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 2min_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.212 58.200 0.021 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 3 Q N 1.193 121.000 119.800 0.011 0.000 2.372 3 Q HA 0.451 4.793 4.340 0.003 0.000 0.273 3 Q C -1.243 174.753 176.000 -0.007 0.000 1.078 3 Q CA -0.577 55.224 55.803 -0.003 0.000 0.806 3 Q CB 2.323 31.058 28.738 -0.005 0.000 1.332 3 Q HN 0.676 nan 8.270 nan 0.000 0.435 4 Q N 1.135 120.927 119.800 -0.013 0.000 2.303 4 Q HA 0.200 4.542 4.340 0.003 0.000 0.257 4 Q C 0.922 176.915 176.000 -0.012 0.000 0.941 4 Q CA -0.255 55.541 55.803 -0.012 0.000 0.931 4 Q CB 2.174 30.903 28.738 -0.015 0.000 1.215 4 Q HN 0.460 nan 8.270 nan 0.000 0.437 5 V N 3.237 123.146 119.914 -0.009 0.000 2.568 5 V HA -0.237 3.885 4.120 0.003 0.000 0.253 5 V C 0.779 176.868 176.094 -0.009 0.000 1.072 5 V CA 2.090 64.386 62.300 -0.008 0.000 1.084 5 V CB 0.031 31.852 31.823 -0.004 0.000 0.676 5 V HN 0.777 nan 8.190 nan 0.000 0.469 6 D N 0.365 120.759 120.400 -0.009 0.000 2.349 6 D HA 0.064 4.706 4.640 0.003 0.000 0.215 6 D C 0.680 176.973 176.300 -0.013 0.000 1.016 6 D CA 0.414 54.408 54.000 -0.009 0.000 0.870 6 D CB 0.102 40.898 40.800 -0.007 0.000 0.917 6 D HN 0.719 nan 8.370 nan 0.000 0.524 7 K N 0.649 121.039 120.400 -0.018 0.000 2.865 7 K HA 0.261 4.583 4.320 0.003 0.000 0.215 7 K C -0.670 175.910 176.600 -0.033 0.000 1.120 7 K CA -0.577 55.695 56.287 -0.024 0.000 1.037 7 K CB 1.014 33.498 32.500 -0.026 0.000 1.233 7 K HN -0.288 nan 8.250 nan 0.000 0.577 8 I N 2.679 123.230 120.570 -0.032 0.000 2.556 8 I HA 0.071 4.243 4.170 0.003 0.000 0.284 8 I C 0.227 176.307 176.117 -0.061 0.000 1.114 8 I CA 0.011 61.287 61.300 -0.040 0.000 1.418 8 I CB 0.357 38.339 38.000 -0.029 0.000 1.394 8 I HN 0.554 nan 8.210 nan 0.000 0.552 9 K N 5.369 125.715 120.400 -0.089 0.000 2.213 9 K HA 0.628 4.949 4.320 0.003 0.000 0.270 9 K C 0.056 176.561 176.600 -0.158 0.000 1.002 9 K CA -0.519 55.688 56.287 -0.134 0.000 0.868 9 K CB 1.833 34.226 32.500 -0.178 0.000 1.093 9 K HN 0.717 nan 8.250 nan 0.000 0.454 10 A N 1.541 124.283 122.820 -0.131 0.000 2.251 10 A HA 0.100 4.422 4.320 0.003 0.000 0.278 10 A C 1.550 179.009 177.584 -0.208 0.000 1.206 10 A CA 0.247 52.214 52.037 -0.118 0.000 0.822 10 A CB 0.010 18.989 19.000 -0.034 0.000 1.187 10 A HN 0.863 nan 8.150 nan 0.000 0.504 11 S N -1.356 114.254 115.700 -0.150 0.000 2.380 11 S HA -0.226 4.245 4.470 0.003 0.000 0.229 11 S C 0.629 175.157 174.600 -0.120 0.000 1.043 11 S CA 1.851 59.933 58.200 -0.197 0.000 1.038 11 S CB -0.631 62.688 63.200 0.199 0.000 0.872 11 S HN 0.891 nan 8.310 nan 0.000 0.456 12 Y N 4.569 124.828 120.300 -0.068 0.000 2.335 12 Y HA 0.514 5.066 4.550 0.002 0.000 0.339 12 Y C -2.282 173.574 175.900 -0.074 0.000 0.987 12 Y CA -2.512 55.563 58.100 -0.041 0.000 1.140 12 Y CB 1.851 40.315 38.460 0.008 0.000 1.173 12 Y HN 0.025 nan 8.280 nan 0.000 0.486 13 P HA -0.008 nan 4.420 nan 0.000 0.266 13 P C 1.178 178.236 177.300 -0.403 0.000 1.381 13 P CA 0.151 62.786 63.100 -0.774 0.000 0.940 13 P CB 0.458 31.654 31.700 -0.840 0.000 1.435 14 L N 0.308 121.267 121.223 -0.441 0.000 2.021 14 L HA -0.157 4.184 4.340 0.003 0.000 0.215 14 L C 1.624 178.200 176.870 -0.491 0.000 1.074 14 L CA 2.149 56.682 54.840 -0.513 0.000 0.760 14 L CB -1.420 40.150 42.059 -0.816 0.000 0.889 14 L HN -0.167 nan 8.230 nan 0.000 0.433 15 F N -0.864 118.944 119.950 -0.236 0.000 2.816 15 F HA 0.074 4.602 4.527 0.003 0.000 0.302 15 F C 1.803 177.593 175.800 -0.015 0.000 1.178 15 F CA 0.255 58.114 58.000 -0.233 0.000 1.421 15 F CB -0.749 38.112 39.000 -0.231 0.000 1.114 15 F HN 0.076 nan 8.300 nan 0.000 0.573 16 L N -1.304 119.977 121.223 0.097 0.000 2.529 16 L HA 0.075 4.417 4.340 0.003 0.000 0.223 16 L C 0.355 177.287 176.870 0.104 0.000 1.113 16 L CA -0.027 54.871 54.840 0.097 0.000 0.861 16 L CB -0.299 41.779 42.059 0.031 0.000 1.012 16 L HN -0.163 nan 8.230 nan 0.000 0.461 17 D N 0.626 121.102 120.400 0.127 0.000 2.488 17 D HA -0.081 4.560 4.640 0.003 0.000 0.238 17 D C 0.998 177.395 176.300 0.162 0.000 1.138 17 D CA 0.335 54.418 54.000 0.138 0.000 0.873 17 D CB 1.222 42.135 40.800 0.188 0.000 1.183 17 D HN -0.046 nan 8.370 nan 0.000 0.458 18 Q N 2.120 121.974 119.800 0.090 0.000 2.096 18 Q HA -0.227 4.115 4.340 0.003 0.000 0.208 18 Q C 1.264 177.301 176.000 0.061 0.000 0.993 18 Q CA 2.190 58.034 55.803 0.068 0.000 0.862 18 Q CB -0.122 28.637 28.738 0.036 0.000 0.915 18 Q HN 0.628 nan 8.270 nan 0.000 0.416 19 D N -1.456 118.955 120.400 0.018 0.000 2.178 19 D HA -0.211 4.430 4.640 0.003 0.000 0.201 19 D C 1.474 177.744 176.300 -0.050 0.000 0.980 19 D CA 1.366 55.333 54.000 -0.056 0.000 0.842 19 D CB -0.806 39.903 40.800 -0.152 0.000 0.948 19 D HN 0.400 nan 8.370 nan 0.000 0.472 20 Y N 0.857 121.212 120.300 0.091 0.000 2.286 20 Y HA 0.044 4.596 4.550 0.003 0.000 0.293 20 Y C 2.613 178.573 175.900 0.101 0.000 1.124 20 Y CA 0.914 59.094 58.100 0.134 0.000 1.178 20 Y CB -0.311 38.304 38.460 0.257 0.000 1.010 20 Y HN -0.060 nan 8.280 nan 0.000 0.536 21 K N 0.367 120.917 120.400 0.251 0.000 2.032 21 K HA -0.207 4.115 4.320 0.003 0.000 0.209 21 K C 1.445 178.110 176.600 0.107 0.000 1.048 21 K CA 2.116 58.497 56.287 0.157 0.000 0.927 21 K CB -0.154 32.420 32.500 0.123 0.000 0.712 21 K HN 0.149 nan 8.250 nan 0.000 0.441 22 D N 0.493 120.943 120.400 0.085 0.000 2.097 22 D HA -0.209 4.433 4.640 0.003 0.000 0.195 22 D C 1.817 178.151 176.300 0.056 0.000 0.989 22 D CA 1.311 55.343 54.000 0.053 0.000 0.827 22 D CB -0.180 40.639 40.800 0.031 0.000 0.966 22 D HN 0.304 nan 8.370 nan 0.000 0.456 23 M N 0.036 119.676 119.600 0.067 0.000 2.149 23 M HA -0.153 4.328 4.480 0.003 0.000 0.261 23 M C 1.798 178.153 176.300 0.091 0.000 1.064 23 M CA 1.283 56.628 55.300 0.075 0.000 1.102 23 M CB 0.007 32.655 32.600 0.080 0.000 1.369 23 M HN 0.009 nan 8.290 nan 0.000 0.408 24 L N -0.254 121.030 121.223 0.101 0.000 2.179 24 L HA -0.047 4.295 4.340 0.003 0.000 0.208 24 L C 2.703 179.608 176.870 0.058 0.000 1.096 24 L CA 0.730 55.614 54.840 0.075 0.000 0.779 24 L CB -0.741 41.358 42.059 0.066 0.000 0.922 24 L HN 0.362 nan 8.230 nan 0.000 0.443 25 A N 0.088 122.940 122.820 0.053 0.000 1.933 25 A HA -0.239 4.083 4.320 0.003 0.000 0.218 25 A C 2.351 179.945 177.584 0.016 0.000 1.175 25 A CA 1.764 53.821 52.037 0.032 0.000 0.628 25 A CB -0.295 18.723 19.000 0.029 0.000 0.814 25 A HN 0.286 nan 8.150 nan 0.000 0.444 26 K N -0.228 120.187 120.400 0.026 0.000 2.116 26 K HA -0.070 4.252 4.320 0.003 0.000 0.203 26 K C 2.131 178.742 176.600 0.019 0.000 1.052 26 K CA 1.343 57.634 56.287 0.007 0.000 0.952 26 K CB -0.115 32.405 32.500 0.033 0.000 0.729 26 K HN 0.443 nan 8.250 nan 0.000 0.446 27 K N 0.931 121.390 120.400 0.098 0.000 2.026 27 K HA -0.184 4.138 4.320 0.003 0.000 0.208 27 K C 2.281 178.958 176.600 0.129 0.000 1.048 27 K CA 1.169 57.577 56.287 0.202 0.000 0.929 27 K CB -0.128 32.466 32.500 0.155 0.000 0.713 27 K HN 0.014 nan 8.250 nan 0.000 0.439 28 R N 0.868 121.400 120.500 0.053 0.000 2.082 28 R HA -0.179 4.162 4.340 0.003 0.000 0.234 28 R C 1.491 177.767 176.300 -0.040 0.000 1.136 28 R CA 2.354 58.466 56.100 0.020 0.000 0.935 28 R CB -0.562 29.748 30.300 0.017 0.000 0.842 28 R HN 0.285 nan 8.270 nan 0.000 0.430 29 D N -0.792 119.562 120.400 -0.076 0.000 2.144 29 D HA -0.101 4.540 4.640 0.003 0.000 0.199 29 D C 1.730 177.879 176.300 -0.251 0.000 0.984 29 D CA 1.616 55.540 54.000 -0.126 0.000 0.834 29 D CB -0.465 40.272 40.800 -0.104 0.000 0.955 29 D HN 0.563 nan 8.370 nan 0.000 0.465 30 G N -0.935 107.591 108.800 -0.457 0.000 2.408 30 G HA2 -0.105 3.857 3.960 0.003 0.000 0.215 30 G HA3 -0.105 3.857 3.960 0.003 0.000 0.215 30 G C 0.980 175.284 174.900 -0.993 0.000 1.156 30 G CA 0.258 44.782 45.100 -0.959 0.000 0.793 30 G HN 0.231 nan 8.290 nan 0.000 0.535 31 F N -0.489 119.453 119.950 -0.014 0.000 2.834 31 F HA 0.360 4.889 4.527 0.003 0.000 0.332 31 F C 2.118 177.905 175.800 -0.021 0.000 1.056 31 F CA -0.378 57.612 58.000 -0.017 0.000 1.178 31 F CB 0.403 39.395 39.000 -0.013 0.000 1.037 31 F HN 0.053 nan 8.300 nan 0.000 0.580 32 E N 0.948 121.208 120.200 0.099 0.000 2.358 32 E HA -0.067 4.284 4.350 0.003 0.000 0.195 32 E C -0.000 176.603 176.600 0.006 0.000 1.010 32 E CA 0.499 56.934 56.400 0.059 0.000 0.856 32 E CB -0.171 29.558 29.700 0.048 0.000 0.795 32 E HN 0.333 nan 8.360 nan 0.000 0.504 33 E N 1.304 121.486 120.200 -0.031 0.000 2.269 33 E HA -0.242 4.110 4.350 0.003 0.000 0.223 33 E C -0.116 176.414 176.600 -0.116 0.000 1.244 33 E CA 0.347 56.699 56.400 -0.079 0.000 0.713 33 E CB -1.209 28.444 29.700 -0.078 0.000 1.178 33 E HN 0.175 nan 8.360 nan 0.000 0.370 34 K N 0.920 121.280 120.400 -0.067 0.000 2.295 34 K HA 0.138 4.459 4.320 0.003 0.000 0.270 34 K C -0.222 176.347 176.600 -0.051 0.000 1.011 34 K CA -0.327 55.944 56.287 -0.026 0.000 0.953 34 K CB 0.435 32.951 32.500 0.026 0.000 0.956 34 K HN -0.007 nan 8.250 nan 0.000 0.477 35 Y N 3.670 123.975 120.300 0.009 0.000 2.702 35 Y HA -0.016 4.535 4.550 0.003 0.000 0.336 35 Y C -1.446 174.461 175.900 0.011 0.000 1.235 35 Y CA -1.044 57.062 58.100 0.011 0.000 1.492 35 Y CB 0.030 38.501 38.460 0.018 0.000 1.308 35 Y HN 0.555 nan 8.280 nan 0.000 0.589 36 P HA -0.074 nan 4.420 nan 0.000 0.268 36 P C -0.098 177.268 177.300 0.110 0.000 1.205 36 P CA -0.129 63.033 63.100 0.103 0.000 0.771 36 P CB 1.143 32.889 31.700 0.077 0.000 0.858 37 Q N 2.624 122.470 119.800 0.077 0.000 2.152 37 Q HA -0.223 4.119 4.340 0.003 0.000 0.206 37 Q C 1.534 177.575 176.000 0.068 0.000 0.985 37 Q CA 2.419 58.265 55.803 0.070 0.000 0.863 37 Q CB -0.696 28.074 28.738 0.054 0.000 0.904 37 Q HN 0.532 nan 8.270 nan 0.000 0.422 38 D N -0.837 119.598 120.400 0.059 0.000 2.144 38 D HA -0.209 4.432 4.640 0.003 0.000 0.199 38 D C 1.604 177.936 176.300 0.054 0.000 0.984 38 D CA 1.362 55.392 54.000 0.050 0.000 0.834 38 D CB -0.197 40.627 40.800 0.040 0.000 0.955 38 D HN 0.152 nan 8.370 nan 0.000 0.465 39 K N 1.273 121.712 120.400 0.065 0.000 2.062 39 K HA 0.001 4.323 4.320 0.003 0.000 0.205 39 K C 2.300 178.918 176.600 0.030 0.000 1.051 39 K CA 0.594 56.908 56.287 0.046 0.000 0.941 39 K CB -0.502 32.049 32.500 0.085 0.000 0.719 39 K HN 0.158 nan 8.250 nan 0.000 0.440 40 I N 1.181 121.786 120.570 0.058 0.000 2.208 40 I HA -0.307 3.865 4.170 0.003 0.000 0.245 40 I C 1.432 177.622 176.117 0.122 0.000 1.097 40 I CA 1.537 62.879 61.300 0.070 0.000 1.363 40 I CB -0.321 37.729 38.000 0.084 0.000 1.051 40 I HN 0.242 nan 8.210 nan 0.000 0.413 41 D N 0.321 120.791 120.400 0.116 0.000 2.117 41 D HA -0.207 4.435 4.640 0.003 0.000 0.198 41 D C 1.997 178.385 176.300 0.147 0.000 0.982 41 D CA 1.006 55.094 54.000 0.148 0.000 0.828 41 D CB -0.300 40.553 40.800 0.087 0.000 0.967 41 D HN 0.416 nan 8.370 nan 0.000 0.464 42 E N 0.768 121.019 120.200 0.086 0.000 2.058 42 E HA -0.149 4.202 4.350 0.003 0.000 0.194 42 E C 2.084 178.733 176.600 0.082 0.000 0.997 42 E CA 0.926 57.361 56.400 0.059 0.000 0.801 42 E CB 0.168 29.880 29.700 0.019 0.000 0.746 42 E HN 0.019 nan 8.360 nan 0.000 0.450 43 V N 0.957 120.923 119.914 0.086 0.000 2.427 43 V HA -0.206 3.916 4.120 0.003 0.000 0.248 43 V C 2.115 178.280 176.094 0.118 0.000 1.051 43 V CA 1.704 64.087 62.300 0.138 0.000 1.048 43 V CB -0.678 31.191 31.823 0.076 0.000 0.666 43 V HN 0.328 nan 8.190 nan 0.000 0.456 44 F N 1.182 121.131 119.950 -0.000 0.000 2.095 44 F HA -0.259 4.269 4.527 0.003 0.000 0.298 44 F C 2.491 178.184 175.800 -0.178 0.000 1.104 44 F CA 2.347 60.310 58.000 -0.062 0.000 1.232 44 F CB -0.329 38.693 39.000 0.037 0.000 0.987 44 F HN 0.113 nan 8.300 nan 0.000 0.475 45 Q N -0.369 119.329 119.800 -0.169 0.000 2.084 45 Q HA -0.230 4.112 4.340 0.003 0.000 0.202 45 Q C 1.923 177.719 176.000 -0.339 0.000 0.978 45 Q CA 2.171 57.785 55.803 -0.315 0.000 0.844 45 Q CB -1.013 27.676 28.738 -0.082 0.000 0.898 45 Q HN 0.643 nan 8.270 nan 0.000 0.426 46 W N 0.658 121.762 121.300 -0.328 0.000 2.338 46 W HA -0.182 4.480 4.660 0.003 0.000 0.304 46 W C 1.956 178.188 176.519 -0.478 0.000 1.212 46 W CA 2.750 59.925 57.345 -0.285 0.000 1.264 46 W CB -0.845 28.521 29.460 -0.157 0.000 1.142 46 W HN 0.289 nan 8.180 nan 0.000 0.512 47 T N -2.704 111.255 114.554 -0.992 0.000 3.098 47 T HA -0.146 4.206 4.350 0.003 0.000 0.266 47 T C 1.541 175.449 174.700 -1.319 0.000 1.145 47 T CA 1.691 62.746 62.100 -1.741 0.000 1.092 47 T CB -0.989 67.058 68.868 -1.369 0.000 0.908 47 T HN 0.296 nan 8.240 nan 0.000 0.526 48 T N -0.223 113.618 114.554 -1.187 0.000 3.065 48 T HA 0.123 4.475 4.350 0.003 0.000 0.252 48 T C 1.098 175.412 174.700 -0.643 0.000 1.099 48 T CA 0.320 61.658 62.100 -1.270 0.000 1.063 48 T CB -0.578 67.301 68.868 -1.648 0.000 0.948 48 T HN 0.628 nan 8.240 nan 0.000 0.506 49 T N 0.507 114.767 114.554 -0.490 0.000 2.828 49 T HA 0.319 4.670 4.350 0.003 0.000 0.290 49 T C 1.156 175.760 174.700 -0.160 0.000 1.019 49 T CA -0.510 61.432 62.100 -0.262 0.000 1.031 49 T CB 1.423 70.191 68.868 -0.167 0.000 1.001 49 T HN 0.415 nan 8.240 nan 0.000 0.531 50 K N 0.452 120.797 120.400 -0.091 0.000 2.288 50 K HA -0.071 4.251 4.320 0.003 0.000 0.201 50 K C 1.660 178.238 176.600 -0.036 0.000 1.048 50 K CA 0.873 57.124 56.287 -0.060 0.000 0.956 50 K CB -0.048 32.425 32.500 -0.045 0.000 0.746 50 K HN 0.605 nan 8.250 nan 0.000 0.461 51 E N 1.049 121.244 120.200 -0.007 0.000 2.047 51 E HA -0.241 4.110 4.350 0.003 0.000 0.191 51 E C 2.011 178.626 176.600 0.026 0.000 0.987 51 E CA 1.298 57.733 56.400 0.059 0.000 0.799 51 E CB -0.922 28.883 29.700 0.174 0.000 0.752 51 E HN 0.489 nan 8.360 nan 0.000 0.449 52 Y N 2.059 122.177 120.300 -0.304 0.000 2.165 52 Y HA -0.247 4.304 4.550 0.003 0.000 0.286 52 Y C 2.697 178.443 175.900 -0.257 0.000 1.155 52 Y CA 2.348 60.114 58.100 -0.557 0.000 1.164 52 Y CB -0.192 37.661 38.460 -1.011 0.000 0.978 52 Y HN 0.090 nan 8.280 nan 0.000 0.513 53 Q N 0.152 119.912 119.800 -0.066 0.000 2.096 53 Q HA -0.260 4.082 4.340 0.003 0.000 0.204 53 Q C 1.948 177.984 176.000 0.060 0.000 0.982 53 Q CA 2.182 57.992 55.803 0.012 0.000 0.850 53 Q CB -0.137 28.599 28.738 -0.003 0.000 0.901 53 Q HN 0.653 nan 8.270 nan 0.000 0.422 54 E N 0.148 120.346 120.200 -0.003 0.000 2.077 54 E HA -0.175 4.177 4.350 0.003 0.000 0.193 54 E C 2.069 178.696 176.600 0.044 0.000 0.989 54 E CA 1.270 57.686 56.400 0.027 0.000 0.800 54 E CB -0.049 29.657 29.700 0.009 0.000 0.746 54 E HN 0.396 nan 8.360 nan 0.000 0.452 55 L N 1.034 122.238 121.223 -0.032 0.000 2.109 55 L HA -0.142 4.199 4.340 0.003 0.000 0.207 55 L C 2.388 179.201 176.870 -0.096 0.000 1.086 55 L CA 0.643 55.452 54.840 -0.052 0.000 0.760 55 L CB -0.462 41.559 42.059 -0.063 0.000 0.910 55 L HN 0.165 nan 8.230 nan 0.000 0.437 56 N N 0.868 119.449 118.700 -0.199 0.000 2.084 56 N HA -0.211 4.531 4.740 0.003 0.000 0.190 56 N C 1.651 177.197 175.510 0.060 0.000 1.030 56 N CA 1.705 54.654 53.050 -0.169 0.000 0.849 56 N CB -0.261 38.081 38.487 -0.242 0.000 1.012 56 N HN 0.154 nan 8.380 nan 0.000 0.423 57 F N 0.946 120.929 119.950 0.054 0.000 2.699 57 F HA 0.104 4.632 4.527 0.003 0.000 0.298 57 F C 2.143 177.966 175.800 0.038 0.000 1.154 57 F CA 0.551 58.580 58.000 0.048 0.000 1.457 57 F CB -0.014 38.953 39.000 -0.054 0.000 1.106 57 F HN 0.183 nan 8.300 nan 0.000 0.585 58 Q N -0.398 119.492 119.800 0.151 0.000 2.451 58 Q HA 0.032 4.374 4.340 0.003 0.000 0.206 58 Q C 0.513 176.551 176.000 0.063 0.000 0.947 58 Q CA 0.013 55.870 55.803 0.091 0.000 0.937 58 Q CB 0.130 28.904 28.738 0.060 0.000 1.025 58 Q HN 0.254 nan 8.270 nan 0.000 0.511 59 R N 1.188 121.726 120.500 0.062 0.000 2.585 59 R HA -0.080 4.262 4.340 0.003 0.000 0.275 59 R C 0.989 177.317 176.300 0.047 0.000 1.018 59 R CA 0.686 56.806 56.100 0.032 0.000 1.072 59 R CB 0.318 30.615 30.300 -0.004 0.000 0.953 59 R HN 0.391 nan 8.270 nan 0.000 0.419 60 E N 1.914 122.130 120.200 0.028 0.000 2.467 60 E HA 0.089 4.441 4.350 0.003 0.000 0.213 60 E C 0.939 177.552 176.600 0.022 0.000 0.823 60 E CA 0.251 56.671 56.400 0.033 0.000 1.233 60 E CB 0.307 30.026 29.700 0.031 0.000 1.233 60 E HN 0.514 nan 8.360 nan 0.000 0.585 61 A N 1.165 123.989 122.820 0.006 0.000 1.973 61 A HA 0.265 4.587 4.320 0.003 0.000 0.210 61 A C 0.972 178.546 177.584 -0.017 0.000 1.200 61 A CA -0.029 52.006 52.037 -0.003 0.000 0.707 61 A CB 0.068 19.063 19.000 -0.009 0.000 0.862 61 A HN 0.221 nan 8.150 nan 0.000 0.461 62 L N 0.996 122.197 121.223 -0.036 0.000 2.292 62 L HA 0.521 4.863 4.340 0.003 0.000 0.284 62 L C -0.595 176.226 176.870 -0.082 0.000 1.065 62 L CA 0.457 55.256 54.840 -0.068 0.000 0.806 62 L CB 1.429 43.431 42.059 -0.095 0.000 1.175 62 L HN 0.075 nan 8.230 nan 0.000 0.431 63 T N 4.465 118.970 114.554 -0.081 0.000 2.823 63 T HA 0.682 5.034 4.350 0.003 0.000 0.279 63 T C -0.981 173.627 174.700 -0.155 0.000 0.998 63 T CA -0.392 61.657 62.100 -0.085 0.000 0.994 63 T CB 1.431 70.306 68.868 0.012 0.000 0.960 63 T HN 0.380 nan 8.240 nan 0.000 0.448 64 V N 4.473 124.261 119.914 -0.211 0.000 2.524 64 V HA 0.405 4.527 4.120 0.003 0.000 0.297 64 V C -0.543 175.433 176.094 -0.196 0.000 1.035 64 V CA -1.215 60.928 62.300 -0.261 0.000 0.867 64 V CB 1.381 32.949 31.823 -0.425 0.000 1.004 64 V HN 0.990 nan 8.190 nan 0.000 0.426 65 N N 3.061 121.641 118.700 -0.201 0.000 2.648 65 N HA -0.105 4.636 4.740 0.003 0.000 0.265 65 N C -2.249 173.144 175.510 -0.194 0.000 1.100 65 N CA 0.412 53.337 53.050 -0.209 0.000 0.715 65 N CB -0.743 37.666 38.487 -0.131 0.000 0.881 65 N HN 0.531 nan 8.380 nan 0.000 0.548 66 P HA 0.165 nan 4.420 nan 0.000 0.269 66 P C -0.340 176.981 177.300 0.035 0.000 1.215 66 P CA -0.130 63.001 63.100 0.053 0.000 0.780 66 P CB 0.757 32.536 31.700 0.132 0.000 0.898 67 A N 3.009 125.964 122.820 0.226 0.000 3.257 67 A HA 0.427 4.748 4.320 0.003 0.000 0.308 67 A C 0.282 178.033 177.584 0.278 0.000 1.175 67 A CA -0.257 51.916 52.037 0.226 0.000 1.018 67 A CB -0.532 18.581 19.000 0.188 0.000 1.088 67 A HN 0.619 nan 8.150 nan 0.000 0.567 68 K N -1.625 118.888 120.400 0.189 0.000 2.642 68 K HA 0.802 5.124 4.320 0.003 0.000 0.290 68 K C -0.685 175.953 176.600 0.064 0.000 1.006 68 K CA -0.500 55.889 56.287 0.169 0.000 0.869 68 K CB 0.933 33.475 32.500 0.069 0.000 1.499 68 K HN 0.546 nan 8.250 nan 0.000 0.403 69 A N 0.107 122.982 122.820 0.091 0.000 2.470 69 A HA 0.817 5.139 4.320 0.003 0.000 0.271 69 A C -0.637 176.995 177.584 0.080 0.000 1.269 69 A CA -0.420 51.605 52.037 -0.020 0.000 0.828 69 A CB 0.701 19.601 19.000 -0.166 0.000 1.374 69 A HN 1.176 nan 8.150 nan 0.000 0.454 70 C N -1.411 117.913 119.300 0.041 0.000 2.358 70 C HA 0.567 5.028 4.460 0.003 0.000 0.354 70 C C 1.446 176.454 174.990 0.030 0.000 1.183 70 C CA -0.371 58.673 59.018 0.043 0.000 2.150 70 C CB 0.664 28.444 27.740 0.066 0.000 2.361 70 C HN 0.938 nan 8.230 nan 0.000 0.535 71 Q N 1.806 121.602 119.800 -0.007 0.000 2.065 71 Q HA -0.191 4.151 4.340 0.003 0.000 0.213 71 Q C -0.286 175.690 176.000 -0.040 0.000 1.012 71 Q CA 2.904 58.695 55.803 -0.021 0.000 0.876 71 Q CB -1.355 27.352 28.738 -0.051 0.000 0.954 71 Q HN 0.765 nan 8.270 nan 0.000 0.413 72 P HA -0.180 nan 4.420 nan 0.000 0.219 72 P C 1.513 178.495 177.300 -0.530 0.000 1.146 72 P CA 0.993 63.931 63.100 -0.269 0.000 0.808 72 P CB -0.139 31.433 31.700 -0.212 0.000 0.779 73 L N 0.588 121.478 121.223 -0.554 0.000 2.012 73 L HA -0.089 4.253 4.340 0.003 0.000 0.210 73 L C 2.587 179.645 176.870 0.312 0.000 1.073 73 L CA 2.573 57.267 54.840 -0.244 0.000 0.748 73 L CB -1.577 40.496 42.059 0.023 0.000 0.891 73 L HN -0.027 nan 8.230 nan 0.000 0.431 74 G N -1.314 107.714 108.800 0.379 0.000 2.418 74 G HA2 -0.265 3.697 3.960 0.003 0.000 0.217 74 G HA3 -0.265 3.697 3.960 0.003 0.000 0.217 74 G C 1.605 176.766 174.900 0.436 0.000 1.158 74 G CA 0.786 46.280 45.100 0.656 0.000 0.771 74 G HN 0.641 nan 8.290 nan 0.000 0.545 75 A N 0.050 122.976 122.820 0.177 0.000 1.933 75 A HA 0.081 4.403 4.320 0.003 0.000 0.218 75 A C 2.600 180.208 177.584 0.040 0.000 1.175 75 A CA 1.822 53.888 52.037 0.048 0.000 0.628 75 A CB -0.532 18.472 19.000 0.008 0.000 0.814 75 A HN 0.265 nan 8.150 nan 0.000 0.444 76 V N -0.439 119.532 119.914 0.095 0.000 2.307 76 V HA -0.221 3.901 4.120 0.003 0.000 0.245 76 V C 2.474 178.635 176.094 0.113 0.000 1.045 76 V CA 1.916 64.297 62.300 0.135 0.000 1.024 76 V CB -0.765 31.190 31.823 0.220 0.000 0.651 76 V HN 0.590 nan 8.190 nan 0.000 0.449 77 L N -0.214 121.105 121.223 0.160 0.000 2.083 77 L HA -0.170 4.171 4.340 0.003 0.000 0.209 77 L C 2.446 179.346 176.870 0.051 0.000 1.083 77 L CA 2.178 57.012 54.840 -0.010 0.000 0.752 77 L CB -0.760 41.256 42.059 -0.071 0.000 0.899 77 L HN 0.471 nan 8.230 nan 0.000 0.433 78 C N -0.616 118.634 119.300 -0.083 0.000 2.436 78 C HA -0.146 4.315 4.460 0.003 0.000 0.277 78 C C 3.032 178.010 174.990 -0.020 0.000 1.241 78 C CA 0.979 59.732 59.018 -0.441 0.000 1.721 78 C CB -1.324 25.809 27.740 -1.011 0.000 2.043 78 C HN 0.700 nan 8.230 nan 0.000 0.472 79 A N 0.310 123.140 122.820 0.016 0.000 1.908 79 A HA -0.115 4.207 4.320 0.003 0.000 0.218 79 A C 2.140 179.831 177.584 0.178 0.000 1.181 79 A CA 1.912 54.024 52.037 0.125 0.000 0.627 79 A CB -0.856 18.174 19.000 0.050 0.000 0.818 79 A HN 0.706 nan 8.150 nan 0.000 0.445 80 L N -0.537 120.728 121.223 0.069 0.000 2.349 80 L HA -0.151 4.191 4.340 0.003 0.000 0.220 80 L C 2.410 179.251 176.870 -0.049 0.000 1.130 80 L CA 0.700 55.548 54.840 0.012 0.000 0.791 80 L CB -0.506 41.502 42.059 -0.086 0.000 0.918 80 L HN 0.515 nan 8.230 nan 0.000 0.444 81 G N -0.999 107.751 108.800 -0.083 0.000 2.848 81 G HA2 -0.010 3.952 3.960 0.003 0.000 0.208 81 G HA3 -0.010 3.952 3.960 0.003 0.000 0.208 81 G C 0.213 174.829 174.900 -0.473 0.000 1.152 81 G CA -0.215 44.702 45.100 -0.304 0.000 0.789 81 G HN 0.092 nan 8.290 nan 0.000 0.531 82 F N -0.183 119.728 119.950 -0.066 0.000 2.458 82 F HA 0.370 4.898 4.527 0.003 0.000 0.330 82 F C 0.561 176.313 175.800 -0.081 0.000 1.082 82 F CA -1.370 56.586 58.000 -0.073 0.000 0.995 82 F CB 1.521 40.474 39.000 -0.079 0.000 1.170 82 F HN -0.080 nan 8.300 nan 0.000 0.478 83 E N 3.550 123.786 120.200 0.060 0.000 2.493 83 E HA -0.056 4.296 4.350 0.003 0.000 0.255 83 E C -0.079 176.472 176.600 -0.082 0.000 0.999 83 E CA 0.083 56.471 56.400 -0.021 0.000 0.934 83 E CB 0.221 29.896 29.700 -0.040 0.000 0.940 83 E HN 0.488 nan 8.360 nan 0.000 0.473 84 K N 2.415 122.718 120.400 -0.161 0.000 3.078 84 K HA -0.173 4.149 4.320 0.003 0.000 0.261 84 K C -0.758 175.503 176.600 -0.565 0.000 0.947 84 K CA 0.969 56.905 56.287 -0.586 0.000 0.702 84 K CB -1.812 30.383 32.500 -0.508 0.000 1.318 84 K HN 0.517 nan 8.250 nan 0.000 0.473 85 T N 1.105 115.556 114.554 -0.171 0.000 2.837 85 T HA 0.421 4.773 4.350 0.003 0.000 0.285 85 T C 0.104 174.902 174.700 0.162 0.000 0.984 85 T CA -0.645 61.444 62.100 -0.019 0.000 1.049 85 T CB 1.208 70.117 68.868 0.068 0.000 0.947 85 T HN 0.162 nan 8.240 nan 0.000 0.472 86 M N 6.395 126.113 119.600 0.196 0.000 2.061 86 M HA 0.367 4.849 4.480 0.003 0.000 0.346 86 M C -2.464 173.961 176.300 0.207 0.000 1.112 86 M CA -2.858 52.607 55.300 0.275 0.000 1.021 86 M CB 0.857 33.651 32.600 0.324 0.000 1.530 86 M HN 0.150 nan 8.290 nan 0.000 0.437 87 P HA 0.018 nan 4.420 nan 0.000 0.263 87 P C -1.815 175.638 177.300 0.255 0.000 1.195 87 P CA 0.350 63.558 63.100 0.181 0.000 0.762 87 P CB -0.036 31.758 31.700 0.156 0.000 0.799 88 Y N 4.027 124.389 120.300 0.102 0.000 2.329 88 Y HA 0.376 4.928 4.550 0.003 0.000 0.328 88 Y C -1.327 174.653 175.900 0.134 0.000 0.992 88 Y CA -1.167 57.007 58.100 0.122 0.000 1.151 88 Y CB 1.467 39.996 38.460 0.115 0.000 1.150 88 Y HN 0.067 nan 8.280 nan 0.000 0.450 89 V N 6.577 126.648 119.914 0.262 0.000 2.328 89 V HA 0.176 4.298 4.120 0.003 0.000 0.278 89 V C -0.428 175.814 176.094 0.247 0.000 1.021 89 V CA -0.755 61.715 62.300 0.283 0.000 0.838 89 V CB 0.581 32.587 31.823 0.305 0.000 0.999 89 V HN 0.809 nan 8.190 nan 0.000 0.447 90 H N 3.913 123.141 119.070 0.263 0.000 2.819 90 H HA 0.612 5.170 4.556 0.003 0.000 0.303 90 H C 0.467 175.888 175.328 0.154 0.000 1.058 90 H CA 1.427 57.615 56.048 0.235 0.000 1.471 90 H CB 0.482 30.400 29.762 0.260 0.000 1.480 90 H HN 0.967 nan 8.280 nan 0.000 0.517 91 G N 2.427 111.103 108.800 -0.206 0.000 2.403 91 G HA2 0.054 4.016 3.960 0.003 0.000 0.223 91 G HA3 0.054 4.016 3.960 0.003 0.000 0.223 91 G C -1.030 173.815 174.900 -0.092 0.000 1.287 91 G CA -0.404 44.613 45.100 -0.138 0.000 0.982 91 G HN 0.857 nan 8.290 nan 0.000 0.471 92 S N 0.022 115.700 115.700 -0.038 0.000 2.586 92 S HA 0.431 4.902 4.470 0.003 0.000 0.274 92 S C 1.327 175.889 174.600 -0.063 0.000 1.281 92 S CA 0.538 58.710 58.200 -0.047 0.000 1.035 92 S CB 1.673 64.856 63.200 -0.030 0.000 0.962 92 S HN 1.115 nan 8.310 nan 0.000 0.512 93 Q N 2.013 121.762 119.800 -0.084 0.000 2.291 93 Q HA -0.005 4.337 4.340 0.003 0.000 0.205 93 Q C 1.733 177.630 176.000 -0.173 0.000 0.970 93 Q CA 1.360 57.096 55.803 -0.111 0.000 0.876 93 Q CB -0.902 27.777 28.738 -0.097 0.000 0.935 93 Q HN 0.863 nan 8.270 nan 0.000 0.455 94 G N 1.086 109.772 108.800 -0.191 0.000 2.422 94 G HA2 -0.255 3.706 3.960 0.003 0.000 0.218 94 G HA3 -0.255 3.706 3.960 0.003 0.000 0.218 94 G C 1.394 176.050 174.900 -0.407 0.000 1.146 94 G CA 0.911 45.825 45.100 -0.309 0.000 0.769 94 G HN 0.490 nan 8.290 nan 0.000 0.547 95 C N -0.113 118.999 119.300 -0.314 0.000 2.413 95 C HA -0.031 4.430 4.460 0.003 0.000 0.276 95 C C 3.026 177.347 174.990 -1.115 0.000 1.236 95 C CA 0.717 59.400 59.018 -0.559 0.000 1.735 95 C CB -1.041 26.531 27.740 -0.279 0.000 2.031 95 C HN 0.287 nan 8.230 nan 0.000 0.474 96 V N 1.419 120.989 119.914 -0.574 0.000 2.295 96 V HA -0.217 3.905 4.120 0.003 0.000 0.246 96 V C 2.760 178.727 176.094 -0.211 0.000 1.049 96 V CA 2.209 64.342 62.300 -0.279 0.000 1.024 96 V CB -1.299 30.506 31.823 -0.031 0.000 0.648 96 V HN 0.604 nan 8.190 nan 0.000 0.447 97 A N -1.005 121.672 122.820 -0.237 0.000 1.917 97 A HA -0.261 4.061 4.320 0.003 0.000 0.219 97 A C 2.108 179.634 177.584 -0.097 0.000 1.182 97 A CA 2.102 54.034 52.037 -0.176 0.000 0.633 97 A CB -0.753 18.081 19.000 -0.276 0.000 0.819 97 A HN 0.556 nan 8.150 nan 0.000 0.448 98 Y N -0.999 119.166 120.300 -0.225 0.000 2.200 98 Y HA -0.118 4.434 4.550 0.003 0.000 0.290 98 Y C 2.189 178.067 175.900 -0.037 0.000 1.137 98 Y CA 0.736 58.733 58.100 -0.170 0.000 1.163 98 Y CB -0.993 37.303 38.460 -0.274 0.000 0.988 98 Y HN 0.358 nan 8.280 nan 0.000 0.518 99 F N -0.288 119.798 119.950 0.226 0.000 2.134 99 F HA -0.144 4.384 4.527 0.003 0.000 0.299 99 F C 2.348 178.315 175.800 0.279 0.000 1.097 99 F CA 0.977 59.090 58.000 0.188 0.000 1.264 99 F CB -1.166 37.964 39.000 0.217 0.000 1.001 99 F HN -0.068 nan 8.300 nan 0.000 0.479 100 R N -0.071 120.672 120.500 0.405 0.000 2.066 100 R HA -0.091 4.251 4.340 0.003 0.000 0.232 100 R C 2.356 178.845 176.300 0.314 0.000 1.131 100 R CA 1.589 57.899 56.100 0.351 0.000 0.955 100 R CB -0.704 29.719 30.300 0.205 0.000 0.851 100 R HN 0.163 nan 8.270 nan 0.000 0.432 101 S N 0.087 115.933 115.700 0.245 0.000 2.382 101 S HA -0.158 4.314 4.470 0.003 0.000 0.228 101 S C 1.556 176.290 174.600 0.224 0.000 1.027 101 S CA 0.997 59.310 58.200 0.188 0.000 0.991 101 S CB -0.335 62.960 63.200 0.159 0.000 0.823 101 S HN 0.307 nan 8.310 nan 0.000 0.469 102 Y N 1.210 121.604 120.300 0.157 0.000 2.114 102 Y HA -0.120 4.432 4.550 0.003 0.000 0.284 102 Y C 1.875 177.989 175.900 0.358 0.000 1.143 102 Y CA 1.133 59.349 58.100 0.194 0.000 1.135 102 Y CB -0.523 37.999 38.460 0.104 0.000 0.980 102 Y HN 0.185 nan 8.280 nan 0.000 0.499 103 F N 0.281 120.565 119.950 0.556 0.000 2.186 103 F HA -0.187 4.342 4.527 0.003 0.000 0.299 103 F C 2.220 178.266 175.800 0.410 0.000 1.090 103 F CA 1.075 59.401 58.000 0.543 0.000 1.307 103 F CB -1.075 38.255 39.000 0.550 0.000 1.019 103 F HN 0.095 nan 8.300 nan 0.000 0.489 104 N N 0.426 119.388 118.700 0.437 0.000 2.061 104 N HA -0.204 4.538 4.740 0.003 0.000 0.193 104 N C 2.044 177.623 175.510 0.116 0.000 1.030 104 N CA 1.332 54.520 53.050 0.231 0.000 0.856 104 N CB -0.434 38.127 38.487 0.123 0.000 1.023 104 N HN 0.205 nan 8.380 nan 0.000 0.424 105 R N -0.393 120.120 120.500 0.023 0.000 2.075 105 R HA -0.081 4.261 4.340 0.003 0.000 0.232 105 R C 2.149 178.476 176.300 0.046 0.000 1.126 105 R CA 1.155 57.148 56.100 -0.178 0.000 0.963 105 R CB -0.337 29.498 30.300 -0.775 0.000 0.858 105 R HN 0.423 nan 8.270 nan 0.000 0.435 106 H N -1.363 117.805 119.070 0.163 0.000 2.372 106 H HA -0.007 4.551 4.556 0.003 0.000 0.301 106 H C 0.934 176.044 175.328 -0.364 0.000 1.065 106 H CA 1.630 57.648 56.048 -0.050 0.000 1.364 106 H CB 0.118 29.811 29.762 -0.115 0.000 1.406 106 H HN 0.116 nan 8.280 nan 0.000 0.521 107 F N 0.113 119.967 119.950 -0.159 0.000 2.754 107 F HA 0.261 4.789 4.527 0.003 0.000 0.297 107 F C 0.675 176.194 175.800 -0.469 0.000 1.122 107 F CA 0.215 57.848 58.000 -0.612 0.000 1.400 107 F CB 0.189 39.035 39.000 -0.257 0.000 1.117 107 F HN -0.057 nan 8.300 nan 0.000 0.587 108 R N 1.278 121.739 120.500 -0.066 0.000 3.322 108 R HA -0.176 4.166 4.340 0.003 0.000 0.253 108 R C -0.863 175.474 176.300 0.061 0.000 0.987 108 R CA 0.452 56.540 56.100 -0.020 0.000 0.666 108 R CB -1.903 28.363 30.300 -0.056 0.000 1.072 108 R HN 0.237 nan 8.270 nan 0.000 0.447 109 E N -0.572 119.686 120.200 0.097 0.000 2.416 109 E HA 0.384 4.735 4.350 0.003 0.000 0.273 109 E C -2.534 174.121 176.600 0.093 0.000 0.935 109 E CA -2.370 54.087 56.400 0.095 0.000 0.784 109 E CB 1.640 31.386 29.700 0.076 0.000 1.301 109 E HN -0.157 nan 8.360 nan 0.000 0.454 110 P HA 0.076 nan 4.420 nan 0.000 0.266 110 P C -0.747 176.617 177.300 0.107 0.000 1.195 110 P CA -0.093 63.060 63.100 0.089 0.000 0.768 110 P CB 0.466 32.267 31.700 0.170 0.000 0.838 111 V N 2.892 122.874 119.914 0.114 0.000 2.398 111 V HA 0.174 4.295 4.120 0.003 0.000 0.282 111 V C -0.233 175.928 176.094 0.111 0.000 1.014 111 V CA -0.347 62.031 62.300 0.130 0.000 0.838 111 V CB 1.417 33.389 31.823 0.248 0.000 1.018 111 V HN 0.441 nan 8.190 nan 0.000 0.432 112 S N 3.473 119.214 115.700 0.068 0.000 2.475 112 S HA 0.638 5.110 4.470 0.003 0.000 0.281 112 S C -0.356 174.269 174.600 0.042 0.000 1.198 112 S CA -0.384 57.824 58.200 0.014 0.000 1.063 112 S CB 1.158 64.322 63.200 -0.059 0.000 0.972 112 S HN 0.902 nan 8.310 nan 0.000 0.486 113 C N 4.071 123.390 119.300 0.032 0.000 3.181 113 C HA 0.721 5.182 4.460 0.003 0.000 0.362 113 C C -0.795 174.213 174.990 0.030 0.000 1.125 113 C CA -0.513 58.559 59.018 0.090 0.000 1.265 113 C CB 0.184 28.041 27.740 0.195 0.000 1.632 113 C HN 0.849 nan 8.230 nan 0.000 0.525 114 V N 2.534 122.463 119.914 0.025 0.000 3.113 114 V HA 0.982 5.103 4.120 0.003 0.000 0.316 114 V C -0.226 175.787 176.094 -0.135 0.000 1.125 114 V CA -0.207 62.058 62.300 -0.057 0.000 1.026 114 V CB 1.608 33.395 31.823 -0.060 0.000 1.080 114 V HN 1.192 nan 8.190 nan 0.000 0.444 115 S N -0.055 115.527 115.700 -0.197 0.000 2.638 115 S HA 0.609 5.081 4.470 0.003 0.000 0.302 115 S C -0.450 173.939 174.600 -0.351 0.000 1.096 115 S CA 0.041 58.099 58.200 -0.236 0.000 0.953 115 S CB 1.875 65.005 63.200 -0.115 0.000 1.107 115 S HN 1.119 nan 8.310 nan 0.000 0.503 116 D N 0.475 120.692 120.400 -0.305 0.000 2.559 116 D HA 0.234 4.876 4.640 0.003 0.000 0.234 116 D C -0.059 176.194 176.300 -0.077 0.000 1.226 116 D CA -0.313 53.586 54.000 -0.168 0.000 0.830 116 D CB -0.440 40.352 40.800 -0.014 0.000 1.028 116 D HN 0.375 nan 8.370 nan 0.000 0.492 117 S N 0.028 115.675 115.700 -0.087 0.000 3.447 117 S HA -0.262 4.210 4.470 0.003 0.000 0.371 117 S C 0.309 174.880 174.600 -0.047 0.000 0.951 117 S CA 0.201 58.364 58.200 -0.061 0.000 1.269 117 S CB -1.718 61.455 63.200 -0.046 0.000 0.919 117 S HN 0.538 nan 8.310 nan 0.000 0.516 118 M N 1.933 121.494 119.600 -0.064 0.000 2.217 118 M HA 0.168 4.650 4.480 0.003 0.000 0.352 118 M C 1.202 177.486 176.300 -0.027 0.000 1.376 118 M CA 0.320 55.592 55.300 -0.047 0.000 1.107 118 M CB 0.520 33.069 32.600 -0.084 0.000 1.723 118 M HN 0.575 nan 8.290 nan 0.000 0.461 119 T N -0.827 113.723 114.554 -0.007 0.000 2.876 119 T HA 0.373 4.724 4.350 0.003 0.000 0.277 119 T C 0.847 175.554 174.700 0.012 0.000 0.997 119 T CA -0.845 61.254 62.100 -0.001 0.000 0.966 119 T CB 0.714 69.584 68.868 0.002 0.000 1.312 119 T HN 0.613 nan 8.240 nan 0.000 0.598 120 E N 0.743 120.950 120.200 0.012 0.000 2.086 120 E HA -0.165 4.186 4.350 0.003 0.000 0.200 120 E C 1.757 178.376 176.600 0.032 0.000 1.012 120 E CA 1.829 58.238 56.400 0.015 0.000 0.812 120 E CB -0.338 29.370 29.700 0.013 0.000 0.743 120 E HN 0.573 nan 8.360 nan 0.000 0.453 121 D N -0.089 120.348 120.400 0.061 0.000 2.178 121 D HA -0.090 4.552 4.640 0.003 0.000 0.201 121 D C 1.808 178.205 176.300 0.161 0.000 0.980 121 D CA 1.289 55.367 54.000 0.128 0.000 0.842 121 D CB -0.228 40.656 40.800 0.140 0.000 0.948 121 D HN 0.230 nan 8.370 nan 0.000 0.472 122 A N 0.905 123.788 122.820 0.105 0.000 2.067 122 A HA 0.015 4.336 4.320 0.003 0.000 0.219 122 A C 2.279 179.905 177.584 0.070 0.000 1.158 122 A CA 1.642 53.742 52.037 0.106 0.000 0.661 122 A CB -0.351 18.688 19.000 0.065 0.000 0.801 122 A HN 0.222 nan 8.150 nan 0.000 0.452 123 A N -0.426 122.409 122.820 0.024 0.000 1.898 123 A HA 0.016 4.337 4.320 0.003 0.000 0.216 123 A C 2.138 179.672 177.584 -0.082 0.000 1.181 123 A CA 1.745 53.776 52.037 -0.009 0.000 0.620 123 A CB -0.751 18.237 19.000 -0.020 0.000 0.819 123 A HN 0.410 nan 8.150 nan 0.000 0.442 124 V N -2.146 117.662 119.914 -0.177 0.000 2.548 124 V HA -0.103 4.018 4.120 0.003 0.000 0.249 124 V C 1.618 177.248 176.094 -0.772 0.000 1.055 124 V CA 1.518 63.520 62.300 -0.496 0.000 1.065 124 V CB -0.765 30.674 31.823 -0.639 0.000 0.681 124 V HN 0.537 nan 8.190 nan 0.000 0.462 125 F N -0.114 119.857 119.950 0.034 0.000 2.706 125 F HA 0.619 5.147 4.527 0.003 0.000 0.313 125 F C 1.238 177.073 175.800 0.059 0.000 1.096 125 F CA 0.111 58.132 58.000 0.036 0.000 1.219 125 F CB 0.227 39.236 39.000 0.014 0.000 1.051 125 F HN 0.229 nan 8.300 nan 0.000 0.568 126 G N 0.249 109.161 108.800 0.187 0.000 2.746 126 G HA2 0.053 4.015 3.960 0.003 0.000 0.685 126 G HA3 0.053 4.015 3.960 0.003 0.000 0.685 126 G C 0.587 175.617 174.900 0.216 0.000 1.350 126 G CA -0.546 44.703 45.100 0.248 0.000 0.837 126 G HN 0.578 nan 8.290 nan 0.000 0.564 127 G N -0.662 108.343 108.800 0.342 0.000 3.707 127 G HA2 0.403 4.365 3.960 0.003 0.000 0.286 127 G HA3 0.403 4.365 3.960 0.003 0.000 0.286 127 G C 1.027 175.953 174.900 0.044 0.000 1.112 127 G CA 1.280 46.533 45.100 0.255 0.000 0.861 127 G HN 0.872 nan 8.290 nan 0.000 0.534 128 Q N 0.588 120.063 119.800 -0.543 0.000 2.030 128 Q HA -0.175 4.166 4.340 0.003 0.000 0.204 128 Q C 2.379 178.099 176.000 -0.467 0.000 0.986 128 Q CA 1.956 57.130 55.803 -1.049 0.000 0.843 128 Q CB -0.230 27.854 28.738 -1.090 0.000 0.904 128 Q HN 0.393 nan 8.270 nan 0.000 0.420 129 Q N 0.141 119.766 119.800 -0.293 0.000 2.170 129 Q HA -0.088 4.253 4.340 0.003 0.000 0.203 129 Q C 1.578 177.479 176.000 -0.165 0.000 0.976 129 Q CA 1.896 57.558 55.803 -0.235 0.000 0.858 129 Q CB -0.274 28.380 28.738 -0.140 0.000 0.907 129 Q HN 0.547 nan 8.270 nan 0.000 0.433 130 N N -0.672 117.992 118.700 -0.060 0.000 2.142 130 N HA -0.170 4.572 4.740 0.003 0.000 0.186 130 N C 1.617 177.190 175.510 0.106 0.000 1.023 130 N CA 1.514 54.583 53.050 0.032 0.000 0.852 130 N CB -0.186 38.345 38.487 0.073 0.000 0.998 130 N HN 0.297 nan 8.380 nan 0.000 0.424 131 M N 1.916 121.589 119.600 0.121 0.000 2.086 131 M HA -0.105 4.376 4.480 0.003 0.000 0.261 131 M C 1.823 178.083 176.300 -0.067 0.000 1.067 131 M CA 1.607 56.981 55.300 0.122 0.000 1.116 131 M CB -0.062 32.553 32.600 0.025 0.000 1.348 131 M HN -0.075 nan 8.290 nan 0.000 0.407 132 K N -0.132 120.076 120.400 -0.320 0.000 1.991 132 K HA -0.180 4.142 4.320 0.003 0.000 0.212 132 K C 1.731 178.033 176.600 -0.497 0.000 1.049 132 K CA 1.802 57.654 56.287 -0.726 0.000 0.932 132 K CB -0.515 31.138 32.500 -1.411 0.000 0.717 132 K HN 0.396 nan 8.250 nan 0.000 0.441 133 D N -0.143 120.090 120.400 -0.278 0.000 2.149 133 D HA -0.075 4.567 4.640 0.003 0.000 0.201 133 D C 1.984 178.342 176.300 0.096 0.000 0.972 133 D CA 1.164 55.171 54.000 0.012 0.000 0.835 133 D CB -0.390 40.429 40.800 0.031 0.000 0.966 133 D HN 0.360 nan 8.370 nan 0.000 0.476 134 G N 1.452 110.328 108.800 0.127 0.000 2.480 134 G HA2 -0.227 3.734 3.960 0.003 0.000 0.216 134 G HA3 -0.227 3.734 3.960 0.003 0.000 0.216 134 G C 1.815 176.946 174.900 0.385 0.000 1.200 134 G CA 0.401 45.654 45.100 0.255 0.000 0.782 134 G HN 0.229 nan 8.290 nan 0.000 0.554 135 L N 0.057 121.481 121.223 0.335 0.000 2.013 135 L HA -0.213 4.129 4.340 0.003 0.000 0.212 135 L C 3.041 179.991 176.870 0.134 0.000 1.073 135 L CA 1.889 56.838 54.840 0.182 0.000 0.753 135 L CB -0.513 41.547 42.059 0.003 0.000 0.890 135 L HN 0.370 nan 8.230 nan 0.000 0.432 136 Q N 0.023 119.907 119.800 0.140 0.000 2.050 136 Q HA -0.220 4.122 4.340 0.003 0.000 0.202 136 Q C 2.044 178.094 176.000 0.082 0.000 0.980 136 Q CA 1.731 57.605 55.803 0.118 0.000 0.840 136 Q CB 0.072 28.951 28.738 0.235 0.000 0.898 136 Q HN 0.499 nan 8.270 nan 0.000 0.424 137 N N 0.163 118.932 118.700 0.115 0.000 2.142 137 N HA -0.155 4.587 4.740 0.003 0.000 0.186 137 N C 1.923 177.496 175.510 0.104 0.000 1.023 137 N CA 1.212 54.314 53.050 0.086 0.000 0.852 137 N CB -0.773 37.770 38.487 0.093 0.000 0.998 137 N HN 0.347 nan 8.380 nan 0.000 0.424 138 C N 1.724 121.145 119.300 0.202 0.000 2.432 138 C HA -0.028 4.433 4.460 0.003 0.000 0.277 138 C C 2.677 177.799 174.990 0.221 0.000 1.249 138 C CA 0.809 60.013 59.018 0.311 0.000 1.725 138 C CB -0.828 27.163 27.740 0.419 0.000 2.028 138 C HN 0.398 nan 8.230 nan 0.000 0.477 139 K N 0.356 120.812 120.400 0.092 0.000 2.009 139 K HA -0.143 4.178 4.320 0.003 0.000 0.210 139 K C 2.170 178.751 176.600 -0.031 0.000 1.049 139 K CA 1.842 58.100 56.287 -0.048 0.000 0.929 139 K CB -0.410 31.899 32.500 -0.318 0.000 0.714 139 K HN 0.539 nan 8.250 nan 0.000 0.440 140 A N 0.180 122.975 122.820 -0.041 0.000 1.930 140 A HA -0.097 4.225 4.320 0.003 0.000 0.217 140 A C 2.129 179.670 177.584 -0.072 0.000 1.175 140 A CA 2.006 54.013 52.037 -0.050 0.000 0.627 140 A CB -0.671 18.301 19.000 -0.047 0.000 0.815 140 A HN 0.420 nan 8.150 nan 0.000 0.443 141 T N -1.810 112.666 114.554 -0.129 0.000 2.852 141 T HA -0.008 4.344 4.350 0.003 0.000 0.256 141 T C 1.320 175.755 174.700 -0.441 0.000 1.038 141 T CA 1.359 63.254 62.100 -0.342 0.000 1.141 141 T CB -0.289 68.265 68.868 -0.522 0.000 0.869 141 T HN 0.521 nan 8.240 nan 0.000 0.439 142 Y N 0.934 121.306 120.300 0.120 0.000 2.458 142 Y HA 0.303 4.855 4.550 0.003 0.000 0.256 142 Y C 0.485 176.537 175.900 0.254 0.000 1.159 142 Y CA -0.673 57.532 58.100 0.176 0.000 1.261 142 Y CB 0.159 38.744 38.460 0.208 0.000 1.119 142 Y HN -0.075 nan 8.280 nan 0.000 0.524 143 K N -0.694 119.862 120.400 0.260 0.000 3.490 143 K HA -0.186 4.136 4.320 0.003 0.000 0.273 143 K C -2.897 173.839 176.600 0.228 0.000 0.916 143 K CA 0.182 56.591 56.287 0.204 0.000 0.718 143 K CB -2.026 30.570 32.500 0.160 0.000 1.477 143 K HN 0.320 nan 8.250 nan 0.000 0.452 144 P HA 0.168 nan 4.420 nan 0.000 0.274 144 P C 0.461 177.860 177.300 0.164 0.000 1.231 144 P CA -0.320 62.820 63.100 0.066 0.000 0.790 144 P CB 0.652 32.496 31.700 0.241 0.000 0.951 145 D N 0.123 120.495 120.400 -0.047 0.000 2.305 145 D HA 0.096 4.738 4.640 0.003 0.000 0.206 145 D C 0.596 176.748 176.300 -0.247 0.000 0.974 145 D CA 1.190 55.190 54.000 0.001 0.000 0.871 145 D CB 0.247 40.992 40.800 -0.092 0.000 0.947 145 D HN 0.309 nan 8.370 nan 0.000 0.516 146 M N 0.277 119.740 119.600 -0.229 0.000 2.470 146 M HA 0.382 4.863 4.480 0.003 0.000 0.285 146 M C -1.988 174.239 176.300 -0.122 0.000 1.213 146 M CA -0.528 54.522 55.300 -0.417 0.000 0.901 146 M CB 2.627 35.057 32.600 -0.284 0.000 1.718 146 M HN -0.333 nan 8.290 nan 0.000 0.469 147 I N 3.286 123.796 120.570 -0.100 0.000 2.389 147 I HA 0.588 4.759 4.170 0.003 0.000 0.288 147 I C -0.509 175.540 176.117 -0.114 0.000 0.999 147 I CA -0.708 60.616 61.300 0.041 0.000 1.129 147 I CB 1.960 40.060 38.000 0.168 0.000 1.288 147 I HN 0.803 nan 8.210 nan 0.000 0.444 148 A N 7.012 129.791 122.820 -0.070 0.000 2.258 148 A HA 0.678 5.000 4.320 0.003 0.000 0.316 148 A C -0.567 176.998 177.584 -0.032 0.000 1.279 148 A CA -0.460 51.496 52.037 -0.134 0.000 0.876 148 A CB 0.815 19.720 19.000 -0.159 0.000 1.170 148 A HN 0.444 nan 8.150 nan 0.000 0.520 149 V N 3.376 123.254 119.914 -0.060 0.000 2.407 149 V HA 0.535 4.657 4.120 0.003 0.000 0.278 149 V C 0.608 176.738 176.094 0.060 0.000 1.037 149 V CA 0.193 62.514 62.300 0.034 0.000 0.900 149 V CB 0.993 32.768 31.823 -0.080 0.000 0.983 149 V HN 1.100 nan 8.190 nan 0.000 0.459 150 S N 3.212 118.987 115.700 0.126 0.000 2.823 150 S HA 0.899 5.370 4.470 0.003 0.000 0.316 150 S C -0.230 174.457 174.600 0.144 0.000 1.116 150 S CA -0.463 57.788 58.200 0.086 0.000 0.911 150 S CB 2.195 65.431 63.200 0.061 0.000 1.276 150 S HN 0.826 nan 8.310 nan 0.000 0.565 151 T N -1.225 113.404 114.554 0.124 0.000 2.896 151 T HA 0.738 5.090 4.350 0.003 0.000 0.297 151 T C -0.140 174.655 174.700 0.158 0.000 1.108 151 T CA -0.534 61.667 62.100 0.169 0.000 1.004 151 T CB 1.138 70.104 68.868 0.163 0.000 1.159 151 T HN 1.009 nan 8.240 nan 0.000 0.499 152 T N -1.820 112.833 114.554 0.166 0.000 2.912 152 T HA 0.332 4.684 4.350 0.003 0.000 0.280 152 T C 1.889 176.675 174.700 0.144 0.000 0.989 152 T CA -0.297 61.904 62.100 0.169 0.000 0.995 152 T CB 0.481 69.441 68.868 0.153 0.000 1.077 152 T HN 1.129 nan 8.240 nan 0.000 0.531 153 C N 1.278 120.674 119.300 0.160 0.000 2.419 153 C HA -0.005 4.456 4.460 0.003 0.000 0.281 153 C C 2.608 177.735 174.990 0.228 0.000 1.336 153 C CA 0.554 59.718 59.018 0.242 0.000 1.770 153 C CB -1.886 26.049 27.740 0.325 0.000 1.929 153 C HN 0.904 nan 8.230 nan 0.000 0.509 154 M N 2.392 122.078 119.600 0.143 0.000 2.065 154 M HA -0.138 4.344 4.480 0.003 0.000 0.259 154 M C 2.590 178.954 176.300 0.108 0.000 1.071 154 M CA 2.578 57.938 55.300 0.099 0.000 1.109 154 M CB -0.515 32.117 32.600 0.053 0.000 1.313 154 M HN 0.464 nan 8.290 nan 0.000 0.408 155 A N 0.021 122.903 122.820 0.104 0.000 1.972 155 A HA -0.162 4.159 4.320 0.003 0.000 0.219 155 A C 1.879 179.573 177.584 0.182 0.000 1.169 155 A CA 1.681 53.799 52.037 0.134 0.000 0.635 155 A CB -0.679 18.411 19.000 0.149 0.000 0.810 155 A HN 0.609 nan 8.150 nan 0.000 0.446 156 E N -0.189 120.133 120.200 0.204 0.000 2.047 156 E HA -0.097 4.255 4.350 0.003 0.000 0.191 156 E C 2.246 179.003 176.600 0.261 0.000 0.987 156 E CA 1.304 57.849 56.400 0.242 0.000 0.799 156 E CB -0.572 29.270 29.700 0.237 0.000 0.752 156 E HN 0.375 nan 8.360 nan 0.000 0.449 157 V N 2.425 122.491 119.914 0.253 0.000 2.358 157 V HA -0.216 3.906 4.120 0.003 0.000 0.246 157 V C 2.453 178.597 176.094 0.083 0.000 1.047 157 V CA 1.738 64.119 62.300 0.136 0.000 1.035 157 V CB -0.660 31.206 31.823 0.072 0.000 0.658 157 V HN 0.345 nan 8.190 nan 0.000 0.452 158 I N -1.031 119.591 120.570 0.087 0.000 3.444 158 I HA 0.336 4.507 4.170 0.003 0.000 0.287 158 I C 1.382 177.540 176.117 0.069 0.000 1.302 158 I CA 0.886 62.224 61.300 0.064 0.000 1.368 158 I CB -0.746 37.294 38.000 0.067 0.000 1.048 158 I HN 0.364 nan 8.210 nan 0.000 0.487 159 G N 1.733 110.579 108.800 0.077 0.000 2.182 159 G HA2 -0.233 3.729 3.960 0.003 0.000 0.248 159 G HA3 -0.233 3.729 3.960 0.003 0.000 0.248 159 G C -0.465 174.433 174.900 -0.003 0.000 1.042 159 G CA 0.112 45.235 45.100 0.039 0.000 0.775 159 G HN 0.513 nan 8.290 nan 0.000 0.501 160 D N 0.669 121.075 120.400 0.010 0.000 2.450 160 D HA 0.305 4.947 4.640 0.003 0.000 0.247 160 D C 0.323 176.363 176.300 -0.434 0.000 1.162 160 D CA 0.167 54.033 54.000 -0.224 0.000 0.879 160 D CB 0.945 41.742 40.800 -0.005 0.000 1.163 160 D HN 0.211 nan 8.370 nan 0.000 0.472 161 D N 3.202 123.127 120.400 -0.792 0.000 2.374 161 D HA 0.041 4.682 4.640 0.003 0.000 0.240 161 D C 1.299 177.112 176.300 -0.812 0.000 1.229 161 D CA -0.245 53.431 54.000 -0.541 0.000 0.895 161 D CB 0.491 41.079 40.800 -0.354 0.000 1.046 161 D HN 0.323 nan 8.370 nan 0.000 0.498 162 L N 3.539 124.413 121.223 -0.582 0.000 2.012 162 L HA -0.230 4.111 4.340 0.003 0.000 0.210 162 L C 2.128 178.498 176.870 -0.834 0.000 1.073 162 L CA 1.054 55.442 54.840 -0.754 0.000 0.748 162 L CB -0.441 41.100 42.059 -0.864 0.000 0.891 162 L HN 0.415 nan 8.230 nan 0.000 0.431 163 N N 0.013 118.140 118.700 -0.954 0.000 2.043 163 N HA -0.209 4.532 4.740 0.003 0.000 0.193 163 N C 1.784 177.100 175.510 -0.324 0.000 1.037 163 N CA 1.756 54.331 53.050 -0.791 0.000 0.851 163 N CB -0.099 38.161 38.487 -0.379 0.000 1.027 163 N HN 0.306 nan 8.380 nan 0.000 0.422 164 A N -0.403 122.297 122.820 -0.199 0.000 1.902 164 A HA -0.065 4.256 4.320 0.003 0.000 0.217 164 A C 1.927 179.587 177.584 0.128 0.000 1.181 164 A CA 1.104 53.133 52.037 -0.013 0.000 0.623 164 A CB -0.973 18.053 19.000 0.044 0.000 0.818 164 A HN 0.360 nan 8.150 nan 0.000 0.443 165 F N -0.015 119.818 119.950 -0.194 0.000 2.134 165 F HA -0.099 4.430 4.527 0.003 0.000 0.299 165 F C 2.201 177.882 175.800 -0.197 0.000 1.097 165 F CA 0.486 58.371 58.000 -0.191 0.000 1.264 165 F CB -0.954 37.897 39.000 -0.248 0.000 1.001 165 F HN 0.129 nan 8.300 nan 0.000 0.479 166 I N -0.109 120.426 120.570 -0.057 0.000 2.252 166 I HA -0.306 3.866 4.170 0.003 0.000 0.245 166 I C 1.937 178.039 176.117 -0.025 0.000 1.102 166 I CA 1.339 62.585 61.300 -0.089 0.000 1.385 166 I CB -0.567 37.331 38.000 -0.169 0.000 1.064 166 I HN 0.154 nan 8.210 nan 0.000 0.414 167 N N 0.768 119.454 118.700 -0.022 0.000 2.120 167 N HA -0.181 4.561 4.740 0.003 0.000 0.188 167 N C 1.497 177.026 175.510 0.032 0.000 1.024 167 N CA 1.408 54.467 53.050 0.015 0.000 0.852 167 N CB -0.227 38.266 38.487 0.010 0.000 1.003 167 N HN 0.402 nan 8.380 nan 0.000 0.424 168 N N 0.006 118.724 118.700 0.030 0.000 2.244 168 N HA -0.037 4.704 4.740 0.003 0.000 0.183 168 N C 1.449 176.990 175.510 0.052 0.000 1.016 168 N CA 0.692 53.761 53.050 0.032 0.000 0.866 168 N CB 0.105 38.592 38.487 0.000 0.000 0.980 168 N HN 0.107 nan 8.380 nan 0.000 0.430 169 S N 0.946 116.658 115.700 0.019 0.000 2.382 169 S HA -0.089 4.382 4.470 0.003 0.000 0.228 169 S C 1.648 176.361 174.600 0.187 0.000 1.027 169 S CA 1.045 59.291 58.200 0.075 0.000 0.991 169 S CB -0.058 63.136 63.200 -0.010 0.000 0.823 169 S HN 0.309 nan 8.310 nan 0.000 0.469 170 K N 0.818 121.283 120.400 0.109 0.000 2.062 170 K HA 0.017 4.338 4.320 0.003 0.000 0.205 170 K C 2.205 178.859 176.600 0.089 0.000 1.051 170 K CA 0.908 57.255 56.287 0.100 0.000 0.941 170 K CB -0.108 32.441 32.500 0.081 0.000 0.719 170 K HN -0.009 nan 8.250 nan 0.000 0.440 171 K N 1.454 121.903 120.400 0.081 0.000 2.063 171 K HA -0.104 4.218 4.320 0.003 0.000 0.208 171 K C 1.432 178.075 176.600 0.072 0.000 1.048 171 K CA 1.383 57.709 56.287 0.064 0.000 0.928 171 K CB 0.056 32.590 32.500 0.055 0.000 0.713 171 K HN 0.160 nan 8.250 nan 0.000 0.442 172 E N -0.843 119.438 120.200 0.135 0.000 2.476 172 E HA 0.082 4.434 4.350 0.003 0.000 0.191 172 E C 0.440 177.025 176.600 -0.026 0.000 1.064 172 E CA 0.516 56.989 56.400 0.122 0.000 0.866 172 E CB 0.265 30.167 29.700 0.336 0.000 0.952 172 E HN 0.461 nan 8.360 nan 0.000 0.492 173 G N 1.171 109.978 108.800 0.012 0.000 2.153 173 G HA2 -0.312 3.650 3.960 0.003 0.000 0.252 173 G HA3 -0.312 3.650 3.960 0.003 0.000 0.252 173 G C 0.541 175.361 174.900 -0.134 0.000 0.994 173 G CA 0.316 45.371 45.100 -0.075 0.000 0.698 173 G HN 0.311 nan 8.290 nan 0.000 0.521 174 F N 0.386 120.321 119.950 -0.025 0.000 2.206 174 F HA 0.263 4.791 4.527 0.003 0.000 0.298 174 F C 1.814 177.581 175.800 -0.054 0.000 1.090 174 F CA 1.566 59.546 58.000 -0.033 0.000 1.323 174 F CB 0.020 39.007 39.000 -0.023 0.000 1.028 174 F HN 0.422 nan 8.300 nan 0.000 0.492 175 I N -3.258 117.390 120.570 0.130 0.000 2.689 175 I HA 0.493 4.664 4.170 0.003 0.000 0.299 175 I C -2.848 173.291 176.117 0.037 0.000 1.059 175 I CA -2.845 58.462 61.300 0.011 0.000 1.055 175 I CB 1.501 39.511 38.000 0.017 0.000 1.243 175 I HN -0.380 nan 8.210 nan 0.000 0.425 176 P HA 0.029 nan 4.420 nan 0.000 0.266 176 P C 0.151 177.525 177.300 0.123 0.000 1.195 176 P CA 0.011 63.150 63.100 0.066 0.000 0.768 176 P CB 0.593 32.337 31.700 0.072 0.000 0.838 177 D N 1.898 122.352 120.400 0.091 0.000 2.190 177 D HA -0.192 4.449 4.640 0.003 0.000 0.200 177 D C 0.753 177.119 176.300 0.109 0.000 0.992 177 D CA 1.379 55.432 54.000 0.089 0.000 0.854 177 D CB 0.332 41.166 40.800 0.057 0.000 0.936 177 D HN 0.560 nan 8.370 nan 0.000 0.462 178 E N -0.703 119.570 120.200 0.122 0.000 2.474 178 E HA 0.002 4.353 4.350 0.003 0.000 0.195 178 E C 0.135 176.835 176.600 0.167 0.000 1.039 178 E CA -0.507 55.964 56.400 0.119 0.000 0.881 178 E CB 0.255 30.007 29.700 0.087 0.000 0.970 178 E HN 0.125 nan 8.360 nan 0.000 0.486 179 F N 4.012 123.993 119.950 0.052 0.000 2.543 179 F HA 0.110 4.639 4.527 0.003 0.000 0.375 179 F C -2.062 173.751 175.800 0.023 0.000 1.075 179 F CA -2.750 55.273 58.000 0.037 0.000 1.225 179 F CB 0.655 39.666 39.000 0.017 0.000 1.099 179 F HN -0.154 nan 8.300 nan 0.000 0.561 180 P HA 0.073 nan 4.420 nan 0.000 0.276 180 P C -0.959 175.895 177.300 -0.743 0.000 1.264 180 P CA 0.071 62.814 63.100 -0.596 0.000 0.769 180 P CB 1.085 32.542 31.700 -0.405 0.000 0.840 181 V N 6.140 125.613 119.914 -0.735 0.000 2.320 181 V HA 0.211 4.333 4.120 0.003 0.000 0.257 181 V C -2.197 173.506 176.094 -0.650 0.000 0.996 181 V CA -1.862 60.143 62.300 -0.492 0.000 0.928 181 V CB 0.858 32.589 31.823 -0.153 0.000 1.169 181 V HN 0.417 nan 8.190 nan 0.000 0.475 182 P HA 0.315 nan 4.420 nan 0.000 0.269 182 P C -0.662 176.472 177.300 -0.277 0.000 1.215 182 P CA 0.226 62.930 63.100 -0.659 0.000 0.780 182 P CB 0.388 31.683 31.700 -0.675 0.000 0.898 183 F N -0.935 118.842 119.950 -0.289 0.000 2.643 183 F HA 0.902 5.430 4.527 0.003 0.000 0.314 183 F C -1.485 174.188 175.800 -0.213 0.000 1.096 183 F CA -1.659 56.193 58.000 -0.247 0.000 0.953 183 F CB 1.076 39.922 39.000 -0.256 0.000 1.345 183 F HN 0.425 nan 8.300 nan 0.000 0.468 184 A N 0.724 123.515 122.820 -0.048 0.000 2.513 184 A HA 0.497 4.819 4.320 0.003 0.000 0.296 184 A C -1.881 175.692 177.584 -0.019 0.000 1.052 184 A CA -0.669 51.322 52.037 -0.077 0.000 0.714 184 A CB 0.736 19.673 19.000 -0.105 0.000 1.279 184 A HN 0.917 nan 8.150 nan 0.000 0.397 185 H N 2.043 121.164 119.070 0.086 0.000 2.767 185 H HA 0.347 4.905 4.556 0.003 0.000 0.316 185 H C 0.091 175.419 175.328 0.000 0.000 1.059 185 H CA 1.423 57.502 56.048 0.052 0.000 1.461 185 H CB 0.983 30.766 29.762 0.036 0.000 1.475 185 H HN 0.664 nan 8.280 nan 0.000 0.531 186 T N 1.702 116.299 114.554 0.073 0.000 3.401 186 T HA 0.205 4.557 4.350 0.003 0.000 0.341 186 T C -2.825 171.823 174.700 -0.088 0.000 1.674 186 T CA -1.940 60.159 62.100 -0.001 0.000 1.600 186 T CB 0.918 69.788 68.868 0.004 0.000 0.974 186 T HN 0.320 nan 8.240 nan 0.000 0.672 187 P HA 0.129 nan 4.420 nan 0.000 0.271 187 P C 1.169 178.148 177.300 -0.535 0.000 1.233 187 P CA -0.101 62.634 63.100 -0.607 0.000 0.764 187 P CB 1.263 32.313 31.700 -1.084 0.000 0.825 188 S N 3.232 118.722 115.700 -0.350 0.000 2.447 188 S HA -0.165 4.307 4.470 0.003 0.000 0.233 188 S C 1.357 175.914 174.600 -0.072 0.000 1.006 188 S CA 0.596 58.728 58.200 -0.114 0.000 0.957 188 S CB -1.297 61.929 63.200 0.042 0.000 0.773 188 S HN 0.499 nan 8.310 nan 0.000 0.507 189 F N 1.095 121.063 119.950 0.030 0.000 2.804 189 F HA 0.592 5.120 4.527 0.003 0.000 0.303 189 F C 0.053 175.858 175.800 0.009 0.000 1.154 189 F CA -0.923 57.085 58.000 0.014 0.000 1.401 189 F CB -0.593 38.417 39.000 0.016 0.000 1.106 189 F HN -0.065 nan 8.300 nan 0.000 0.568 190 V N 1.066 120.930 119.914 -0.084 0.000 2.540 190 V HA 0.740 4.862 4.120 0.003 0.000 0.302 190 V C 0.765 176.830 176.094 -0.047 0.000 1.035 190 V CA -0.485 61.800 62.300 -0.025 0.000 0.873 190 V CB 0.666 32.444 31.823 -0.074 0.000 0.992 190 V HN 0.636 nan 8.190 nan 0.000 0.428 191 G N 4.969 113.755 108.800 -0.025 0.000 2.591 191 G HA2 -0.159 3.803 3.960 0.003 0.000 0.298 191 G HA3 -0.159 3.803 3.960 0.003 0.000 0.298 191 G C 0.218 175.065 174.900 -0.088 0.000 1.195 191 G CA 0.888 45.955 45.100 -0.054 0.000 0.989 191 G HN 2.006 nan 8.290 nan 0.000 0.551 192 S N -2.493 113.131 115.700 -0.127 0.000 2.703 192 S HA 0.547 5.019 4.470 0.003 0.000 0.273 192 S C 1.051 175.534 174.600 -0.194 0.000 1.178 192 S CA 0.758 58.873 58.200 -0.142 0.000 0.838 192 S CB 0.516 63.595 63.200 -0.201 0.000 1.178 192 S HN 1.965 nan 8.310 nan 0.000 0.494 193 H N 0.920 119.879 119.070 -0.185 0.000 2.431 193 H HA -0.113 4.445 4.556 0.003 0.000 0.297 193 H C 2.109 177.275 175.328 -0.270 0.000 1.115 193 H CA 2.321 58.237 56.048 -0.219 0.000 1.277 193 H CB -1.480 28.081 29.762 -0.335 0.000 1.372 193 H HN 0.709 nan 8.280 nan 0.000 0.516 194 V N -0.348 119.038 119.914 -0.881 0.000 2.548 194 V HA -0.136 3.986 4.120 0.003 0.000 0.249 194 V C 2.257 178.240 176.094 -0.185 0.000 1.055 194 V CA 1.771 63.657 62.300 -0.689 0.000 1.065 194 V CB -1.109 30.107 31.823 -1.012 0.000 0.681 194 V HN 0.383 nan 8.190 nan 0.000 0.462 195 T N 1.289 115.765 114.554 -0.130 0.000 2.821 195 T HA 0.026 4.378 4.350 0.003 0.000 0.267 195 T C 1.965 176.710 174.700 0.076 0.000 1.046 195 T CA 1.574 63.679 62.100 0.007 0.000 1.139 195 T CB -0.771 68.079 68.868 -0.031 0.000 0.871 195 T HN 0.675 nan 8.240 nan 0.000 0.454 196 G N -0.219 108.618 108.800 0.063 0.000 2.408 196 G HA2 -0.194 3.768 3.960 0.003 0.000 0.217 196 G HA3 -0.194 3.768 3.960 0.003 0.000 0.217 196 G C 1.336 176.355 174.900 0.198 0.000 1.150 196 G CA 0.359 45.517 45.100 0.097 0.000 0.776 196 G HN 0.575 nan 8.290 nan 0.000 0.542 197 W N 1.120 122.497 121.300 0.129 0.000 2.378 197 W HA -0.063 4.599 4.660 0.003 0.000 0.313 197 W C 2.240 178.896 176.519 0.227 0.000 1.197 197 W CA 1.432 58.914 57.345 0.229 0.000 1.304 197 W CB 0.015 29.668 29.460 0.321 0.000 1.148 197 W HN 0.250 nan 8.180 nan 0.000 0.494 198 D N 0.078 120.855 120.400 0.629 0.000 2.116 198 D HA -0.263 4.379 4.640 0.003 0.000 0.193 198 D C 1.782 178.243 176.300 0.269 0.000 0.998 198 D CA 1.879 56.175 54.000 0.493 0.000 0.836 198 D CB -0.558 40.450 40.800 0.347 0.000 0.951 198 D HN 0.034 nan 8.370 nan 0.000 0.449 199 N N -0.376 118.420 118.700 0.158 0.000 2.120 199 N HA -0.163 4.579 4.740 0.003 0.000 0.188 199 N C 1.741 177.237 175.510 -0.023 0.000 1.024 199 N CA 0.941 54.022 53.050 0.052 0.000 0.852 199 N CB -0.431 38.078 38.487 0.037 0.000 1.003 199 N HN 0.293 nan 8.380 nan 0.000 0.424 200 M N -0.280 119.303 119.600 -0.028 0.000 2.099 200 M HA -0.040 4.442 4.480 0.003 0.000 0.262 200 M C 1.821 178.005 176.300 -0.194 0.000 1.067 200 M CA 1.177 56.395 55.300 -0.136 0.000 1.124 200 M CB -0.513 31.995 32.600 -0.154 0.000 1.353 200 M HN 0.089 nan 8.290 nan 0.000 0.410 201 F N 0.687 120.483 119.950 -0.257 0.000 2.102 201 F HA -0.202 4.327 4.527 0.003 0.000 0.298 201 F C 2.421 178.137 175.800 -0.140 0.000 1.105 201 F CA 2.203 60.078 58.000 -0.209 0.000 1.239 201 F CB -0.514 38.415 39.000 -0.118 0.000 0.991 201 F HN 0.263 nan 8.300 nan 0.000 0.474 202 E N 0.298 120.485 120.200 -0.021 0.000 2.110 202 E HA -0.162 4.190 4.350 0.003 0.000 0.193 202 E C 2.407 178.717 176.600 -0.483 0.000 0.988 202 E CA 1.233 57.493 56.400 -0.233 0.000 0.804 202 E CB -0.736 28.896 29.700 -0.113 0.000 0.745 202 E HN 0.511 nan 8.360 nan 0.000 0.458 203 G N 1.290 109.845 108.800 -0.407 0.000 2.418 203 G HA2 -0.212 3.749 3.960 0.003 0.000 0.217 203 G HA3 -0.212 3.749 3.960 0.003 0.000 0.217 203 G C 1.761 176.359 174.900 -0.502 0.000 1.158 203 G CA 0.789 45.586 45.100 -0.505 0.000 0.771 203 G HN 0.264 nan 8.290 nan 0.000 0.545 204 I N 1.303 121.579 120.570 -0.490 0.000 2.315 204 I HA -0.117 4.054 4.170 0.003 0.000 0.248 204 I C 3.267 179.217 176.117 -0.278 0.000 1.117 204 I CA 0.839 61.868 61.300 -0.452 0.000 1.404 204 I CB -0.179 37.417 38.000 -0.673 0.000 1.071 204 I HN 0.236 nan 8.210 nan 0.000 0.419 205 A N 1.106 123.674 122.820 -0.421 0.000 1.877 205 A HA -0.210 4.111 4.320 0.003 0.000 0.216 205 A C 2.402 179.955 177.584 -0.052 0.000 1.186 205 A CA 1.537 53.493 52.037 -0.135 0.000 0.620 205 A CB -0.580 18.285 19.000 -0.224 0.000 0.822 205 A HN 0.300 nan 8.150 nan 0.000 0.443 206 R N -2.170 118.000 120.500 -0.550 0.000 2.083 206 R HA -0.187 4.155 4.340 0.003 0.000 0.237 206 R C 2.175 178.380 176.300 -0.159 0.000 1.137 206 R CA 1.778 57.608 56.100 -0.450 0.000 0.951 206 R CB -0.661 29.280 30.300 -0.597 0.000 0.851 206 R HN 0.673 nan 8.270 nan 0.000 0.434 207 Y N 0.294 120.380 120.300 -0.356 0.000 2.151 207 Y HA -0.253 4.298 4.550 0.003 0.000 0.284 207 Y C 1.567 177.217 175.900 -0.415 0.000 1.166 207 Y CA 1.696 59.533 58.100 -0.439 0.000 1.163 207 Y CB -0.109 37.957 38.460 -0.657 0.000 0.974 207 Y HN -0.063 nan 8.280 nan 0.000 0.511 208 F N -1.279 118.672 119.950 0.001 0.000 2.754 208 F HA 0.061 4.590 4.527 0.003 0.000 0.297 208 F C 2.086 177.889 175.800 0.005 0.000 1.122 208 F CA 1.121 59.112 58.000 -0.015 0.000 1.400 208 F CB -0.045 38.978 39.000 0.038 0.000 1.117 208 F HN 0.163 nan 8.300 nan 0.000 0.587 209 T N -4.433 110.270 114.554 0.247 0.000 2.992 209 T HA 0.073 4.425 4.350 0.003 0.000 0.255 209 T C 1.663 176.501 174.700 0.229 0.000 0.938 209 T CA 0.116 62.367 62.100 0.252 0.000 0.895 209 T CB -0.607 68.517 68.868 0.426 0.000 1.221 209 T HN 0.045 nan 8.240 nan 0.000 0.512 210 L N 1.820 123.200 121.223 0.260 0.000 2.043 210 L HA 0.084 4.426 4.340 0.003 0.000 0.212 210 L C 1.718 178.641 176.870 0.088 0.000 1.075 210 L CA 1.795 56.767 54.840 0.221 0.000 0.752 210 L CB -0.416 41.751 42.059 0.180 0.000 0.891 210 L HN 0.103 nan 8.230 nan 0.000 0.432 211 K N -1.758 118.654 120.400 0.021 0.000 2.404 211 K HA 0.197 4.519 4.320 0.003 0.000 0.194 211 K C 1.638 178.233 176.600 -0.008 0.000 1.023 211 K CA 0.455 56.736 56.287 -0.009 0.000 1.094 211 K CB 0.452 32.920 32.500 -0.053 0.000 0.841 211 K HN 0.206 nan 8.250 nan 0.000 0.523 212 S N 0.455 116.158 115.700 0.006 0.000 2.559 212 S HA 0.131 4.603 4.470 0.003 0.000 0.226 212 S C 1.424 176.019 174.600 -0.008 0.000 1.000 212 S CA -0.224 57.973 58.200 -0.005 0.000 0.948 212 S CB 0.078 63.275 63.200 -0.004 0.000 0.870 212 S HN 0.034 nan 8.310 nan 0.000 0.497 213 M N 1.706 121.309 119.600 0.005 0.000 2.260 213 M HA -0.118 4.363 4.480 0.003 0.000 0.261 213 M C 1.234 177.525 176.300 -0.014 0.000 1.066 213 M CA 1.085 56.381 55.300 -0.006 0.000 1.082 213 M CB -1.358 31.249 32.600 0.012 0.000 1.388 213 M HN 0.211 nan 8.290 nan 0.000 0.419 214 D N 1.213 121.607 120.400 -0.009 0.000 2.149 214 D HA -0.179 4.463 4.640 0.003 0.000 0.194 214 D C 1.123 177.415 176.300 -0.014 0.000 1.001 214 D CA 1.684 55.678 54.000 -0.010 0.000 0.849 214 D CB -0.313 40.482 40.800 -0.009 0.000 0.939 214 D HN 0.551 nan 8.370 nan 0.000 0.449 215 D N -0.496 119.892 120.400 -0.020 0.000 2.388 215 D HA 0.016 4.658 4.640 0.003 0.000 0.221 215 D C -0.174 176.108 176.300 -0.030 0.000 1.133 215 D CA -0.135 53.851 54.000 -0.022 0.000 0.831 215 D CB -0.259 40.528 40.800 -0.023 0.000 0.962 215 D HN -0.005 nan 8.370 nan 0.000 0.502 216 K N 0.257 120.636 120.400 -0.035 0.000 2.211 216 K HA 0.492 4.814 4.320 0.003 0.000 0.275 216 K C -0.890 175.695 176.600 -0.025 0.000 1.024 216 K CA -0.725 55.534 56.287 -0.046 0.000 0.887 216 K CB 2.637 35.089 32.500 -0.081 0.000 1.084 216 K HN -0.142 nan 8.250 nan 0.000 0.463 217 V N 3.761 123.663 119.914 -0.020 0.000 2.384 217 V HA 0.160 4.282 4.120 0.003 0.000 0.287 217 V C -0.063 176.037 176.094 0.010 0.000 1.020 217 V CA -1.111 61.187 62.300 -0.003 0.000 0.850 217 V CB 1.677 33.495 31.823 -0.008 0.000 0.987 217 V HN 0.491 nan 8.190 nan 0.000 0.436 218 V N 5.312 125.250 119.914 0.040 0.000 2.493 218 V HA 0.388 4.510 4.120 0.003 0.000 0.292 218 V C 1.458 177.557 176.094 0.007 0.000 1.016 218 V CA 1.840 64.182 62.300 0.069 0.000 1.097 218 V CB 0.095 31.984 31.823 0.111 0.000 0.947 218 V HN 1.306 nan 8.190 nan 0.000 0.479 219 G N 4.140 112.928 108.800 -0.020 0.000 2.232 219 G HA2 -0.303 3.659 3.960 0.003 0.000 0.226 219 G HA3 -0.303 3.659 3.960 0.003 0.000 0.226 219 G C 1.110 175.993 174.900 -0.029 0.000 0.996 219 G CA 0.705 45.782 45.100 -0.038 0.000 0.626 219 G HN 1.049 nan 8.290 nan 0.000 0.509 220 S N 1.371 117.057 115.700 -0.023 0.000 2.442 220 S HA -0.128 4.344 4.470 0.003 0.000 0.236 220 S C 1.809 176.391 174.600 -0.030 0.000 1.007 220 S CA 1.755 59.940 58.200 -0.025 0.000 0.965 220 S CB -0.345 62.840 63.200 -0.024 0.000 0.773 220 S HN 1.134 nan 8.310 nan 0.000 0.504 221 N N 1.104 119.783 118.700 -0.035 0.000 2.280 221 N HA 0.042 4.784 4.740 0.003 0.000 0.192 221 N C 0.082 175.572 175.510 -0.033 0.000 1.109 221 N CA 0.123 53.150 53.050 -0.038 0.000 0.855 221 N CB -0.565 37.895 38.487 -0.046 0.000 0.974 221 N HN 0.382 nan 8.380 nan 0.000 0.482 222 K N -0.487 119.894 120.400 -0.031 0.000 3.088 222 K HA -0.206 4.115 4.320 0.003 0.000 0.273 222 K C -0.729 175.859 176.600 -0.020 0.000 1.111 222 K CA 0.875 57.145 56.287 -0.027 0.000 0.803 222 K CB -1.514 30.973 32.500 -0.022 0.000 1.226 222 K HN 0.531 nan 8.250 nan 0.000 0.485 223 K N 0.154 120.543 120.400 -0.019 0.000 2.258 223 K HA 0.630 4.951 4.320 0.003 0.000 0.236 223 K C 0.194 176.803 176.600 0.014 0.000 1.008 223 K CA -0.899 55.391 56.287 0.005 0.000 0.869 223 K CB 1.417 33.916 32.500 -0.002 0.000 1.171 223 K HN -0.010 nan 8.250 nan 0.000 0.447 224 I N 1.894 122.501 120.570 0.061 0.000 2.404 224 I HA 0.217 4.389 4.170 0.003 0.000 0.293 224 I C -0.515 175.690 176.117 0.146 0.000 0.992 224 I CA -1.007 60.331 61.300 0.064 0.000 1.149 224 I CB 1.551 39.575 38.000 0.041 0.000 1.315 224 I HN 0.428 nan 8.210 nan 0.000 0.446 225 N N 6.565 125.372 118.700 0.177 0.000 2.518 225 N HA 0.443 5.185 4.740 0.003 0.000 0.283 225 N C -0.772 174.886 175.510 0.248 0.000 1.119 225 N CA -0.262 52.943 53.050 0.259 0.000 0.983 225 N CB 1.802 40.518 38.487 0.382 0.000 1.139 225 N HN 0.320 nan 8.380 nan 0.000 0.465 226 I N 2.094 122.818 120.570 0.257 0.000 2.418 226 I HA 0.263 4.434 4.170 0.003 0.000 0.287 226 I C -0.409 175.814 176.117 0.177 0.000 1.008 226 I CA -0.727 60.696 61.300 0.206 0.000 1.104 226 I CB 1.442 39.566 38.000 0.207 0.000 1.264 226 I HN 0.039 nan 8.210 nan 0.000 0.438 227 V N 9.185 129.150 119.914 0.086 0.000 2.334 227 V HA 0.312 4.433 4.120 0.003 0.000 0.281 227 V C -1.335 174.718 176.094 -0.069 0.000 1.016 227 V CA -0.991 61.287 62.300 -0.036 0.000 0.832 227 V CB 1.742 33.421 31.823 -0.239 0.000 0.999 227 V HN 0.566 nan 8.190 nan 0.000 0.439 228 P HA 0.114 nan 4.420 nan 0.000 0.227 228 P C 0.770 177.845 177.300 -0.376 0.000 1.161 228 P CA 1.293 64.343 63.100 -0.083 0.000 0.788 228 P CB 0.569 32.393 31.700 0.207 0.000 0.822 229 G N 0.784 109.047 108.800 -0.894 0.000 2.828 229 G HA2 -0.268 3.694 3.960 0.003 0.000 0.463 229 G HA3 -0.268 3.694 3.960 0.003 0.000 0.463 229 G C -0.865 173.269 174.900 -1.278 0.000 1.394 229 G CA -0.467 43.878 45.100 -1.259 0.000 0.862 229 G HN 0.286 nan 8.290 nan 0.000 0.540 230 F N 1.485 120.814 119.950 -1.036 0.000 2.518 230 F HA 0.518 5.047 4.527 0.003 0.000 0.375 230 F C 0.462 176.131 175.800 -0.219 0.000 1.097 230 F CA 0.541 58.195 58.000 -0.576 0.000 1.108 230 F CB 0.662 39.468 39.000 -0.323 0.000 1.078 230 F HN 0.695 nan 8.300 nan 0.000 0.564 231 E N 3.654 123.688 120.200 -0.275 0.000 2.246 231 E HA 0.295 4.647 4.350 0.003 0.000 0.266 231 E C -0.308 176.187 176.600 -0.175 0.000 0.880 231 E CA -0.489 55.779 56.400 -0.221 0.000 0.762 231 E CB 1.403 30.850 29.700 -0.422 0.000 1.180 231 E HN 0.485 nan 8.360 nan 0.000 0.416 232 T N 0.939 115.385 114.554 -0.179 0.000 3.228 232 T HA 0.322 4.674 4.350 0.003 0.000 0.278 232 T C -0.426 174.283 174.700 0.015 0.000 1.014 232 T CA -0.205 61.854 62.100 -0.068 0.000 0.904 232 T CB -0.417 68.088 68.868 -0.605 0.000 1.110 232 T HN 0.268 nan 8.240 nan 0.000 0.541 233 Y N 1.070 121.442 120.300 0.120 0.000 2.328 233 Y HA 0.527 5.079 4.550 0.003 0.000 0.336 233 Y C 1.181 177.155 175.900 0.123 0.000 0.960 233 Y CA -1.636 56.546 58.100 0.136 0.000 1.134 233 Y CB 1.540 40.004 38.460 0.005 0.000 1.166 233 Y HN -0.044 nan 8.280 nan 0.000 0.464 234 L N 1.946 123.417 121.223 0.413 0.000 2.141 234 L HA -0.087 4.254 4.340 0.003 0.000 0.209 234 L C 2.196 179.215 176.870 0.249 0.000 1.094 234 L CA 1.431 56.505 54.840 0.390 0.000 0.763 234 L CB -0.506 41.745 42.059 0.320 0.000 0.908 234 L HN 0.944 nan 8.230 nan 0.000 0.437 235 G N -0.064 108.836 108.800 0.167 0.000 2.443 235 G HA2 -0.222 3.739 3.960 0.003 0.000 0.219 235 G HA3 -0.222 3.739 3.960 0.003 0.000 0.219 235 G C 1.392 176.287 174.900 -0.009 0.000 1.131 235 G CA 0.450 45.589 45.100 0.065 0.000 0.775 235 G HN 0.313 nan 8.290 nan 0.000 0.547 236 N N 0.484 119.142 118.700 -0.069 0.000 2.135 236 N HA -0.027 4.714 4.740 0.003 0.000 0.186 236 N C 1.808 177.184 175.510 -0.224 0.000 1.027 236 N CA 0.644 53.569 53.050 -0.209 0.000 0.849 236 N CB -0.482 37.827 38.487 -0.297 0.000 1.002 236 N HN 0.303 nan 8.380 nan 0.000 0.425 237 F N 1.281 121.235 119.950 0.007 0.000 2.095 237 F HA -0.068 4.461 4.527 0.003 0.000 0.298 237 F C 2.480 178.271 175.800 -0.015 0.000 1.104 237 F CA 0.891 58.887 58.000 -0.006 0.000 1.232 237 F CB -0.520 38.487 39.000 0.011 0.000 0.987 237 F HN -0.081 nan 8.300 nan 0.000 0.475 238 R N 0.109 120.719 120.500 0.184 0.000 2.083 238 R HA -0.129 4.213 4.340 0.003 0.000 0.237 238 R C 2.382 178.700 176.300 0.030 0.000 1.137 238 R CA 1.279 57.440 56.100 0.102 0.000 0.951 238 R CB -1.046 29.308 30.300 0.090 0.000 0.851 238 R HN 0.235 nan 8.270 nan 0.000 0.434 239 V N 0.362 120.265 119.914 -0.018 0.000 2.548 239 V HA -0.155 3.967 4.120 0.003 0.000 0.249 239 V C 1.849 177.890 176.094 -0.088 0.000 1.055 239 V CA 1.326 63.592 62.300 -0.057 0.000 1.065 239 V CB -0.250 31.516 31.823 -0.096 0.000 0.681 239 V HN 0.254 nan 8.190 nan 0.000 0.462 240 I N 0.210 120.712 120.570 -0.114 0.000 2.142 240 I HA -0.205 3.966 4.170 0.003 0.000 0.240 240 I C 2.493 178.501 176.117 -0.181 0.000 1.078 240 I CA 1.771 62.983 61.300 -0.147 0.000 1.343 240 I CB -1.334 36.579 38.000 -0.145 0.000 1.046 240 I HN 0.361 nan 8.210 nan 0.000 0.405 241 K N -0.056 120.241 120.400 -0.172 0.000 2.063 241 K HA -0.203 4.119 4.320 0.003 0.000 0.208 241 K C 2.289 178.802 176.600 -0.144 0.000 1.048 241 K CA 0.943 57.066 56.287 -0.274 0.000 0.928 241 K CB -0.173 32.342 32.500 0.025 0.000 0.713 241 K HN 0.144 nan 8.250 nan 0.000 0.442 242 R N 1.388 121.860 120.500 -0.046 0.000 2.080 242 R HA -0.072 4.270 4.340 0.003 0.000 0.236 242 R C 2.113 178.409 176.300 -0.007 0.000 1.137 242 R CA 1.729 57.828 56.100 -0.003 0.000 0.943 242 R CB -0.396 29.907 30.300 0.005 0.000 0.846 242 R HN 0.250 nan 8.270 nan 0.000 0.431 243 M N 0.399 119.987 119.600 -0.020 0.000 2.175 243 M HA -0.143 4.339 4.480 0.003 0.000 0.264 243 M C 2.355 178.661 176.300 0.009 0.000 1.063 243 M CA 1.376 56.685 55.300 0.015 0.000 1.119 243 M CB -0.220 32.402 32.600 0.036 0.000 1.377 243 M HN 0.091 nan 8.290 nan 0.000 0.415 244 L N -0.963 120.225 121.223 -0.058 0.000 2.056 244 L HA -0.162 4.179 4.340 0.003 0.000 0.207 244 L C 2.583 179.470 176.870 0.029 0.000 1.078 244 L CA 0.931 55.729 54.840 -0.069 0.000 0.749 244 L CB -0.669 41.203 42.059 -0.311 0.000 0.901 244 L HN 0.230 nan 8.230 nan 0.000 0.433 245 S N -0.349 115.385 115.700 0.057 0.000 2.368 245 S HA -0.184 4.287 4.470 0.003 0.000 0.225 245 S C 1.818 176.463 174.600 0.075 0.000 1.030 245 S CA 1.192 59.468 58.200 0.126 0.000 0.999 245 S CB -0.185 63.099 63.200 0.140 0.000 0.844 245 S HN 0.433 nan 8.310 nan 0.000 0.459 246 E N 0.833 121.065 120.200 0.053 0.000 2.130 246 E HA -0.135 4.217 4.350 0.003 0.000 0.196 246 E C 1.766 178.392 176.600 0.043 0.000 0.998 246 E CA 1.169 57.596 56.400 0.046 0.000 0.806 246 E CB -0.226 29.501 29.700 0.046 0.000 0.738 246 E HN 0.508 nan 8.360 nan 0.000 0.459 247 M N -0.807 118.819 119.600 0.042 0.000 2.619 247 M HA 0.061 4.543 4.480 0.003 0.000 0.251 247 M C 1.142 177.464 176.300 0.036 0.000 1.106 247 M CA 0.716 56.036 55.300 0.033 0.000 1.086 247 M CB 0.482 33.094 32.600 0.021 0.000 1.465 247 M HN 0.277 nan 8.290 nan 0.000 0.506 248 G N 1.136 109.967 108.800 0.052 0.000 2.160 248 G HA2 -0.207 3.755 3.960 0.003 0.000 0.251 248 G HA3 -0.207 3.755 3.960 0.003 0.000 0.251 248 G C -0.040 174.897 174.900 0.063 0.000 1.008 248 G CA -0.176 44.957 45.100 0.054 0.000 0.724 248 G HN 0.333 nan 8.290 nan 0.000 0.514 249 V N 0.943 120.908 119.914 0.085 0.000 2.455 249 V HA 0.586 4.708 4.120 0.003 0.000 0.273 249 V C 1.409 177.614 176.094 0.184 0.000 1.045 249 V CA 0.116 62.474 62.300 0.096 0.000 0.976 249 V CB 1.288 33.148 31.823 0.062 0.000 0.993 249 V HN 0.716 nan 8.190 nan 0.000 0.475 250 G N 5.100 113.967 108.800 0.111 0.000 2.378 250 G HA2 0.414 4.375 3.960 0.003 0.000 0.255 250 G HA3 0.414 4.375 3.960 0.003 0.000 0.255 250 G C -0.813 174.174 174.900 0.146 0.000 1.270 250 G CA 0.077 45.223 45.100 0.076 0.000 0.876 250 G HN 0.900 nan 8.290 nan 0.000 0.521 251 Y N -0.745 119.566 120.300 0.018 0.000 2.655 251 Y HA 0.797 5.349 4.550 0.003 0.000 0.336 251 Y C -0.542 175.383 175.900 0.041 0.000 1.154 251 Y CA -1.701 56.420 58.100 0.035 0.000 1.055 251 Y CB 1.570 40.061 38.460 0.052 0.000 1.295 251 Y HN 0.495 nan 8.280 nan 0.000 0.465 252 S N 1.972 117.778 115.700 0.176 0.000 2.776 252 S HA 0.459 4.930 4.470 0.003 0.000 0.284 252 S C -2.074 172.686 174.600 0.266 0.000 1.160 252 S CA -0.539 57.712 58.200 0.085 0.000 1.051 252 S CB 0.589 63.825 63.200 0.059 0.000 1.037 252 S HN 0.768 nan 8.310 nan 0.000 0.485 253 L N 6.668 128.066 121.223 0.292 0.000 2.315 253 L HA 0.542 4.884 4.340 0.003 0.000 0.283 253 L C -1.089 175.880 176.870 0.166 0.000 1.089 253 L CA 0.108 55.109 54.840 0.268 0.000 0.833 253 L CB 0.283 42.510 42.059 0.280 0.000 1.170 253 L HN 0.627 nan 8.230 nan 0.000 0.442 254 L N 5.530 126.895 121.223 0.237 0.000 2.264 254 L HA 0.473 4.815 4.340 0.003 0.000 0.287 254 L C 0.264 177.316 176.870 0.303 0.000 1.039 254 L CA -0.607 54.422 54.840 0.315 0.000 0.829 254 L CB 0.865 43.307 42.059 0.637 0.000 1.211 254 L HN 0.840 nan 8.230 nan 0.000 0.427 255 S N 2.462 118.063 115.700 -0.166 0.000 3.542 255 S HA -0.133 4.339 4.470 0.003 0.000 0.793 255 S C -0.938 173.505 174.600 -0.261 0.000 0.495 255 S CA -0.401 57.548 58.200 -0.418 0.000 1.474 255 S CB -0.386 62.910 63.200 0.159 0.000 0.927 255 S HN 0.851 nan 8.310 nan 0.000 1.064 256 D N 5.436 125.576 120.400 -0.434 0.000 2.420 256 D HA 0.482 5.123 4.640 0.003 0.000 0.255 256 D C -1.329 174.659 176.300 -0.520 0.000 1.185 256 D CA -1.849 51.873 54.000 -0.463 0.000 0.904 256 D CB 1.405 42.046 40.800 -0.265 0.000 1.102 256 D HN 0.293 nan 8.370 nan 0.000 0.534 257 P HA 0.034 nan 4.420 nan 0.000 0.257 257 P C 0.691 177.712 177.300 -0.466 0.000 1.281 257 P CA 0.204 62.994 63.100 -0.516 0.000 0.826 257 P CB 0.319 31.735 31.700 -0.474 0.000 1.237 258 E N 0.413 120.316 120.200 -0.495 0.000 2.204 258 E HA -0.191 4.161 4.350 0.003 0.000 0.195 258 E C 1.546 178.079 176.600 -0.113 0.000 0.990 258 E CA 1.183 57.457 56.400 -0.210 0.000 0.821 258 E CB -0.494 29.165 29.700 -0.069 0.000 0.750 258 E HN 0.113 nan 8.360 nan 0.000 0.477 259 E N 0.772 120.898 120.200 -0.123 0.000 2.060 259 E HA -0.072 4.280 4.350 0.003 0.000 0.189 259 E C 2.486 179.039 176.600 -0.077 0.000 0.974 259 E CA 1.526 57.883 56.400 -0.071 0.000 0.808 259 E CB -0.264 29.400 29.700 -0.059 0.000 0.768 259 E HN 0.409 nan 8.360 nan 0.000 0.453 260 V N 0.171 120.019 119.914 -0.109 0.000 2.720 260 V HA -0.118 4.004 4.120 0.003 0.000 0.256 260 V C 2.119 178.132 176.094 -0.134 0.000 1.082 260 V CA 1.156 63.395 62.300 -0.101 0.000 1.101 260 V CB -0.804 30.958 31.823 -0.101 0.000 0.693 260 V HN 0.080 nan 8.190 nan 0.000 0.479 261 L N 0.262 121.366 121.223 -0.197 0.000 2.685 261 L HA 0.414 4.756 4.340 0.003 0.000 0.233 261 L C 0.449 177.287 176.870 -0.054 0.000 1.173 261 L CA 0.348 55.038 54.840 -0.250 0.000 0.961 261 L CB 0.039 41.755 42.059 -0.571 0.000 1.217 261 L HN 0.286 nan 8.230 nan 0.000 0.478 262 D N -0.011 120.387 120.400 -0.002 0.000 3.671 262 D HA 0.028 4.670 4.640 0.003 0.000 0.291 262 D C 0.180 176.505 176.300 0.042 0.000 1.373 262 D CA -0.119 53.919 54.000 0.064 0.000 0.753 262 D CB 0.493 41.344 40.800 0.086 0.000 1.338 262 D HN 0.029 nan 8.370 nan 0.000 0.690 263 T N -0.268 114.308 114.554 0.037 0.000 2.913 263 T HA 0.556 4.908 4.350 0.003 0.000 0.297 263 T C -1.900 172.829 174.700 0.048 0.000 1.029 263 T CA -1.204 60.915 62.100 0.033 0.000 1.104 263 T CB 1.193 70.078 68.868 0.029 0.000 0.964 263 T HN 0.041 nan 8.240 nan 0.000 0.532 264 P HA 0.284 nan 4.420 nan 0.000 0.268 264 P C -0.706 176.624 177.300 0.050 0.000 1.204 264 P CA -0.473 62.650 63.100 0.039 0.000 0.768 264 P CB 0.410 32.127 31.700 0.028 0.000 0.842 265 A N 3.120 125.971 122.820 0.051 0.000 2.666 265 A HA 0.237 4.559 4.320 0.003 0.000 0.312 265 A C 0.595 178.206 177.584 0.045 0.000 1.471 265 A CA -0.380 51.691 52.037 0.057 0.000 1.134 265 A CB -0.601 18.432 19.000 0.055 0.000 1.129 265 A HN 0.598 nan 8.150 nan 0.000 0.539 266 D N 1.261 121.689 120.400 0.046 0.000 2.535 266 D HA 0.302 4.944 4.640 0.003 0.000 0.229 266 D C 0.858 177.182 176.300 0.039 0.000 1.238 266 D CA 0.477 54.499 54.000 0.037 0.000 0.824 266 D CB -0.123 40.696 40.800 0.030 0.000 1.045 266 D HN 0.988 nan 8.370 nan 0.000 0.500 267 G N 0.762 109.591 108.800 0.048 0.000 2.201 267 G HA2 -0.206 3.756 3.960 0.003 0.000 0.212 267 G HA3 -0.206 3.756 3.960 0.003 0.000 0.212 267 G C -0.058 174.879 174.900 0.062 0.000 0.994 267 G CA 0.146 45.275 45.100 0.048 0.000 0.644 267 G HN 0.696 nan 8.290 nan 0.000 0.508 268 Q N -0.921 118.924 119.800 0.075 0.000 2.416 268 Q HA 0.712 5.054 4.340 0.003 0.000 0.281 268 Q C -1.156 174.933 176.000 0.148 0.000 1.067 268 Q CA -1.349 54.514 55.803 0.099 0.000 0.809 268 Q CB 1.942 30.716 28.738 0.060 0.000 1.418 268 Q HN 0.632 nan 8.270 nan 0.000 0.411 269 F N 1.873 121.828 119.950 0.009 0.000 2.411 269 F HA 0.483 5.012 4.527 0.003 0.000 0.355 269 F C -0.783 175.013 175.800 -0.008 0.000 1.117 269 F CA -0.765 57.235 58.000 -0.001 0.000 1.139 269 F CB 1.072 40.071 39.000 -0.002 0.000 1.120 269 F HN 0.528 nan 8.300 nan 0.000 0.493 270 R N 7.319 127.582 120.500 -0.395 0.000 2.204 270 R HA 0.227 4.568 4.340 0.003 0.000 0.341 270 R C 1.223 177.020 176.300 -0.838 0.000 1.035 270 R CA -0.357 55.448 56.100 -0.491 0.000 0.887 270 R CB 1.163 31.346 30.300 -0.195 0.000 1.114 270 R HN 0.957 nan 8.270 nan 0.000 0.473 271 M N 2.470 121.404 119.600 -1.110 0.000 2.175 271 M HA -0.069 4.412 4.480 0.003 0.000 0.264 271 M C -0.551 175.339 176.300 -0.684 0.000 1.063 271 M CA 1.794 56.489 55.300 -1.008 0.000 1.119 271 M CB 0.389 32.399 32.600 -0.983 0.000 1.377 271 M HN 0.409 nan 8.290 nan 0.000 0.415 272 Y N -0.551 119.640 120.300 -0.183 0.000 2.524 272 Y HA 0.721 5.272 4.550 0.003 0.000 0.344 272 Y C -0.469 175.371 175.900 -0.099 0.000 1.012 272 Y CA -1.253 56.787 58.100 -0.100 0.000 1.068 272 Y CB 1.638 40.067 38.460 -0.051 0.000 1.249 272 Y HN 0.047 nan 8.280 nan 0.000 0.468 273 A N 0.949 123.818 122.820 0.082 0.000 2.555 273 A HA 0.656 4.978 4.320 0.003 0.000 0.297 273 A C 0.150 177.726 177.584 -0.014 0.000 1.060 273 A CA -0.228 51.817 52.037 0.013 0.000 0.710 273 A CB 0.629 19.615 19.000 -0.022 0.000 1.282 273 A HN 1.628 nan 8.150 nan 0.000 0.399 274 G N 1.185 109.970 108.800 -0.025 0.000 2.614 274 G HA2 0.439 4.400 3.960 0.003 0.000 0.303 274 G HA3 0.439 4.400 3.960 0.003 0.000 0.303 274 G C 1.590 176.449 174.900 -0.069 0.000 1.270 274 G CA 1.511 46.581 45.100 -0.050 0.000 0.988 274 G HN 3.248 nan 8.290 nan 0.000 0.551 275 G N -3.632 105.100 108.800 -0.113 0.000 2.699 275 G HA2 0.379 4.341 3.960 0.003 0.000 0.686 275 G HA3 0.379 4.341 3.960 0.003 0.000 0.686 275 G C -0.116 174.686 174.900 -0.162 0.000 1.301 275 G CA 0.361 45.362 45.100 -0.165 0.000 0.816 275 G HN 2.029 nan 8.290 nan 0.000 0.595 276 T N 1.748 116.141 114.554 -0.268 0.000 2.870 276 T HA 0.510 4.862 4.350 0.003 0.000 0.300 276 T C 1.332 176.007 174.700 -0.042 0.000 0.989 276 T CA 0.721 62.707 62.100 -0.189 0.000 1.139 276 T CB 0.767 69.434 68.868 -0.335 0.000 0.920 276 T HN 1.424 nan 8.240 nan 0.000 0.537 277 T N 1.582 116.107 114.554 -0.048 0.000 2.849 277 T HA 0.182 4.533 4.350 0.003 0.000 0.284 277 T C 1.301 175.925 174.700 -0.125 0.000 1.004 277 T CA -0.755 61.307 62.100 -0.063 0.000 1.021 277 T CB 0.869 69.688 68.868 -0.081 0.000 1.013 277 T HN 0.593 nan 8.240 nan 0.000 0.527 278 Q N 0.255 119.917 119.800 -0.230 0.000 2.167 278 Q HA -0.122 4.220 4.340 0.003 0.000 0.202 278 Q C 2.095 177.808 176.000 -0.478 0.000 0.970 278 Q CA 1.579 57.042 55.803 -0.567 0.000 0.855 278 Q CB -0.153 28.319 28.738 -0.444 0.000 0.911 278 Q HN 0.787 nan 8.270 nan 0.000 0.438 279 E N 1.126 121.183 120.200 -0.240 0.000 2.106 279 E HA -0.173 4.179 4.350 0.003 0.000 0.192 279 E C 1.646 178.155 176.600 -0.152 0.000 0.984 279 E CA 1.083 57.386 56.400 -0.162 0.000 0.806 279 E CB 0.009 29.647 29.700 -0.104 0.000 0.750 279 E HN 0.367 nan 8.360 nan 0.000 0.458 280 E N -0.140 119.980 120.200 -0.133 0.000 2.072 280 E HA -0.136 4.216 4.350 0.003 0.000 0.191 280 E C 1.893 178.442 176.600 -0.085 0.000 0.985 280 E CA 0.876 57.222 56.400 -0.090 0.000 0.801 280 E CB -0.036 29.633 29.700 -0.052 0.000 0.750 280 E HN 0.188 nan 8.360 nan 0.000 0.452 281 M N 0.852 120.376 119.600 -0.126 0.000 2.159 281 M HA -0.136 4.346 4.480 0.003 0.000 0.263 281 M C 1.892 178.127 176.300 -0.107 0.000 1.063 281 M CA 1.538 56.787 55.300 -0.085 0.000 1.110 281 M CB -0.591 31.878 32.600 -0.217 0.000 1.374 281 M HN -0.007 nan 8.290 nan 0.000 0.411 282 K N -0.423 119.871 120.400 -0.177 0.000 2.097 282 K HA -0.173 4.148 4.320 0.003 0.000 0.205 282 K C 1.443 177.966 176.600 -0.128 0.000 1.050 282 K CA 1.401 57.645 56.287 -0.073 0.000 0.938 282 K CB -0.182 32.288 32.500 -0.049 0.000 0.718 282 K HN 0.214 nan 8.250 nan 0.000 0.442 283 D N 0.233 120.547 120.400 -0.144 0.000 2.348 283 D HA 0.067 4.709 4.640 0.003 0.000 0.211 283 D C 1.540 177.713 176.300 -0.212 0.000 0.998 283 D CA 0.338 54.248 54.000 -0.150 0.000 0.873 283 D CB 0.213 40.949 40.800 -0.107 0.000 0.925 283 D HN 0.151 nan 8.370 nan 0.000 0.524 284 A N 1.130 123.779 122.820 -0.284 0.000 1.986 284 A HA -0.106 4.215 4.320 0.003 0.000 0.220 284 A C -0.229 176.934 177.584 -0.701 0.000 1.171 284 A CA 1.061 52.855 52.037 -0.405 0.000 0.640 284 A CB -1.464 17.281 19.000 -0.425 0.000 0.811 284 A HN 0.260 nan 8.150 nan 0.000 0.451 285 P HA -0.131 nan 4.420 nan 0.000 0.219 285 P C 0.548 177.745 177.300 -0.171 0.000 1.146 285 P CA 1.420 64.037 63.100 -0.805 0.000 0.808 285 P CB -0.314 30.945 31.700 -0.736 0.000 0.779 286 N N -0.900 117.712 118.700 -0.147 0.000 2.515 286 N HA 0.071 4.813 4.740 0.003 0.000 0.185 286 N C 0.587 176.091 175.510 -0.011 0.000 1.109 286 N CA -0.162 52.859 53.050 -0.048 0.000 0.903 286 N CB -0.233 38.211 38.487 -0.072 0.000 0.969 286 N HN 0.112 nan 8.380 nan 0.000 0.450 287 A N 0.209 123.040 122.820 0.018 0.000 2.425 287 A HA 0.144 4.465 4.320 0.003 0.000 0.242 287 A C 1.251 178.728 177.584 -0.178 0.000 1.077 287 A CA -0.270 51.748 52.037 -0.031 0.000 0.781 287 A CB 0.241 19.264 19.000 0.038 0.000 1.020 287 A HN 0.198 nan 8.150 nan 0.000 0.494 288 L N 0.490 121.614 121.223 -0.166 0.000 2.042 288 L HA -0.096 4.245 4.340 0.003 0.000 0.210 288 L C 1.181 177.830 176.870 -0.369 0.000 1.076 288 L CA 1.527 56.253 54.840 -0.189 0.000 0.749 288 L CB -0.389 41.606 42.059 -0.107 0.000 0.893 288 L HN 0.838 nan 8.230 nan 0.000 0.432 289 N N -2.535 115.918 118.700 -0.413 0.000 3.179 289 N HA 0.253 4.994 4.740 0.003 0.000 0.250 289 N C -1.468 173.986 175.510 -0.094 0.000 1.507 289 N CA -0.399 52.410 53.050 -0.401 0.000 0.883 289 N CB 1.742 40.142 38.487 -0.146 0.000 1.435 289 N HN -0.303 nan 8.380 nan 0.000 0.532 290 T N 0.286 114.937 114.554 0.161 0.000 2.848 290 T HA 0.526 4.878 4.350 0.003 0.000 0.285 290 T C -0.814 173.977 174.700 0.152 0.000 0.995 290 T CA -0.380 61.884 62.100 0.274 0.000 0.970 290 T CB 1.449 70.608 68.868 0.484 0.000 0.976 290 T HN 0.186 nan 8.240 nan 0.000 0.441 291 V N 4.615 124.605 119.914 0.127 0.000 2.435 291 V HA 0.467 4.589 4.120 0.003 0.000 0.290 291 V C -0.301 175.842 176.094 0.081 0.000 1.030 291 V CA -0.841 61.514 62.300 0.092 0.000 0.881 291 V CB 1.402 33.291 31.823 0.110 0.000 0.983 291 V HN 0.713 nan 8.190 nan 0.000 0.445 292 L N 5.726 126.963 121.223 0.024 0.000 2.262 292 L HA 0.406 4.747 4.340 0.003 0.000 0.288 292 L C 1.043 177.876 176.870 -0.063 0.000 1.035 292 L CA -0.344 54.470 54.840 -0.043 0.000 0.820 292 L CB 1.225 43.233 42.059 -0.086 0.000 1.204 292 L HN 0.595 nan 8.230 nan 0.000 0.424 293 L N 2.161 123.332 121.223 -0.087 0.000 2.217 293 L HA -0.052 4.290 4.340 0.003 0.000 0.211 293 L C 0.757 177.539 176.870 -0.148 0.000 1.107 293 L CA 1.176 55.947 54.840 -0.115 0.000 0.783 293 L CB -0.157 41.810 42.059 -0.153 0.000 0.919 293 L HN 0.714 nan 8.230 nan 0.000 0.442 294 Q N 0.042 119.709 119.800 -0.223 0.000 2.965 294 Q HA 0.177 4.518 4.340 0.003 0.000 0.288 294 Q C -1.729 174.086 176.000 -0.308 0.000 0.974 294 Q CA -1.452 54.197 55.803 -0.256 0.000 0.849 294 Q CB 1.383 29.885 28.738 -0.393 0.000 1.280 294 Q HN 0.079 nan 8.270 nan 0.000 0.441 295 P HA -0.170 nan 4.420 nan 0.000 0.217 295 P C 0.497 177.668 177.300 -0.215 0.000 1.150 295 P CA 1.100 64.063 63.100 -0.229 0.000 0.832 295 P CB 0.118 31.649 31.700 -0.281 0.000 0.787 296 W N 0.771 122.043 121.300 -0.047 0.000 2.721 296 W HA -0.075 4.587 4.660 0.003 0.000 0.245 296 W C 1.963 178.506 176.519 0.040 0.000 1.276 296 W CA 0.804 58.172 57.345 0.038 0.000 1.342 296 W CB -0.727 28.818 29.460 0.141 0.000 1.135 296 W HN 0.316 nan 8.180 nan 0.000 0.654 297 H N -2.478 116.668 119.070 0.127 0.000 2.575 297 H HA 0.346 4.903 4.556 0.003 0.000 0.256 297 H C 0.261 175.621 175.328 0.053 0.000 1.162 297 H CA -0.215 55.870 56.048 0.062 0.000 0.969 297 H CB -0.497 29.260 29.762 -0.007 0.000 1.796 297 H HN 0.173 nan 8.280 nan 0.000 0.607 298 L N 1.437 122.658 121.223 -0.004 0.000 3.255 298 L HA 0.192 4.533 4.340 0.003 0.000 0.293 298 L C 1.102 177.985 176.870 0.022 0.000 1.302 298 L CA -0.164 54.690 54.840 0.022 0.000 0.977 298 L CB 0.845 42.840 42.059 -0.106 0.000 1.390 298 L HN 0.132 nan 8.230 nan 0.000 0.588 299 E N 0.772 120.996 120.200 0.039 0.000 2.051 299 E HA -0.222 4.130 4.350 0.003 0.000 0.192 299 E C 1.697 178.320 176.600 0.038 0.000 0.991 299 E CA 1.105 57.514 56.400 0.014 0.000 0.799 299 E CB 0.277 29.997 29.700 0.034 0.000 0.748 299 E HN 0.403 nan 8.360 nan 0.000 0.449 300 K N 0.389 120.832 120.400 0.072 0.000 2.057 300 K HA -0.099 4.223 4.320 0.003 0.000 0.207 300 K C 2.239 178.894 176.600 0.093 0.000 1.049 300 K CA 1.539 57.870 56.287 0.073 0.000 0.931 300 K CB -0.012 32.532 32.500 0.073 0.000 0.714 300 K HN 0.023 nan 8.250 nan 0.000 0.440 301 T N 1.110 115.743 114.554 0.132 0.000 2.684 301 T HA -0.182 4.170 4.350 0.003 0.000 0.267 301 T C 1.745 176.498 174.700 0.088 0.000 1.036 301 T CA 1.555 63.761 62.100 0.176 0.000 1.148 301 T CB -0.123 68.896 68.868 0.252 0.000 0.863 301 T HN 0.310 nan 8.240 nan 0.000 0.436 302 K N 1.092 121.512 120.400 0.034 0.000 2.032 302 K HA -0.152 4.170 4.320 0.003 0.000 0.209 302 K C 2.242 178.827 176.600 -0.024 0.000 1.048 302 K CA 1.413 57.692 56.287 -0.014 0.000 0.927 302 K CB -0.069 32.405 32.500 -0.043 0.000 0.712 302 K HN 0.232 nan 8.250 nan 0.000 0.441 303 K N -0.477 119.925 120.400 0.002 0.000 2.147 303 K HA -0.167 4.155 4.320 0.003 0.000 0.205 303 K C 2.017 178.614 176.600 -0.005 0.000 1.049 303 K CA 1.436 57.724 56.287 0.001 0.000 0.936 303 K CB -0.201 32.314 32.500 0.026 0.000 0.722 303 K HN 0.168 nan 8.250 nan 0.000 0.446 304 F N 1.011 120.871 119.950 -0.150 0.000 2.187 304 F HA -0.112 4.416 4.527 0.003 0.000 0.295 304 F C 1.914 177.469 175.800 -0.408 0.000 1.091 304 F CA 0.716 58.573 58.000 -0.238 0.000 1.308 304 F CB -0.176 38.672 39.000 -0.253 0.000 1.030 304 F HN -0.313 nan 8.300 nan 0.000 0.487 305 V N 0.595 120.216 119.914 -0.489 0.000 2.407 305 V HA -0.284 3.837 4.120 0.003 0.000 0.248 305 V C 2.199 178.086 176.094 -0.345 0.000 1.055 305 V CA 2.360 64.265 62.300 -0.659 0.000 1.049 305 V CB -0.607 31.031 31.823 -0.309 0.000 0.662 305 V HN 0.367 nan 8.190 nan 0.000 0.455 306 E N 0.009 120.092 120.200 -0.194 0.000 2.051 306 E HA -0.057 4.294 4.350 0.003 0.000 0.189 306 E C 2.348 178.871 176.600 -0.129 0.000 0.979 306 E CA 1.044 57.386 56.400 -0.097 0.000 0.803 306 E CB -0.472 29.197 29.700 -0.052 0.000 0.761 306 E HN 0.609 nan 8.360 nan 0.000 0.451 307 G N 0.467 109.167 108.800 -0.168 0.000 2.402 307 G HA2 -0.211 3.750 3.960 0.003 0.000 0.216 307 G HA3 -0.211 3.750 3.960 0.003 0.000 0.216 307 G C 1.553 176.332 174.900 -0.203 0.000 1.162 307 G CA 1.359 46.372 45.100 -0.144 0.000 0.777 307 G HN 0.177 nan 8.290 nan 0.000 0.539 308 T N -0.941 113.365 114.554 -0.414 0.000 3.045 308 T HA 0.034 4.386 4.350 0.003 0.000 0.239 308 T C 1.768 176.362 174.700 -0.176 0.000 1.008 308 T CA 0.214 62.083 62.100 -0.386 0.000 1.143 308 T CB -0.026 68.361 68.868 -0.801 0.000 0.894 308 T HN 0.365 nan 8.240 nan 0.000 0.451 309 W N 1.988 122.985 121.300 -0.505 0.000 3.047 309 W HA 0.361 5.022 4.660 0.003 0.000 0.250 309 W C 0.445 176.768 176.519 -0.327 0.000 1.314 309 W CA -0.567 56.507 57.345 -0.451 0.000 1.540 309 W CB -0.396 28.653 29.460 -0.686 0.000 1.127 309 W HN 0.119 nan 8.180 nan 0.000 0.679 310 K N -0.229 120.160 120.400 -0.017 0.000 3.069 310 K HA -0.262 4.060 4.320 0.003 0.000 0.267 310 K C -0.435 176.277 176.600 0.187 0.000 1.082 310 K CA 0.870 57.187 56.287 0.051 0.000 0.782 310 K CB -2.672 29.862 32.500 0.056 0.000 1.230 310 K HN 0.457 nan 8.250 nan 0.000 0.488 311 H N 1.177 120.304 119.070 0.094 0.000 2.580 311 H HA 0.156 4.713 4.556 0.003 0.000 0.322 311 H C 0.660 176.013 175.328 0.042 0.000 1.082 311 H CA -0.623 55.480 56.048 0.091 0.000 1.383 311 H CB 0.788 30.647 29.762 0.162 0.000 1.450 311 H HN 0.171 nan 8.280 nan 0.000 0.505 312 E N 3.206 123.482 120.200 0.127 0.000 1.924 312 E HA 0.153 4.504 4.350 0.003 0.000 0.261 312 E C -0.493 176.134 176.600 0.044 0.000 1.088 312 E CA -0.523 55.913 56.400 0.060 0.000 0.909 312 E CB 0.463 30.180 29.700 0.028 0.000 1.112 312 E HN 0.221 nan 8.360 nan 0.000 0.425 313 V N 4.948 124.894 119.914 0.054 0.000 2.506 313 V HA -0.025 4.096 4.120 0.003 0.000 0.296 313 V C -1.744 174.344 176.094 -0.009 0.000 1.004 313 V CA -0.718 61.601 62.300 0.033 0.000 1.150 313 V CB -0.521 31.315 31.823 0.021 0.000 0.911 313 V HN 0.654 nan 8.190 nan 0.000 0.476 314 P HA 0.133 nan 4.420 nan 0.000 0.269 314 P C -0.441 176.825 177.300 -0.056 0.000 1.209 314 P CA -0.495 62.583 63.100 -0.037 0.000 0.776 314 P CB 0.453 32.127 31.700 -0.044 0.000 0.876 315 K N 3.087 123.447 120.400 -0.066 0.000 2.183 315 K HA 0.328 4.650 4.320 0.003 0.000 0.272 315 K C -0.896 175.642 176.600 -0.103 0.000 1.113 315 K CA 0.212 56.443 56.287 -0.094 0.000 0.949 315 K CB -1.053 31.397 32.500 -0.083 0.000 1.365 315 K HN 0.392 nan 8.250 nan 0.000 0.420 316 L N 3.193 124.347 121.223 -0.115 0.000 2.362 316 L HA 0.451 4.793 4.340 0.003 0.000 0.271 316 L C -0.058 176.688 176.870 -0.208 0.000 1.002 316 L CA -1.105 53.660 54.840 -0.126 0.000 0.818 316 L CB 2.193 44.236 42.059 -0.026 0.000 1.298 316 L HN 0.547 nan 8.230 nan 0.000 0.420 317 N N 1.355 119.827 118.700 -0.381 0.000 2.408 317 N HA 0.347 5.089 4.740 0.003 0.000 0.260 317 N C -0.139 175.196 175.510 -0.291 0.000 1.242 317 N CA -0.652 52.068 53.050 -0.549 0.000 0.959 317 N CB 1.069 38.633 38.487 -1.538 0.000 1.201 317 N HN 0.487 nan 8.380 nan 0.000 0.511 318 I N 2.162 122.641 120.570 -0.152 0.000 2.826 318 I HA -0.010 4.161 4.170 0.003 0.000 0.295 318 I C -1.803 174.337 176.117 0.037 0.000 1.213 318 I CA -1.187 60.104 61.300 -0.016 0.000 1.436 318 I CB 0.656 38.716 38.000 0.099 0.000 1.348 318 I HN 0.462 nan 8.210 nan 0.000 0.570 319 P HA 0.097 nan 4.420 nan 0.000 0.235 319 P C -0.862 176.364 177.300 -0.123 0.000 1.765 319 P CA 0.376 63.383 63.100 -0.155 0.000 1.034 319 P CB -0.082 31.258 31.700 -0.601 0.000 1.984 320 M N 1.123 120.757 119.600 0.056 0.000 2.465 320 M HA 0.571 5.053 4.480 0.003 0.000 0.316 320 M C 0.574 176.785 176.300 -0.149 0.000 1.121 320 M CA 0.165 55.416 55.300 -0.081 0.000 0.934 320 M CB 2.534 35.120 32.600 -0.023 0.000 1.692 320 M HN 0.372 nan 8.290 nan 0.000 0.444 321 G N 1.241 109.800 108.800 -0.402 0.000 2.828 321 G HA2 -0.216 3.746 3.960 0.003 0.000 0.463 321 G HA3 -0.216 3.746 3.960 0.003 0.000 0.463 321 G C -0.273 174.526 174.900 -0.170 0.000 1.394 321 G CA -0.225 44.626 45.100 -0.415 0.000 0.862 321 G HN 0.735 nan 8.290 nan 0.000 0.540 322 L N -0.120 121.100 121.223 -0.005 0.000 1.973 322 L HA 0.121 4.463 4.340 0.003 0.000 0.208 322 L C 2.562 179.507 176.870 0.124 0.000 1.073 322 L CA 3.030 57.946 54.840 0.127 0.000 0.746 322 L CB -0.891 41.255 42.059 0.145 0.000 0.891 322 L HN 0.664 nan 8.230 nan 0.000 0.433 323 D N -1.064 119.372 120.400 0.060 0.000 2.123 323 D HA -0.229 4.413 4.640 0.003 0.000 0.196 323 D C 1.966 178.446 176.300 0.299 0.000 0.992 323 D CA 1.363 55.441 54.000 0.130 0.000 0.833 323 D CB -0.350 40.493 40.800 0.073 0.000 0.954 323 D HN 0.454 nan 8.370 nan 0.000 0.455 324 W N 0.869 122.184 121.300 0.025 0.000 2.678 324 W HA 0.082 4.744 4.660 0.003 0.000 0.256 324 W C 2.152 178.663 176.519 -0.015 0.000 1.280 324 W CA 0.392 57.743 57.345 0.011 0.000 1.345 324 W CB -1.141 28.315 29.460 -0.007 0.000 1.118 324 W HN -0.059 nan 8.180 nan 0.000 0.629 325 T N -0.153 114.467 114.554 0.109 0.000 2.896 325 T HA -0.118 4.234 4.350 0.003 0.000 0.263 325 T C 1.206 175.938 174.700 0.052 0.000 1.050 325 T CA 1.447 63.499 62.100 -0.079 0.000 1.140 325 T CB -0.116 68.438 68.868 -0.523 0.000 0.877 325 T HN -0.084 nan 8.240 nan 0.000 0.457 326 D N 1.601 122.093 120.400 0.154 0.000 2.092 326 D HA -0.086 4.555 4.640 0.003 0.000 0.193 326 D C 2.206 178.598 176.300 0.153 0.000 0.994 326 D CA 1.120 55.237 54.000 0.196 0.000 0.828 326 D CB -0.274 40.643 40.800 0.195 0.000 0.963 326 D HN 0.489 nan 8.370 nan 0.000 0.450 327 E N -0.260 120.040 120.200 0.167 0.000 2.070 327 E HA -0.200 4.152 4.350 0.003 0.000 0.197 327 E C 2.024 178.682 176.600 0.096 0.000 1.004 327 E CA 0.670 57.143 56.400 0.121 0.000 0.805 327 E CB -0.295 29.482 29.700 0.129 0.000 0.744 327 E HN 0.245 nan 8.360 nan 0.000 0.451 328 F N 1.534 121.478 119.950 -0.010 0.000 2.095 328 F HA -0.222 4.306 4.527 0.003 0.000 0.298 328 F C 1.957 177.734 175.800 -0.037 0.000 1.104 328 F CA 1.469 59.443 58.000 -0.043 0.000 1.232 328 F CB -0.152 38.805 39.000 -0.071 0.000 0.987 328 F HN -0.084 nan 8.300 nan 0.000 0.475 329 L N -0.532 120.703 121.223 0.021 0.000 2.093 329 L HA -0.228 4.114 4.340 0.003 0.000 0.208 329 L C 2.552 179.360 176.870 -0.103 0.000 1.085 329 L CA 1.363 56.160 54.840 -0.070 0.000 0.755 329 L CB -0.653 41.458 42.059 0.085 0.000 0.904 329 L HN 0.249 nan 8.230 nan 0.000 0.435 330 M N -0.368 119.208 119.600 -0.039 0.000 2.175 330 M HA -0.197 4.285 4.480 0.003 0.000 0.264 330 M C 2.316 178.568 176.300 -0.081 0.000 1.063 330 M CA 1.485 56.764 55.300 -0.036 0.000 1.119 330 M CB -0.250 32.353 32.600 0.005 0.000 1.377 330 M HN 0.023 nan 8.290 nan 0.000 0.415 331 K N 0.649 120.976 120.400 -0.122 0.000 2.057 331 K HA -0.053 4.269 4.320 0.003 0.000 0.206 331 K C 1.546 178.031 176.600 -0.192 0.000 1.050 331 K CA 1.248 57.450 56.287 -0.140 0.000 0.935 331 K CB -0.562 31.852 32.500 -0.143 0.000 0.715 331 K HN 0.117 nan 8.250 nan 0.000 0.439 332 V N 0.510 120.236 119.914 -0.314 0.000 2.343 332 V HA -0.229 3.893 4.120 0.003 0.000 0.247 332 V C 2.400 178.398 176.094 -0.162 0.000 1.051 332 V CA 2.092 64.213 62.300 -0.299 0.000 1.036 332 V CB -0.670 30.872 31.823 -0.468 0.000 0.654 332 V HN 0.522 nan 8.190 nan 0.000 0.451 333 S N -0.791 114.833 115.700 -0.126 0.000 2.368 333 S HA -0.276 4.196 4.470 0.003 0.000 0.225 333 S C 2.091 176.655 174.600 -0.059 0.000 1.030 333 S CA 2.092 60.250 58.200 -0.071 0.000 0.999 333 S CB -0.288 62.884 63.200 -0.048 0.000 0.844 333 S HN 0.721 nan 8.310 nan 0.000 0.459 334 E N 0.175 120.336 120.200 -0.064 0.000 2.051 334 E HA -0.142 4.210 4.350 0.003 0.000 0.192 334 E C 2.040 178.608 176.600 -0.053 0.000 0.991 334 E CA 1.628 57.998 56.400 -0.051 0.000 0.799 334 E CB -0.253 29.417 29.700 -0.050 0.000 0.748 334 E HN 0.665 nan 8.360 nan 0.000 0.449 335 I N 0.816 121.345 120.570 -0.069 0.000 2.252 335 I HA -0.222 3.949 4.170 0.003 0.000 0.245 335 I C 2.603 178.688 176.117 -0.054 0.000 1.102 335 I CA 1.374 62.635 61.300 -0.065 0.000 1.385 335 I CB -0.211 37.739 38.000 -0.082 0.000 1.064 335 I HN 0.162 nan 8.210 nan 0.000 0.414 336 S N 0.060 115.728 115.700 -0.053 0.000 2.501 336 S HA 0.176 4.647 4.470 0.003 0.000 0.220 336 S C 1.751 176.335 174.600 -0.026 0.000 0.997 336 S CA 0.412 58.591 58.200 -0.035 0.000 0.919 336 S CB 0.371 63.554 63.200 -0.028 0.000 0.778 336 S HN 0.578 nan 8.310 nan 0.000 0.523 337 G N 0.951 109.734 108.800 -0.029 0.000 2.153 337 G HA2 -0.211 3.751 3.960 0.003 0.000 0.252 337 G HA3 -0.211 3.751 3.960 0.003 0.000 0.252 337 G C -0.191 174.700 174.900 -0.015 0.000 0.994 337 G CA 0.070 45.157 45.100 -0.021 0.000 0.698 337 G HN 0.514 nan 8.290 nan 0.000 0.521 338 Q N 0.319 120.109 119.800 -0.017 0.000 2.256 338 Q HA 0.410 4.752 4.340 0.003 0.000 0.254 338 Q C -2.221 173.774 176.000 -0.008 0.000 0.916 338 Q CA -1.767 54.031 55.803 -0.008 0.000 0.932 338 Q CB 1.392 30.128 28.738 -0.004 0.000 1.207 338 Q HN 0.245 nan 8.270 nan 0.000 0.426 339 P HA 0.104 nan 4.420 nan 0.000 0.269 339 P C -0.181 177.124 177.300 0.008 0.000 1.209 339 P CA -0.041 63.060 63.100 0.002 0.000 0.776 339 P CB 0.511 32.214 31.700 0.005 0.000 0.876 340 I N 4.810 125.387 120.570 0.013 0.000 2.505 340 I HA 0.101 4.273 4.170 0.003 0.000 0.287 340 I C -1.360 174.774 176.117 0.029 0.000 1.104 340 I CA -1.550 59.767 61.300 0.028 0.000 1.387 340 I CB 0.185 38.210 38.000 0.041 0.000 1.404 340 I HN 0.265 nan 8.210 nan 0.000 0.528 341 P HA 0.116 nan 4.420 nan 0.000 0.274 341 P C 0.403 177.719 177.300 0.025 0.000 1.246 341 P CA -0.395 62.721 63.100 0.026 0.000 0.795 341 P CB 1.126 32.843 31.700 0.028 0.000 1.006 342 A N 2.107 124.936 122.820 0.016 0.000 1.948 342 A HA -0.224 4.098 4.320 0.003 0.000 0.220 342 A C 2.276 179.864 177.584 0.008 0.000 1.177 342 A CA 2.561 54.603 52.037 0.009 0.000 0.636 342 A CB -1.758 17.245 19.000 0.005 0.000 0.815 342 A HN 0.709 nan 8.150 nan 0.000 0.449 343 S N 0.099 115.809 115.700 0.016 0.000 2.359 343 S HA -0.131 4.340 4.470 0.003 0.000 0.224 343 S C 1.871 176.486 174.600 0.025 0.000 1.035 343 S CA 1.549 59.760 58.200 0.019 0.000 1.018 343 S CB -0.755 62.461 63.200 0.027 0.000 0.876 343 S HN 0.464 nan 8.310 nan 0.000 0.448 344 L N 1.214 122.467 121.223 0.051 0.000 2.109 344 L HA -0.064 4.277 4.340 0.003 0.000 0.207 344 L C 2.937 179.820 176.870 0.021 0.000 1.086 344 L CA 1.492 56.390 54.840 0.096 0.000 0.760 344 L CB -1.163 40.989 42.059 0.155 0.000 0.910 344 L HN 0.389 nan 8.230 nan 0.000 0.437 345 T N -0.622 113.932 114.554 -0.000 0.000 2.788 345 T HA -0.246 4.105 4.350 0.003 0.000 0.268 345 T C 1.884 176.524 174.700 -0.100 0.000 1.044 345 T CA 1.507 63.578 62.100 -0.048 0.000 1.139 345 T CB -0.073 68.784 68.868 -0.018 0.000 0.867 345 T HN 0.233 nan 8.240 nan 0.000 0.454 346 K N 1.082 121.441 120.400 -0.069 0.000 2.025 346 K HA -0.097 4.225 4.320 0.003 0.000 0.207 346 K C 2.358 178.887 176.600 -0.118 0.000 1.049 346 K CA 1.394 57.636 56.287 -0.075 0.000 0.933 346 K CB -0.083 32.393 32.500 -0.040 0.000 0.714 346 K HN 0.345 nan 8.250 nan 0.000 0.438 347 E N 0.487 120.616 120.200 -0.119 0.000 2.085 347 E HA -0.264 4.088 4.350 0.003 0.000 0.194 347 E C 2.167 178.535 176.600 -0.388 0.000 0.994 347 E CA 1.184 57.496 56.400 -0.145 0.000 0.801 347 E CB 0.010 29.703 29.700 -0.011 0.000 0.743 347 E HN 0.239 nan 8.360 nan 0.000 0.453 348 R N -0.435 119.643 120.500 -0.703 0.000 2.073 348 R HA -0.120 4.222 4.340 0.003 0.000 0.234 348 R C 2.387 178.444 176.300 -0.404 0.000 1.134 348 R CA 1.607 57.123 56.100 -0.973 0.000 0.952 348 R CB -0.549 29.277 30.300 -0.789 0.000 0.850 348 R HN 0.254 nan 8.270 nan 0.000 0.433 349 G N 0.399 109.052 108.800 -0.245 0.000 2.432 349 G HA2 -0.223 3.739 3.960 0.003 0.000 0.219 349 G HA3 -0.223 3.739 3.960 0.003 0.000 0.219 349 G C 1.383 176.220 174.900 -0.104 0.000 1.135 349 G CA 0.274 45.292 45.100 -0.136 0.000 0.767 349 G HN 0.298 nan 8.290 nan 0.000 0.550 350 R N -0.658 119.775 120.500 -0.112 0.000 2.115 350 R HA 0.068 4.410 4.340 0.003 0.000 0.226 350 R C 2.398 178.668 176.300 -0.051 0.000 1.100 350 R CA 0.786 56.847 56.100 -0.066 0.000 0.980 350 R CB -0.476 29.791 30.300 -0.055 0.000 0.875 350 R HN 0.402 nan 8.270 nan 0.000 0.445 351 L N 0.924 122.101 121.223 -0.076 0.000 2.027 351 L HA -0.111 4.231 4.340 0.003 0.000 0.206 351 L C 2.066 178.939 176.870 0.005 0.000 1.074 351 L CA 1.566 56.396 54.840 -0.017 0.000 0.745 351 L CB -0.411 41.641 42.059 -0.011 0.000 0.898 351 L HN -0.156 nan 8.230 nan 0.000 0.433 352 V N 0.066 119.962 119.914 -0.031 0.000 2.407 352 V HA -0.299 3.822 4.120 0.003 0.000 0.248 352 V C 2.322 178.410 176.094 -0.010 0.000 1.055 352 V CA 1.958 64.249 62.300 -0.016 0.000 1.049 352 V CB -0.862 30.938 31.823 -0.039 0.000 0.662 352 V HN 0.581 nan 8.190 nan 0.000 0.455 353 D N -0.478 119.913 120.400 -0.016 0.000 2.144 353 D HA -0.178 4.464 4.640 0.003 0.000 0.200 353 D C 2.175 178.485 176.300 0.016 0.000 0.978 353 D CA 1.380 55.377 54.000 -0.004 0.000 0.833 353 D CB -0.108 40.686 40.800 -0.011 0.000 0.961 353 D HN 0.358 nan 8.370 nan 0.000 0.470 354 M N -0.700 118.912 119.600 0.021 0.000 2.159 354 M HA -0.116 4.365 4.480 0.003 0.000 0.263 354 M C 2.211 178.543 176.300 0.052 0.000 1.063 354 M CA 1.166 56.489 55.300 0.038 0.000 1.110 354 M CB -0.162 32.463 32.600 0.043 0.000 1.374 354 M HN 0.147 nan 8.290 nan 0.000 0.411 355 M N -0.389 119.240 119.600 0.048 0.000 2.117 355 M HA -0.162 4.319 4.480 0.003 0.000 0.262 355 M C 2.345 178.685 176.300 0.066 0.000 1.065 355 M CA 2.144 57.468 55.300 0.040 0.000 1.114 355 M CB -0.797 31.812 32.600 0.016 0.000 1.361 355 M HN 0.429 nan 8.290 nan 0.000 0.408 356 T N -2.084 112.498 114.554 0.047 0.000 2.821 356 T HA -0.135 4.216 4.350 0.003 0.000 0.267 356 T C 1.334 176.155 174.700 0.203 0.000 1.046 356 T CA 1.455 63.602 62.100 0.078 0.000 1.139 356 T CB -0.515 68.360 68.868 0.013 0.000 0.871 356 T HN 0.272 nan 8.240 nan 0.000 0.454 357 D N 1.541 122.011 120.400 0.117 0.000 2.144 357 D HA 0.013 4.654 4.640 0.003 0.000 0.200 357 D C 2.007 178.359 176.300 0.088 0.000 0.978 357 D CA 1.147 55.203 54.000 0.093 0.000 0.833 357 D CB -0.217 40.622 40.800 0.064 0.000 0.961 357 D HN 0.445 nan 8.370 nan 0.000 0.470 358 S N -0.131 115.632 115.700 0.106 0.000 2.540 358 S HA -0.040 4.431 4.470 0.003 0.000 0.218 358 S C 1.605 176.263 174.600 0.098 0.000 0.977 358 S CA -0.419 57.849 58.200 0.114 0.000 0.918 358 S CB -0.028 63.229 63.200 0.095 0.000 0.806 358 S HN 0.458 nan 8.310 nan 0.000 0.496 359 H N 1.833 120.912 119.070 0.016 0.000 2.422 359 H HA -0.089 4.469 4.556 0.003 0.000 0.298 359 H C 1.913 177.239 175.328 -0.004 0.000 1.098 359 H CA 1.836 57.882 56.048 -0.004 0.000 1.315 359 H CB -1.025 28.718 29.762 -0.033 0.000 1.382 359 H HN 0.475 nan 8.280 nan 0.000 0.523 360 T N -2.901 111.319 114.554 -0.557 0.000 2.951 360 T HA -0.121 4.231 4.350 0.003 0.000 0.268 360 T C 1.799 176.308 174.700 -0.319 0.000 1.073 360 T CA 0.742 62.531 62.100 -0.519 0.000 1.134 360 T CB -0.699 67.730 68.868 -0.731 0.000 0.884 360 T HN 0.530 nan 8.240 nan 0.000 0.479 361 W N 0.538 121.798 121.300 -0.067 0.000 2.640 361 W HA 0.447 5.107 4.660 0.001 0.000 0.268 361 W C 1.944 178.481 176.519 0.030 0.000 1.263 361 W CA -0.570 56.768 57.345 -0.011 0.000 1.344 361 W CB 0.046 29.492 29.460 -0.024 0.000 1.093 361 W HN 0.180 nan 8.180 nan 0.000 0.603 362 L N -0.912 120.450 121.223 0.232 0.000 2.307 362 L HA -0.020 4.321 4.340 0.003 0.000 0.211 362 L C 1.430 178.386 176.870 0.143 0.000 1.099 362 L CA 0.340 55.279 54.840 0.166 0.000 0.816 362 L CB -0.770 41.329 42.059 0.066 0.000 0.952 362 L HN -0.042 nan 8.230 nan 0.000 0.455 363 H N 1.122 120.222 119.070 0.050 0.000 3.157 363 H HA -0.023 4.534 4.556 0.003 0.000 0.299 363 H C 1.061 176.447 175.328 0.098 0.000 0.961 363 H CA 1.126 57.204 56.048 0.050 0.000 1.428 363 H CB 0.546 30.346 29.762 0.062 0.000 1.459 363 H HN 0.387 nan 8.280 nan 0.000 0.566 364 G N 4.827 113.464 108.800 -0.271 0.000 2.162 364 G HA2 -0.251 3.711 3.960 0.003 0.000 0.260 364 G HA3 -0.251 3.711 3.960 0.003 0.000 0.260 364 G C 0.268 175.168 174.900 0.000 0.000 0.976 364 G CA 0.107 45.136 45.100 -0.117 0.000 0.655 364 G HN 0.546 nan 8.290 nan 0.000 0.533 365 K N 0.632 121.061 120.400 0.048 0.000 2.401 365 K HA 0.300 4.622 4.320 0.003 0.000 0.278 365 K C 0.836 177.371 176.600 -0.108 0.000 1.018 365 K CA -0.043 56.237 56.287 -0.012 0.000 0.981 365 K CB 0.609 33.155 32.500 0.078 0.000 0.933 365 K HN 0.420 nan 8.250 nan 0.000 0.477 366 R N 2.388 122.714 120.500 -0.291 0.000 2.265 366 R HA 0.385 4.727 4.340 0.003 0.000 0.319 366 R C -0.589 175.445 176.300 -0.444 0.000 1.006 366 R CA -0.376 55.591 56.100 -0.222 0.000 0.880 366 R CB 0.601 30.812 30.300 -0.149 0.000 1.077 366 R HN 0.322 nan 8.270 nan 0.000 0.454 367 F N 0.755 120.740 119.950 0.059 0.000 2.551 367 F HA 0.577 5.106 4.527 0.002 0.000 0.316 367 F C 0.106 175.982 175.800 0.127 0.000 1.089 367 F CA -0.976 57.093 58.000 0.114 0.000 0.915 367 F CB 2.035 41.094 39.000 0.098 0.000 1.186 367 F HN 0.471 nan 8.300 nan 0.000 0.456 368 A N 4.484 127.539 122.820 0.391 0.000 2.317 368 A HA 0.938 5.260 4.320 0.003 0.000 0.327 368 A C -1.208 176.666 177.584 0.484 0.000 1.178 368 A CA -0.542 51.764 52.037 0.448 0.000 0.817 368 A CB 0.949 20.235 19.000 0.478 0.000 1.189 368 A HN 0.728 nan 8.150 nan 0.000 0.489 369 L N -1.000 120.522 121.223 0.498 0.000 2.540 369 L HA 0.965 5.307 4.340 0.003 0.000 0.256 369 L C -1.238 176.008 176.870 0.627 0.000 1.001 369 L CA -0.727 54.382 54.840 0.448 0.000 0.843 369 L CB 0.533 42.722 42.059 0.217 0.000 1.436 369 L HN 1.150 nan 8.230 nan 0.000 0.410 370 W N -0.131 121.337 121.300 0.281 0.000 3.018 370 W HA 0.912 5.574 4.660 0.003 0.000 0.352 370 W C -0.280 176.463 176.519 0.373 0.000 1.230 370 W CA -0.222 57.293 57.345 0.284 0.000 1.162 370 W CB 1.015 30.608 29.460 0.222 0.000 1.483 370 W HN 1.132 nan 8.180 nan 0.000 0.584 371 G N 0.231 109.373 108.800 0.570 0.000 2.340 371 G HA2 0.179 4.141 3.960 0.003 0.000 0.282 371 G HA3 0.179 4.141 3.960 0.003 0.000 0.282 371 G C -1.659 173.442 174.900 0.337 0.000 1.312 371 G CA -0.873 44.494 45.100 0.445 0.000 0.942 371 G HN 0.609 nan 8.290 nan 0.000 0.495 372 D N 0.805 121.377 120.400 0.287 0.000 2.357 372 D HA 0.383 5.024 4.640 0.003 0.000 0.242 372 D C -1.137 175.189 176.300 0.044 0.000 1.153 372 D CA -1.176 52.895 54.000 0.118 0.000 0.918 372 D CB 1.156 42.025 40.800 0.114 0.000 1.181 372 D HN -0.006 nan 8.370 nan 0.000 0.435 373 P HA -0.158 nan 4.420 nan 0.000 0.216 373 P C 0.743 178.078 177.300 0.059 0.000 1.157 373 P CA 1.369 64.068 63.100 -0.668 0.000 0.880 373 P CB 0.323 31.473 31.700 -0.918 0.000 0.791 374 D N -1.751 118.780 120.400 0.219 0.000 2.103 374 D HA -0.127 4.514 4.640 0.003 0.000 0.199 374 D C 1.852 178.351 176.300 0.332 0.000 0.978 374 D CA 0.901 55.105 54.000 0.340 0.000 0.829 374 D CB -0.692 40.267 40.800 0.265 0.000 0.981 374 D HN 0.121 nan 8.370 nan 0.000 0.464 375 F N 2.259 122.322 119.950 0.188 0.000 2.126 375 F HA -0.233 4.295 4.527 0.002 0.000 0.299 375 F C 2.143 178.059 175.800 0.193 0.000 1.096 375 F CA 1.131 59.228 58.000 0.163 0.000 1.255 375 F CB -0.413 38.676 39.000 0.148 0.000 0.997 375 F HN -0.256 nan 8.300 nan 0.000 0.479 376 V N 2.315 122.285 119.914 0.093 0.000 2.307 376 V HA -0.366 3.756 4.120 0.003 0.000 0.245 376 V C 2.616 178.794 176.094 0.140 0.000 1.045 376 V CA 2.289 64.629 62.300 0.066 0.000 1.024 376 V CB -0.816 31.223 31.823 0.359 0.000 0.651 376 V HN 0.622 nan 8.190 nan 0.000 0.449 377 M N 0.273 120.090 119.600 0.362 0.000 2.213 377 M HA 0.019 4.501 4.480 0.003 0.000 0.263 377 M C 2.052 178.500 176.300 0.246 0.000 1.062 377 M CA 2.384 57.861 55.300 0.294 0.000 1.105 377 M CB -1.152 31.664 32.600 0.360 0.000 1.385 377 M HN 0.206 nan 8.290 nan 0.000 0.417 378 G N 1.354 110.305 108.800 0.252 0.000 2.408 378 G HA2 -0.077 3.884 3.960 0.003 0.000 0.217 378 G HA3 -0.077 3.884 3.960 0.003 0.000 0.217 378 G C 1.582 176.406 174.900 -0.126 0.000 1.150 378 G CA 0.478 45.660 45.100 0.137 0.000 0.776 378 G HN 0.430 nan 8.290 nan 0.000 0.542 379 L N 0.315 121.400 121.223 -0.230 0.000 2.056 379 L HA -0.055 4.286 4.340 0.003 0.000 0.207 379 L C 2.990 179.755 176.870 -0.175 0.000 1.078 379 L CA 0.701 55.383 54.840 -0.264 0.000 0.749 379 L CB -0.172 41.599 42.059 -0.480 0.000 0.901 379 L HN 0.122 nan 8.230 nan 0.000 0.433 380 V N 0.049 119.884 119.914 -0.131 0.000 2.295 380 V HA -0.311 3.811 4.120 0.003 0.000 0.246 380 V C 2.510 178.504 176.094 -0.167 0.000 1.049 380 V CA 1.973 64.210 62.300 -0.104 0.000 1.024 380 V CB -0.471 31.326 31.823 -0.043 0.000 0.648 380 V HN 0.390 nan 8.190 nan 0.000 0.447 381 K N 0.034 120.276 120.400 -0.262 0.000 2.026 381 K HA -0.191 4.131 4.320 0.003 0.000 0.208 381 K C 1.931 178.354 176.600 -0.295 0.000 1.048 381 K CA 1.758 57.779 56.287 -0.443 0.000 0.929 381 K CB -0.645 31.181 32.500 -1.123 0.000 0.713 381 K HN 0.324 nan 8.250 nan 0.000 0.439 382 F N 0.945 120.657 119.950 -0.398 0.000 2.146 382 F HA -0.014 4.515 4.527 0.002 0.000 0.298 382 F C 1.585 177.223 175.800 -0.271 0.000 1.096 382 F CA 1.150 58.964 58.000 -0.310 0.000 1.275 382 F CB -0.390 38.448 39.000 -0.270 0.000 1.008 382 F HN -0.013 nan 8.300 nan 0.000 0.480 383 L N -0.462 120.562 121.223 -0.331 0.000 2.042 383 L HA -0.269 4.073 4.340 0.003 0.000 0.210 383 L C 2.510 179.172 176.870 -0.347 0.000 1.076 383 L CA 1.229 55.823 54.840 -0.411 0.000 0.749 383 L CB -0.811 41.064 42.059 -0.307 0.000 0.893 383 L HN 0.179 nan 8.230 nan 0.000 0.432 384 L N -0.598 120.475 121.223 -0.249 0.000 2.046 384 L HA -0.206 4.136 4.340 0.003 0.000 0.208 384 L C 2.447 179.148 176.870 -0.282 0.000 1.077 384 L CA 1.292 56.009 54.840 -0.206 0.000 0.747 384 L CB -0.555 41.443 42.059 -0.101 0.000 0.896 384 L HN 0.290 nan 8.230 nan 0.000 0.432 385 E N 0.250 120.290 120.200 -0.266 0.000 2.204 385 E HA -0.177 4.174 4.350 0.003 0.000 0.195 385 E C 2.119 178.530 176.600 -0.315 0.000 0.990 385 E CA 0.887 57.150 56.400 -0.228 0.000 0.821 385 E CB -0.053 29.575 29.700 -0.120 0.000 0.750 385 E HN 0.497 nan 8.360 nan 0.000 0.477 386 L N -0.482 120.457 121.223 -0.473 0.000 2.554 386 L HA 0.120 4.462 4.340 0.003 0.000 0.226 386 L C 1.268 177.902 176.870 -0.394 0.000 1.137 386 L CA 0.345 54.917 54.840 -0.447 0.000 0.863 386 L CB -0.121 41.582 42.059 -0.593 0.000 0.985 386 L HN 0.279 nan 8.230 nan 0.000 0.451 387 G N -0.284 108.147 108.800 -0.616 0.000 2.160 387 G HA2 -0.244 3.718 3.960 0.003 0.000 0.244 387 G HA3 -0.244 3.718 3.960 0.003 0.000 0.244 387 G C 0.117 174.521 174.900 -0.827 0.000 1.022 387 G CA 0.019 44.435 45.100 -1.140 0.000 0.741 387 G HN 0.344 nan 8.290 nan 0.000 0.508 388 C N -0.132 118.904 119.300 -0.440 0.000 2.349 388 C HA 0.719 5.181 4.460 0.003 0.000 0.361 388 C C 0.531 175.536 174.990 0.025 0.000 1.189 388 C CA -0.748 58.220 59.018 -0.083 0.000 2.155 388 C CB 1.489 29.263 27.740 0.056 0.000 2.336 388 C HN 0.538 nan 8.230 nan 0.000 0.540 389 E N 1.509 121.806 120.200 0.161 0.000 2.114 389 E HA 0.241 4.593 4.350 0.003 0.000 0.266 389 E C -2.525 174.175 176.600 0.166 0.000 0.896 389 E CA -1.378 55.109 56.400 0.145 0.000 0.750 389 E CB 1.205 30.965 29.700 0.099 0.000 1.121 389 E HN 0.382 nan 8.360 nan 0.000 0.413 390 P HA 0.042 nan 4.420 nan 0.000 0.231 390 P C 0.654 178.008 177.300 0.089 0.000 1.811 390 P CA -0.028 63.149 63.100 0.128 0.000 1.051 390 P CB 0.387 32.127 31.700 0.066 0.000 1.951 391 V N 0.752 120.683 119.914 0.027 0.000 2.343 391 V HA -0.151 3.971 4.120 0.003 0.000 0.247 391 V C 0.846 176.885 176.094 -0.092 0.000 1.051 391 V CA 1.656 63.878 62.300 -0.130 0.000 1.036 391 V CB -0.833 30.796 31.823 -0.322 0.000 0.654 391 V HN 0.511 nan 8.190 nan 0.000 0.451 392 H N -0.729 118.482 119.070 0.235 0.000 2.800 392 H HA 0.519 5.077 4.556 0.003 0.000 0.322 392 H C -0.719 174.814 175.328 0.342 0.000 0.979 392 H CA -0.706 55.535 56.048 0.321 0.000 1.277 392 H CB 1.153 31.056 29.762 0.236 0.000 1.484 392 H HN 0.203 nan 8.280 nan 0.000 0.512 393 I N 4.621 125.482 120.570 0.485 0.000 2.354 393 I HA 0.199 4.370 4.170 0.003 0.000 0.286 393 I C -0.345 176.081 176.117 0.516 0.000 1.007 393 I CA -0.397 61.153 61.300 0.416 0.000 1.167 393 I CB 1.603 39.770 38.000 0.279 0.000 1.320 393 I HN 0.226 nan 8.210 nan 0.000 0.458 394 L N 7.213 128.729 121.223 0.489 0.000 2.341 394 L HA 0.667 5.009 4.340 0.003 0.000 0.278 394 L C -1.139 175.964 176.870 0.388 0.000 1.005 394 L CA -0.175 54.923 54.840 0.430 0.000 0.818 394 L CB 1.722 43.955 42.059 0.291 0.000 1.259 394 L HN 0.746 nan 8.230 nan 0.000 0.418 395 C N 3.904 123.384 119.300 0.301 0.000 2.547 395 C HA 0.310 4.772 4.460 0.003 0.000 0.327 395 C C 1.247 176.328 174.990 0.152 0.000 1.076 395 C CA -0.487 58.614 59.018 0.139 0.000 1.390 395 C CB 0.043 27.646 27.740 -0.228 0.000 1.918 395 C HN 1.102 nan 8.230 nan 0.000 0.438 396 H N 3.697 122.809 119.070 0.070 0.000 2.387 396 H HA -0.095 4.463 4.556 0.003 0.000 0.299 396 H C 1.409 176.740 175.328 0.006 0.000 1.099 396 H CA 1.932 58.008 56.048 0.048 0.000 1.315 396 H CB 0.474 30.264 29.762 0.046 0.000 1.380 396 H HN 0.815 nan 8.280 nan 0.000 0.513 397 N N 0.451 119.164 118.700 0.022 0.000 2.279 397 N HA 0.084 4.826 4.740 0.003 0.000 0.226 397 N C 0.343 175.761 175.510 -0.153 0.000 1.126 397 N CA 0.247 53.237 53.050 -0.101 0.000 0.846 397 N CB 0.080 38.474 38.487 -0.156 0.000 1.050 397 N HN 0.177 nan 8.380 nan 0.000 0.502 398 G N 0.594 109.292 108.800 -0.171 0.000 2.562 398 G HA2 0.376 4.337 3.960 0.003 0.000 0.275 398 G HA3 0.376 4.337 3.960 0.003 0.000 0.275 398 G C -0.110 174.785 174.900 -0.009 0.000 1.196 398 G CA -0.512 44.424 45.100 -0.272 0.000 0.908 398 G HN 0.540 nan 8.290 nan 0.000 0.524 399 N N -1.820 116.932 118.700 0.086 0.000 2.577 399 N HA 0.281 5.023 4.740 0.003 0.000 0.285 399 N C 0.737 176.362 175.510 0.191 0.000 1.309 399 N CA -1.002 52.134 53.050 0.143 0.000 0.798 399 N CB 1.530 40.110 38.487 0.155 0.000 1.463 399 N HN 0.340 nan 8.380 nan 0.000 0.518 400 K N -0.087 120.403 120.400 0.150 0.000 2.074 400 K HA -0.098 4.224 4.320 0.003 0.000 0.209 400 K C 1.484 178.154 176.600 0.118 0.000 1.048 400 K CA 1.442 57.803 56.287 0.122 0.000 0.926 400 K CB -0.152 32.409 32.500 0.101 0.000 0.713 400 K HN 0.477 nan 8.250 nan 0.000 0.444 401 R N -0.677 119.929 120.500 0.175 0.000 2.090 401 R HA -0.140 4.202 4.340 0.003 0.000 0.228 401 R C 2.047 178.378 176.300 0.051 0.000 1.110 401 R CA 1.289 57.519 56.100 0.216 0.000 0.973 401 R CB -0.291 30.254 30.300 0.409 0.000 0.869 401 R HN 0.350 nan 8.270 nan 0.000 0.440 402 W N 2.516 123.577 121.300 -0.400 0.000 2.358 402 W HA -0.183 4.478 4.660 0.002 0.000 0.303 402 W C 2.098 178.351 176.519 -0.444 0.000 1.208 402 W CA 1.397 58.156 57.345 -0.978 0.000 1.274 402 W CB -0.030 28.911 29.460 -0.864 0.000 1.138 402 W HN -0.108 nan 8.180 nan 0.000 0.515 403 K N 0.608 120.919 120.400 -0.148 0.000 2.097 403 K HA -0.257 4.065 4.320 0.003 0.000 0.206 403 K C 2.088 178.528 176.600 -0.267 0.000 1.049 403 K CA 1.768 57.913 56.287 -0.236 0.000 0.933 403 K CB -0.264 32.249 32.500 0.021 0.000 0.717 403 K HN -0.076 nan 8.250 nan 0.000 0.442 404 K N 0.584 120.890 120.400 -0.156 0.000 2.026 404 K HA -0.043 4.279 4.320 0.003 0.000 0.208 404 K C 1.810 178.328 176.600 -0.138 0.000 1.048 404 K CA 1.514 57.743 56.287 -0.096 0.000 0.929 404 K CB -0.452 32.044 32.500 -0.007 0.000 0.713 404 K HN 0.280 nan 8.250 nan 0.000 0.439 405 A N -0.096 122.605 122.820 -0.198 0.000 1.877 405 A HA -0.128 4.194 4.320 0.003 0.000 0.216 405 A C 2.299 179.721 177.584 -0.271 0.000 1.186 405 A CA 1.970 53.902 52.037 -0.175 0.000 0.620 405 A CB -0.799 18.105 19.000 -0.160 0.000 0.822 405 A HN 0.112 nan 8.150 nan 0.000 0.443 406 V N 0.535 120.128 119.914 -0.535 0.000 2.358 406 V HA -0.205 3.916 4.120 0.003 0.000 0.246 406 V C 2.075 178.016 176.094 -0.256 0.000 1.047 406 V CA 2.109 64.131 62.300 -0.464 0.000 1.035 406 V CB -0.801 30.537 31.823 -0.809 0.000 0.658 406 V HN 0.481 nan 8.190 nan 0.000 0.452 407 D N 0.474 120.734 120.400 -0.232 0.000 2.178 407 D HA -0.115 4.526 4.640 0.003 0.000 0.201 407 D C 2.204 178.452 176.300 -0.088 0.000 0.980 407 D CA 1.558 55.475 54.000 -0.140 0.000 0.842 407 D CB -0.098 40.629 40.800 -0.123 0.000 0.948 407 D HN 0.458 nan 8.370 nan 0.000 0.472 408 A N 0.673 123.447 122.820 -0.077 0.000 1.898 408 A HA -0.106 4.216 4.320 0.003 0.000 0.216 408 A C 2.358 179.935 177.584 -0.012 0.000 1.181 408 A CA 0.678 52.696 52.037 -0.031 0.000 0.620 408 A CB -0.601 18.393 19.000 -0.010 0.000 0.819 408 A HN 0.163 nan 8.150 nan 0.000 0.442 409 I N -0.237 120.325 120.570 -0.013 0.000 2.226 409 I HA -0.271 3.900 4.170 0.003 0.000 0.245 409 I C 2.360 178.472 176.117 -0.007 0.000 1.100 409 I CA 1.145 62.458 61.300 0.021 0.000 1.374 409 I CB -0.276 37.751 38.000 0.045 0.000 1.057 409 I HN 0.299 nan 8.210 nan 0.000 0.413 410 L N 0.290 121.492 121.223 -0.036 0.000 2.056 410 L HA -0.176 4.166 4.340 0.003 0.000 0.207 410 L C 2.806 179.665 176.870 -0.020 0.000 1.078 410 L CA 1.254 56.076 54.840 -0.030 0.000 0.749 410 L CB -0.758 41.272 42.059 -0.048 0.000 0.901 410 L HN 0.226 nan 8.230 nan 0.000 0.433 411 A N 0.097 122.903 122.820 -0.024 0.000 2.024 411 A HA -0.126 4.196 4.320 0.003 0.000 0.220 411 A C 2.341 179.920 177.584 -0.008 0.000 1.164 411 A CA 1.579 53.604 52.037 -0.020 0.000 0.643 411 A CB -0.561 18.427 19.000 -0.020 0.000 0.806 411 A HN 0.407 nan 8.150 nan 0.000 0.451 412 A N -1.304 121.518 122.820 0.003 0.000 2.235 412 A HA 0.382 4.704 4.320 0.003 0.000 0.208 412 A C 1.094 178.689 177.584 0.019 0.000 1.172 412 A CA 0.943 52.988 52.037 0.014 0.000 0.786 412 A CB -0.288 18.730 19.000 0.029 0.000 0.804 412 A HN 0.500 nan 8.150 nan 0.000 0.479 413 S N -1.489 114.222 115.700 0.018 0.000 2.536 413 S HA 0.545 5.017 4.470 0.003 0.000 0.287 413 S C -2.413 172.184 174.600 -0.005 0.000 1.101 413 S CA -1.326 56.900 58.200 0.043 0.000 0.950 413 S CB 1.645 64.903 63.200 0.096 0.000 1.056 413 S HN -0.039 nan 8.310 nan 0.000 0.481 414 P HA -0.068 nan 4.420 nan 0.000 0.218 414 P C 0.221 177.334 177.300 -0.311 0.000 1.146 414 P CA 1.256 64.214 63.100 -0.237 0.000 0.813 414 P CB -0.059 31.424 31.700 -0.361 0.000 0.778 415 Y N -1.569 118.705 120.300 -0.044 0.000 2.546 415 Y HA 0.173 4.724 4.550 0.003 0.000 0.287 415 Y C 2.394 178.264 175.900 -0.049 0.000 1.158 415 Y CA 0.813 58.878 58.100 -0.057 0.000 1.307 415 Y CB -0.865 37.552 38.460 -0.072 0.000 1.036 415 Y HN -0.042 nan 8.280 nan 0.000 0.532 416 G N -0.962 107.870 108.800 0.054 0.000 3.042 416 G HA2 -0.058 3.904 3.960 0.003 0.000 0.212 416 G HA3 -0.058 3.904 3.960 0.003 0.000 0.212 416 G C 1.510 176.402 174.900 -0.014 0.000 1.166 416 G CA -0.018 45.092 45.100 0.017 0.000 0.767 416 G HN 0.117 nan 8.290 nan 0.000 0.546 417 K N 1.184 121.563 120.400 -0.035 0.000 2.152 417 K HA -0.014 4.307 4.320 0.003 0.000 0.206 417 K C 1.501 178.080 176.600 -0.035 0.000 1.048 417 K CA 0.839 57.099 56.287 -0.045 0.000 0.933 417 K CB 0.020 32.480 32.500 -0.066 0.000 0.721 417 K HN 0.278 nan 8.250 nan 0.000 0.447 418 N N -0.254 118.428 118.700 -0.029 0.000 2.238 418 N HA 0.144 4.885 4.740 0.003 0.000 0.222 418 N C -0.718 174.780 175.510 -0.020 0.000 1.133 418 N CA 0.013 53.048 53.050 -0.025 0.000 0.854 418 N CB 1.058 39.527 38.487 -0.030 0.000 1.041 418 N HN -0.003 nan 8.380 nan 0.000 0.510 419 A N 0.631 123.443 122.820 -0.014 0.000 2.306 419 A HA 0.686 5.008 4.320 0.003 0.000 0.314 419 A C -0.004 177.573 177.584 -0.012 0.000 1.164 419 A CA -0.038 52.000 52.037 0.001 0.000 0.822 419 A CB 0.866 19.870 19.000 0.007 0.000 1.130 419 A HN 0.015 nan 8.150 nan 0.000 0.496 420 T N 1.283 115.843 114.554 0.010 0.000 2.921 420 T HA 0.475 4.826 4.350 0.003 0.000 0.297 420 T C -0.648 173.913 174.700 -0.232 0.000 1.013 420 T CA -0.384 61.621 62.100 -0.159 0.000 0.990 420 T CB 1.435 70.165 68.868 -0.231 0.000 1.023 420 T HN 0.451 nan 8.240 nan 0.000 0.447 421 V N 3.685 123.428 119.914 -0.285 0.000 2.465 421 V HA 0.418 4.540 4.120 0.003 0.000 0.279 421 V C -1.083 174.841 176.094 -0.283 0.000 1.045 421 V CA -0.559 61.662 62.300 -0.131 0.000 0.938 421 V CB 0.307 32.069 31.823 -0.102 0.000 0.986 421 V HN 0.799 nan 8.190 nan 0.000 0.467 422 Y N 5.118 125.539 120.300 0.203 0.000 2.350 422 Y HA 0.686 5.238 4.550 0.003 0.000 0.338 422 Y C 0.265 176.286 175.900 0.202 0.000 0.961 422 Y CA -0.811 57.398 58.100 0.181 0.000 1.100 422 Y CB 1.625 40.192 38.460 0.179 0.000 1.179 422 Y HN 0.599 nan 8.280 nan 0.000 0.454 423 I N -0.973 119.768 120.570 0.285 0.000 2.603 423 I HA 0.890 5.061 4.170 0.003 0.000 0.300 423 I C 0.832 177.067 176.117 0.197 0.000 1.017 423 I CA -0.838 60.606 61.300 0.239 0.000 1.098 423 I CB 2.076 40.208 38.000 0.219 0.000 1.279 423 I HN 0.735 nan 8.210 nan 0.000 0.437 424 G N 3.044 111.977 108.800 0.220 0.000 2.205 424 G HA2 -0.205 3.757 3.960 0.003 0.000 0.261 424 G HA3 -0.205 3.757 3.960 0.003 0.000 0.261 424 G C 0.197 175.195 174.900 0.164 0.000 0.980 424 G CA -0.060 45.191 45.100 0.251 0.000 0.632 424 G HN 0.615 nan 8.290 nan 0.000 0.533 425 K N 1.340 121.763 120.400 0.038 0.000 2.087 425 K HA 0.595 4.916 4.320 0.003 0.000 0.255 425 K C 0.245 176.649 176.600 -0.326 0.000 0.988 425 K CA 0.019 56.237 56.287 -0.115 0.000 0.915 425 K CB 1.463 33.848 32.500 -0.191 0.000 1.043 425 K HN 0.536 nan 8.250 nan 0.000 0.457 426 D N -0.948 119.289 120.400 -0.272 0.000 2.650 426 D HA 0.222 4.864 4.640 0.003 0.000 0.255 426 D C 1.074 177.195 176.300 -0.299 0.000 1.135 426 D CA -0.737 52.983 54.000 -0.467 0.000 1.099 426 D CB 0.323 40.828 40.800 -0.491 0.000 1.273 426 D HN 0.224 nan 8.370 nan 0.000 0.628 427 L N -0.860 120.183 121.223 -0.300 0.000 2.291 427 L HA 0.019 4.360 4.340 0.003 0.000 0.214 427 L C 1.739 178.521 176.870 -0.147 0.000 1.120 427 L CA 0.489 55.141 54.840 -0.313 0.000 0.799 427 L CB -0.213 41.650 42.059 -0.326 0.000 0.925 427 L HN 0.484 nan 8.230 nan 0.000 0.446 428 W N 0.516 121.628 121.300 -0.312 0.000 2.518 428 W HA -0.114 4.548 4.660 0.003 0.000 0.273 428 W C 2.159 178.514 176.519 -0.274 0.000 1.247 428 W CA 0.982 58.172 57.345 -0.258 0.000 1.288 428 W CB -0.033 29.256 29.460 -0.285 0.000 1.107 428 W HN 0.304 nan 8.180 nan 0.000 0.586 429 H N -0.148 118.766 119.070 -0.260 0.000 2.326 429 H HA -0.215 4.343 4.556 0.003 0.000 0.301 429 H C 2.134 177.268 175.328 -0.323 0.000 1.081 429 H CA 1.856 57.603 56.048 -0.501 0.000 1.334 429 H CB -0.337 28.944 29.762 -0.802 0.000 1.385 429 H HN 0.017 nan 8.280 nan 0.000 0.504 430 L N 1.069 122.168 121.223 -0.207 0.000 2.083 430 L HA -0.148 4.194 4.340 0.003 0.000 0.209 430 L C 2.423 179.134 176.870 -0.264 0.000 1.083 430 L CA 1.428 56.119 54.840 -0.249 0.000 0.752 430 L CB -0.535 41.340 42.059 -0.306 0.000 0.899 430 L HN 0.115 nan 8.230 nan 0.000 0.433 431 R N -0.995 119.327 120.500 -0.296 0.000 2.112 431 R HA -0.204 4.138 4.340 0.003 0.000 0.242 431 R C 2.269 178.430 176.300 -0.231 0.000 1.137 431 R CA 2.073 57.976 56.100 -0.329 0.000 0.944 431 R CB -0.404 29.601 30.300 -0.492 0.000 0.857 431 R HN 0.425 nan 8.270 nan 0.000 0.435 432 S N 0.899 116.479 115.700 -0.200 0.000 2.370 432 S HA -0.128 4.344 4.470 0.003 0.000 0.226 432 S C 1.915 176.482 174.600 -0.055 0.000 1.033 432 S CA 1.310 59.488 58.200 -0.036 0.000 1.011 432 S CB -0.208 63.000 63.200 0.014 0.000 0.852 432 S HN 0.303 nan 8.310 nan 0.000 0.457 433 L N 1.471 122.587 121.223 -0.177 0.000 2.131 433 L HA -0.061 4.280 4.340 0.003 0.000 0.210 433 L C 2.261 178.929 176.870 -0.335 0.000 1.092 433 L CA 0.908 55.523 54.840 -0.375 0.000 0.759 433 L CB -0.744 40.856 42.059 -0.764 0.000 0.903 433 L HN 0.338 nan 8.230 nan 0.000 0.435 434 V N -5.657 114.100 119.914 -0.262 0.000 3.461 434 V HA -0.027 4.095 4.120 0.003 0.000 0.267 434 V C 1.892 177.864 176.094 -0.204 0.000 1.186 434 V CA 0.723 62.927 62.300 -0.160 0.000 1.154 434 V CB -0.636 31.078 31.823 -0.182 0.000 0.802 434 V HN 0.131 nan 8.190 nan 0.000 0.474 435 F N 2.393 122.278 119.950 -0.109 0.000 2.274 435 F HA 0.082 4.611 4.527 0.003 0.000 0.288 435 F C 2.805 178.545 175.800 -0.100 0.000 1.069 435 F CA 1.734 59.658 58.000 -0.126 0.000 1.343 435 F CB -0.773 38.090 39.000 -0.228 0.000 1.089 435 F HN 0.296 nan 8.300 nan 0.000 0.517 436 T N -3.320 111.295 114.554 0.101 0.000 2.942 436 T HA -0.067 4.284 4.350 0.003 0.000 0.265 436 T C 0.609 175.345 174.700 0.061 0.000 1.062 436 T CA 1.185 63.309 62.100 0.040 0.000 1.139 436 T CB -0.112 68.749 68.868 -0.011 0.000 0.883 436 T HN 0.012 nan 8.240 nan 0.000 0.468 437 D N 0.984 121.444 120.400 0.100 0.000 2.552 437 D HA 0.205 4.847 4.640 0.003 0.000 0.285 437 D C -0.695 175.728 176.300 0.205 0.000 1.206 437 D CA -0.542 53.551 54.000 0.155 0.000 0.826 437 D CB 0.360 41.307 40.800 0.244 0.000 1.179 437 D HN 0.283 nan 8.370 nan 0.000 0.508 438 K N 2.845 123.316 120.400 0.117 0.000 2.453 438 K HA 0.086 4.408 4.320 0.003 0.000 0.280 438 K C -2.134 174.488 176.600 0.036 0.000 1.045 438 K CA -0.696 55.637 56.287 0.076 0.000 1.059 438 K CB 0.595 33.139 32.500 0.072 0.000 0.901 438 K HN 0.229 nan 8.250 nan 0.000 0.475 439 P HA 0.125 nan 4.420 nan 0.000 0.293 439 P C -0.366 176.832 177.300 -0.170 0.000 1.304 439 P CA -0.298 62.763 63.100 -0.065 0.000 0.767 439 P CB 0.755 32.457 31.700 0.003 0.000 1.247 440 D N -1.351 118.876 120.400 -0.288 0.000 2.183 440 D HA 0.119 4.761 4.640 0.003 0.000 0.205 440 D C 0.233 176.031 176.300 -0.837 0.000 0.962 440 D CA 1.474 55.175 54.000 -0.499 0.000 0.849 440 D CB 0.048 40.610 40.800 -0.396 0.000 0.978 440 D HN 0.281 nan 8.370 nan 0.000 0.488 441 F N -0.826 118.976 119.950 -0.246 0.000 2.662 441 F HA 0.423 4.951 4.527 0.003 0.000 0.312 441 F C -0.268 175.602 175.800 0.117 0.000 1.113 441 F CA -0.960 57.009 58.000 -0.051 0.000 0.951 441 F CB 1.503 40.511 39.000 0.013 0.000 1.344 441 F HN -0.434 nan 8.300 nan 0.000 0.462 442 M N 2.700 122.537 119.600 0.395 0.000 2.436 442 M HA 0.576 5.058 4.480 0.003 0.000 0.331 442 M C -1.249 175.226 176.300 0.292 0.000 1.135 442 M CA -0.469 55.061 55.300 0.384 0.000 0.987 442 M CB 2.211 35.060 32.600 0.415 0.000 1.687 442 M HN 0.355 nan 8.290 nan 0.000 0.445 443 I N 2.057 122.725 120.570 0.162 0.000 2.382 443 I HA 0.732 4.903 4.170 0.003 0.000 0.285 443 I C 0.196 176.064 176.117 -0.415 0.000 1.007 443 I CA -0.264 61.021 61.300 -0.025 0.000 1.142 443 I CB 1.556 39.559 38.000 0.004 0.000 1.289 443 I HN 0.879 nan 8.210 nan 0.000 0.453 444 G N 4.630 113.059 108.800 -0.619 0.000 2.561 444 G HA2 0.270 4.232 3.960 0.003 0.000 0.310 444 G HA3 0.270 4.232 3.960 0.003 0.000 0.310 444 G C -1.522 173.018 174.900 -0.601 0.000 1.292 444 G CA -0.640 43.660 45.100 -1.333 0.000 0.811 444 G HN 0.546 nan 8.290 nan 0.000 0.482 445 N N -1.119 117.313 118.700 -0.447 0.000 2.476 445 N HA 0.331 5.072 4.740 0.003 0.000 0.287 445 N C 1.164 176.646 175.510 -0.048 0.000 1.262 445 N CA 0.242 53.186 53.050 -0.177 0.000 0.980 445 N CB 0.747 39.140 38.487 -0.157 0.000 1.163 445 N HN 0.227 nan 8.380 nan 0.000 0.592 446 S N -1.328 114.226 115.700 -0.244 0.000 2.442 446 S HA -0.083 4.389 4.470 0.003 0.000 0.236 446 S C 1.157 175.700 174.600 -0.094 0.000 1.007 446 S CA 0.672 58.742 58.200 -0.217 0.000 0.965 446 S CB -0.716 62.282 63.200 -0.337 0.000 0.773 446 S HN 0.508 nan 8.310 nan 0.000 0.504 447 Y N 1.766 122.164 120.300 0.164 0.000 2.403 447 Y HA 0.009 4.561 4.550 0.003 0.000 0.291 447 Y C 2.515 178.614 175.900 0.331 0.000 1.143 447 Y CA 0.130 58.417 58.100 0.312 0.000 1.257 447 Y CB -1.211 37.414 38.460 0.275 0.000 0.984 447 Y HN 0.322 nan 8.280 nan 0.000 0.550 448 G N 0.781 109.915 108.800 0.557 0.000 2.470 448 G HA2 -0.280 3.682 3.960 0.003 0.000 0.220 448 G HA3 -0.280 3.682 3.960 0.003 0.000 0.220 448 G C 1.725 176.769 174.900 0.240 0.000 1.121 448 G CA 0.983 46.409 45.100 0.542 0.000 0.766 448 G HN 0.549 nan 8.290 nan 0.000 0.553 449 K N -0.398 120.011 120.400 0.016 0.000 2.147 449 K HA -0.042 4.280 4.320 0.003 0.000 0.205 449 K C 1.877 178.380 176.600 -0.161 0.000 1.049 449 K CA 1.160 57.344 56.287 -0.171 0.000 0.936 449 K CB -0.497 31.756 32.500 -0.412 0.000 0.722 449 K HN 0.270 nan 8.250 nan 0.000 0.446 450 F N 1.816 121.856 119.950 0.149 0.000 2.325 450 F HA 0.076 4.605 4.527 0.003 0.000 0.299 450 F C 2.102 177.974 175.800 0.119 0.000 1.090 450 F CA 0.482 58.562 58.000 0.134 0.000 1.392 450 F CB -0.281 38.812 39.000 0.155 0.000 1.053 450 F HN -0.084 nan 8.300 nan 0.000 0.521 451 I N -0.452 120.264 120.570 0.243 0.000 2.286 451 I HA -0.260 3.912 4.170 0.003 0.000 0.245 451 I C 2.550 178.701 176.117 0.057 0.000 1.104 451 I CA 1.152 62.513 61.300 0.102 0.000 1.397 451 I CB -0.604 37.411 38.000 0.025 0.000 1.072 451 I HN 0.157 nan 8.210 nan 0.000 0.417 452 Q N 1.287 121.132 119.800 0.074 0.000 2.096 452 Q HA -0.265 4.076 4.340 0.003 0.000 0.204 452 Q C 2.494 178.538 176.000 0.073 0.000 0.982 452 Q CA 1.573 57.406 55.803 0.049 0.000 0.850 452 Q CB -0.108 28.660 28.738 0.051 0.000 0.901 452 Q HN 0.247 nan 8.270 nan 0.000 0.422 453 R N 0.525 121.085 120.500 0.099 0.000 2.083 453 R HA -0.171 4.170 4.340 0.003 0.000 0.237 453 R C 1.362 177.776 176.300 0.190 0.000 1.137 453 R CA 2.081 58.256 56.100 0.126 0.000 0.951 453 R CB -0.479 29.910 30.300 0.148 0.000 0.851 453 R HN 0.425 nan 8.270 nan 0.000 0.434 454 D N -0.458 120.092 120.400 0.249 0.000 2.117 454 D HA -0.117 4.525 4.640 0.003 0.000 0.198 454 D C 1.883 178.502 176.300 0.532 0.000 0.982 454 D CA 2.156 56.415 54.000 0.432 0.000 0.828 454 D CB -0.449 40.622 40.800 0.452 0.000 0.967 454 D HN 0.468 nan 8.370 nan 0.000 0.464 455 T N -0.260 114.409 114.554 0.192 0.000 2.821 455 T HA -0.143 4.208 4.350 0.003 0.000 0.267 455 T C 2.027 176.905 174.700 0.298 0.000 1.046 455 T CA 0.617 62.794 62.100 0.129 0.000 1.139 455 T CB -0.545 68.223 68.868 -0.167 0.000 0.871 455 T HN 0.044 nan 8.240 nan 0.000 0.454 456 L N 1.010 122.361 121.223 0.213 0.000 2.131 456 L HA -0.036 4.305 4.340 0.003 0.000 0.210 456 L C 2.451 179.458 176.870 0.228 0.000 1.092 456 L CA 1.733 56.685 54.840 0.186 0.000 0.759 456 L CB -1.056 41.073 42.059 0.117 0.000 0.903 456 L HN 0.485 nan 8.230 nan 0.000 0.435 457 H N -0.522 118.628 119.070 0.134 0.000 2.423 457 H HA -0.177 4.381 4.556 0.003 0.000 0.297 457 H C 2.119 177.483 175.328 0.060 0.000 1.075 457 H CA 1.498 57.528 56.048 -0.030 0.000 1.342 457 H CB 0.396 29.976 29.762 -0.304 0.000 1.395 457 H HN 0.379 nan 8.280 nan 0.000 0.530 458 K N 0.146 120.753 120.400 0.345 0.000 2.148 458 K HA 0.005 4.327 4.320 0.003 0.000 0.204 458 K C 0.183 177.015 176.600 0.386 0.000 1.050 458 K CA 0.925 57.423 56.287 0.352 0.000 0.942 458 K CB 0.245 32.935 32.500 0.316 0.000 0.724 458 K HN 0.437 nan 8.250 nan 0.000 0.446 459 G N -0.056 109.014 108.800 0.450 0.000 2.352 459 G HA2 -0.041 3.920 3.960 0.003 0.000 0.303 459 G HA3 -0.041 3.920 3.960 0.003 0.000 0.303 459 G C -0.673 174.337 174.900 0.184 0.000 1.593 459 G CA -0.337 44.960 45.100 0.329 0.000 0.963 459 G HN -0.040 nan 8.290 nan 0.000 0.685 460 K N 0.627 121.044 120.400 0.028 0.000 2.103 460 K HA -0.107 4.215 4.320 0.003 0.000 0.207 460 K C 2.248 178.776 176.600 -0.120 0.000 1.048 460 K CA 2.554 58.825 56.287 -0.027 0.000 0.930 460 K CB 0.021 32.498 32.500 -0.038 0.000 0.716 460 K HN 0.633 nan 8.250 nan 0.000 0.444 461 E N -0.487 119.537 120.200 -0.294 0.000 2.418 461 E HA -0.154 4.197 4.350 0.003 0.000 0.197 461 E C 0.935 177.246 176.600 -0.481 0.000 1.026 461 E CA 0.847 56.986 56.400 -0.434 0.000 0.862 461 E CB -0.292 29.056 29.700 -0.586 0.000 0.799 461 E HN 0.394 nan 8.360 nan 0.000 0.518 462 F N 1.532 121.492 119.950 0.015 0.000 2.749 462 F HA 0.261 4.790 4.527 0.003 0.000 0.300 462 F C 1.088 176.876 175.800 -0.020 0.000 1.103 462 F CA -0.550 57.465 58.000 0.026 0.000 1.342 462 F CB 0.002 39.073 39.000 0.118 0.000 1.098 462 F HN -0.068 nan 8.300 nan 0.000 0.586 463 E N 1.648 121.900 120.200 0.087 0.000 2.415 463 E HA 0.198 4.550 4.350 0.003 0.000 0.263 463 E C -0.869 175.688 176.600 -0.071 0.000 0.995 463 E CA -0.079 56.335 56.400 0.022 0.000 0.915 463 E CB 0.808 30.515 29.700 0.010 0.000 0.951 463 E HN -0.084 nan 8.360 nan 0.000 0.449 464 V N 7.565 127.429 119.914 -0.083 0.000 2.313 464 V HA 0.268 4.389 4.120 0.003 0.000 0.278 464 V C -2.218 173.841 176.094 -0.059 0.000 1.017 464 V CA -1.940 60.281 62.300 -0.132 0.000 0.823 464 V CB 1.113 32.875 31.823 -0.101 0.000 1.010 464 V HN 0.737 nan 8.190 nan 0.000 0.443 465 P HA 0.149 nan 4.420 nan 0.000 0.268 465 P C -0.543 176.900 177.300 0.238 0.000 1.204 465 P CA -0.283 62.887 63.100 0.117 0.000 0.768 465 P CB 0.667 32.501 31.700 0.223 0.000 0.842 466 L N 4.821 126.154 121.223 0.182 0.000 2.305 466 L HA 0.378 4.720 4.340 0.003 0.000 0.281 466 L C -0.642 176.316 176.870 0.146 0.000 1.085 466 L CA 0.011 54.957 54.840 0.176 0.000 0.813 466 L CB 0.104 42.241 42.059 0.129 0.000 1.157 466 L HN 0.259 nan 8.230 nan 0.000 0.436 467 I N 5.692 126.338 120.570 0.127 0.000 2.359 467 I HA 0.347 4.518 4.170 0.003 0.000 0.284 467 I C 0.030 176.150 176.117 0.005 0.000 1.018 467 I CA -0.568 60.767 61.300 0.058 0.000 1.173 467 I CB 0.687 38.720 38.000 0.055 0.000 1.326 467 I HN 0.532 nan 8.210 nan 0.000 0.462 468 R N 7.249 127.747 120.500 -0.004 0.000 2.357 468 R HA 0.441 4.783 4.340 0.003 0.000 0.330 468 R C -0.766 175.541 176.300 0.011 0.000 1.102 468 R CA 0.329 56.413 56.100 -0.027 0.000 0.974 468 R CB 0.023 30.309 30.300 -0.023 0.000 1.002 468 R HN 0.548 nan 8.270 nan 0.000 0.463 469 I N 2.042 122.615 120.570 0.005 0.000 2.512 469 I HA 0.555 4.727 4.170 0.003 0.000 0.287 469 I C 0.516 176.641 176.117 0.013 0.000 1.069 469 I CA -0.524 60.847 61.300 0.118 0.000 1.056 469 I CB 2.124 40.227 38.000 0.173 0.000 1.229 469 I HN 0.805 nan 8.210 nan 0.000 0.429 470 G N 5.270 114.053 108.800 -0.029 0.000 2.302 470 G HA2 0.196 4.157 3.960 0.003 0.000 0.264 470 G HA3 0.196 4.157 3.960 0.003 0.000 0.264 470 G C -2.183 172.582 174.900 -0.225 0.000 1.335 470 G CA -0.661 44.220 45.100 -0.365 0.000 0.982 470 G HN 0.445 nan 8.290 nan 0.000 0.473 471 F N 2.157 121.866 119.950 -0.402 0.000 2.596 471 F HA 0.749 5.277 4.527 0.002 0.000 0.311 471 F C -2.352 173.216 175.800 -0.386 0.000 1.116 471 F CA -1.944 55.759 58.000 -0.496 0.000 0.957 471 F CB 2.621 41.364 39.000 -0.428 0.000 1.250 471 F HN 0.460 nan 8.300 nan 0.000 0.444 472 P HA 0.385 nan 4.420 nan 0.000 0.282 472 P C -0.911 175.753 177.300 -1.059 0.000 1.249 472 P CA -0.113 61.897 63.100 -1.816 0.000 0.806 472 P CB 2.005 32.044 31.700 -2.768 0.000 0.984 473 I N 3.326 123.591 120.570 -0.509 0.000 2.390 473 I HA 0.188 4.360 4.170 0.003 0.000 0.283 473 I C 0.285 176.303 176.117 -0.165 0.000 1.016 473 I CA -0.450 60.673 61.300 -0.296 0.000 1.151 473 I CB 0.738 38.675 38.000 -0.105 0.000 1.293 473 I HN 0.205 nan 8.210 nan 0.000 0.458 474 F N 2.654 122.467 119.950 -0.228 0.000 2.727 474 F HA 0.065 4.594 4.527 0.002 0.000 0.302 474 F C 1.752 177.469 175.800 -0.138 0.000 1.107 474 F CA -0.203 57.670 58.000 -0.210 0.000 1.277 474 F CB -0.032 38.823 39.000 -0.242 0.000 1.079 474 F HN 0.483 nan 8.300 nan 0.000 0.594 475 D N -0.883 119.554 120.400 0.062 0.000 2.395 475 D HA 0.096 4.737 4.640 0.003 0.000 0.213 475 D C 0.515 176.850 176.300 0.058 0.000 1.110 475 D CA 0.240 54.267 54.000 0.045 0.000 0.835 475 D CB 0.320 41.114 40.800 -0.010 0.000 0.965 475 D HN -0.059 nan 8.370 nan 0.000 0.505 476 R N 0.009 120.547 120.500 0.063 0.000 2.795 476 R HA 0.406 4.748 4.340 0.003 0.000 0.275 476 R C -0.564 175.808 176.300 0.120 0.000 0.981 476 R CA -0.585 55.565 56.100 0.084 0.000 0.917 476 R CB 1.249 31.565 30.300 0.028 0.000 1.202 476 R HN 0.232 nan 8.270 nan 0.000 0.469 477 H N 1.940 120.933 119.070 -0.129 0.000 2.458 477 H HA 0.222 4.780 4.556 0.003 0.000 0.330 477 H C -0.035 175.132 175.328 -0.268 0.000 1.111 477 H CA -0.463 55.394 56.048 -0.319 0.000 1.245 477 H CB 1.090 30.615 29.762 -0.395 0.000 1.456 477 H HN 0.624 nan 8.280 nan 0.000 0.488 478 H N 1.308 120.469 119.070 0.150 0.000 3.179 478 H HA -0.174 4.383 4.556 0.003 0.000 0.250 478 H C 1.211 176.470 175.328 -0.116 0.000 1.142 478 H CA 0.594 56.644 56.048 0.003 0.000 1.165 478 H CB -1.377 28.389 29.762 0.007 0.000 1.253 478 H HN 0.659 nan 8.280 nan 0.000 0.325 479 L N 1.096 122.339 121.223 0.034 0.000 2.465 479 L HA -0.096 4.245 4.340 0.003 0.000 0.224 479 L C 2.693 179.624 176.870 0.102 0.000 1.145 479 L CA 1.244 56.125 54.840 0.069 0.000 0.834 479 L CB -0.457 41.657 42.059 0.092 0.000 0.944 479 L HN 0.497 nan 8.230 nan 0.000 0.451 480 H N 0.186 119.222 119.070 -0.056 0.000 2.545 480 H HA -0.069 4.489 4.556 0.003 0.000 0.282 480 H C 1.534 176.982 175.328 0.200 0.000 1.020 480 H CA 0.452 56.436 56.048 -0.107 0.000 1.243 480 H CB -0.224 29.285 29.762 -0.421 0.000 1.377 480 H HN 0.388 nan 8.280 nan 0.000 0.581 481 R N 0.998 121.341 120.500 -0.262 0.000 2.299 481 R HA 0.127 4.468 4.340 0.003 0.000 0.197 481 R C 0.641 176.982 176.300 0.069 0.000 0.971 481 R CA 0.029 56.075 56.100 -0.089 0.000 1.030 481 R CB 0.362 30.560 30.300 -0.171 0.000 0.932 481 R HN 0.117 nan 8.270 nan 0.000 0.477 482 S N 0.480 116.270 115.700 0.150 0.000 2.617 482 S HA 0.125 4.596 4.470 0.003 0.000 0.255 482 S C 0.369 174.950 174.600 -0.032 0.000 1.318 482 S CA 0.051 58.283 58.200 0.054 0.000 0.978 482 S CB 0.986 64.199 63.200 0.021 0.000 0.961 482 S HN 0.067 nan 8.310 nan 0.000 0.582 483 T N 0.784 115.226 114.554 -0.186 0.000 2.881 483 T HA 0.480 4.831 4.350 0.003 0.000 0.290 483 T C 0.687 175.184 174.700 -0.337 0.000 1.000 483 T CA -0.725 61.242 62.100 -0.221 0.000 0.978 483 T CB 1.590 70.378 68.868 -0.133 0.000 0.997 483 T HN 0.710 nan 8.240 nan 0.000 0.443 484 T N 0.162 114.491 114.554 -0.375 0.000 3.003 484 T HA 0.407 4.758 4.350 0.003 0.000 0.261 484 T C 0.541 175.100 174.700 -0.235 0.000 1.003 484 T CA -0.187 61.735 62.100 -0.297 0.000 0.917 484 T CB -0.026 68.693 68.868 -0.249 0.000 1.084 484 T HN 0.357 nan 8.240 nan 0.000 0.522 485 L N 1.305 122.388 121.223 -0.233 0.000 2.387 485 L HA 0.676 5.018 4.340 0.003 0.000 0.266 485 L C 1.332 178.030 176.870 -0.288 0.000 1.059 485 L CA -0.190 54.498 54.840 -0.254 0.000 0.801 485 L CB 0.602 42.499 42.059 -0.270 0.000 1.223 485 L HN 0.517 nan 8.230 nan 0.000 0.456 486 G N -0.274 108.315 108.800 -0.352 0.000 2.749 486 G HA2 -0.324 3.638 3.960 0.003 0.000 0.242 486 G HA3 -0.324 3.638 3.960 0.003 0.000 0.242 486 G C -0.062 174.621 174.900 -0.361 0.000 1.364 486 G CA 0.414 45.261 45.100 -0.423 0.000 0.888 486 G HN 0.568 nan 8.290 nan 0.000 0.566 487 Y N 0.094 120.312 120.300 -0.137 0.000 2.293 487 Y HA 0.055 4.607 4.550 0.003 0.000 0.291 487 Y C 2.800 178.615 175.900 -0.141 0.000 1.137 487 Y CA 1.775 59.794 58.100 -0.135 0.000 1.202 487 Y CB -0.455 37.962 38.460 -0.072 0.000 0.990 487 Y HN 0.779 nan 8.280 nan 0.000 0.537 488 E N 0.009 120.218 120.200 0.015 0.000 2.038 488 E HA -0.175 4.177 4.350 0.003 0.000 0.195 488 E C 2.580 179.123 176.600 -0.096 0.000 1.000 488 E CA 1.308 57.690 56.400 -0.030 0.000 0.803 488 E CB -0.552 29.123 29.700 -0.041 0.000 0.750 488 E HN 0.471 nan 8.360 nan 0.000 0.448 489 G N 0.392 109.095 108.800 -0.162 0.000 2.422 489 G HA2 -0.246 3.715 3.960 0.003 0.000 0.218 489 G HA3 -0.246 3.715 3.960 0.003 0.000 0.218 489 G C 1.624 176.366 174.900 -0.263 0.000 1.146 489 G CA 0.907 45.879 45.100 -0.213 0.000 0.769 489 G HN 0.421 nan 8.290 nan 0.000 0.547 490 A N 0.513 123.115 122.820 -0.364 0.000 1.930 490 A HA 0.076 4.398 4.320 0.003 0.000 0.217 490 A C 2.445 179.915 177.584 -0.190 0.000 1.175 490 A CA 1.671 53.326 52.037 -0.637 0.000 0.627 490 A CB -0.329 18.185 19.000 -0.810 0.000 0.815 490 A HN 0.383 nan 8.150 nan 0.000 0.443 491 M N -0.969 118.587 119.600 -0.073 0.000 2.086 491 M HA -0.232 4.249 4.480 0.003 0.000 0.261 491 M C 2.498 178.801 176.300 0.005 0.000 1.067 491 M CA 1.759 57.065 55.300 0.010 0.000 1.116 491 M CB -0.429 32.174 32.600 0.004 0.000 1.348 491 M HN 0.494 nan 8.290 nan 0.000 0.407 492 Q N 0.238 120.015 119.800 -0.039 0.000 2.050 492 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 492 Q C 2.024 178.009 176.000 -0.025 0.000 0.980 492 Q CA 1.466 57.244 55.803 -0.042 0.000 0.840 492 Q CB -0.233 28.459 28.738 -0.077 0.000 0.898 492 Q HN 0.550 nan 8.270 nan 0.000 0.424 493 I N 0.782 121.341 120.570 -0.018 0.000 2.179 493 I HA -0.280 3.892 4.170 0.003 0.000 0.242 493 I C 2.362 178.527 176.117 0.080 0.000 1.088 493 I CA 0.606 61.926 61.300 0.033 0.000 1.357 493 I CB -0.426 37.625 38.000 0.084 0.000 1.051 493 I HN 0.301 nan 8.210 nan 0.000 0.409 494 L N 0.923 122.263 121.223 0.195 0.000 1.997 494 L HA -0.264 4.078 4.340 0.003 0.000 0.216 494 L C 2.485 179.366 176.870 0.018 0.000 1.074 494 L CA 2.506 57.409 54.840 0.105 0.000 0.763 494 L CB -1.600 40.566 42.059 0.179 0.000 0.890 494 L HN 0.274 nan 8.230 nan 0.000 0.434 495 T N -0.258 114.306 114.554 0.017 0.000 2.684 495 T HA -0.168 4.184 4.350 0.003 0.000 0.267 495 T C 1.796 176.472 174.700 -0.040 0.000 1.036 495 T CA 2.096 64.189 62.100 -0.012 0.000 1.148 495 T CB -0.516 68.346 68.868 -0.009 0.000 0.863 495 T HN 0.466 nan 8.240 nan 0.000 0.436 496 T N 2.538 117.066 114.554 -0.043 0.000 2.746 496 T HA 0.022 4.373 4.350 0.003 0.000 0.267 496 T C 2.004 176.640 174.700 -0.105 0.000 1.039 496 T CA 0.913 62.974 62.100 -0.065 0.000 1.142 496 T CB -0.481 68.356 68.868 -0.052 0.000 0.866 496 T HN 0.249 nan 8.240 nan 0.000 0.444 497 L N 0.727 121.883 121.223 -0.111 0.000 1.976 497 L HA -0.090 4.251 4.340 0.003 0.000 0.209 497 L C 2.734 179.518 176.870 -0.144 0.000 1.071 497 L CA 1.100 55.850 54.840 -0.150 0.000 0.746 497 L CB -0.915 41.046 42.059 -0.163 0.000 0.890 497 L HN 0.143 nan 8.230 nan 0.000 0.432 498 V N 0.108 119.970 119.914 -0.086 0.000 2.332 498 V HA -0.304 3.818 4.120 0.003 0.000 0.248 498 V C 1.940 177.947 176.094 -0.145 0.000 1.055 498 V CA 2.281 64.539 62.300 -0.071 0.000 1.038 498 V CB -0.926 30.884 31.823 -0.020 0.000 0.651 498 V HN 0.505 nan 8.190 nan 0.000 0.450 499 N N -0.251 118.369 118.700 -0.133 0.000 2.331 499 N HA -0.107 4.635 4.740 0.003 0.000 0.180 499 N C 1.986 177.400 175.510 -0.160 0.000 1.019 499 N CA 1.065 54.029 53.050 -0.143 0.000 0.881 499 N CB -0.080 38.347 38.487 -0.099 0.000 0.972 499 N HN 0.345 nan 8.380 nan 0.000 0.435 500 S N 0.877 116.454 115.700 -0.205 0.000 2.383 500 S HA -0.009 4.463 4.470 0.003 0.000 0.227 500 S C 1.907 176.336 174.600 -0.286 0.000 1.026 500 S CA 0.676 58.722 58.200 -0.257 0.000 0.981 500 S CB -0.070 62.883 63.200 -0.413 0.000 0.818 500 S HN 0.252 nan 8.310 nan 0.000 0.472 501 I N 1.314 121.671 120.570 -0.355 0.000 2.179 501 I HA -0.170 4.001 4.170 0.003 0.000 0.242 501 I C 1.976 178.025 176.117 -0.113 0.000 1.088 501 I CA 1.146 62.381 61.300 -0.108 0.000 1.357 501 I CB -0.299 37.663 38.000 -0.064 0.000 1.051 501 I HN 0.229 nan 8.210 nan 0.000 0.409 502 L N -0.022 121.042 121.223 -0.266 0.000 2.217 502 L HA -0.144 4.198 4.340 0.003 0.000 0.211 502 L C 2.594 179.344 176.870 -0.200 0.000 1.107 502 L CA 0.822 55.446 54.840 -0.360 0.000 0.783 502 L CB -0.488 41.312 42.059 -0.431 0.000 0.919 502 L HN 0.263 nan 8.230 nan 0.000 0.442 503 E N 0.593 120.724 120.200 -0.115 0.000 2.107 503 E HA -0.215 4.137 4.350 0.003 0.000 0.191 503 E C 2.203 178.800 176.600 -0.004 0.000 0.982 503 E CA 0.908 57.276 56.400 -0.053 0.000 0.809 503 E CB 0.136 29.819 29.700 -0.028 0.000 0.756 503 E HN 0.169 nan 8.360 nan 0.000 0.459 504 R N 0.746 121.280 120.500 0.056 0.000 2.081 504 R HA -0.006 4.336 4.340 0.003 0.000 0.235 504 R C 2.516 178.829 176.300 0.021 0.000 1.131 504 R CA 0.934 57.087 56.100 0.088 0.000 0.960 504 R CB -0.886 29.556 30.300 0.238 0.000 0.856 504 R HN 0.224 nan 8.270 nan 0.000 0.436 505 L N 0.160 121.371 121.223 -0.020 0.000 2.017 505 L HA -0.209 4.133 4.340 0.003 0.000 0.208 505 L C 1.430 178.285 176.870 -0.025 0.000 1.073 505 L CA 1.910 56.720 54.840 -0.050 0.000 0.745 505 L CB -0.471 41.498 42.059 -0.151 0.000 0.894 505 L HN 0.263 nan 8.230 nan 0.000 0.432 506 D N -0.328 120.055 120.400 -0.028 0.000 2.149 506 D HA -0.255 4.387 4.640 0.003 0.000 0.198 506 D C 2.000 178.367 176.300 0.113 0.000 0.990 506 D CA 1.205 55.254 54.000 0.081 0.000 0.839 506 D CB 0.046 40.865 40.800 0.031 0.000 0.948 506 D HN 0.391 nan 8.370 nan 0.000 0.460 507 E N 0.522 120.743 120.200 0.035 0.000 2.077 507 E HA -0.179 4.173 4.350 0.003 0.000 0.193 507 E C 1.665 178.249 176.600 -0.027 0.000 0.989 507 E CA 0.887 57.290 56.400 0.004 0.000 0.800 507 E CB 0.106 29.807 29.700 0.002 0.000 0.746 507 E HN 0.320 nan 8.360 nan 0.000 0.452 508 E N -0.586 119.598 120.200 -0.026 0.000 2.274 508 E HA -0.093 4.259 4.350 0.003 0.000 0.194 508 E C 1.286 177.840 176.600 -0.076 0.000 0.996 508 E CA 1.375 57.745 56.400 -0.050 0.000 0.840 508 E CB 0.186 29.860 29.700 -0.044 0.000 0.772 508 E HN 0.294 nan 8.360 nan 0.000 0.491 509 T N -2.105 112.415 114.554 -0.056 0.000 3.214 509 T HA 0.250 4.601 4.350 0.003 0.000 0.264 509 T C 1.141 175.679 174.700 -0.270 0.000 1.012 509 T CA -0.429 61.603 62.100 -0.113 0.000 0.901 509 T CB 0.313 69.162 68.868 -0.031 0.000 1.070 509 T HN -0.100 nan 8.240 nan 0.000 0.561 510 R N 1.082 121.397 120.500 -0.309 0.000 2.297 510 R HA 0.307 4.648 4.340 0.003 0.000 0.197 510 R C 1.248 177.358 176.300 -0.317 0.000 0.943 510 R CA 0.071 55.861 56.100 -0.517 0.000 1.038 510 R CB -0.319 29.815 30.300 -0.277 0.000 0.957 510 R HN 0.461 nan 8.270 nan 0.000 0.484 511 G N 1.137 109.818 108.800 -0.199 0.000 2.356 511 G HA2 0.163 4.125 3.960 0.003 0.000 0.273 511 G HA3 0.163 4.125 3.960 0.003 0.000 0.273 511 G C -0.436 174.405 174.900 -0.098 0.000 1.213 511 G CA -0.476 44.552 45.100 -0.119 0.000 0.955 511 G HN 0.193 nan 8.290 nan 0.000 0.454 512 M N 2.504 122.060 119.600 -0.074 0.000 2.327 512 M HA 0.072 4.553 4.480 0.003 0.000 0.353 512 M C 1.262 177.557 176.300 -0.008 0.000 1.539 512 M CA 0.840 56.116 55.300 -0.040 0.000 1.039 512 M CB 0.098 32.681 32.600 -0.029 0.000 1.967 512 M HN 0.855 nan 8.290 nan 0.000 0.459 513 Q N 1.717 121.528 119.800 0.017 0.000 2.332 513 Q HA -0.330 4.012 4.340 0.003 0.000 0.222 513 Q C -0.105 175.934 176.000 0.065 0.000 0.758 513 Q CA 1.229 57.059 55.803 0.046 0.000 1.355 513 Q CB -1.208 27.548 28.738 0.030 0.000 1.705 513 Q HN 0.950 nan 8.270 nan 0.000 0.638 514 A N -1.467 121.384 122.820 0.051 0.000 2.042 514 A HA 0.169 4.491 4.320 0.003 0.000 0.204 514 A C 1.509 179.153 177.584 0.100 0.000 1.712 514 A CA 1.056 53.131 52.037 0.064 0.000 0.890 514 A CB 0.154 19.163 19.000 0.016 0.000 1.176 514 A HN 0.642 nan 8.150 nan 0.000 0.573 515 T N -2.224 112.312 114.554 -0.029 0.000 3.058 515 T HA 0.070 4.421 4.350 0.003 0.000 0.278 515 T C 0.762 175.205 174.700 -0.428 0.000 0.974 515 T CA 0.743 62.709 62.100 -0.223 0.000 0.893 515 T CB 0.085 68.845 68.868 -0.180 0.000 1.138 515 T HN 0.408 nan 8.240 nan 0.000 0.529 516 D N 1.804 122.085 120.400 -0.198 0.000 2.378 516 D HA -0.133 4.509 4.640 0.003 0.000 0.227 516 D C 1.614 177.881 176.300 -0.054 0.000 1.012 516 D CA 0.172 54.083 54.000 -0.149 0.000 0.905 516 D CB -0.665 40.062 40.800 -0.121 0.000 0.895 516 D HN 0.677 nan 8.370 nan 0.000 0.532 517 Y N 0.557 120.882 120.300 0.042 0.000 2.256 517 Y HA -0.105 4.446 4.550 0.002 0.000 0.288 517 Y C 1.471 177.411 175.900 0.068 0.000 1.155 517 Y CA 1.289 59.418 58.100 0.047 0.000 1.203 517 Y CB -1.254 37.225 38.460 0.032 0.000 0.980 517 Y HN -0.038 nan 8.280 nan 0.000 0.530 518 N N -0.116 118.388 118.700 -0.327 0.000 2.279 518 N HA -0.065 4.676 4.740 0.003 0.000 0.226 518 N C -0.452 175.049 175.510 -0.015 0.000 1.126 518 N CA -0.113 52.872 53.050 -0.109 0.000 0.846 518 N CB -0.586 37.775 38.487 -0.209 0.000 1.050 518 N HN 0.519 nan 8.380 nan 0.000 0.502 519 H N 0.570 119.579 119.070 -0.101 0.000 2.745 519 H HA 0.112 4.670 4.556 0.003 0.000 0.235 519 H C -0.851 174.461 175.328 -0.026 0.000 1.815 519 H CA -0.635 55.371 56.048 -0.070 0.000 1.321 519 H CB -0.114 29.605 29.762 -0.071 0.000 1.716 519 H HN 0.245 nan 8.280 nan 0.000 0.546 520 D N 2.795 123.149 120.400 -0.077 0.000 2.389 520 D HA -0.087 4.554 4.640 0.003 0.000 0.247 520 D C 1.414 177.648 176.300 -0.110 0.000 1.128 520 D CA -0.279 53.691 54.000 -0.050 0.000 0.884 520 D CB 1.733 42.542 40.800 0.014 0.000 1.194 520 D HN 0.438 nan 8.370 nan 0.000 0.441 521 L N 3.052 124.239 121.223 -0.060 0.000 2.093 521 L HA -0.045 4.296 4.340 0.003 0.000 0.208 521 L C 0.194 177.036 176.870 -0.047 0.000 1.085 521 L CA 1.388 56.190 54.840 -0.063 0.000 0.755 521 L CB 0.341 42.383 42.059 -0.028 0.000 0.904 521 L HN 0.193 nan 8.230 nan 0.000 0.435 522 V N 1.764 121.670 119.914 -0.013 0.000 2.384 522 V HA 0.486 4.608 4.120 0.003 0.000 0.287 522 V C 0.053 176.179 176.094 0.053 0.000 1.020 522 V CA -0.668 61.640 62.300 0.013 0.000 0.850 522 V CB 1.249 33.086 31.823 0.023 0.000 0.987 522 V HN 0.251 nan 8.190 nan 0.000 0.436 523 R N 0.000 120.542 120.500 0.070 0.000 2.786 523 R HA 0.000 4.342 4.340 0.003 0.000 0.208 523 R CA 0.000 56.222 56.100 0.204 0.000 0.921 523 R CB 0.000 30.324 30.300 0.039 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535