1.015 58 V CB -0.649 31.096 31.823 -0.130 0.000 0.642 58 V HN 0.295 nan 8.190 nan 0.000 0.446 59 F N 0.394 120.366 119.950 0.035 0.000 2.095 59 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 59 F C 2.701 178.507 175.800 0.010 0.000 1.104 59 F CA 1.381 59.400 58.000 0.031 0.000 1.232 59 F CB -0.368 38.607 39.000 -0.041 0.000 0.987 59 F HN 0.109 nan 8.300 nan 0.000 0.475 60 S N -0.147 115.578 115.700 0.042 0.000 2.481 60 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 60 S C 2.068 176.346 174.600 -0.535 0.000 0.996 60 S CA 0.952 58.920 58.200 -0.386 0.000 0.942 60 S CB -0.435 62.295 63.200 -0.783 0.000 0.768 60 S HN 0.464 nan 8.310 nan 0.000 0.520 61 S N 1.188 116.731 115.700 -0.262 0.000 2.392 61 S HA -0.252 4.218 4.470 -0.000 0.000 0.232 61 S C 1.561 176.000 174.600 -0.267 0.000 1.041 61 S CA 1.441 59.482 58.200 -0.265 0.000 1.026 61 S CB -0.945 62.065 63.200 -0.317 0.000 0.845 61 S HN 0.601 nan 8.310 nan 0.000 0.465 62 Y N 2.035 122.264 120.300 -0.118 0.000 2.181 62 Y HA 0.062 4.612 4.550 -0.000 0.000 0.288 62 Y C 2.712 178.565 175.900 -0.079 0.000 1.146 62 Y CA 1.242 59.298 58.100 -0.074 0.000 1.164 62 Y CB -0.454 37.972 38.460 -0.057 0.000 0.982 62 Y HN 0.266 nan 8.280 nan 0.000 0.515 63 K N 0.083 120.501 120.400 0.030 0.000 2.097 63 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 63 K C 1.780 178.418 176.600 0.063 0.000 1.050 63 K CA 1.268 57.575 56.287 0.033 0.000 0.938 63 K CB -0.383 32.105 32.500 -0.021 0.000 0.718 63 K HN 0.333 nan 8.250 nan 0.000 0.442 64 F N 0.554 120.408 119.950 -0.160 0.000 2.293 64 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 64 F C 1.826 177.303 175.800 -0.538 0.000 1.089 64 F CA -0.021 57.804 58.000 -0.292 0.000 1.377 64 F CB 0.085 39.004 39.000 -0.135 0.000 1.051 64 F HN 0.089 nan 8.300 nan 0.000 0.511 65 N N -0.871 117.719 118.700 -0.184 0.000 2.353 65 N HA -0.063 4.677 4.740 -0.000 0.000 0.185 65 N C -0.354 175.090 175.510 -0.110 0.000 1.098 65 N CA 0.495 53.448 53.050 -0.162 0.000 0.872 65 N CB -0.153 38.289 38.487 -0.074 0.000 0.970 65 N HN 0.280 nan 8.380 nan 0.000 0.467 66 H N -0.586 118.550 119.070 0.110 0.000 2.819 66 H HA -0.126 4.430 4.556 -0.000 0.000 0.315 66 H C -0.480 174.895 175.328 0.080 0.000 1.242 66 H CA 0.552 56.656 56.048 0.094 0.000 1.157 66 H CB -2.095 27.711 29.762 0.074 0.000 1.451 66 H HN 0.227 nan 8.280 nan 0.000 0.430 67 L N -0.154 121.158 121.223 0.149 0.000 2.341 67 L HA 0.556 4.896 4.340 -0.000 0.000 0.267 67 L C 0.701 177.670 176.870 0.166 0.000 1.009 67 L CA -1.282 53.642 54.840 0.140 0.000 0.819 67 L CB 2.558 44.685 42.059 0.113 0.000 1.323 67 L HN 0.064 nan 8.230 nan 0.000 0.425 68 V N 1.860 121.848 119.914 0.123 0.000 2.461 68 V HA 0.418 4.538 4.120 -0.000 0.000 0.275 68 V C -2.173 173.974 176.094 0.089 0.000 1.047 68 V CA -1.415 60.931 62.300 0.077 0.000 0.955 68 V CB 0.818 32.662 31.823 0.034 0.000 0.988 68 V HN 0.581 nan 8.190 nan 0.000 0.471 69 P HA 0.283 nan 4.420 nan 0.000 0.265 69 P C -1.088 176.134 177.300 -0.130 0.000 1.193 69 P CA 0.170 63.102 63.100 -0.281 0.000 0.765 69 P CB 0.152 31.379 31.700 -0.789 0.000 0.823 70 R N 2.560 123.045 120.500 -0.025 0.000 2.510 70 R HA 0.465 4.805 4.340 -0.000 0.000 0.294 70 R C -1.331 174.978 176.300 0.014 0.000 1.056 70 R CA -0.717 55.379 56.100 -0.007 0.000 0.918 70 R CB 0.747 31.066 30.300 0.031 0.000 1.187 70 R HN 0.254 nan 8.270 nan 0.000 0.437 71 L N 4.175 125.384 121.223 -0.023 0.000 2.282 71 L HA 0.403 4.742 4.340 -0.000 0.000 0.287 71 L C -0.608 176.270 176.870 0.012 0.000 1.075 71 L CA -1.022 53.818 54.840 -0.000 0.000 0.839 71 L CB 1.388 43.432 42.059 -0.026 0.000 1.219 71 L HN 0.449 nan 8.230 nan 0.000 0.434 72 V N 4.577 124.508 119.914 0.029 0.000 2.409 72 V HA 0.257 4.377 4.120 -0.000 0.000 0.291 72 V C 0.003 176.118 176.094 0.035 0.000 1.020 72 V CA -0.675 61.639 62.300 0.023 0.000 0.848 72 V CB 2.285 34.117 31.823 0.016 0.000 0.990 72 V HN 0.458 nan 8.190 nan 0.000 0.430 73 L N 5.422 126.671 121.223 0.043 0.000 2.369 73 L HA 0.352 4.692 4.340 -0.000 0.000 0.279 73 L C 0.737 177.642 176.870 0.059 0.000 1.108 73 L CA 0.386 55.278 54.840 0.087 0.000 0.852 73 L CB 0.829 42.943 42.059 0.090 0.000 1.169 73 L HN 0.596 nan 8.230 nan 0.000 0.452 74 Q N 5.345 125.149 119.800 0.006 0.000 3.107 74 Q HA 0.032 4.372 4.340 -0.000 0.000 0.268 74 Q C 1.084 176.924 176.000 -0.267 0.000 1.382 74 Q CA 0.296 55.979 55.803 -0.199 0.000 0.927 74 Q CB -0.280 28.242 28.738 -0.360 0.000 1.755 74 Q HN 0.726 nan 8.270 nan 0.000 0.545 75 R N 0.811 121.296 120.500 -0.025 0.000 2.132 75 R HA -0.228 4.111 4.340 -0.000 0.000 0.233 75 R C 1.896 178.237 176.300 0.069 0.000 1.125 75 R CA 1.765 57.901 56.100 0.061 0.000 0.914 75 R CB -0.079 30.246 30.300 0.041 0.000 0.845 75 R HN 0.526 nan 8.270 nan 0.000 0.431 76 E N 0.517 120.739 120.200 0.036 0.000 2.097 76 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 76 E C 1.828 178.512 176.600 0.141 0.000 1.000 76 E CA 1.276 57.742 56.400 0.112 0.000 0.804 76 E CB 0.175 29.909 29.700 0.058 0.000 0.740 76 E HN 0.123 nan 8.360 nan 0.000 0.454 77 K N 0.018 120.404 120.400 -0.023 0.000 2.026 77 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 77 K C 2.023 178.654 176.600 0.051 0.000 1.048 77 K CA 1.241 57.494 56.287 -0.057 0.000 0.929 77 K CB -0.540 31.822 32.500 -0.231 0.000 0.713 77 K HN 0.394 nan 8.250 nan 0.000 0.439 78 H N -0.763 118.401 119.070 0.155 0.000 2.423 78 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 78 H C 1.949 177.437 175.328 0.266 0.000 1.075 78 H CA 0.771 56.932 56.048 0.188 0.000 1.342 78 H CB -0.512 29.328 29.762 0.129 0.000 1.395 78 H HN 0.138 nan 8.280 nan 0.000 0.530 79 F N 1.635 121.713 119.950 0.212 0.000 2.134 79 F HA -0.198 4.328 4.527 -0.000 0.000 0.299 79 F C 2.780 178.672 175.800 0.153 0.000 1.097 79 F CA 1.528 59.617 58.000 0.149 0.000 1.264 79 F CB -0.412 38.645 39.000 0.095 0.000 1.001 79 F HN 0.206 nan 8.300 nan 0.000 0.479 80 H N -1.174 117.909 119.070 0.021 0.000 2.321 80 H HA -0.244 4.312 4.556 -0.000 0.000 0.300 80 H C 2.190 177.517 175.328 -0.003 0.000 1.087 80 H CA 2.189 58.189 56.048 -0.080 0.000 1.319 80 H CB -0.968 28.821 29.762 0.045 0.000 1.379 80 H HN 0.404 nan 8.280 nan 0.000 0.501 81 Y N 1.449 121.776 120.300 0.046 0.000 2.128 81 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 81 Y C 2.686 178.641 175.900 0.092 0.000 1.154 81 Y CA 1.773 59.922 58.100 0.082 0.000 1.149 81 Y CB -0.706 37.835 38.460 0.135 0.000 0.976 81 Y HN 0.134 nan 8.280 nan 0.000 0.505 82 L N 0.179 121.444 121.223 0.070 0.000 2.005 82 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 82 L C 2.630 179.328 176.870 -0.287 0.000 1.072 82 L CA 1.971 56.772 54.840 -0.066 0.000 0.744 82 L CB -0.780 41.291 42.059 0.021 0.000 0.895 82 L HN 0.119 nan 8.230 nan 0.000 0.433 83 K N 0.539 120.659 120.400 -0.467 0.000 2.059 83 K HA -0.295 4.025 4.320 -0.000 0.000 0.212 83 K C 2.352 178.707 176.600 -0.409 0.000 1.050 83 K CA 2.009 57.966 56.287 -0.550 0.000 0.927 83 K CB -0.122 31.846 32.500 -0.887 0.000 0.714 83 K HN 0.130 nan 8.250 nan 0.000 0.447 84 R N -0.344 119.900 120.500 -0.428 0.000 2.061 84 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 84 R C 2.429 178.540 176.300 -0.315 0.000 1.140 84 R CA 1.741 57.636 56.100 -0.343 0.000 0.940 84 R CB -0.767 29.319 30.300 -0.357 0.000 0.839 84 R HN 0.397 nan 8.270 nan 0.000 0.429 85 G N 1.539 110.121 108.800 -0.363 0.000 2.475 85 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.220 85 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.220 85 G C 1.309 175.844 174.900 -0.608 0.000 1.125 85 G CA 0.824 45.576 45.100 -0.579 0.000 0.755 85 G HN 0.355 nan 8.290 nan 0.000 0.565 86 L N 0.018 120.947 121.223 -0.490 0.000 2.261 86 L HA 0.100 4.440 4.340 -0.000 0.000 0.216 86 L C 2.367 179.039 176.870 -0.330 0.000 1.114 86 L CA 1.960 56.566 54.840 -0.390 0.000 0.777 86 L CB -0.213 41.673 42.059 -0.288 0.000 0.910 86 L HN 0.223 nan 8.230 nan 0.000 0.440 87 R N -1.053 119.265 120.500 -0.304 0.000 2.225 87 R HA 0.292 4.632 4.340 -0.000 0.000 0.194 87 R C 0.219 176.376 176.300 -0.238 0.000 0.949 87 R CA 0.386 56.338 56.100 -0.247 0.000 1.088 87 R CB 0.270 30.454 30.300 -0.195 0.000 1.106 87 R HN 0.513 nan 8.270 nan 0.000 0.566 88 Q N -0.156 119.500 119.800 -0.240 0.000 2.353 88 Q HA 0.478 4.818 4.340 -0.000 0.000 0.275 88 Q C -1.858 174.033 176.000 -0.181 0.000 1.029 88 Q CA -0.705 54.986 55.803 -0.186 0.000 0.848 88 Q CB 1.785 30.449 28.738 -0.123 0.000 1.390 88 Q HN 0.108 nan 8.270 nan 0.000 0.401 89 L N 1.502 122.644 121.223 -0.135 0.000 2.388 89 L HA 0.597 4.937 4.340 -0.000 0.000 0.264 89 L C 0.354 177.265 176.870 0.068 0.000 0.998 89 L CA -0.876 53.923 54.840 -0.068 0.000 0.817 89 L CB 2.126 44.073 42.059 -0.186 0.000 1.338 89 L HN 0.785 nan 8.230 nan 0.000 0.414 90 T N -3.412 111.246 114.554 0.174 0.000 2.726 90 T HA 0.044 4.394 4.350 -0.000 0.000 0.294 90 T C 0.794 175.607 174.700 0.188 0.000 1.013 90 T CA -0.191 62.007 62.100 0.164 0.000 0.996 90 T CB 0.551 69.523 68.868 0.174 0.000 1.016 90 T HN 0.760 nan 8.240 nan 0.000 0.529 91 D N -0.407 120.068 120.400 0.124 0.000 2.392 91 D HA 0.019 4.659 4.640 -0.000 0.000 0.228 91 D C 1.805 178.164 176.300 0.099 0.000 1.003 91 D CA 0.702 54.764 54.000 0.105 0.000 0.917 91 D CB -0.695 40.145 40.800 0.066 0.000 0.890 91 D HN 0.665 nan 8.370 nan 0.000 0.532 92 A N -0.321 122.569 122.820 0.116 0.000 2.067 92 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 92 A C 1.084 178.595 177.584 -0.122 0.000 1.158 92 A CA 0.465 52.502 52.037 0.001 0.000 0.661 92 A CB -0.781 18.215 19.000 -0.006 0.000 0.801 92 A HN 0.301 nan 8.150 nan 0.000 0.452 93 Y N 0.257 120.619 120.300 0.103 0.000 2.532 93 Y HA 0.167 4.717 4.550 -0.000 0.000 0.283 93 Y C 1.697 177.652 175.900 0.092 0.000 1.181 93 Y CA -0.052 58.120 58.100 0.120 0.000 1.256 93 Y CB -0.097 38.448 38.460 0.142 0.000 1.112 93 Y HN 0.441 nan 8.280 nan 0.000 0.521 94 E N -0.442 119.839 120.200 0.134 0.000 2.204 94 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 94 E C 2.023 178.678 176.600 0.092 0.000 0.990 94 E CA 1.398 57.860 56.400 0.103 0.000 0.821 94 E CB -0.165 29.575 29.700 0.067 0.000 0.750 94 E HN 0.658 nan 8.360 nan 0.000 0.477 95 C N -0.579 118.764 119.300 0.071 0.000 2.472 95 C HA 0.097 4.557 4.460 -0.000 0.000 0.278 95 C C 1.694 176.749 174.990 0.108 0.000 1.447 95 C CA -0.150 58.906 59.018 0.063 0.000 1.773 95 C CB -0.925 26.827 27.740 0.020 0.000 1.793 95 C HN 0.211 nan 8.230 nan 0.000 0.544 96 L N 0.778 122.106 121.223 0.174 0.000 3.066 96 L HA 0.245 4.585 4.340 -0.000 0.000 0.265 96 L C 1.513 178.505 176.870 0.203 0.000 1.232 96 L CA 0.155 55.137 54.840 0.237 0.000 1.031 96 L CB -0.241 42.059 42.059 0.401 0.000 1.379 96 L HN 0.147 nan 8.230 nan 0.000 0.563 97 D N 1.258 121.748 120.400 0.150 0.000 2.310 97 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 97 D C 1.700 178.065 176.300 0.108 0.000 0.965 97 D CA 1.026 55.098 54.000 0.120 0.000 0.879 97 D CB 0.496 41.350 40.800 0.090 0.000 0.921 97 D HN 0.293 nan 8.370 nan 0.000 0.510 98 A N -0.943 121.939 122.820 0.104 0.000 2.500 98 A HA 0.384 4.704 4.320 -0.000 0.000 0.267 98 A C 0.840 178.488 177.584 0.107 0.000 1.290 98 A CA -0.263 51.819 52.037 0.076 0.000 0.928 98 A CB 0.434 19.457 19.000 0.038 0.000 1.066 98 A HN 0.040 nan 8.150 nan 0.000 0.516 99 S N -0.712 115.090 115.700 0.171 0.000 2.901 99 S HA 0.183 4.653 4.470 -0.000 0.000 0.248 99 S C 1.118 175.839 174.600 0.203 0.000 1.021 99 S CA -0.496 57.862 58.200 0.265 0.000 1.090 99 S CB 0.047 63.462 63.200 0.359 0.000 1.039 99 S HN 0.584 nan 8.310 nan 0.000 0.514 100 R N 1.772 122.370 120.500 0.163 0.000 2.120 100 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 100 R C -1.115 175.256 176.300 0.119 0.000 1.123 100 R CA 1.314 57.510 56.100 0.159 0.000 0.975 100 R CB -1.149 29.317 30.300 0.276 0.000 0.866 100 R HN 0.305 nan 8.270 nan 0.000 0.446 101 P HA -0.148 nan 4.420 nan 0.000 0.219 101 P C 0.427 177.597 177.300 -0.218 0.000 1.150 101 P CA 1.022 64.058 63.100 -0.108 0.000 0.814 101 P CB -0.073 31.470 31.700 -0.263 0.000 0.787 102 W N -0.526 120.573 121.300 -0.336 0.000 2.358 102 W HA -0.119 4.541 4.660 -0.000 0.000 0.303 102 W C 2.118 178.060 176.519 -0.962 0.000 1.208 102 W CA 0.512 57.376 57.345 -0.801 0.000 1.274 102 W CB -0.869 27.948 29.460 -1.072 0.000 1.138 102 W HN -0.131 nan 8.180 nan 0.000 0.515 103 L N -1.029 120.054 121.223 -0.233 0.000 2.046 103 L HA -0.287 4.053 4.340 -0.000 0.000 0.208 103 L C 2.397 179.194 176.870 -0.122 0.000 1.077 103 L CA 1.140 55.946 54.840 -0.057 0.000 0.747 103 L CB -1.051 40.967 42.059 -0.069 0.000 0.896 103 L HN 0.087 nan 8.230 nan 0.000 0.432 104 C N -1.267 117.959 119.300 -0.124 0.000 2.436 104 C HA -0.236 4.224 4.460 -0.000 0.000 0.277 104 C C 2.740 177.686 174.990 -0.073 0.000 1.241 104 C CA 0.721 59.674 59.018 -0.109 0.000 1.721 104 C CB -0.853 26.852 27.740 -0.057 0.000 2.043 104 C HN 0.566 nan 8.230 nan 0.000 0.472 105 Y N 0.862 121.039 120.300 -0.205 0.000 2.070 105 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 105 Y C 2.348 178.266 175.900 0.029 0.000 1.148 105 Y CA 1.516 59.518 58.100 -0.164 0.000 1.125 105 Y CB -0.855 37.428 38.460 -0.295 0.000 0.975 105 Y HN 0.395 nan 8.280 nan 0.000 0.492 106 W N 0.639 121.753 121.300 -0.310 0.000 2.321 106 W HA -0.245 4.415 4.660 -0.000 0.000 0.306 106 W C 2.491 178.824 176.519 -0.310 0.000 1.217 106 W CA 1.508 58.586 57.345 -0.445 0.000 1.257 106 W CB -1.267 28.134 29.460 -0.098 0.000 1.145 106 W HN 0.234 nan 8.180 nan 0.000 0.509 107 I N -0.407 120.170 120.570 0.011 0.000 2.193 107 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 107 I C 2.464 178.532 176.117 -0.082 0.000 1.084 107 I CA 1.057 62.316 61.300 -0.068 0.000 1.365 107 I CB -0.930 36.932 38.000 -0.230 0.000 1.064 107 I HN -0.183 nan 8.210 nan 0.000 0.410 108 L N 0.097 121.268 121.223 -0.087 0.000 2.079 108 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 108 L C 2.747 179.604 176.870 -0.021 0.000 1.081 108 L CA 1.500 56.312 54.840 -0.048 0.000 0.752 108 L CB -0.781 41.261 42.059 -0.028 0.000 0.896 108 L HN 0.356 nan 8.230 nan 0.000 0.433 109 H N -0.675 118.271 119.070 -0.206 0.000 2.395 109 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 109 H C 2.377 177.606 175.328 -0.165 0.000 1.070 109 H CA 1.548 57.467 56.048 -0.215 0.000 1.356 109 H CB 0.119 29.597 29.762 -0.474 0.000 1.401 109 H HN 0.115 nan 8.280 nan 0.000 0.524 110 S N -0.046 115.515 115.700 -0.232 0.000 2.368 110 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 110 S C 2.282 176.814 174.600 -0.113 0.000 1.030 110 S CA 1.220 59.292 58.200 -0.215 0.000 0.999 110 S CB -0.235 62.909 63.200 -0.093 0.000 0.844 110 S HN 0.366 nan 8.310 nan 0.000 0.459 111 L N 1.236 122.435 121.223 -0.040 0.000 2.056 111 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 111 L C 2.717 179.586 176.870 -0.003 0.000 1.078 111 L CA 1.488 56.353 54.840 0.041 0.000 0.749 111 L CB -0.602 41.498 42.059 0.069 0.000 0.901 111 L HN 0.414 nan 8.230 nan 0.000 0.433 112 E N 0.912 121.086 120.200 -0.043 0.000 2.058 112 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 112 E C 2.332 178.888 176.600 -0.073 0.000 0.997 112 E CA 1.394 57.774 56.400 -0.034 0.000 0.801 112 E CB -0.106 29.602 29.700 0.015 0.000 0.746 112 E HN 0.448 nan 8.360 nan 0.000 0.450 113 L N 0.492 121.603 121.223 -0.186 0.000 2.046 113 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 113 L C 2.559 179.394 176.870 -0.059 0.000 1.077 113 L CA 0.829 55.575 54.840 -0.156 0.000 0.747 113 L CB -0.240 41.648 42.059 -0.284 0.000 0.896 113 L HN 0.251 nan 8.230 nan 0.000 0.432 114 L N -0.512 120.685 121.223 -0.043 0.000 2.551 114 L HA -0.110 4.230 4.340 -0.000 0.000 0.228 114 L C 0.298 177.165 176.870 -0.006 0.000 1.153 114 L CA 0.253 55.096 54.840 0.006 0.000 0.851 114 L CB -0.480 41.616 42.059 0.063 0.000 0.959 114 L HN 0.343 nan 8.230 nan 0.000 0.451 115 D N 0.818 121.210 120.400 -0.014 0.000 2.718 115 D HA -0.165 4.475 4.640 -0.000 0.000 0.242 115 D C -0.244 176.031 176.300 -0.041 0.000 1.123 115 D CA 0.472 54.459 54.000 -0.020 0.000 0.690 115 D CB -0.308 40.480 40.800 -0.019 0.000 1.059 115 D HN 0.208 nan 8.370 nan 0.000 0.429 116 E N 1.107 121.297 120.200 -0.018 0.000 2.171 116 E HA 0.435 4.785 4.350 -0.000 0.000 0.271 116 E C -1.955 174.656 176.600 0.018 0.000 0.916 116 E CA -1.674 54.708 56.400 -0.030 0.000 0.774 116 E CB 1.296 31.044 29.700 0.080 0.000 1.128 116 E HN 0.257 nan 8.360 nan 0.000 0.403 117 P HA 0.208 nan 4.420 nan 0.000 0.271 117 P C -0.261 177.062 177.300 0.039 0.000 1.218 117 P CA -0.354 62.752 63.100 0.011 0.000 0.780 117 P CB 0.905 32.602 31.700 -0.005 0.000 0.901 118 I N 3.909 124.488 120.570 0.015 0.000 2.287 118 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 118 I C -2.001 174.113 176.117 -0.005 0.000 1.069 118 I CA -2.828 58.476 61.300 0.007 0.000 1.237 118 I CB -0.034 37.958 38.000 -0.014 0.000 1.418 118 I HN 0.156 nan 8.210 nan 0.000 0.481 119 P HA 0.018 nan 4.420 nan 0.000 0.266 119 P C 0.697 177.985 177.300 -0.021 0.000 1.193 119 P CA -0.142 62.954 63.100 -0.005 0.000 0.770 119 P CB 0.649 32.349 31.700 0.001 0.000 0.836 120 Q N 1.549 121.335 119.800 -0.024 0.000 2.291 120 Q HA -0.058 4.282 4.340 -0.000 0.000 0.205 120 Q C 1.859 177.841 176.000 -0.031 0.000 0.970 120 Q CA 1.225 57.009 55.803 -0.032 0.000 0.876 120 Q CB -0.419 28.301 28.738 -0.031 0.000 0.935 120 Q HN 0.581 nan 8.270 nan 0.000 0.455 121 I N -0.307 120.248 120.570 -0.026 0.000 2.226 121 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 121 I C 2.108 178.205 176.117 -0.034 0.000 1.100 121 I CA 0.838 62.122 61.300 -0.027 0.000 1.374 121 I CB -0.201 37.784 38.000 -0.026 0.000 1.057 121 I HN -0.008 nan 8.210 nan 0.000 0.413 122 V N 0.933 120.824 119.914 -0.039 0.000 2.270 122 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 122 V C 2.735 178.801 176.094 -0.047 0.000 1.043 122 V CA 1.871 64.141 62.300 -0.050 0.000 1.014 122 V CB -0.992 30.799 31.823 -0.054 0.000 0.645 122 V HN 0.474 nan 8.190 nan 0.000 0.447 123 A N -0.662 122.131 122.820 -0.046 0.000 1.917 123 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 123 A C 2.460 180.017 177.584 -0.045 0.000 1.182 123 A CA 2.847 54.853 52.037 -0.052 0.000 0.633 123 A CB -1.052 17.910 19.000 -0.063 0.000 0.819 123 A HN 0.477 nan 8.150 nan 0.000 0.448 124 T N -1.190 113.341 114.554 -0.037 0.000 2.857 124 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 124 T C 1.546 176.241 174.700 -0.009 0.000 1.048 124 T CA 1.659 63.743 62.100 -0.026 0.000 1.139 124 T CB -0.483 68.371 68.868 -0.024 0.000 0.874 124 T HN 0.453 nan 8.240 nan 0.000 0.455 125 D N 0.529 120.921 120.400 -0.012 0.000 2.117 125 D HA -0.034 4.606 4.640 -0.000 0.000 0.198 125 D C 2.230 178.552 176.300 0.037 0.000 0.982 125 D CA 0.699 54.700 54.000 0.002 0.000 0.828 125 D CB -0.494 40.289 40.800 -0.028 0.000 0.967 125 D HN 0.267 nan 8.370 nan 0.000 0.464 126 V N 0.562 120.484 119.914 0.014 0.000 2.255 126 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 126 V C 2.708 178.842 176.094 0.067 0.000 1.051 126 V CA 1.435 63.762 62.300 0.045 0.000 1.018 126 V CB -0.606 31.210 31.823 -0.013 0.000 0.641 126 V HN 0.302 nan 8.190 nan 0.000 0.445 127 C N -0.516 118.793 119.300 0.016 0.000 2.393 127 C HA -0.260 4.200 4.460 -0.000 0.000 0.276 127 C C 2.876 177.887 174.990 0.035 0.000 1.215 127 C CA 1.468 60.492 59.018 0.010 0.000 1.743 127 C CB -1.226 26.508 27.740 -0.011 0.000 2.044 127 C HN 0.616 nan 8.230 nan 0.000 0.464 128 Q N -0.788 119.039 119.800 0.045 0.000 2.096 128 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 128 Q C 2.043 178.086 176.000 0.073 0.000 0.982 128 Q CA 1.845 57.677 55.803 0.050 0.000 0.850 128 Q CB -0.401 28.366 28.738 0.049 0.000 0.901 128 Q HN 0.773 nan 8.270 nan 0.000 0.422 129 F N 1.097 121.034 119.950 -0.022 0.000 2.134 129 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 129 F C 1.669 177.471 175.800 0.003 0.000 1.097 129 F CA 1.210 59.197 58.000 -0.022 0.000 1.264 129 F CB -0.139 38.833 39.000 -0.047 0.000 1.001 129 F HN -0.033 nan 8.300 nan 0.000 0.479 130 L N -0.095 121.025 121.223 -0.172 0.000 2.201 130 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 130 L C 2.305 179.173 176.870 -0.003 0.000 1.105 130 L CA 1.274 56.004 54.840 -0.185 0.000 0.775 130 L CB -0.738 41.259 42.059 -0.104 0.000 0.913 130 L HN 0.199 nan 8.230 nan 0.000 0.440 131 E N 0.384 120.576 120.200 -0.015 0.000 2.077 131 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 131 E C 2.328 178.868 176.600 -0.101 0.000 0.989 131 E CA 1.021 57.410 56.400 -0.017 0.000 0.800 131 E CB -0.126 29.568 29.700 -0.011 0.000 0.746 131 E HN 0.470 nan 8.360 nan 0.000 0.452 132 L N 0.343 121.476 121.223 -0.150 0.000 2.191 132 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 132 L C 2.381 179.118 176.870 -0.222 0.000 1.103 132 L CA 0.588 55.328 54.840 -0.167 0.000 0.769 132 L CB -0.248 41.724 42.059 -0.146 0.000 0.908 132 L HN 0.306 nan 8.230 nan 0.000 0.438 133 C N -1.188 117.930 119.300 -0.305 0.000 2.468 133 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 133 C C 1.590 176.500 174.990 -0.132 0.000 1.400 133 C CA -0.429 58.453 59.018 -0.226 0.000 1.770 133 C CB -0.703 26.872 27.740 -0.274 0.000 1.905 133 C HN 0.417 nan 8.230 nan 0.000 0.519 134 Q N 1.543 121.224 119.800 -0.199 0.000 2.337 134 Q HA 0.141 4.481 4.340 -0.000 0.000 0.270 134 Q C 0.267 176.054 176.000 -0.355 0.000 1.002 134 Q CA 0.218 55.699 55.803 -0.538 0.000 0.888 134 Q CB 0.594 28.904 28.738 -0.713 0.000 1.222 134 Q HN 0.488 nan 8.270 nan 0.000 0.400 135 S N 3.345 118.815 115.700 -0.384 0.000 2.586 135 S HA 0.327 4.797 4.470 -0.000 0.000 0.274 135 S C -1.884 172.589 174.600 -0.212 0.000 1.281 135 S CA -1.520 56.533 58.200 -0.245 0.000 1.035 135 S CB 0.875 63.931 63.200 -0.239 0.000 0.962 135 S HN 0.590 nan 8.310 nan 0.000 0.512 136 P HA 0.004 nan 4.420 nan 0.000 0.220 136 P C 0.038 177.285 177.300 -0.089 0.000 1.148 136 P CA 0.966 64.009 63.100 -0.095 0.000 0.803 136 P CB 0.089 31.757 31.700 -0.055 0.000 0.782 137 D N -1.090 119.253 120.400 -0.095 0.000 2.368 137 D HA 0.296 4.936 4.640 -0.000 0.000 0.218 137 D C 0.929 177.177 176.300 -0.086 0.000 1.112 137 D CA 0.462 54.425 54.000 -0.061 0.000 0.834 137 D CB 0.287 41.077 40.800 -0.016 0.000 0.953 137 D HN 0.085 nan 8.370 nan 0.000 0.505 138 G N -0.205 108.477 108.800 -0.197 0.000 2.674 138 G HA2 0.409 4.369 3.960 -0.000 0.000 0.686 138 G HA3 0.409 4.369 3.960 -0.000 0.000 0.686 138 G C 0.203 174.784 174.900 -0.532 0.000 1.195 138 G CA -0.396 44.562 45.100 -0.236 0.000 0.776 138 G HN 0.626 nan 8.290 nan 0.000 0.654 139 G N -0.676 107.852 108.800 -0.453 0.000 2.814 139 G HA2 0.334 4.293 3.960 -0.000 0.000 0.677 139 G HA3 0.334 4.293 3.960 -0.000 0.000 0.677 139 G C -0.389 174.183 174.900 -0.548 0.000 1.429 139 G CA 0.143 44.979 45.100 -0.440 0.000 0.868 139 G HN 1.744 nan 8.290 nan 0.000 0.553 140 F N 0.325 120.150 119.950 -0.208 0.000 2.523 140 F HA 0.747 5.274 4.527 -0.000 0.000 0.329 140 F C 1.161 176.885 175.800 -0.126 0.000 1.061 140 F CA 0.167 58.061 58.000 -0.177 0.000 0.967 140 F CB 1.928 40.821 39.000 -0.178 0.000 1.218 140 F HN 0.796 nan 8.300 nan 0.000 0.480 141 G N -0.391 108.446 108.800 0.061 0.000 2.552 141 G HA2 0.448 4.408 3.960 -0.000 0.000 0.318 141 G HA3 0.448 4.408 3.960 -0.000 0.000 0.318 141 G C 0.717 175.633 174.900 0.027 0.000 1.240 141 G CA -0.494 44.632 45.100 0.043 0.000 1.002 141 G HN 0.904 nan 8.290 nan 0.000 0.493 142 G N -1.722 107.092 108.800 0.024 0.000 2.848 142 G HA2 0.461 4.421 3.960 -0.000 0.000 0.208 142 G HA3 0.461 4.421 3.960 -0.000 0.000 0.208 142 G C 0.654 175.590 174.900 0.060 0.000 1.152 142 G CA 0.885 46.007 45.100 0.037 0.000 0.789 142 G HN 1.273 nan 8.290 nan 0.000 0.531 143 G N -1.298 107.513 108.800 0.018 0.000 2.368 143 G HA2 0.461 4.421 3.960 -0.000 0.000 0.293 143 G HA3 0.461 4.421 3.960 -0.000 0.000 0.293 143 G C -3.453 171.421 174.900 -0.042 0.000 1.467 143 G CA -0.987 44.138 45.100 0.042 0.000 0.804 143 G HN -0.107 nan 8.290 nan 0.000 0.535 144 P HA 0.315 nan 4.420 nan 0.000 0.263 144 P C 1.061 178.327 177.300 -0.057 0.000 1.195 144 P CA 2.060 65.120 63.100 -0.066 0.000 0.762 144 P CB 0.950 32.647 31.700 -0.005 0.000 0.799 145 G N 1.957 110.707 108.800 -0.084 0.000 2.199 145 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.254 145 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.254 145 G C 0.100 174.902 174.900 -0.163 0.000 0.982 145 G CA -0.299 44.739 45.100 -0.103 0.000 0.632 145 G HN 0.557 nan 8.290 nan 0.000 0.529 146 Q N -0.479 119.241 119.800 -0.133 0.000 2.260 146 Q HA 0.565 4.905 4.340 -0.000 0.000 0.242 146 Q C -0.016 175.923 176.000 -0.101 0.000 0.932 146 Q CA -0.748 54.959 55.803 -0.160 0.000 0.891 146 Q CB 0.943 29.642 28.738 -0.066 0.000 1.222 146 Q HN 0.473 nan 8.270 nan 0.000 0.453 147 Y N 1.995 122.292 120.300 -0.005 0.000 2.550 147 Y HA 0.040 4.590 4.550 -0.000 0.000 0.343 147 Y C -1.542 174.357 175.900 -0.001 0.000 1.245 147 Y CA -1.632 56.468 58.100 0.000 0.000 1.462 147 Y CB 0.063 38.551 38.460 0.047 0.000 1.340 147 Y HN 0.450 nan 8.280 nan 0.000 0.604 148 P HA -0.007 nan 4.420 nan 0.000 0.272 148 P C -1.040 176.404 177.300 0.240 0.000 1.230 148 P CA 0.468 63.546 63.100 -0.036 0.000 0.788 148 P CB 1.095 32.466 31.700 -0.549 0.000 0.949 149 H N 1.345 120.518 119.070 0.171 0.000 3.086 149 H HA 0.161 4.717 4.556 -0.000 0.000 0.353 149 H C 0.646 176.161 175.328 0.311 0.000 1.134 149 H CA -0.525 55.710 56.048 0.312 0.000 1.248 149 H CB 1.389 31.263 29.762 0.186 0.000 1.878 149 H HN 0.206 nan 8.280 nan 0.000 0.527 150 L N 2.781 124.188 121.223 0.307 0.000 2.127 150 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 150 L C 2.461 179.527 176.870 0.326 0.000 1.089 150 L CA 1.587 56.593 54.840 0.277 0.000 0.757 150 L CB -0.445 41.674 42.059 0.099 0.000 0.899 150 L HN 0.672 nan 8.230 nan 0.000 0.434 151 A N 0.917 124.089 122.820 0.587 0.000 1.841 151 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 151 A C -0.129 177.444 177.584 -0.018 0.000 1.195 151 A CA 1.548 53.891 52.037 0.510 0.000 0.611 151 A CB -1.877 17.640 19.000 0.862 0.000 0.835 151 A HN 0.287 nan 8.150 nan 0.000 0.443 152 P HA -0.086 nan 4.420 nan 0.000 0.225 152 P C 1.123 178.257 177.300 -0.277 0.000 1.148 152 P CA 1.527 64.431 63.100 -0.326 0.000 0.779 152 P CB -0.289 31.364 31.700 -0.078 0.000 0.780 153 T N -0.971 113.565 114.554 -0.030 0.000 2.857 153 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 153 T C 1.668 176.276 174.700 -0.153 0.000 1.048 153 T CA 0.941 63.068 62.100 0.045 0.000 1.139 153 T CB -0.920 68.093 68.868 0.243 0.000 0.874 153 T HN 0.132 nan 8.240 nan 0.000 0.455 154 Y N 1.915 122.039 120.300 -0.293 0.000 2.314 154 Y HA 0.155 4.705 4.550 -0.000 0.000 0.293 154 Y C 2.335 177.880 175.900 -0.593 0.000 1.129 154 Y CA 0.702 58.581 58.100 -0.369 0.000 1.201 154 Y CB -0.483 37.808 38.460 -0.282 0.000 0.999 154 Y HN 0.148 nan 8.280 nan 0.000 0.541 155 A N 0.859 123.096 122.820 -0.971 0.000 1.897 155 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 155 A C 2.422 179.526 177.584 -0.801 0.000 1.181 155 A CA 1.436 52.782 52.037 -1.152 0.000 0.620 155 A CB -1.418 16.820 19.000 -1.270 0.000 0.821 155 A HN 0.604 nan 8.150 nan 0.000 0.443 156 A N -0.274 122.087 122.820 -0.764 0.000 1.865 156 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 156 A C 2.223 179.368 177.584 -0.732 0.000 1.191 156 A CA 1.949 53.467 52.037 -0.864 0.000 0.623 156 A CB -1.137 16.892 19.000 -1.618 0.000 0.826 156 A HN 0.416 nan 8.150 nan 0.000 0.444 157 V N 0.851 120.366 119.914 -0.665 0.000 2.287 157 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 157 V C 2.418 178.295 176.094 -0.362 0.000 1.053 157 V CA 2.330 64.390 62.300 -0.401 0.000 1.027 157 V CB -1.114 30.540 31.823 -0.282 0.000 0.646 157 V HN 0.563 nan 8.190 nan 0.000 0.447 158 N N 0.300 118.678 118.700 -0.536 0.000 2.084 158 N HA -0.126 4.613 4.740 -0.000 0.000 0.190 158 N C 1.885 177.249 175.510 -0.243 0.000 1.030 158 N CA 1.759 54.518 53.050 -0.485 0.000 0.849 158 N CB -0.624 37.282 38.487 -0.969 0.000 1.012 158 N HN 0.470 nan 8.380 nan 0.000 0.423 159 A N 0.988 123.663 122.820 -0.241 0.000 1.883 159 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 159 A C 2.371 179.889 177.584 -0.110 0.000 1.186 159 A CA 1.155 53.132 52.037 -0.100 0.000 0.624 159 A CB -0.875 18.044 19.000 -0.136 0.000 0.822 159 A HN 0.288 nan 8.150 nan 0.000 0.444 160 L N -0.903 120.226 121.223 -0.157 0.000 2.046 160 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 160 L C 2.648 179.476 176.870 -0.071 0.000 1.077 160 L CA 1.312 56.087 54.840 -0.107 0.000 0.747 160 L CB -0.720 41.294 42.059 -0.075 0.000 0.896 160 L HN 0.489 nan 8.230 nan 0.000 0.432 161 C N -0.311 118.980 119.300 -0.015 0.000 2.432 161 C HA -0.066 4.394 4.460 -0.000 0.000 0.280 161 C C 2.718 177.714 174.990 0.010 0.000 1.353 161 C CA 0.191 59.254 59.018 0.074 0.000 1.766 161 C CB -0.624 27.151 27.740 0.059 0.000 1.924 161 C HN 0.428 nan 8.230 nan 0.000 0.509 162 I N 0.609 121.171 120.570 -0.012 0.000 2.315 162 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 162 I C 2.277 178.374 176.117 -0.033 0.000 1.117 162 I CA 1.636 62.944 61.300 0.013 0.000 1.404 162 I CB -0.277 37.755 38.000 0.053 0.000 1.071 162 I HN 0.306 nan 8.210 nan 0.000 0.419 163 I N 0.559 121.080 120.570 -0.080 0.000 2.202 163 I HA -0.157 4.012 4.170 -0.000 0.000 0.242 163 I C 1.856 177.855 176.117 -0.196 0.000 1.091 163 I CA 1.199 62.426 61.300 -0.121 0.000 1.368 163 I CB -0.795 37.124 38.000 -0.136 0.000 1.058 163 I HN 0.431 nan 8.210 nan 0.000 0.410 164 G N 1.909 110.526 108.800 -0.304 0.000 2.233 164 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.270 164 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.270 164 G C 0.425 174.865 174.900 -0.766 0.000 1.011 164 G CA 0.692 45.474 45.100 -0.530 0.000 0.762 164 G HN 0.526 nan 8.290 nan 0.000 0.511 165 T N -3.436 110.722 114.554 -0.660 0.000 2.934 165 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 165 T C 1.066 175.414 174.700 -0.587 0.000 1.005 165 T CA 0.344 62.158 62.100 -0.477 0.000 1.041 165 T CB 2.091 70.805 68.868 -0.257 0.000 1.042 165 T HN 0.126 nan 8.240 nan 0.000 0.505 166 E N 0.458 120.469 120.200 -0.315 0.000 2.147 166 E HA -0.243 4.106 4.350 -0.000 0.000 0.199 166 E C 1.916 178.442 176.600 -0.124 0.000 1.005 166 E CA 2.016 58.312 56.400 -0.173 0.000 0.810 166 E CB -0.183 29.482 29.700 -0.059 0.000 0.736 166 E HN 0.879 nan 8.360 nan 0.000 0.460 167 E N -0.582 119.541 120.200 -0.129 0.000 2.051 167 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 167 E C 1.983 178.543 176.600 -0.067 0.000 0.991 167 E CA 1.120 57.477 56.400 -0.071 0.000 0.799 167 E CB -0.267 29.392 29.700 -0.068 0.000 0.748 167 E HN 0.334 nan 8.360 nan 0.000 0.449 168 A N 0.613 123.337 122.820 -0.160 0.000 1.865 168 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 168 A C 2.060 179.653 177.584 0.016 0.000 1.191 168 A CA 1.707 53.667 52.037 -0.127 0.000 0.623 168 A CB -1.333 17.515 19.000 -0.252 0.000 0.826 168 A HN 0.533 nan 8.150 nan 0.000 0.444 169 Y N 0.353 120.642 120.300 -0.018 0.000 2.151 169 Y HA -0.261 4.288 4.550 -0.000 0.000 0.284 169 Y C 2.319 178.344 175.900 0.209 0.000 1.166 169 Y CA 0.968 59.122 58.100 0.090 0.000 1.163 169 Y CB -0.281 37.957 38.460 -0.370 0.000 0.974 169 Y HN 0.343 nan 8.280 nan 0.000 0.511 170 N N -0.142 118.710 118.700 0.253 0.000 2.573 170 N HA -0.102 4.638 4.740 -0.000 0.000 0.187 170 N C 1.679 177.290 175.510 0.167 0.000 1.107 170 N CA 0.570 53.743 53.050 0.206 0.000 0.918 170 N CB -0.167 38.395 38.487 0.124 0.000 0.966 170 N HN 0.204 nan 8.380 nan 0.000 0.448 171 V N 1.487 121.500 119.914 0.164 0.000 2.358 171 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 171 V C 1.156 177.353 176.094 0.171 0.000 1.047 171 V CA 0.712 63.098 62.300 0.143 0.000 1.035 171 V CB -0.155 31.759 31.823 0.151 0.000 0.658 171 V HN 0.186 nan 8.190 nan 0.000 0.452 172 I N 2.245 122.961 120.570 0.244 0.000 2.662 172 I HA -0.013 4.157 4.170 -0.000 0.000 0.285 172 I C 0.549 176.732 176.117 0.111 0.000 1.161 172 I CA 0.352 61.780 61.300 0.214 0.000 1.415 172 I CB -0.165 37.956 38.000 0.201 0.000 1.385 172 I HN 0.188 nan 8.210 nan 0.000 0.552 173 N N 7.209 125.912 118.700 0.005 0.000 2.521 173 N HA 0.143 4.883 4.740 -0.000 0.000 0.236 173 N C 0.927 176.436 175.510 -0.002 0.000 1.067 173 N CA -0.132 52.914 53.050 -0.006 0.000 0.939 173 N CB 0.587 39.033 38.487 -0.068 0.000 1.201 173 N HN 0.459 nan 8.380 nan 0.000 0.511 174 R N 2.012 122.531 120.500 0.033 0.000 2.120 174 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 174 R C 0.835 177.153 176.300 0.029 0.000 1.123 174 R CA 1.399 57.509 56.100 0.017 0.000 0.975 174 R CB 0.242 30.565 30.300 0.038 0.000 0.866 174 R HN 0.491 nan 8.270 nan 0.000 0.446 175 E N 0.549 120.773 120.200 0.039 0.000 2.046 175 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 175 E C 1.802 178.425 176.600 0.039 0.000 0.982 175 E CA 0.943 57.369 56.400 0.043 0.000 0.800 175 E CB 0.061 29.782 29.700 0.035 0.000 0.756 175 E HN 0.025 nan 8.360 nan 0.000 0.449 176 K N 0.407 120.817 120.400 0.015 0.000 2.057 176 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 176 K C 2.136 178.762 176.600 0.043 0.000 1.049 176 K CA 0.575 56.868 56.287 0.009 0.000 0.931 176 K CB -0.632 31.840 32.500 -0.047 0.000 0.714 176 K HN 0.121 nan 8.250 nan 0.000 0.440 177 L N 1.406 122.642 121.223 0.021 0.000 2.013 177 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 177 L C 2.221 179.154 176.870 0.104 0.000 1.073 177 L CA 1.385 56.264 54.840 0.065 0.000 0.753 177 L CB -0.759 41.317 42.059 0.028 0.000 0.890 177 L HN 0.089 nan 8.230 nan 0.000 0.432 178 L N -0.644 120.619 121.223 0.067 0.000 2.017 178 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 178 L C 2.526 179.490 176.870 0.157 0.000 1.073 178 L CA 1.821 56.699 54.840 0.064 0.000 0.745 178 L CB -0.782 41.331 42.059 0.090 0.000 0.894 178 L HN 0.433 nan 8.230 nan 0.000 0.432 179 Q N -1.851 118.052 119.800 0.172 0.000 2.077 179 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 179 Q C 2.201 178.316 176.000 0.192 0.000 0.989 179 Q CA 2.326 58.239 55.803 0.184 0.000 0.853 179 Q CB -0.510 28.293 28.738 0.108 0.000 0.907 179 Q HN 0.608 nan 8.270 nan 0.000 0.418 180 Y N 1.266 121.591 120.300 0.041 0.000 2.097 180 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 180 Y C 1.863 177.790 175.900 0.045 0.000 1.152 180 Y CA 1.552 59.668 58.100 0.027 0.000 1.136 180 Y CB -0.475 37.984 38.460 -0.000 0.000 0.975 180 Y HN 0.052 nan 8.280 nan 0.000 0.498 181 L N -1.366 119.814 121.223 -0.072 0.000 2.043 181 L HA -0.321 4.019 4.340 -0.000 0.000 0.212 181 L C 2.302 179.132 176.870 -0.068 0.000 1.075 181 L CA 1.905 56.650 54.840 -0.158 0.000 0.752 181 L CB -0.973 40.974 42.059 -0.188 0.000 0.891 181 L HN 0.292 nan 8.230 nan 0.000 0.432 182 Y N 0.240 120.506 120.300 -0.057 0.000 2.242 182 Y HA -0.233 4.317 4.550 -0.000 0.000 0.291 182 Y C 3.023 178.843 175.900 -0.134 0.000 1.137 182 Y CA 1.339 59.384 58.100 -0.092 0.000 1.181 182 Y CB -0.093 38.317 38.460 -0.084 0.000 0.989 182 Y HN 0.291 nan 8.280 nan 0.000 0.527 183 S N -0.484 115.231 115.700 0.026 0.000 2.547 183 S HA -0.084 4.385 4.470 -0.000 0.000 0.235 183 S C 1.379 175.898 174.600 -0.135 0.000 0.980 183 S CA 0.868 59.037 58.200 -0.051 0.000 0.941 183 S CB -0.561 62.624 63.200 -0.024 0.000 0.763 183 S HN 0.490 nan 8.310 nan 0.000 0.532 184 L N -0.538 120.580 121.223 -0.174 0.000 2.609 184 L HA 0.373 4.712 4.340 -0.000 0.000 0.230 184 L C 0.829 177.566 176.870 -0.222 0.000 1.087 184 L CA -0.310 54.426 54.840 -0.174 0.000 0.874 184 L CB -0.091 41.861 42.059 -0.179 0.000 1.114 184 L HN 0.089 nan 8.230 nan 0.000 0.488 185 K N 1.725 121.915 120.400 -0.349 0.000 2.451 185 K HA 0.032 4.352 4.320 -0.000 0.000 0.280 185 K C -0.176 176.119 176.600 -0.507 0.000 1.020 185 K CA 0.455 56.265 56.287 -0.796 0.000 1.008 185 K CB 0.429 32.532 32.500 -0.662 0.000 0.917 185 K HN -0.094 nan 8.250 nan 0.000 0.478 186 Q N 4.461 123.921 119.800 -0.566 0.000 2.215 186 Q HA 0.277 4.617 4.340 -0.000 0.000 0.256 186 Q C -1.794 174.030 176.000 -0.292 0.000 0.972 186 Q CA -2.323 53.264 55.803 -0.360 0.000 0.889 186 Q CB 0.862 29.389 28.738 -0.351 0.000 1.281 186 Q HN 0.439 nan 8.270 nan 0.000 0.456 187 P HA -0.157 nan 4.420 nan 0.000 0.218 187 P C 0.322 177.559 177.300 -0.105 0.000 1.148 187 P CA 1.371 64.394 63.100 -0.128 0.000 0.822 187 P CB 0.249 31.895 31.700 -0.089 0.000 0.784 188 D N -1.963 118.371 120.400 -0.110 0.000 2.319 188 D HA 0.098 4.737 4.640 -0.000 0.000 0.230 188 D C 1.388 177.665 176.300 -0.039 0.000 1.094 188 D CA 0.458 54.441 54.000 -0.029 0.000 0.856 188 D CB -0.872 39.961 40.800 0.054 0.000 0.915 188 D HN 0.238 nan 8.370 nan 0.000 0.517 189 G N -0.057 108.646 108.800 -0.162 0.000 2.241 189 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 189 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 189 G C 0.525 175.230 174.900 -0.326 0.000 0.998 189 G CA 0.417 45.431 45.100 -0.143 0.000 0.621 189 G HN 0.832 nan 8.290 nan 0.000 0.519 190 S N -0.335 114.958 115.700 -0.677 0.000 2.661 190 S HA 0.827 5.297 4.470 -0.000 0.000 0.265 190 S C -0.294 173.918 174.600 -0.646 0.000 1.225 190 S CA -0.434 57.205 58.200 -0.934 0.000 0.986 190 S CB 1.493 63.611 63.200 -1.802 0.000 1.008 190 S HN 0.564 nan 8.310 nan 0.000 0.565 191 F N -0.595 119.069 119.950 -0.476 0.000 2.576 191 F HA 0.539 5.066 4.527 -0.000 0.000 0.313 191 F C -0.080 175.547 175.800 -0.288 0.000 1.078 191 F CA -1.041 56.773 58.000 -0.311 0.000 0.921 191 F CB 1.513 40.383 39.000 -0.218 0.000 1.232 191 F HN 0.448 nan 8.300 nan 0.000 0.459 192 L N 3.103 124.281 121.223 -0.074 0.000 2.418 192 L HA 0.197 4.537 4.340 -0.000 0.000 0.265 192 L C 1.255 178.053 176.870 -0.119 0.000 1.143 192 L CA -0.654 54.101 54.840 -0.141 0.000 0.809 192 L CB 0.616 42.556 42.059 -0.198 0.000 1.124 192 L HN 0.669 nan 8.230 nan 0.000 0.456 193 M N 0.508 120.017 119.600 -0.151 0.000 2.319 193 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 193 M C 0.267 176.431 176.300 -0.226 0.000 1.068 193 M CA 1.206 56.411 55.300 -0.158 0.000 1.118 193 M CB -0.971 31.586 32.600 -0.071 0.000 1.395 193 M HN 0.801 nan 8.290 nan 0.000 0.435 194 H N -5.069 113.887 119.070 -0.189 0.000 2.935 194 H HA 0.423 4.979 4.556 -0.000 0.000 0.297 194 H C -0.956 174.363 175.328 -0.015 0.000 1.423 194 H CA -1.190 54.827 56.048 -0.052 0.000 1.161 194 H CB 0.385 30.147 29.762 -0.000 0.000 1.841 194 H HN -0.252 nan 8.280 nan 0.000 0.506 195 V N 1.658 121.624 119.914 0.086 0.000 2.557 195 V HA 0.262 4.382 4.120 -0.000 0.000 0.301 195 V C 1.662 177.718 176.094 -0.064 0.000 1.026 195 V CA 1.771 64.059 62.300 -0.019 0.000 1.137 195 V CB 0.148 31.981 31.823 0.017 0.000 0.917 195 V HN 1.439 nan 8.190 nan 0.000 0.484 196 G N 3.527 112.248 108.800 -0.131 0.000 2.168 196 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.263 196 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.263 196 G C 0.512 175.304 174.900 -0.181 0.000 0.977 196 G CA 0.203 45.246 45.100 -0.094 0.000 0.659 196 G HN 1.342 nan 8.290 nan 0.000 0.533 197 G N -0.594 107.886 108.800 -0.533 0.000 2.557 197 G HA2 0.668 4.628 3.960 -0.000 0.000 0.302 197 G HA3 0.668 4.628 3.960 -0.000 0.000 0.302 197 G C 0.254 174.982 174.900 -0.287 0.000 1.311 197 G CA 0.270 44.964 45.100 -0.677 0.000 1.030 197 G HN 0.639 nan 8.290 nan 0.000 0.509 198 E N -1.158 118.961 120.200 -0.136 0.000 2.322 198 E HA 0.419 4.769 4.350 -0.000 0.000 0.257 198 E C -0.995 175.573 176.600 -0.054 0.000 1.155 198 E CA -0.524 55.848 56.400 -0.046 0.000 0.936 198 E CB 1.332 31.056 29.700 0.040 0.000 1.130 198 E HN 0.115 nan 8.360 nan 0.000 0.465 199 V N 1.463 121.361 119.914 -0.026 0.000 2.540 199 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 199 V C -0.797 175.330 176.094 0.054 0.000 1.035 199 V CA -0.301 61.974 62.300 -0.041 0.000 0.873 199 V CB 1.294 33.047 31.823 -0.116 0.000 0.992 199 V HN 0.936 nan 8.190 nan 0.000 0.428 200 D N 2.435 122.887 120.400 0.087 0.000 2.671 200 D HA 0.176 4.815 4.640 -0.000 0.000 0.273 200 D C 0.297 176.776 176.300 0.299 0.000 1.264 200 D CA -0.601 53.530 54.000 0.218 0.000 0.788 200 D CB 1.719 42.577 40.800 0.096 0.000 1.324 200 D HN 0.120 nan 8.370 nan 0.000 0.424 201 V N 0.793 120.943 119.914 0.394 0.000 2.546 201 V HA -0.256 3.864 4.120 -0.000 0.000 0.254 201 V C 2.138 178.421 176.094 0.315 0.000 1.076 201 V CA 2.123 64.680 62.300 0.427 0.000 1.087 201 V CB -0.631 31.350 31.823 0.264 0.000 0.674 201 V HN 0.580 nan 8.190 nan 0.000 0.470 202 R N 0.418 121.109 120.500 0.319 0.000 2.091 202 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 202 R C 2.576 179.002 176.300 0.209 0.000 1.136 202 R CA 1.784 58.048 56.100 0.273 0.000 0.959 202 R CB -0.607 29.859 30.300 0.276 0.000 0.856 202 R HN 0.776 nan 8.270 nan 0.000 0.437 203 S N 0.696 116.486 115.700 0.150 0.000 2.382 203 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 203 S C 2.249 176.822 174.600 -0.044 0.000 1.027 203 S CA 0.979 59.207 58.200 0.047 0.000 0.991 203 S CB -0.229 62.991 63.200 0.033 0.000 0.823 203 S HN 0.374 nan 8.310 nan 0.000 0.469 204 A N 1.176 124.031 122.820 0.058 0.000 1.865 204 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 204 A C 2.129 179.695 177.584 -0.029 0.000 1.191 204 A CA 1.761 53.828 52.037 0.050 0.000 0.623 204 A CB -1.470 17.660 19.000 0.216 0.000 0.826 204 A HN 0.720 nan 8.150 nan 0.000 0.444 205 Y N 0.220 120.474 120.300 -0.077 0.000 2.145 205 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 205 Y C 2.592 178.411 175.900 -0.136 0.000 1.145 205 Y CA 1.407 59.432 58.100 -0.125 0.000 1.148 205 Y CB -0.937 37.468 38.460 -0.092 0.000 0.981 205 Y HN 0.378 nan 8.280 nan 0.000 0.507 206 C N 0.531 119.679 119.300 -0.252 0.000 2.413 206 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 206 C C 3.074 177.935 174.990 -0.215 0.000 1.248 206 C CA 1.281 60.124 59.018 -0.291 0.000 1.742 206 C CB -1.823 25.885 27.740 -0.054 0.000 2.017 206 C HN 0.752 nan 8.230 nan 0.000 0.481 207 A N 0.510 123.177 122.820 -0.255 0.000 1.855 207 A HA 0.090 4.410 4.320 -0.000 0.000 0.215 207 A C 2.403 179.942 177.584 -0.074 0.000 1.191 207 A CA 2.092 53.975 52.037 -0.255 0.000 0.613 207 A CB -1.123 17.462 19.000 -0.692 0.000 0.829 207 A HN 0.570 nan 8.150 nan 0.000 0.442 208 A N -0.773 121.912 122.820 -0.226 0.000 1.908 208 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 208 A C 2.492 179.957 177.584 -0.198 0.000 1.181 208 A CA 2.373 54.164 52.037 -0.410 0.000 0.627 208 A CB -1.007 17.644 19.000 -0.582 0.000 0.818 208 A HN 0.576 nan 8.150 nan 0.000 0.445 209 S N -0.531 115.020 115.700 -0.248 0.000 2.348 209 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 209 S C 2.045 176.683 174.600 0.063 0.000 1.033 209 S CA 2.222 60.371 58.200 -0.085 0.000 1.010 209 S CB -0.752 62.298 63.200 -0.250 0.000 0.891 209 S HN 0.964 nan 8.310 nan 0.000 0.442 210 V N 0.149 120.058 119.914 -0.009 0.000 2.548 210 V HA 0.239 4.359 4.120 -0.000 0.000 0.249 210 V C 2.479 178.545 176.094 -0.046 0.000 1.055 210 V CA 1.426 63.704 62.300 -0.037 0.000 1.065 210 V CB -1.494 30.313 31.823 -0.025 0.000 0.681 210 V HN 0.488 nan 8.190 nan 0.000 0.462 211 A N 1.628 124.455 122.820 0.012 0.000 1.968 211 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 211 A C 2.542 180.152 177.584 0.043 0.000 1.169 211 A CA 2.096 54.160 52.037 0.046 0.000 0.638 211 A CB -0.752 18.364 19.000 0.193 0.000 0.812 211 A HN 0.852 nan 8.150 nan 0.000 0.446 212 S N 0.041 115.774 115.700 0.055 0.000 2.362 212 S HA -0.020 4.450 4.470 -0.000 0.000 0.221 212 S C 1.918 176.520 174.600 0.003 0.000 1.032 212 S CA 1.137 59.374 58.200 0.061 0.000 0.973 212 S CB -0.802 62.465 63.200 0.112 0.000 0.849 212 S HN 0.401 nan 8.310 nan 0.000 0.465 213 L N 2.033 123.228 121.223 -0.047 0.000 2.042 213 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 213 L C 2.948 179.693 176.870 -0.209 0.000 1.076 213 L CA 1.744 56.492 54.840 -0.153 0.000 0.749 213 L CB -1.155 40.769 42.059 -0.225 0.000 0.893 213 L HN 0.629 nan 8.230 nan 0.000 0.432 214 T N -4.124 110.212 114.554 -0.364 0.000 3.129 214 T HA 0.038 4.388 4.350 -0.000 0.000 0.251 214 T C 0.797 175.335 174.700 -0.270 0.000 1.117 214 T CA 0.205 61.863 62.100 -0.735 0.000 1.034 214 T CB -0.436 67.987 68.868 -0.741 0.000 0.968 214 T HN 0.373 nan 8.240 nan 0.000 0.526 215 N N 1.370 120.018 118.700 -0.087 0.000 2.641 215 N HA -0.183 4.557 4.740 -0.000 0.000 0.267 215 N C 0.227 175.743 175.510 0.009 0.000 1.087 215 N CA 0.904 53.957 53.050 0.006 0.000 0.731 215 N CB -1.761 36.760 38.487 0.055 0.000 0.886 215 N HN 0.894 nan 8.380 nan 0.000 0.547 216 I N -2.227 118.345 120.570 0.005 0.000 4.102 216 I HA 0.366 4.536 4.170 -0.000 0.000 0.325 216 I C -0.032 176.100 176.117 0.025 0.000 1.471 216 I CA -0.642 60.668 61.300 0.017 0.000 1.133 216 I CB 0.167 38.160 38.000 -0.013 0.000 1.184 216 I HN 0.068 nan 8.210 nan 0.000 0.451 217 I N 4.349 124.954 120.570 0.060 0.000 2.483 217 I HA 0.060 4.230 4.170 -0.000 0.000 0.291 217 I C 1.091 177.253 176.117 0.074 0.000 1.112 217 I CA 0.248 61.603 61.300 0.091 0.000 1.350 217 I CB 0.489 38.609 38.000 0.200 0.000 1.419 217 I HN 0.371 nan 8.210 nan 0.000 0.523 218 T N 3.452 118.027 114.554 0.035 0.000 2.824 218 T HA 0.298 4.648 4.350 -0.000 0.000 0.277 218 T C -1.568 173.179 174.700 0.078 0.000 0.975 218 T CA -1.567 60.579 62.100 0.077 0.000 0.966 218 T CB 1.087 70.036 68.868 0.134 0.000 1.054 218 T HN 0.276 nan 8.240 nan 0.000 0.533 219 P HA -0.022 nan 4.420 nan 0.000 0.220 219 P C 0.983 178.330 177.300 0.078 0.000 1.148 219 P CA 0.983 64.131 63.100 0.080 0.000 0.803 219 P CB 0.036 31.777 31.700 0.068 0.000 0.782 220 D N -1.824 118.623 120.400 0.079 0.000 2.441 220 D HA 0.001 4.641 4.640 -0.000 0.000 0.210 220 D C 1.717 178.025 176.300 0.015 0.000 1.102 220 D CA -0.142 53.899 54.000 0.069 0.000 0.840 220 D CB -0.755 40.095 40.800 0.082 0.000 0.990 220 D HN -0.011 nan 8.370 nan 0.000 0.505 221 L N 0.484 121.644 121.223 -0.106 0.000 1.978 221 L HA -0.100 4.240 4.340 -0.000 0.000 0.218 221 L C 1.217 177.810 176.870 -0.461 0.000 1.075 221 L CA 1.805 56.354 54.840 -0.486 0.000 0.767 221 L CB -0.777 40.782 42.059 -0.833 0.000 0.890 221 L HN -0.031 nan 8.230 nan 0.000 0.434 222 F N -0.464 119.525 119.950 0.065 0.000 2.713 222 F HA 0.251 4.777 4.527 -0.000 0.000 0.294 222 F C 0.815 176.656 175.800 0.068 0.000 1.152 222 F CA -0.480 57.587 58.000 0.112 0.000 1.385 222 F CB -0.407 38.653 39.000 0.101 0.000 0.981 222 F HN 0.080 nan 8.300 nan 0.000 0.514 223 E N 0.470 120.743 120.200 0.123 0.000 2.351 223 E HA 0.304 4.654 4.350 -0.000 0.000 0.266 223 E C 1.216 177.860 176.600 0.074 0.000 1.031 223 E CA 0.877 57.331 56.400 0.089 0.000 0.911 223 E CB 0.343 30.069 29.700 0.042 0.000 0.986 223 E HN 0.552 nan 8.360 nan 0.000 0.446 224 G N 3.149 112.009 108.800 0.099 0.000 2.225 224 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.254 224 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.254 224 G C 1.156 176.156 174.900 0.166 0.000 0.988 224 G CA 0.556 45.718 45.100 0.103 0.000 0.625 224 G HN 0.614 nan 8.290 nan 0.000 0.527 225 T N 1.148 115.825 114.554 0.205 0.000 2.708 225 T HA 0.118 4.467 4.350 -0.000 0.000 0.266 225 T C 2.782 177.641 174.700 0.265 0.000 1.037 225 T CA 2.571 64.845 62.100 0.289 0.000 1.146 225 T CB -0.476 68.650 68.868 0.430 0.000 0.865 225 T HN 1.241 nan 8.240 nan 0.000 0.435 226 A N 1.480 124.408 122.820 0.179 0.000 1.933 226 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 226 A C 2.223 179.873 177.584 0.109 0.000 1.175 226 A CA 1.713 53.820 52.037 0.116 0.000 0.628 226 A CB -0.515 18.529 19.000 0.075 0.000 0.814 226 A HN 0.426 nan 8.150 nan 0.000 0.444 227 E N -1.495 118.779 120.200 0.122 0.000 2.106 227 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 227 E C 1.556 178.216 176.600 0.100 0.000 0.984 227 E CA 1.127 57.580 56.400 0.089 0.000 0.806 227 E CB -0.358 29.393 29.700 0.085 0.000 0.750 227 E HN 0.836 nan 8.360 nan 0.000 0.458 228 W N 0.903 122.210 121.300 0.012 0.000 2.381 228 W HA -0.088 4.572 4.660 -0.000 0.000 0.301 228 W C 1.660 178.177 176.519 -0.004 0.000 1.205 228 W CA 1.397 58.745 57.345 0.004 0.000 1.285 228 W CB -0.132 29.338 29.460 0.017 0.000 1.133 228 W HN -0.019 nan 8.180 nan 0.000 0.521 229 I N 0.648 121.334 120.570 0.194 0.000 2.179 229 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 229 I C 2.608 178.629 176.117 -0.161 0.000 1.088 229 I CA 1.494 62.805 61.300 0.018 0.000 1.357 229 I CB -1.205 36.863 38.000 0.113 0.000 1.051 229 I HN 0.061 nan 8.210 nan 0.000 0.409 230 A N 0.729 123.492 122.820 -0.096 0.000 1.978 230 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 230 A C 2.362 179.836 177.584 -0.183 0.000 1.170 230 A CA 1.462 53.431 52.037 -0.114 0.000 0.636 230 A CB -0.608 18.356 19.000 -0.060 0.000 0.810 230 A HN 0.337 nan 8.150 nan 0.000 0.448 231 R N -1.154 119.190 120.500 -0.260 0.000 2.237 231 R HA -0.086 4.253 4.340 -0.000 0.000 0.219 231 R C 1.644 177.719 176.300 -0.374 0.000 1.080 231 R CA 1.182 57.098 56.100 -0.308 0.000 0.995 231 R CB -0.542 29.530 30.300 -0.380 0.000 0.875 231 R HN 0.621 nan 8.270 nan 0.000 0.462 232 C N 0.321 119.349 119.300 -0.452 0.000 2.539 232 C HA 0.025 4.485 4.460 -0.000 0.000 0.268 232 C C 1.356 176.161 174.990 -0.309 0.000 1.395 232 C CA -0.327 58.435 59.018 -0.426 0.000 1.757 232 C CB -0.789 26.661 27.740 -0.483 0.000 1.851 232 C HN 0.433 nan 8.230 nan 0.000 0.545 233 Q N 2.610 122.251 119.800 -0.264 0.000 2.313 233 Q HA 0.170 4.510 4.340 -0.000 0.000 0.266 233 Q C 0.138 175.997 176.000 -0.234 0.000 0.989 233 Q CA 0.237 55.886 55.803 -0.257 0.000 0.890 233 Q CB 0.589 29.207 28.738 -0.199 0.000 1.200 233 Q HN 0.696 nan 8.270 nan 0.000 0.396 234 N N 3.396 121.916 118.700 -0.300 0.000 2.813 234 N HA 0.136 4.876 4.740 -0.000 0.000 0.320 234 N C 0.720 176.101 175.510 -0.215 0.000 1.315 234 N CA -0.632 52.279 53.050 -0.232 0.000 0.871 234 N CB -0.401 37.909 38.487 -0.295 0.000 1.241 234 N HN 0.877 nan 8.380 nan 0.000 0.602 235 W N -0.776 120.463 121.300 -0.102 0.000 2.480 235 W HA 0.018 4.678 4.660 -0.000 0.000 0.257 235 W C 0.216 176.705 176.519 -0.050 0.000 1.235 235 W CA 0.577 57.885 57.345 -0.063 0.000 1.218 235 W CB -0.813 28.623 29.460 -0.040 0.000 1.131 235 W HN 0.572 nan 8.180 nan 0.000 0.606 236 E N 0.098 119.809 120.200 -0.814 0.000 2.385 236 E HA 0.161 4.511 4.350 -0.000 0.000 0.194 236 E C 2.084 178.467 176.600 -0.361 0.000 1.013 236 E CA 0.728 56.702 56.400 -0.710 0.000 0.866 236 E CB -0.150 28.937 29.700 -1.022 0.000 0.832 236 E HN 0.395 nan 8.360 nan 0.000 0.500 237 G N 0.780 109.353 108.800 -0.379 0.000 2.308 237 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.221 237 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.221 237 G C 0.614 175.250 174.900 -0.440 0.000 1.032 237 G CA -0.230 44.734 45.100 -0.228 0.000 0.623 237 G HN 0.510 nan 8.290 nan 0.000 0.506 238 G N -0.292 107.863 108.800 -1.075 0.000 2.563 238 G HA2 0.628 4.588 3.960 -0.000 0.000 0.283 238 G HA3 0.628 4.588 3.960 -0.000 0.000 0.283 238 G C -0.120 174.272 174.900 -0.846 0.000 1.309 238 G CA -0.445 43.786 45.100 -1.449 0.000 1.022 238 G HN 0.678 nan 8.290 nan 0.000 0.501 239 I N -0.056 120.114 120.570 -0.667 0.000 2.493 239 I HA 0.514 4.684 4.170 -0.000 0.000 0.298 239 I C 0.770 176.725 176.117 -0.269 0.000 0.998 239 I CA -0.730 60.346 61.300 -0.374 0.000 1.137 239 I CB 2.128 39.994 38.000 -0.223 0.000 1.310 239 I HN 0.583 nan 8.210 nan 0.000 0.445 240 G N 2.194 110.842 108.800 -0.254 0.000 2.509 240 G HA2 0.458 4.418 3.960 -0.000 0.000 0.328 240 G HA3 0.458 4.418 3.960 -0.000 0.000 0.328 240 G C 0.802 175.469 174.900 -0.389 0.000 1.194 240 G CA -0.218 44.746 45.100 -0.226 0.000 0.967 240 G HN 0.782 nan 8.290 nan 0.000 0.488 241 G N -1.100 107.247 108.800 -0.755 0.000 2.476 241 G HA2 0.165 4.125 3.960 -0.000 0.000 0.218 241 G HA3 0.165 4.125 3.960 -0.000 0.000 0.218 241 G C 0.726 175.381 174.900 -0.410 0.000 1.164 241 G CA 2.063 46.488 45.100 -1.124 0.000 0.768 241 G HN 1.540 nan 8.290 nan 0.000 0.560 242 V N -4.445 115.294 119.914 -0.293 0.000 3.078 242 V HA 0.670 4.789 4.120 -0.000 0.000 0.311 242 V C -2.945 172.990 176.094 -0.266 0.000 1.138 242 V CA -3.061 59.129 62.300 -0.184 0.000 1.007 242 V CB 1.767 33.596 31.823 0.010 0.000 1.045 242 V HN -0.077 nan 8.190 nan 0.000 0.432 243 P HA 0.255 nan 4.420 nan 0.000 0.259 243 P C 0.999 178.209 177.300 -0.151 0.000 1.163 243 P CA 2.297 65.228 63.100 -0.281 0.000 0.760 243 P CB 0.338 31.873 31.700 -0.274 0.000 0.762 244 G N 1.877 110.604 108.800 -0.122 0.000 2.194 244 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.236 244 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.236 244 G C 0.185 175.070 174.900 -0.025 0.000 0.987 244 G CA -0.424 44.648 45.100 -0.046 0.000 0.635 244 G HN 0.403 nan 8.290 nan 0.000 0.520 245 M N 1.197 120.749 119.600 -0.079 0.000 2.288 245 M HA 0.395 4.874 4.480 -0.000 0.000 0.334 245 M C 0.768 177.029 176.300 -0.064 0.000 1.150 245 M CA -0.938 54.327 55.300 -0.058 0.000 1.118 245 M CB 1.011 33.547 32.600 -0.106 0.000 1.501 245 M HN 0.405 nan 8.290 nan 0.000 0.462 246 E N 1.399 121.598 120.200 -0.002 0.000 2.481 246 E HA 0.175 4.525 4.350 -0.000 0.000 0.263 246 E C -0.631 175.921 176.600 -0.081 0.000 0.992 246 E CA -0.274 56.116 56.400 -0.017 0.000 0.938 246 E CB 0.671 30.416 29.700 0.075 0.000 0.933 246 E HN 0.693 nan 8.360 nan 0.000 0.453 247 A N 5.062 127.737 122.820 -0.242 0.000 2.524 247 A HA 0.061 4.381 4.320 -0.000 0.000 0.250 247 A C -0.454 177.116 177.584 -0.023 0.000 1.078 247 A CA 0.088 51.889 52.037 -0.395 0.000 0.761 247 A CB 0.258 18.662 19.000 -0.994 0.000 1.012 247 A HN 0.697 nan 8.150 nan 0.000 0.500 248 H N 1.872 120.927 119.070 -0.025 0.000 2.679 248 H HA 0.404 4.960 4.556 -0.000 0.000 0.360 248 H C 1.254 176.712 175.328 0.216 0.000 1.105 248 H CA 0.149 56.307 56.048 0.184 0.000 1.196 248 H CB 1.762 31.667 29.762 0.238 0.000 1.636 248 H HN 0.657 nan 8.280 nan 0.000 0.531 249 G N 2.682 111.536 108.800 0.090 0.000 2.476 249 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.218 249 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.218 249 G C 1.526 176.594 174.900 0.280 0.000 1.164 249 G CA 0.889 46.110 45.100 0.201 0.000 0.768 249 G HN 0.684 nan 8.290 nan 0.000 0.560 250 G N -0.149 108.829 108.800 0.298 0.000 2.421 250 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 250 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 250 G C 1.635 176.373 174.900 -0.270 0.000 1.171 250 G CA 0.962 45.860 45.100 -0.336 0.000 0.775 250 G HN 0.527 nan 8.290 nan 0.000 0.543 251 Y N 0.867 121.166 120.300 -0.001 0.000 2.263 251 Y HA -0.054 4.495 4.550 -0.000 0.000 0.292 251 Y C 3.327 179.208 175.900 -0.033 0.000 1.130 251 Y CA 1.223 59.299 58.100 -0.039 0.000 1.179 251 Y CB -0.349 38.083 38.460 -0.046 0.000 0.998 251 Y HN 0.105 nan 8.280 nan 0.000 0.532 252 T N 0.691 115.332 114.554 0.145 0.000 2.708 252 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 252 T C 1.588 176.304 174.700 0.026 0.000 1.037 252 T CA 1.614 63.737 62.100 0.039 0.000 1.146 252 T CB -0.720 68.186 68.868 0.064 0.000 0.865 252 T HN 0.371 nan 8.240 nan 0.000 0.435 253 F N 1.428 121.373 119.950 -0.007 0.000 2.095 253 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 253 F C 2.460 178.160 175.800 -0.166 0.000 1.104 253 F CA 0.754 58.723 58.000 -0.052 0.000 1.232 253 F CB -0.866 38.182 39.000 0.080 0.000 0.987 253 F HN 0.161 nan 8.300 nan 0.000 0.475 254 C N 0.858 120.016 119.300 -0.236 0.000 2.413 254 C HA -0.120 4.340 4.460 -0.000 0.000 0.276 254 C C 3.114 177.959 174.990 -0.242 0.000 1.248 254 C CA 1.405 60.194 59.018 -0.382 0.000 1.742 254 C CB -1.927 25.784 27.740 -0.048 0.000 2.017 254 C HN 0.749 nan 8.230 nan 0.000 0.481 255 G N -0.223 108.504 108.800 -0.121 0.000 2.404 255 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 255 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 255 G C 1.495 176.316 174.900 -0.133 0.000 1.174 255 G CA 0.857 45.913 45.100 -0.073 0.000 0.780 255 G HN 0.434 nan 8.290 nan 0.000 0.537 256 L N 1.430 122.534 121.223 -0.198 0.000 2.017 256 L HA 0.171 4.511 4.340 -0.000 0.000 0.208 256 L C 3.119 179.840 176.870 -0.249 0.000 1.073 256 L CA 2.163 56.888 54.840 -0.191 0.000 0.745 256 L CB -0.822 41.133 42.059 -0.175 0.000 0.894 256 L HN 0.242 nan 8.230 nan 0.000 0.432 257 A N -0.564 121.974 122.820 -0.470 0.000 1.908 257 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 257 A C 2.433 179.923 177.584 -0.156 0.000 1.181 257 A CA 2.051 53.830 52.037 -0.431 0.000 0.627 257 A CB -1.177 17.280 19.000 -0.906 0.000 0.818 257 A HN 0.585 nan 8.150 nan 0.000 0.445 258 A N -0.361 122.409 122.820 -0.083 0.000 1.873 258 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 258 A C 2.172 179.688 177.584 -0.113 0.000 1.186 258 A CA 1.400 53.405 52.037 -0.054 0.000 0.616 258 A CB -0.595 18.402 19.000 -0.005 0.000 0.823 258 A HN 0.466 nan 8.150 nan 0.000 0.442 259 L N -0.447 120.723 121.223 -0.087 0.000 2.042 259 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 259 L C 2.527 179.359 176.870 -0.063 0.000 1.076 259 L CA 1.125 55.925 54.840 -0.066 0.000 0.749 259 L CB -0.603 41.426 42.059 -0.049 0.000 0.893 259 L HN 0.246 nan 8.230 nan 0.000 0.432 260 V N 0.261 120.133 119.914 -0.070 0.000 2.392 260 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 260 V C 2.297 178.370 176.094 -0.035 0.000 1.059 260 V CA 1.834 64.110 62.300 -0.039 0.000 1.051 260 V CB -0.322 31.477 31.823 -0.039 0.000 0.658 260 V HN 0.344 nan 8.190 nan 0.000 0.455 261 I N -0.590 119.932 120.570 -0.080 0.000 2.315 261 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 261 I C 2.020 178.086 176.117 -0.086 0.000 1.117 261 I CA 1.507 62.756 61.300 -0.085 0.000 1.404 261 I CB -0.204 37.698 38.000 -0.164 0.000 1.071 261 I HN 0.259 nan 8.210 nan 0.000 0.419 262 L N 0.415 121.567 121.223 -0.119 0.000 2.554 262 L HA 0.033 4.373 4.340 -0.000 0.000 0.226 262 L C 0.406 177.264 176.870 -0.020 0.000 1.137 262 L CA 0.254 55.039 54.840 -0.091 0.000 0.863 262 L CB -0.286 41.703 42.059 -0.117 0.000 0.985 262 L HN 0.214 nan 8.230 nan 0.000 0.451 263 K N 0.658 121.051 120.400 -0.012 0.000 3.162 263 K HA -0.159 4.161 4.320 -0.000 0.000 0.268 263 K C -0.068 176.539 176.600 0.013 0.000 1.062 263 K CA 0.275 56.569 56.287 0.012 0.000 0.769 263 K CB -1.052 31.464 32.500 0.027 0.000 1.274 263 K HN 0.200 nan 8.250 nan 0.000 0.478 264 K N 0.088 120.489 120.400 0.002 0.000 2.619 264 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 264 K C 0.471 177.071 176.600 0.000 0.000 1.090 264 K CA -0.017 56.275 56.287 0.007 0.000 1.063 264 K CB 0.844 33.351 32.500 0.012 0.000 0.810 264 K HN 0.168 nan 8.250 nan 0.000 0.506 265 E N 1.074 121.273 120.200 -0.002 0.000 2.147 265 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 265 E C 1.551 178.150 176.600 -0.002 0.000 1.005 265 E CA 1.331 57.727 56.400 -0.006 0.000 0.810 265 E CB -0.126 29.576 29.700 0.003 0.000 0.736 265 E HN 0.203 nan 8.360 nan 0.000 0.460 266 R N 0.374 120.878 120.500 0.006 0.000 2.241 266 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 266 R C 2.045 178.346 176.300 0.002 0.000 1.101 266 R CA 1.028 57.132 56.100 0.007 0.000 0.995 266 R CB -0.195 30.113 30.300 0.013 0.000 0.870 266 R HN 0.078 nan 8.270 nan 0.000 0.463 267 S N 0.812 116.512 115.700 -0.000 0.000 2.465 267 S HA -0.039 4.431 4.470 -0.000 0.000 0.241 267 S C 0.948 175.538 174.600 -0.018 0.000 1.000 267 S CA 0.744 58.942 58.200 -0.004 0.000 0.964 267 S CB -0.078 63.122 63.200 -0.000 0.000 0.763 267 S HN 0.178 nan 8.310 nan 0.000 0.512 268 L N 1.514 122.724 121.223 -0.021 0.000 2.387 268 L HA 0.394 4.734 4.340 -0.000 0.000 0.266 268 L C 0.587 177.444 176.870 -0.021 0.000 1.059 268 L CA -0.797 54.023 54.840 -0.034 0.000 0.801 268 L CB 0.282 42.315 42.059 -0.043 0.000 1.223 268 L HN -0.029 nan 8.230 nan 0.000 0.456 269 N N 1.505 120.189 118.700 -0.026 0.000 2.968 269 N HA 0.144 4.884 4.740 -0.000 0.000 0.271 269 N C 0.846 176.356 175.510 0.000 0.000 1.174 269 N CA 0.027 53.071 53.050 -0.010 0.000 1.096 269 N CB 0.222 38.701 38.487 -0.013 0.000 1.403 269 N HN 0.596 nan 8.380 nan 0.000 0.522 270 L N 1.047 122.276 121.223 0.009 0.000 2.137 270 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 270 L C 2.387 179.284 176.870 0.045 0.000 1.085 270 L CA 1.298 56.153 54.840 0.026 0.000 0.760 270 L CB -0.267 41.810 42.059 0.030 0.000 0.893 270 L HN 0.501 nan 8.230 nan 0.000 0.434 271 K N 0.481 120.907 120.400 0.042 0.000 2.001 271 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 271 K C 2.401 179.041 176.600 0.067 0.000 1.048 271 K CA 1.803 58.123 56.287 0.055 0.000 0.932 271 K CB -0.081 32.447 32.500 0.046 0.000 0.715 271 K HN 0.347 nan 8.250 nan 0.000 0.437 272 S N 1.131 116.862 115.700 0.052 0.000 2.399 272 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 272 S C 2.015 176.669 174.600 0.090 0.000 1.022 272 S CA 1.053 59.289 58.200 0.062 0.000 0.983 272 S CB -0.436 62.781 63.200 0.029 0.000 0.803 272 S HN 0.366 nan 8.310 nan 0.000 0.480 273 L N 1.421 122.685 121.223 0.068 0.000 2.005 273 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 273 L C 2.293 179.282 176.870 0.199 0.000 1.072 273 L CA 1.794 56.698 54.840 0.106 0.000 0.744 273 L CB -1.224 40.860 42.059 0.042 0.000 0.895 273 L HN 0.408 nan 8.230 nan 0.000 0.433 274 L N -0.200 121.110 121.223 0.144 0.000 2.043 274 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 274 L C 2.595 179.560 176.870 0.158 0.000 1.075 274 L CA 2.389 57.320 54.840 0.152 0.000 0.752 274 L CB -0.739 41.397 42.059 0.129 0.000 0.891 274 L HN 0.638 nan 8.230 nan 0.000 0.432 275 Q N -1.731 118.159 119.800 0.149 0.000 2.119 275 Q HA -0.266 4.074 4.340 -0.000 0.000 0.201 275 Q C 2.058 178.146 176.000 0.146 0.000 0.972 275 Q CA 2.077 57.958 55.803 0.131 0.000 0.847 275 Q CB -0.531 28.277 28.738 0.115 0.000 0.903 275 Q HN 0.678 nan 8.270 nan 0.000 0.433 276 W N -0.313 120.988 121.300 0.001 0.000 2.379 276 W HA -0.183 4.477 4.660 -0.000 0.000 0.307 276 W C 1.988 178.507 176.519 -0.000 0.000 1.200 276 W CA 1.603 58.931 57.345 -0.027 0.000 1.297 276 W CB -0.586 28.829 29.460 -0.076 0.000 1.140 276 W HN 0.074 nan 8.180 nan 0.000 0.507 277 V N 1.296 121.263 119.914 0.088 0.000 2.358 277 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 277 V C 2.494 178.562 176.094 -0.044 0.000 1.047 277 V CA 3.222 65.436 62.300 -0.143 0.000 1.035 277 V CB -1.176 30.697 31.823 0.084 0.000 0.658 277 V HN 0.451 nan 8.190 nan 0.000 0.452 278 T N -2.622 111.971 114.554 0.066 0.000 2.849 278 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 278 T C 1.767 176.464 174.700 -0.005 0.000 1.066 278 T CA 1.854 64.024 62.100 0.116 0.000 1.130 278 T CB -0.598 68.347 68.868 0.128 0.000 0.864 278 T HN 0.475 nan 8.240 nan 0.000 0.481 279 S N 0.734 116.371 115.700 -0.106 0.000 2.562 279 S HA 0.165 4.635 4.470 -0.000 0.000 0.221 279 S C 1.829 176.270 174.600 -0.265 0.000 0.975 279 S CA -0.198 57.905 58.200 -0.161 0.000 0.918 279 S CB -0.096 63.015 63.200 -0.150 0.000 0.772 279 S HN 0.390 nan 8.310 nan 0.000 0.531 280 R N 1.273 121.583 120.500 -0.317 0.000 2.297 280 R HA 0.168 4.508 4.340 -0.000 0.000 0.197 280 R C 0.820 176.932 176.300 -0.313 0.000 0.943 280 R CA 0.087 55.997 56.100 -0.318 0.000 1.038 280 R CB -0.278 29.779 30.300 -0.404 0.000 0.957 280 R HN 0.502 nan 8.270 nan 0.000 0.484 281 Q N 1.105 120.540 119.800 -0.608 0.000 2.279 281 Q HA 0.165 4.505 4.340 -0.000 0.000 0.256 281 Q C -0.492 175.215 176.000 -0.487 0.000 0.937 281 Q CA -0.373 54.757 55.803 -1.121 0.000 0.933 281 Q CB 0.797 28.781 28.738 -1.258 0.000 1.189 281 Q HN -0.162 nan 8.270 nan 0.000 0.417 282 M N 4.151 123.518 119.600 -0.388 0.000 2.217 282 M HA 0.074 4.553 4.480 -0.000 0.000 0.352 282 M C 1.130 177.373 176.300 -0.094 0.000 1.376 282 M CA 0.516 55.707 55.300 -0.181 0.000 1.107 282 M CB 0.399 32.917 32.600 -0.136 0.000 1.723 282 M HN 0.734 nan 8.290 nan 0.000 0.461 283 R N 1.504 121.990 120.500 -0.023 0.000 2.115 283 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 283 R C 1.498 177.856 176.300 0.096 0.000 1.111 283 R CA 1.490 57.610 56.100 0.034 0.000 0.976 283 R CB -0.418 29.897 30.300 0.025 0.000 0.870 283 R HN 0.556 nan 8.270 nan 0.000 0.445 284 F N 1.918 121.856 119.950 -0.020 0.000 2.164 284 F HA 0.152 4.679 4.527 -0.000 0.000 0.287 284 F C 1.784 177.785 175.800 0.335 0.000 1.086 284 F CA 1.077 59.102 58.000 0.041 0.000 1.249 284 F CB 0.065 39.065 39.000 0.000 0.000 1.059 284 F HN -0.114 nan 8.300 nan 0.000 0.490 285 E N 0.166 120.444 120.200 0.130 0.000 2.077 285 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 285 E C 1.874 178.518 176.600 0.072 0.000 0.989 285 E CA 1.596 58.025 56.400 0.049 0.000 0.800 285 E CB -0.623 29.043 29.700 -0.055 0.000 0.746 285 E HN 0.641 nan 8.360 nan 0.000 0.452 286 G N -0.426 108.348 108.800 -0.044 0.000 2.279 286 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.223 286 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.223 286 G C 0.627 175.437 174.900 -0.150 0.000 1.015 286 G CA -0.116 44.964 45.100 -0.033 0.000 0.621 286 G HN 0.637 nan 8.290 nan 0.000 0.506 287 G N -0.460 108.086 108.800 -0.423 0.000 2.543 287 G HA2 0.606 4.566 3.960 -0.000 0.000 0.290 287 G HA3 0.606 4.566 3.960 -0.000 0.000 0.290 287 G C -0.454 174.262 174.900 -0.306 0.000 1.310 287 G CA -0.675 44.207 45.100 -0.364 0.000 1.025 287 G HN 0.277 nan 8.290 nan 0.000 0.502 288 F N -0.629 119.246 119.950 -0.126 0.000 2.440 288 F HA 0.416 4.943 4.527 -0.000 0.000 0.328 288 F C 0.799 176.566 175.800 -0.055 0.000 1.070 288 F CA -0.612 57.324 58.000 -0.107 0.000 1.011 288 F CB 1.959 40.898 39.000 -0.103 0.000 1.226 288 F HN 0.506 nan 8.300 nan 0.000 0.491 289 Q N 0.308 120.112 119.800 0.006 0.000 2.215 289 Q HA 0.593 4.932 4.340 -0.000 0.000 0.256 289 Q C 0.488 176.199 176.000 -0.481 0.000 0.972 289 Q CA -0.623 55.119 55.803 -0.102 0.000 0.889 289 Q CB 1.721 30.380 28.738 -0.132 0.000 1.281 289 Q HN 0.806 nan 8.270 nan 0.000 0.456 290 G N 1.152 109.484 108.800 -0.779 0.000 2.430 290 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.216 290 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.216 290 G C 0.183 174.611 174.900 -0.787 0.000 1.146 290 G CA 0.210 44.455 45.100 -1.425 0.000 0.793 290 G HN 0.695 nan 8.290 nan 0.000 0.537 291 R N -2.053 118.204 120.500 -0.405 0.000 2.663 291 R HA 0.426 4.766 4.340 -0.000 0.000 0.267 291 R C -1.113 175.130 176.300 -0.094 0.000 1.038 291 R CA -0.943 55.070 56.100 -0.145 0.000 0.886 291 R CB 0.137 30.413 30.300 -0.040 0.000 1.249 291 R HN -0.033 nan 8.270 nan 0.000 0.463 292 C N 2.817 122.102 119.300 -0.025 0.000 2.465 292 C HA -0.006 4.453 4.460 -0.000 0.000 0.402 292 C C 0.765 175.759 174.990 0.006 0.000 1.448 292 C CA 1.305 60.309 59.018 -0.025 0.000 1.589 292 C CB -1.462 26.303 27.740 0.042 0.000 2.535 292 C HN 1.015 nan 8.230 nan 0.000 0.600 293 N N 2.515 121.210 118.700 -0.009 0.000 2.776 293 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 293 N C -0.386 175.132 175.510 0.014 0.000 1.112 293 N CA 1.296 54.351 53.050 0.010 0.000 0.733 293 N CB -0.627 37.881 38.487 0.035 0.000 1.097 293 N HN 0.788 nan 8.380 nan 0.000 0.558 294 K N -0.022 120.378 120.400 -0.000 0.000 2.307 294 K HA 0.584 4.903 4.320 -0.000 0.000 0.239 294 K C 0.548 177.161 176.600 0.021 0.000 1.083 294 K CA -0.770 55.530 56.287 0.021 0.000 0.913 294 K CB 1.084 33.602 32.500 0.030 0.000 1.322 294 K HN -0.068 nan 8.250 nan 0.000 0.514 295 L N 1.019 122.275 121.223 0.055 0.000 2.399 295 L HA 0.309 4.649 4.340 -0.000 0.000 0.266 295 L C 0.552 177.477 176.870 0.092 0.000 1.114 295 L CA -0.880 53.999 54.840 0.065 0.000 0.804 295 L CB 1.047 43.154 42.059 0.080 0.000 1.146 295 L HN 0.256 nan 8.230 nan 0.000 0.451 296 V N 1.273 121.223 119.914 0.061 0.000 2.963 296 V HA 0.106 4.226 4.120 -0.000 0.000 0.306 296 V C -0.504 175.700 176.094 0.184 0.000 1.077 296 V CA 0.447 62.775 62.300 0.048 0.000 1.124 296 V CB 1.323 33.055 31.823 -0.153 0.000 0.987 296 V HN 0.877 nan 8.190 nan 0.000 0.487 297 D N 3.102 123.680 120.400 0.296 0.000 2.891 297 D HA 0.354 4.994 4.640 -0.000 0.000 0.224 297 D C 0.765 177.267 176.300 0.338 0.000 1.321 297 D CA 0.214 54.408 54.000 0.324 0.000 0.929 297 D CB 1.756 42.733 40.800 0.294 0.000 1.551 297 D HN 0.622 nan 8.370 nan 0.000 0.574 298 G N 2.008 111.047 108.800 0.399 0.000 2.507 298 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.221 298 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.221 298 G C 1.745 176.776 174.900 0.219 0.000 1.119 298 G CA 1.412 46.740 45.100 0.382 0.000 0.751 298 G HN 0.730 nan 8.290 nan 0.000 0.574 299 C N -1.551 117.829 119.300 0.134 0.000 2.432 299 C HA 0.168 4.627 4.460 -0.000 0.000 0.282 299 C C 2.321 177.227 174.990 -0.140 0.000 1.388 299 C CA 0.156 59.106 59.018 -0.114 0.000 1.777 299 C CB -1.589 26.000 27.740 -0.252 0.000 1.882 299 C HN 0.468 nan 8.230 nan 0.000 0.520 300 Y N 1.859 122.266 120.300 0.179 0.000 2.616 300 Y HA -0.038 4.512 4.550 -0.000 0.000 0.296 300 Y C 2.706 178.553 175.900 -0.089 0.000 1.154 300 Y CA 0.619 58.785 58.100 0.110 0.000 1.325 300 Y CB -0.256 38.292 38.460 0.147 0.000 1.007 300 Y HN 0.318 nan 8.280 nan 0.000 0.542 301 S N -0.056 115.710 115.700 0.109 0.000 2.465 301 S HA -0.181 4.288 4.470 -0.000 0.000 0.241 301 S C 1.405 175.914 174.600 -0.152 0.000 1.000 301 S CA 1.258 59.479 58.200 0.034 0.000 0.964 301 S CB -0.287 63.000 63.200 0.144 0.000 0.763 301 S HN 0.551 nan 8.310 nan 0.000 0.512 302 F N -0.071 119.679 119.950 -0.333 0.000 2.482 302 F HA 0.232 4.759 4.527 -0.000 0.000 0.278 302 F C 1.473 176.967 175.800 -0.510 0.000 0.969 302 F CA -0.194 57.515 58.000 -0.484 0.000 1.223 302 F CB -0.689 37.930 39.000 -0.635 0.000 1.140 302 F HN 0.130 nan 8.300 nan 0.000 0.672 303 W N 1.347 122.425 121.300 -0.370 0.000 2.318 303 W HA -0.244 4.416 4.660 -0.000 0.000 0.313 303 W C 2.397 178.710 176.519 -0.344 0.000 1.221 303 W CA 1.242 58.346 57.345 -0.401 0.000 1.266 303 W CB -0.603 28.852 29.460 -0.007 0.000 1.150 303 W HN 0.109 nan 8.180 nan 0.000 0.496 304 Q N -0.004 119.686 119.800 -0.183 0.000 1.990 304 Q HA -0.011 4.329 4.340 -0.000 0.000 0.195 304 Q C 2.506 178.007 176.000 -0.831 0.000 0.977 304 Q CA 1.517 57.034 55.803 -0.477 0.000 0.828 304 Q CB -1.476 26.860 28.738 -0.670 0.000 0.896 304 Q HN 0.288 nan 8.270 nan 0.000 0.447 305 A N 1.169 123.194 122.820 -1.325 0.000 2.032 305 A HA -0.117 4.203 4.320 -0.000 0.000 0.221 305 A C 2.199 179.292 177.584 -0.818 0.000 1.165 305 A CA 1.796 53.024 52.037 -1.350 0.000 0.645 305 A CB -1.053 17.096 19.000 -1.418 0.000 0.807 305 A HN 0.472 nan 8.150 nan 0.000 0.453 306 G N -0.789 107.559 108.800 -0.754 0.000 2.559 306 G HA2 0.003 3.963 3.960 -0.000 0.000 0.216 306 G HA3 0.003 3.963 3.960 -0.000 0.000 0.216 306 G C 1.377 176.066 174.900 -0.352 0.000 1.126 306 G CA 0.713 45.404 45.100 -0.682 0.000 0.778 306 G HN 0.463 nan 8.290 nan 0.000 0.543 307 L N -0.362 120.700 121.223 -0.268 0.000 2.109 307 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 307 L C 2.756 179.576 176.870 -0.083 0.000 1.086 307 L CA 0.306 55.085 54.840 -0.102 0.000 0.760 307 L CB -0.222 41.814 42.059 -0.038 0.000 0.910 307 L HN 0.188 nan 8.230 nan 0.000 0.437 308 L N -0.261 120.900 121.223 -0.103 0.000 2.042 308 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 308 L C -0.291 176.582 176.870 0.004 0.000 1.076 308 L CA 1.538 56.422 54.840 0.073 0.000 0.749 308 L CB -1.646 40.597 42.059 0.307 0.000 0.893 308 L HN 0.211 nan 8.230 nan 0.000 0.432 309 P HA -0.153 nan 4.420 nan 0.000 0.217 309 P C 1.908 179.146 177.300 -0.103 0.000 1.150 309 P CA 1.244 63.961 63.100 -0.639 0.000 0.832 309 P CB 0.086 31.202 31.700 -0.974 0.000 0.787 310 L N -1.594 119.579 121.223 -0.084 0.000 2.046 310 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 310 L C 2.424 179.328 176.870 0.057 0.000 1.077 310 L CA 1.428 56.261 54.840 -0.011 0.000 0.747 310 L CB -1.005 41.025 42.059 -0.050 0.000 0.896 310 L HN -0.013 nan 8.230 nan 0.000 0.432 311 L N -1.078 120.196 121.223 0.086 0.000 2.027 311 L HA -0.251 4.089 4.340 -0.000 0.000 0.206 311 L C 2.654 179.636 176.870 0.187 0.000 1.074 311 L CA 1.282 56.197 54.840 0.125 0.000 0.745 311 L CB -0.674 41.469 42.059 0.141 0.000 0.898 311 L HN 0.276 nan 8.230 nan 0.000 0.433 312 H N 0.195 119.390 119.070 0.208 0.000 2.353 312 H HA -0.246 4.310 4.556 -0.000 0.000 0.298 312 H C 2.444 177.909 175.328 0.229 0.000 1.103 312 H CA 2.156 58.379 56.048 0.291 0.000 1.293 312 H CB 0.081 30.142 29.762 0.499 0.000 1.372 312 H HN 0.108 nan 8.280 nan 0.000 0.501 313 R N -0.111 120.544 120.500 0.259 0.000 2.092 313 R HA -0.069 4.270 4.340 -0.000 0.000 0.231 313 R C 2.316 178.689 176.300 0.122 0.000 1.119 313 R CA 1.161 57.357 56.100 0.160 0.000 0.970 313 R CB -0.316 30.055 30.300 0.119 0.000 0.864 313 R HN 0.387 nan 8.270 nan 0.000 0.440 314 A N 1.226 124.105 122.820 0.098 0.000 1.854 314 A HA -0.062 4.257 4.320 -0.000 0.000 0.214 314 A C 2.207 179.832 177.584 0.068 0.000 1.192 314 A CA 1.047 53.128 52.037 0.073 0.000 0.611 314 A CB -0.567 18.465 19.000 0.053 0.000 0.832 314 A HN 0.330 nan 8.150 nan 0.000 0.442 315 L N -1.115 120.143 121.223 0.059 0.000 2.042 315 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 315 L C 2.760 179.643 176.870 0.022 0.000 1.076 315 L CA 1.666 56.525 54.840 0.032 0.000 0.749 315 L CB -0.743 41.331 42.059 0.025 0.000 0.893 315 L HN 0.609 nan 8.230 nan 0.000 0.432 316 H N 0.524 119.542 119.070 -0.087 0.000 2.389 316 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 316 H C 2.101 177.421 175.328 -0.014 0.000 1.081 316 H CA 1.487 57.488 56.048 -0.078 0.000 1.345 316 H CB 0.313 30.011 29.762 -0.105 0.000 1.393 316 H HN 0.310 nan 8.280 nan 0.000 0.520 317 A N 0.898 123.825 122.820 0.179 0.000 1.978 317 A HA -0.173 4.146 4.320 -0.000 0.000 0.220 317 A C 2.210 179.817 177.584 0.037 0.000 1.170 317 A CA 1.513 53.626 52.037 0.126 0.000 0.636 317 A CB -0.440 18.622 19.000 0.102 0.000 0.810 317 A HN 0.595 nan 8.150 nan 0.000 0.448 318 Q N -1.536 118.271 119.800 0.012 0.000 2.365 318 Q HA 0.257 4.597 4.340 -0.000 0.000 0.203 318 Q C 1.100 177.072 176.000 -0.046 0.000 0.929 318 Q CA 0.293 56.091 55.803 -0.009 0.000 0.948 318 Q CB 0.019 28.758 28.738 0.001 0.000 1.043 318 Q HN 0.866 nan 8.270 nan 0.000 0.505 319 G N 1.762 110.498 108.800 -0.107 0.000 2.162 319 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 319 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 319 G C -0.059 174.759 174.900 -0.138 0.000 0.976 319 G CA 0.250 45.257 45.100 -0.155 0.000 0.655 319 G HN 0.454 nan 8.290 nan 0.000 0.533 320 D N 1.100 121.437 120.400 -0.104 0.000 2.570 320 D HA 0.103 4.742 4.640 -0.000 0.000 0.243 320 D C 0.109 176.366 176.300 -0.072 0.000 1.171 320 D CA -0.262 53.701 54.000 -0.063 0.000 0.879 320 D CB 1.035 41.814 40.800 -0.036 0.000 1.143 320 D HN 0.311 nan 8.370 nan 0.000 0.511 321 P HA 0.084 nan 4.420 nan 0.000 0.251 321 P C 0.631 177.932 177.300 0.002 0.000 1.223 321 P CA 0.099 63.184 63.100 -0.026 0.000 0.796 321 P CB 0.456 32.142 31.700 -0.022 0.000 1.068 322 A N 0.184 123.010 122.820 0.010 0.000 2.081 322 A HA 0.125 4.445 4.320 -0.000 0.000 0.214 322 A C 1.329 178.942 177.584 0.049 0.000 1.158 322 A CA -0.057 51.995 52.037 0.025 0.000 0.724 322 A CB -0.928 18.087 19.000 0.025 0.000 0.826 322 A HN 0.127 nan 8.150 nan 0.000 0.463 323 L N 1.406 122.667 121.223 0.064 0.000 2.615 323 L HA -0.019 4.321 4.340 -0.000 0.000 0.284 323 L C 1.193 178.172 176.870 0.182 0.000 1.237 323 L CA -0.206 54.714 54.840 0.134 0.000 0.905 323 L CB 0.163 42.262 42.059 0.066 0.000 1.149 323 L HN 0.365 nan 8.230 nan 0.000 0.499 324 S N 3.255 119.066 115.700 0.186 0.000 2.580 324 S HA 0.101 4.571 4.470 -0.000 0.000 0.266 324 S C 0.710 175.350 174.600 0.067 0.000 1.354 324 S CA -0.237 57.990 58.200 0.045 0.000 1.008 324 S CB 0.609 63.764 63.200 -0.075 0.000 0.898 324 S HN 0.620 nan 8.310 nan 0.000 0.555 325 M N 2.423 121.940 119.600 -0.138 0.000 2.502 325 M HA 0.219 4.699 4.480 -0.000 0.000 0.351 325 M C 0.663 176.619 176.300 -0.573 0.000 1.118 325 M CA 0.142 55.379 55.300 -0.105 0.000 0.952 325 M CB -0.185 32.428 32.600 0.022 0.000 1.424 325 M HN 0.835 nan 8.290 nan 0.000 0.529 326 S N -2.160 112.787 115.700 -1.255 0.000 2.760 326 S HA 0.288 4.758 4.470 -0.000 0.000 0.263 326 S C -0.125 173.311 174.600 -1.940 0.000 1.007 326 S CA -0.414 56.876 58.200 -1.518 0.000 1.358 326 S CB 0.362 62.996 63.200 -0.944 0.000 1.228 326 S HN 0.452 nan 8.310 nan 0.000 0.684 327 H N -1.047 116.952 119.070 -1.786 0.000 3.046 327 H HA 0.561 5.117 4.556 -0.000 0.000 0.361 327 H C -1.480 173.508 175.328 -0.567 0.000 1.235 327 H CA -0.799 54.672 56.048 -0.961 0.000 1.146 327 H CB 0.557 30.001 29.762 -0.531 0.000 1.859 327 H HN 0.309 nan 8.280 nan 0.000 0.548 328 W N 1.612 122.956 121.300 0.075 0.000 2.213 328 W HA 0.341 5.001 4.660 -0.000 0.000 0.356 328 W C 0.548 177.126 176.519 0.098 0.000 1.273 328 W CA -0.814 56.635 57.345 0.173 0.000 1.391 328 W CB 0.604 30.203 29.460 0.231 0.000 1.187 328 W HN 0.347 nan 8.180 nan 0.000 0.649 329 M N 3.247 123.161 119.600 0.524 0.000 3.663 329 M HA 0.165 4.645 4.480 -0.000 0.000 0.198 329 M C -1.180 175.382 176.300 0.436 0.000 1.365 329 M CA 0.269 55.783 55.300 0.357 0.000 1.595 329 M CB -1.022 31.767 32.600 0.315 0.000 1.120 329 M HN 0.318 nan 8.290 nan 0.000 0.522 330 F N -3.600 116.506 119.950 0.260 0.000 2.668 330 F HA 0.380 4.907 4.527 -0.000 0.000 0.309 330 F C -0.522 175.393 175.800 0.191 0.000 1.117 330 F CA -1.323 56.832 58.000 0.258 0.000 0.951 330 F CB 0.793 40.052 39.000 0.432 0.000 1.323 330 F HN -0.048 nan 8.300 nan 0.000 0.451 331 H N 3.283 122.470 119.070 0.195 0.000 3.330 331 H HA 0.122 4.678 4.556 -0.000 0.000 0.260 331 H C 0.863 176.197 175.328 0.010 0.000 1.439 331 H CA 0.983 57.007 56.048 -0.039 0.000 1.540 331 H CB 0.674 30.355 29.762 -0.135 0.000 1.698 331 H HN 0.906 nan 8.280 nan 0.000 0.516 332 Q N 2.348 122.040 119.800 -0.179 0.000 2.045 332 Q HA -0.254 4.085 4.340 -0.000 0.000 0.206 332 Q C 2.233 178.325 176.000 0.155 0.000 0.991 332 Q CA 2.036 57.800 55.803 -0.065 0.000 0.851 332 Q CB 0.100 28.738 28.738 -0.166 0.000 0.911 332 Q HN 0.721 nan 8.270 nan 0.000 0.418 333 Q N -0.073 119.796 119.800 0.115 0.000 2.030 333 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 333 Q C 1.992 178.071 176.000 0.132 0.000 0.986 333 Q CA 1.608 57.481 55.803 0.118 0.000 0.843 333 Q CB -0.237 28.550 28.738 0.081 0.000 0.904 333 Q HN 0.404 nan 8.270 nan 0.000 0.420 334 A N 0.712 123.612 122.820 0.134 0.000 1.972 334 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 334 A C 1.971 179.634 177.584 0.131 0.000 1.169 334 A CA 1.352 53.349 52.037 -0.068 0.000 0.635 334 A CB -0.630 18.062 19.000 -0.513 0.000 0.810 334 A HN 0.509 nan 8.150 nan 0.000 0.446 335 L N -0.376 121.002 121.223 0.259 0.000 2.072 335 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 335 L C 2.372 179.420 176.870 0.296 0.000 1.079 335 L CA 2.117 57.163 54.840 0.345 0.000 0.752 335 L CB -0.678 41.696 42.059 0.525 0.000 0.906 335 L HN 0.480 nan 8.230 nan 0.000 0.436 336 Q N -0.552 119.384 119.800 0.227 0.000 2.124 336 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 336 Q C 2.061 178.131 176.000 0.117 0.000 0.977 336 Q CA 1.874 57.767 55.803 0.150 0.000 0.850 336 Q CB -0.111 28.687 28.738 0.100 0.000 0.901 336 Q HN 0.636 nan 8.270 nan 0.000 0.429 337 E N -0.268 119.998 120.200 0.110 0.000 2.106 337 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 337 E C 1.655 178.353 176.600 0.163 0.000 0.984 337 E CA 0.929 57.373 56.400 0.073 0.000 0.806 337 E CB -0.112 29.578 29.700 -0.017 0.000 0.750 337 E HN 0.336 nan 8.360 nan 0.000 0.458 338 Y N 1.462 121.837 120.300 0.125 0.000 2.114 338 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 338 Y C 1.927 177.900 175.900 0.121 0.000 1.143 338 Y CA 1.446 59.641 58.100 0.159 0.000 1.135 338 Y CB -0.260 38.286 38.460 0.144 0.000 0.980 338 Y HN -0.070 nan 8.280 nan 0.000 0.499 339 I N -0.299 120.281 120.570 0.018 0.000 2.127 339 I HA -0.361 3.809 4.170 -0.000 0.000 0.241 339 I C 2.438 178.505 176.117 -0.084 0.000 1.075 339 I CA 1.632 62.889 61.300 -0.072 0.000 1.334 339 I CB -0.612 37.427 38.000 0.064 0.000 1.040 339 I HN 0.244 nan 8.210 nan 0.000 0.405 340 L N -0.331 120.889 121.223 -0.005 0.000 2.017 340 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 340 L C 2.589 179.467 176.870 0.014 0.000 1.073 340 L CA 1.616 56.463 54.840 0.013 0.000 0.745 340 L CB -0.385 41.693 42.059 0.031 0.000 0.894 340 L HN 0.304 nan 8.230 nan 0.000 0.432 341 M N -2.024 117.593 119.600 0.029 0.000 2.435 341 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 341 M C 1.767 178.061 176.300 -0.010 0.000 1.104 341 M CA 0.836 56.185 55.300 0.082 0.000 1.140 341 M CB 0.057 32.788 32.600 0.218 0.000 1.372 341 M HN 0.348 nan 8.290 nan 0.000 0.456 342 C N -1.683 117.517 119.300 -0.166 0.000 3.228 342 C HA 0.188 4.648 4.460 -0.000 0.000 0.290 342 C C 1.807 176.603 174.990 -0.324 0.000 1.301 342 C CA -0.543 58.305 59.018 -0.285 0.000 1.703 342 C CB -0.557 26.909 27.740 -0.457 0.000 2.141 342 C HN 0.578 nan 8.230 nan 0.000 0.656 343 C N 0.735 119.857 119.300 -0.298 0.000 3.336 343 C HA 0.197 4.657 4.460 -0.000 0.000 0.291 343 C C 0.656 175.573 174.990 -0.122 0.000 1.363 343 C CA -0.166 58.720 59.018 -0.219 0.000 1.737 343 C CB -1.377 26.226 27.740 -0.228 0.000 2.274 343 C HN 0.602 nan 8.230 nan 0.000 0.663 344 Q N 0.388 120.144 119.800 -0.074 0.000 2.241 344 Q HA 0.338 4.678 4.340 -0.000 0.000 0.254 344 Q C -0.449 175.539 176.000 -0.020 0.000 0.917 344 Q CA -0.052 55.753 55.803 0.005 0.000 0.919 344 Q CB 1.804 30.596 28.738 0.091 0.000 1.237 344 Q HN 0.454 nan 8.270 nan 0.000 0.434 345 C N 5.036 124.325 119.300 -0.019 0.000 2.415 345 C HA 0.319 4.779 4.460 -0.000 0.000 0.369 345 C C -0.915 174.034 174.990 -0.068 0.000 1.279 345 C CA -1.967 57.003 59.018 -0.080 0.000 1.886 345 C CB 0.093 27.736 27.740 -0.161 0.000 2.468 345 C HN 0.746 nan 8.230 nan 0.000 0.553 346 P HA -0.101 nan 4.420 nan 0.000 0.218 346 P C 1.092 178.332 177.300 -0.101 0.000 1.148 346 P CA 2.063 65.113 63.100 -0.082 0.000 0.822 346 P CB 0.018 31.677 31.700 -0.069 0.000 0.784 347 A N -0.602 122.156 122.820 -0.104 0.000 2.206 347 A HA 0.440 4.760 4.320 -0.000 0.000 0.211 347 A C 1.076 178.591 177.584 -0.115 0.000 1.158 347 A CA 0.806 52.783 52.037 -0.100 0.000 0.761 347 A CB -0.919 18.030 19.000 -0.085 0.000 0.801 347 A HN 0.412 nan 8.150 nan 0.000 0.473 348 G N -2.836 105.875 108.800 -0.150 0.000 2.592 348 G HA2 0.546 4.506 3.960 -0.000 0.000 0.685 348 G HA3 0.546 4.506 3.960 -0.000 0.000 0.685 348 G C 0.326 175.067 174.900 -0.264 0.000 1.278 348 G CA -0.212 44.822 45.100 -0.109 0.000 0.822 348 G HN 2.388 nan 8.290 nan 0.000 0.652 349 G N -1.022 107.871 108.800 0.154 0.000 2.690 349 G HA2 0.360 4.320 3.960 -0.000 0.000 0.686 349 G HA3 0.360 4.320 3.960 -0.000 0.000 0.686 349 G C -0.584 174.186 174.900 -0.216 0.000 1.277 349 G CA 0.107 45.020 45.100 -0.312 0.000 0.799 349 G HN 1.649 nan 8.290 nan 0.000 0.613 350 L N -0.065 121.025 121.223 -0.222 0.000 2.271 350 L HA 0.993 5.332 4.340 -0.000 0.000 0.265 350 L C 0.449 177.257 176.870 -0.104 0.000 1.013 350 L CA -0.956 53.785 54.840 -0.166 0.000 0.820 350 L CB 1.796 43.739 42.059 -0.193 0.000 1.352 350 L HN 1.127 nan 8.230 nan 0.000 0.443 351 L N -3.685 117.479 121.223 -0.098 0.000 2.502 351 L HA 0.663 5.003 4.340 -0.000 0.000 0.253 351 L C 0.340 177.103 176.870 -0.178 0.000 1.070 351 L CA -0.692 54.048 54.840 -0.166 0.000 0.871 351 L CB 0.567 42.509 42.059 -0.195 0.000 1.487 351 L HN 0.445 nan 8.230 nan 0.000 0.408 352 D N 0.461 120.578 120.400 -0.472 0.000 2.120 352 D HA -0.146 4.494 4.640 -0.000 0.000 0.191 352 D C 0.001 176.311 176.300 0.017 0.000 0.994 352 D CA 2.576 56.423 54.000 -0.255 0.000 0.838 352 D CB 0.311 40.892 40.800 -0.364 0.000 0.976 352 D HN 0.745 nan 8.370 nan 0.000 0.447 353 K N -1.941 118.442 120.400 -0.028 0.000 2.578 353 K HA 0.518 4.838 4.320 -0.000 0.000 0.287 353 K C -3.018 173.563 176.600 -0.033 0.000 1.010 353 K CA -1.643 54.671 56.287 0.045 0.000 0.889 353 K CB 1.373 33.959 32.500 0.142 0.000 1.514 353 K HN -0.292 nan 8.250 nan 0.000 0.424 354 P HA 0.000 nan 4.420 nan 0.000 0.261 354 P C 0.483 177.759 177.300 -0.040 0.000 1.183 354 P CA 1.864 64.931 63.100 -0.056 0.000 0.761 354 P CB 0.504 32.170 31.700 -0.056 0.000 0.785 355 G N 1.932 110.701 108.800 -0.052 0.000 2.259 355 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 355 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 355 G C 0.148 175.016 174.900 -0.053 0.000 1.001 355 G CA -0.365 44.709 45.100 -0.043 0.000 0.627 355 G HN 0.452 nan 8.290 nan 0.000 0.501 356 K N 1.696 122.054 120.400 -0.071 0.000 2.154 356 K HA 0.606 4.926 4.320 -0.000 0.000 0.264 356 K C 0.836 177.371 176.600 -0.108 0.000 1.008 356 K CA 0.304 56.535 56.287 -0.093 0.000 0.937 356 K CB 1.372 33.792 32.500 -0.133 0.000 1.002 356 K HN 0.644 nan 8.250 nan 0.000 0.469 357 S N 1.177 116.815 115.700 -0.103 0.000 2.610 357 S HA 0.353 4.823 4.470 -0.000 0.000 0.273 357 S C 0.228 174.757 174.600 -0.117 0.000 1.274 357 S CA -0.905 57.237 58.200 -0.096 0.000 1.023 357 S CB 0.969 64.128 63.200 -0.068 0.000 0.962 357 S HN 0.557 nan 8.310 nan 0.000 0.523 358 R N 0.654 121.080 120.500 -0.124 0.000 2.738 358 R HA 0.525 4.865 4.340 -0.000 0.000 0.268 358 R C -0.915 175.365 176.300 -0.034 0.000 1.062 358 R CA -0.328 55.689 56.100 -0.139 0.000 1.158 358 R CB -0.292 29.834 30.300 -0.291 0.000 1.046 358 R HN 0.859 nan 8.270 nan 0.000 0.493 359 D N -0.202 120.216 120.400 0.029 0.000 2.653 359 D HA 0.130 4.770 4.640 -0.000 0.000 0.258 359 D C -0.417 175.924 176.300 0.068 0.000 1.252 359 D CA -0.843 53.242 54.000 0.142 0.000 0.777 359 D CB 0.185 41.117 40.800 0.220 0.000 1.339 359 D HN 0.367 nan 8.370 nan 0.000 0.422 360 F N -0.766 119.401 119.950 0.362 0.000 2.293 360 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 360 F C 1.976 177.714 175.800 -0.103 0.000 1.086 360 F CA 0.539 58.633 58.000 0.157 0.000 1.375 360 F CB -0.418 38.657 39.000 0.125 0.000 1.045 360 F HN 0.484 nan 8.300 nan 0.000 0.516 361 Y N 0.594 120.695 120.300 -0.333 0.000 2.097 361 Y HA -0.305 4.245 4.550 -0.000 0.000 0.282 361 Y C 2.447 178.031 175.900 -0.528 0.000 1.152 361 Y CA 2.106 59.623 58.100 -0.972 0.000 1.136 361 Y CB -0.831 37.066 38.460 -0.938 0.000 0.975 361 Y HN 0.052 nan 8.280 nan 0.000 0.498 362 H N -1.174 117.843 119.070 -0.088 0.000 2.491 362 H HA -0.067 4.489 4.556 -0.000 0.000 0.290 362 H C 2.133 177.340 175.328 -0.202 0.000 1.050 362 H CA 1.724 57.700 56.048 -0.120 0.000 1.309 362 H CB -0.216 29.553 29.762 0.012 0.000 1.392 362 H HN 0.321 nan 8.280 nan 0.000 0.554 363 T N -0.672 113.832 114.554 -0.084 0.000 2.737 363 T HA -0.214 4.136 4.350 -0.000 0.000 0.265 363 T C 2.351 176.907 174.700 -0.240 0.000 1.038 363 T CA 1.264 63.292 62.100 -0.120 0.000 1.144 363 T CB -0.675 68.208 68.868 0.026 0.000 0.866 363 T HN 0.567 nan 8.240 nan 0.000 0.434 364 C N 0.693 119.771 119.300 -0.370 0.000 2.436 364 C HA -0.108 4.351 4.460 -0.000 0.000 0.277 364 C C 2.354 176.906 174.990 -0.731 0.000 1.241 364 C CA 0.591 59.260 59.018 -0.582 0.000 1.721 364 C CB -1.426 25.818 27.740 -0.827 0.000 2.043 364 C HN 0.659 nan 8.230 nan 0.000 0.472 365 Y N -0.512 119.457 120.300 -0.552 0.000 2.365 365 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 365 Y C 2.884 178.588 175.900 -0.328 0.000 1.119 365 Y CA 1.160 58.907 58.100 -0.587 0.000 1.203 365 Y CB -0.576 37.342 38.460 -0.903 0.000 1.026 365 Y HN 0.372 nan 8.280 nan 0.000 0.549 366 C N 0.061 119.281 119.300 -0.134 0.000 2.425 366 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 366 C C 2.663 177.614 174.990 -0.065 0.000 1.280 366 C CA 1.000 59.988 59.018 -0.049 0.000 1.744 366 C CB -1.169 26.542 27.740 -0.048 0.000 1.989 366 C HN 0.527 nan 8.230 nan 0.000 0.491 367 L N 0.138 121.276 121.223 -0.140 0.000 2.072 367 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 367 L C 2.660 179.476 176.870 -0.090 0.000 1.079 367 L CA 1.322 56.084 54.840 -0.129 0.000 0.752 367 L CB -0.658 41.285 42.059 -0.192 0.000 0.906 367 L HN 0.274 nan 8.230 nan 0.000 0.436 368 S N 0.163 115.786 115.700 -0.129 0.000 2.370 368 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 368 S C 2.027 176.713 174.600 0.145 0.000 1.033 368 S CA 1.347 59.534 58.200 -0.022 0.000 1.011 368 S CB -0.685 62.387 63.200 -0.213 0.000 0.852 368 S HN 0.611 nan 8.310 nan 0.000 0.457 369 G N 1.750 110.627 108.800 0.130 0.000 2.418 369 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 369 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 369 G C 1.382 176.364 174.900 0.135 0.000 1.158 369 G CA 0.900 46.078 45.100 0.130 0.000 0.771 369 G HN 0.407 nan 8.290 nan 0.000 0.545 370 L N 1.230 122.511 121.223 0.098 0.000 2.012 370 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 370 L C 2.883 179.800 176.870 0.078 0.000 1.073 370 L CA 2.557 57.451 54.840 0.090 0.000 0.748 370 L CB -0.984 41.099 42.059 0.041 0.000 0.891 370 L HN 0.246 nan 8.230 nan 0.000 0.431 371 S N -0.698 115.050 115.700 0.079 0.000 2.353 371 S HA -0.197 4.273 4.470 -0.000 0.000 0.222 371 S C 2.101 176.801 174.600 0.166 0.000 1.035 371 S CA 1.772 60.034 58.200 0.104 0.000 1.025 371 S CB -0.459 62.840 63.200 0.165 0.000 0.902 371 S HN 0.490 nan 8.310 nan 0.000 0.440 372 I N 1.490 122.192 120.570 0.220 0.000 2.208 372 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 372 I C 2.635 179.003 176.117 0.418 0.000 1.097 372 I CA 1.258 62.716 61.300 0.264 0.000 1.363 372 I CB -0.422 37.651 38.000 0.122 0.000 1.051 372 I HN 0.411 nan 8.210 nan 0.000 0.413 373 A N -0.426 122.632 122.820 0.396 0.000 2.168 373 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 373 A C 2.124 179.835 177.584 0.213 0.000 1.152 373 A CA 1.085 53.409 52.037 0.478 0.000 0.716 373 A CB -0.302 18.988 19.000 0.482 0.000 0.794 373 A HN 0.513 nan 8.150 nan 0.000 0.465 374 Q N -1.010 118.813 119.800 0.038 0.000 2.373 374 Q HA 0.059 4.399 4.340 -0.000 0.000 0.210 374 Q C -0.347 175.488 176.000 -0.275 0.000 0.913 374 Q CA 0.400 56.068 55.803 -0.224 0.000 0.911 374 Q CB 0.296 28.733 28.738 -0.503 0.000 1.040 374 Q HN 0.695 nan 8.270 nan 0.000 0.521 375 H N -0.522 118.679 119.070 0.219 0.000 2.587 375 H HA 0.230 4.786 4.556 -0.000 0.000 0.325 375 H C -1.524 174.002 175.328 0.330 0.000 1.012 375 H CA -0.764 55.401 56.048 0.196 0.000 1.213 375 H CB 0.627 30.489 29.762 0.167 0.000 1.431 375 H HN 0.023 nan 8.280 nan 0.000 0.492 376 F N 2.238 122.184 119.950 -0.007 0.000 2.436 376 F HA 0.595 5.121 4.527 -0.000 0.000 0.340 376 F C -0.133 175.510 175.800 -0.262 0.000 1.113 376 F CA -0.440 57.248 58.000 -0.519 0.000 1.022 376 F CB 1.584 40.060 39.000 -0.874 0.000 1.128 376 F HN 0.567 nan 8.300 nan 0.000 0.466 377 G N 2.800 110.950 108.800 -1.083 0.000 2.733 377 G HA2 0.429 4.389 3.960 -0.000 0.000 0.289 377 G HA3 0.429 4.389 3.960 -0.000 0.000 0.289 377 G C -1.658 172.832 174.900 -0.683 0.000 1.473 377 G CA -0.680 44.049 45.100 -0.618 0.000 1.123 377 G HN 0.691 nan 8.290 nan 0.000 0.544 378 S N 1.828 117.204 115.700 -0.540 0.000 2.204 378 S HA 0.568 5.038 4.470 -0.000 0.000 0.147 378 S C 1.137 175.658 174.600 -0.132 0.000 1.711 378 S CA 0.882 58.911 58.200 -0.285 0.000 1.274 378 S CB -0.592 62.522 63.200 -0.144 0.000 1.257 378 S HN 2.374 nan 8.310 nan 0.000 0.404 379 G N 3.084 111.821 108.800 -0.104 0.000 2.609 379 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.288 379 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.288 379 G C 1.180 176.070 174.900 -0.017 0.000 1.211 379 G CA 0.217 45.290 45.100 -0.045 0.000 0.963 379 G HN 1.419 nan 8.290 nan 0.000 0.541 380 A N 0.294 123.122 122.820 0.012 0.000 1.930 380 A HA 0.430 4.750 4.320 -0.000 0.000 0.215 380 A C 1.658 179.261 177.584 0.031 0.000 1.176 380 A CA 1.936 53.987 52.037 0.024 0.000 0.632 380 A CB -0.367 18.655 19.000 0.038 0.000 0.819 380 A HN 0.784 nan 8.150 nan 0.000 0.445 381 M N 0.493 120.125 119.600 0.052 0.000 2.252 381 M HA 0.328 4.808 4.480 -0.000 0.000 0.348 381 M C -1.035 175.315 176.300 0.083 0.000 1.334 381 M CA 0.927 56.285 55.300 0.097 0.000 1.071 381 M CB -0.460 32.256 32.600 0.194 0.000 1.763 381 M HN 0.189 nan 8.290 nan 0.000 0.452 382 L N 3.797 125.087 121.223 0.112 0.000 2.555 382 L HA 0.339 4.679 4.340 -0.000 0.000 0.264 382 L C -1.054 175.905 176.870 0.148 0.000 0.972 382 L CA -0.418 54.482 54.840 0.101 0.000 0.876 382 L CB 1.480 43.558 42.059 0.032 0.000 1.216 382 L HN 0.737 nan 8.230 nan 0.000 0.415 383 H N 1.553 120.667 119.070 0.072 0.000 2.589 383 H HA 0.566 5.122 4.556 -0.000 0.000 0.351 383 H C -1.412 173.878 175.328 -0.064 0.000 1.074 383 H CA -0.280 55.727 56.048 -0.067 0.000 1.203 383 H CB 1.662 31.261 29.762 -0.271 0.000 1.558 383 H HN 0.406 nan 8.280 nan 0.000 0.522 384 D N 2.975 123.034 120.400 -0.567 0.000 2.272 384 D HA 0.453 5.093 4.640 -0.000 0.000 0.247 384 D C -0.743 175.228 176.300 -0.549 0.000 0.990 384 D CA -0.482 53.299 54.000 -0.366 0.000 0.931 384 D CB 2.355 43.092 40.800 -0.105 0.000 1.195 384 D HN 0.266 nan 8.370 nan 0.000 0.477 385 V N 1.450 121.191 119.914 -0.287 0.000 2.509 385 V HA 0.226 4.346 4.120 -0.000 0.000 0.289 385 V C -0.705 175.317 176.094 -0.121 0.000 1.026 385 V CA -0.709 61.479 62.300 -0.188 0.000 0.872 385 V CB 1.857 33.615 31.823 -0.107 0.000 1.017 385 V HN 0.287 nan 8.190 nan 0.000 0.436 386 V N 5.611 125.467 119.914 -0.097 0.000 2.326 386 V HA 0.469 4.588 4.120 -0.000 0.000 0.281 386 V C 0.247 176.315 176.094 -0.043 0.000 1.015 386 V CA -0.501 61.758 62.300 -0.068 0.000 0.823 386 V CB 1.483 33.272 31.823 -0.058 0.000 1.009 386 V HN 0.696 nan 8.190 nan 0.000 0.436 387 M N 2.911 122.494 119.600 -0.028 0.000 2.241 387 M HA 0.540 5.020 4.480 -0.000 0.000 0.335 387 M C 1.096 177.382 176.300 -0.024 0.000 1.122 387 M CA 0.993 56.279 55.300 -0.023 0.000 1.164 387 M CB 0.595 33.190 32.600 -0.010 0.000 1.459 387 M HN 0.946 nan 8.290 nan 0.000 0.461 388 G N 0.843 109.623 108.800 -0.033 0.000 2.598 388 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.244 388 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.244 388 G C -0.276 174.610 174.900 -0.024 0.000 1.302 388 G CA -0.261 44.822 45.100 -0.029 0.000 0.903 388 G HN 1.205 nan 8.290 nan 0.000 0.575 389 V N -0.928 118.976 119.914 -0.015 0.000 2.843 389 V HA 0.487 4.607 4.120 -0.000 0.000 0.305 389 V C 0.119 176.206 176.094 -0.011 0.000 1.065 389 V CA 0.147 62.440 62.300 -0.013 0.000 1.116 389 V CB 1.027 32.846 31.823 -0.007 0.000 0.968 389 V HN 0.837 nan 8.190 nan 0.000 0.487 390 P HA -0.160 nan 4.420 nan 0.000 0.218 390 P C 1.055 178.354 177.300 -0.002 0.000 1.148 390 P CA 1.559 64.653 63.100 -0.010 0.000 0.822 390 P CB 0.270 31.963 31.700 -0.011 0.000 0.784 391 E N -0.207 119.993 120.200 -0.002 0.000 2.396 391 E HA -0.124 4.226 4.350 -0.000 0.000 0.200 391 E C 1.683 178.289 176.600 0.010 0.000 1.023 391 E CA 0.567 56.968 56.400 0.002 0.000 0.857 391 E CB -0.986 28.713 29.700 -0.002 0.000 0.775 391 E HN 0.296 nan 8.360 nan 0.000 0.525 392 N N 0.093 118.799 118.700 0.009 0.000 2.381 392 N HA -0.073 4.667 4.740 -0.000 0.000 0.182 392 N C 0.315 175.834 175.510 0.015 0.000 1.025 392 N CA 0.202 53.261 53.050 0.015 0.000 0.888 392 N CB -0.069 38.422 38.487 0.008 0.000 0.965 392 N HN 0.101 nan 8.380 nan 0.000 0.438 393 V N 2.162 122.086 119.914 0.017 0.000 2.617 393 V HA -0.005 4.115 4.120 -0.000 0.000 0.304 393 V C 0.162 176.303 176.094 0.078 0.000 1.040 393 V CA 0.148 62.472 62.300 0.039 0.000 1.149 393 V CB -0.075 31.792 31.823 0.073 0.000 0.914 393 V HN 0.023 nan 8.190 nan 0.000 0.487 394 L N 5.506 126.801 121.223 0.119 0.000 2.347 394 L HA 0.570 4.910 4.340 -0.000 0.000 0.268 394 L C -0.053 176.949 176.870 0.220 0.000 1.019 394 L CA -1.094 53.821 54.840 0.125 0.000 0.806 394 L CB 1.073 43.176 42.059 0.073 0.000 1.339 394 L HN 0.437 nan 8.230 nan 0.000 0.463 395 Q N 1.796 121.663 119.800 0.111 0.000 2.327 395 Q HA 0.286 4.626 4.340 -0.000 0.000 0.254 395 Q C -2.256 173.819 176.000 0.124 0.000 0.952 395 Q CA -1.706 54.141 55.803 0.074 0.000 0.884 395 Q CB 0.829 29.585 28.738 0.031 0.000 1.224 395 Q HN 0.250 nan 8.270 nan 0.000 0.422 396 P HA 0.041 nan 4.420 nan 0.000 0.272 396 P C -0.441 176.968 177.300 0.181 0.000 1.230 396 P CA -0.110 63.071 63.100 0.135 0.000 0.788 396 P CB 0.883 32.550 31.700 -0.055 0.000 0.949 397 T N 0.006 114.706 114.554 0.243 0.000 2.876 397 T HA 0.185 4.535 4.350 -0.000 0.000 0.289 397 T C -0.712 174.178 174.700 0.316 0.000 1.014 397 T CA -0.520 61.764 62.100 0.307 0.000 0.986 397 T CB 0.339 69.425 68.868 0.364 0.000 1.021 397 T HN 0.388 nan 8.240 nan 0.000 0.458 398 H N 6.183 125.417 119.070 0.273 0.000 2.899 398 H HA 0.225 4.781 4.556 -0.000 0.000 0.303 398 H C -1.555 173.977 175.328 0.339 0.000 1.042 398 H CA -1.682 54.537 56.048 0.285 0.000 1.479 398 H CB 1.755 31.717 29.762 0.333 0.000 1.493 398 H HN 0.443 nan 8.280 nan 0.000 0.534 399 P HA -0.132 nan 4.420 nan 0.000 0.226 399 P C 1.118 178.738 177.300 0.533 0.000 1.146 399 P CA 0.569 63.872 63.100 0.337 0.000 0.773 399 P CB 0.630 32.347 31.700 0.027 0.000 0.772 400 V N -1.890 118.422 119.914 0.664 0.000 2.581 400 V HA -0.068 4.052 4.120 -0.000 0.000 0.240 400 V C 2.168 178.440 176.094 0.296 0.000 1.054 400 V CA 1.357 63.840 62.300 0.304 0.000 1.076 400 V CB -0.953 30.844 31.823 -0.042 0.000 0.748 400 V HN -0.048 nan 8.190 nan 0.000 0.474 401 Y N -0.622 119.954 120.300 0.460 0.000 2.503 401 Y HA 0.284 4.834 4.550 -0.000 0.000 0.277 401 Y C 1.394 177.517 175.900 0.372 0.000 1.102 401 Y CA 0.297 58.618 58.100 0.369 0.000 1.261 401 Y CB 0.072 38.559 38.460 0.046 0.000 1.096 401 Y HN 0.359 nan 8.280 nan 0.000 0.546 402 N N 0.639 119.637 118.700 0.498 0.000 2.814 402 N HA -0.175 4.565 4.740 -0.000 0.000 0.247 402 N C -0.958 174.464 175.510 -0.147 0.000 1.089 402 N CA 0.848 54.016 53.050 0.197 0.000 0.682 402 N CB -1.494 36.981 38.487 -0.021 0.000 0.970 402 N HN 0.619 nan 8.380 nan 0.000 0.554 403 I N -4.126 116.523 120.570 0.131 0.000 3.095 403 I HA 0.751 4.920 4.170 -0.000 0.000 0.310 403 I C 0.976 177.259 176.117 0.278 0.000 1.196 403 I CA -0.951 60.432 61.300 0.140 0.000 0.985 403 I CB 1.540 39.593 38.000 0.089 0.000 1.250 403 I HN 0.021 nan 8.210 nan 0.000 0.446 404 G N 2.684 111.637 108.800 0.256 0.000 2.224 404 G HA2 0.216 4.176 3.960 -0.000 0.000 0.239 404 G HA3 0.216 4.176 3.960 -0.000 0.000 0.239 404 G C -1.949 173.071 174.900 0.200 0.000 1.240 404 G CA -0.548 44.675 45.100 0.205 0.000 0.896 404 G HN 0.624 nan 8.290 nan 0.000 0.496 405 P HA -0.138 nan 4.420 nan 0.000 0.217 405 P C 1.601 179.002 177.300 0.168 0.000 1.148 405 P CA 1.569 64.822 63.100 0.254 0.000 0.828 405 P CB 0.190 31.995 31.700 0.175 0.000 0.783 406 D N -0.459 120.009 120.400 0.115 0.000 2.117 406 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 406 D C 1.422 177.766 176.300 0.073 0.000 0.982 406 D CA 1.145 55.193 54.000 0.080 0.000 0.828 406 D CB -0.577 40.258 40.800 0.059 0.000 0.967 406 D HN 0.095 nan 8.370 nan 0.000 0.464 407 K N 0.911 121.357 120.400 0.077 0.000 2.097 407 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 407 K C 2.511 179.129 176.600 0.030 0.000 1.049 407 K CA 0.298 56.625 56.287 0.065 0.000 0.933 407 K CB -0.689 31.851 32.500 0.065 0.000 0.717 407 K HN 0.189 nan 8.250 nan 0.000 0.442 408 V N 1.965 121.875 119.914 -0.006 0.000 2.261 408 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 408 V C 2.406 178.460 176.094 -0.067 0.000 1.047 408 V CA 1.555 63.771 62.300 -0.141 0.000 1.015 408 V CB -0.423 31.294 31.823 -0.177 0.000 0.642 408 V HN 0.162 nan 8.190 nan 0.000 0.446 409 I N -0.293 120.289 120.570 0.020 0.000 2.127 409 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 409 I C 2.691 178.823 176.117 0.026 0.000 1.075 409 I CA 2.130 63.450 61.300 0.034 0.000 1.334 409 I CB -0.513 37.521 38.000 0.058 0.000 1.040 409 I HN 0.397 nan 8.210 nan 0.000 0.405 410 Q N 1.050 120.878 119.800 0.046 0.000 2.030 410 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 410 Q C 2.333 178.359 176.000 0.043 0.000 0.986 410 Q CA 2.346 58.189 55.803 0.067 0.000 0.843 410 Q CB -0.156 28.647 28.738 0.108 0.000 0.904 410 Q HN 0.547 nan 8.270 nan 0.000 0.420 411 A N 0.419 123.278 122.820 0.065 0.000 1.851 411 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 411 A C 2.333 179.913 177.584 -0.007 0.000 1.195 411 A CA 2.660 54.693 52.037 -0.006 0.000 0.622 411 A CB -1.547 17.524 19.000 0.119 0.000 0.831 411 A HN 0.719 nan 8.150 nan 0.000 0.444 412 T N -3.196 111.363 114.554 0.008 0.000 2.720 412 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 412 T C 1.766 176.472 174.700 0.009 0.000 1.037 412 T CA 2.155 64.274 62.100 0.032 0.000 1.144 412 T CB -1.200 67.663 68.868 -0.009 0.000 0.864 412 T HN 0.326 nan 8.240 nan 0.000 0.444 413 T N 0.715 115.259 114.554 -0.017 0.000 2.881 413 T HA -0.105 4.244 4.350 -0.000 0.000 0.270 413 T C 1.691 176.338 174.700 -0.089 0.000 1.068 413 T CA 1.693 63.774 62.100 -0.032 0.000 1.131 413 T CB -0.480 68.381 68.868 -0.010 0.000 0.871 413 T HN 0.781 nan 8.240 nan 0.000 0.479 414 H N -0.084 118.811 119.070 -0.291 0.000 2.372 414 H HA 0.117 4.673 4.556 -0.000 0.000 0.301 414 H C 1.547 176.566 175.328 -0.515 0.000 1.065 414 H CA 1.311 57.061 56.048 -0.497 0.000 1.364 414 H CB -0.354 28.822 29.762 -0.976 0.000 1.406 414 H HN 0.400 nan 8.280 nan 0.000 0.521 415 F N -0.221 119.556 119.950 -0.288 0.000 2.615 415 F HA 0.064 4.591 4.527 -0.000 0.000 0.297 415 F C 1.930 177.620 175.800 -0.184 0.000 1.124 415 F CA 0.177 58.025 58.000 -0.253 0.000 1.451 415 F CB 0.116 39.033 39.000 -0.138 0.000 1.103 415 F HN 0.142 nan 8.300 nan 0.000 0.569 416 L N 0.346 121.558 121.223 -0.019 0.000 2.376 416 L HA -0.141 4.199 4.340 -0.000 0.000 0.219 416 L C 2.195 179.020 176.870 -0.074 0.000 1.133 416 L CA 0.782 55.609 54.840 -0.022 0.000 0.816 416 L CB -0.431 41.619 42.059 -0.016 0.000 0.933 416 L HN 0.302 nan 8.230 nan 0.000 0.449 417 Q N -0.468 119.242 119.800 -0.149 0.000 2.247 417 Q HA 0.082 4.422 4.340 -0.000 0.000 0.205 417 Q C -0.246 175.651 176.000 -0.171 0.000 0.896 417 Q CA 0.048 55.753 55.803 -0.164 0.000 0.950 417 Q CB 0.398 29.012 28.738 -0.205 0.000 1.054 417 Q HN 0.111 nan 8.270 nan 0.000 0.482 418 K N 2.270 122.592 120.400 -0.130 0.000 2.318 418 K HA 0.493 4.813 4.320 -0.000 0.000 0.249 418 K C -2.722 173.846 176.600 -0.054 0.000 0.942 418 K CA -2.215 54.022 56.287 -0.084 0.000 0.808 418 K CB 1.843 34.334 32.500 -0.016 0.000 1.189 418 K HN 0.028 nan 8.250 nan 0.000 0.428 419 P HA 0.135 nan 4.420 nan 0.000 0.280 419 P C -0.083 177.252 177.300 0.057 0.000 1.244 419 P CA -0.501 62.540 63.100 -0.098 0.000 0.784 419 P CB 0.746 32.224 31.700 -0.369 0.000 0.913 420 V N 6.278 126.239 119.914 0.078 0.000 2.434 420 V HA -0.023 4.097 4.120 -0.000 0.000 0.281 420 V C -1.744 174.468 176.094 0.197 0.000 1.005 420 V CA -0.677 61.693 62.300 0.117 0.000 1.089 420 V CB -0.837 31.047 31.823 0.101 0.000 0.978 420 V HN 0.583 nan 8.190 nan 0.000 0.474 421 P HA -0.065 nan 4.420 nan 0.000 0.252 421 P C 1.020 178.406 177.300 0.143 0.000 1.126 421 P CA 1.950 65.147 63.100 0.163 0.000 0.777 421 P CB -0.208 31.555 31.700 0.105 0.000 0.711 422 G N 2.487 111.350 108.800 0.105 0.000 2.313 422 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 422 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 422 G C 0.320 175.213 174.900 -0.011 0.000 1.023 422 G CA -0.165 44.887 45.100 -0.080 0.000 0.626 422 G HN 0.570 nan 8.290 nan 0.000 0.503 423 F N 0.000 119.960 119.950 0.017 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.009 58.000 0.015 0.000 1.383 423 F CB 0.000 39.005 39.000 0.009 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574