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 3k9d_1_A DATA FIRST_RESID 3 DATA SEQUENCE LEDKDLRSIQ EVRNLIESAN KAQKELAAMS QQQIDTIVKA IADAGYGARE DATA SEQUENCE KLAKMAHEET GFGIWQDKVI KNVFASKHVY NYIKDMKTIG MLKEDNEKKV DATA SEQUENCE MEVAVPLGVV AGLIPSTNPT STVIYKTLIS IKAGNSIVFS PHPNALKAIL DATA SEQUENCE ETVRIISEAA EKAGCPKGAI SCMTVPTIQG TDQLMKHKDT AVILATGGSA DATA SEQUENCE MVKAAYSSGT PAIGVGPGNG PAFIERSANI PRAVKHILDS KTFDNGTICA DATA SEQUENCE SEQSVVVERV NKEAVIAEFR KQGAHFLSDA EAVQLGKFIL RPNGSMNPAI DATA SEQUENCE VGKSVQHIAN LAGLTVPADA RVLIAEETKV GAKIPYSREK LAPILAFYTA DATA SEQUENCE ETWQEACELS MDILYHEGAG HTLIIHSEDK EIIREFALKK PVSRLLVNTP DATA SEQUENCE GALGGIGATT NLVPALTLGC GAVGGSSSSD NIGPENLFNI RRIATGVLEL DATA SEQUENCE EDIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.842 54.840 0.003 0.000 0.813 3 L CB 0.000 42.061 42.059 0.004 0.000 0.961 4 E N -0.512 119.690 120.200 0.002 0.000 2.444 4 E HA 0.117 4.467 4.350 0.001 0.000 0.209 4 E C -0.505 176.096 176.600 0.002 0.000 0.806 4 E CA -0.504 55.897 56.400 0.002 0.000 1.240 4 E CB 1.040 30.740 29.700 0.001 0.000 1.238 4 E HN 0.482 nan 8.360 nan 0.000 0.591 5 D N 2.751 123.152 120.400 0.002 0.000 2.455 5 D HA 0.000 4.641 4.640 0.001 0.000 0.241 5 D C 0.811 177.112 176.300 0.002 0.000 1.138 5 D CA 0.320 54.321 54.000 0.002 0.000 0.877 5 D CB 1.447 42.248 40.800 0.002 0.000 1.187 5 D HN -0.023 nan 8.370 nan 0.000 0.451 6 K N 1.658 122.059 120.400 0.001 0.000 2.057 6 K HA -0.168 4.152 4.320 0.001 0.000 0.207 6 K C 1.273 177.874 176.600 0.002 0.000 1.049 6 K CA 1.301 57.589 56.287 0.001 0.000 0.931 6 K CB 0.190 32.690 32.500 -0.000 0.000 0.714 6 K HN 0.492 nan 8.250 nan 0.000 0.440 7 D N 0.712 121.113 120.400 0.002 0.000 2.117 7 D HA -0.206 4.434 4.640 0.001 0.000 0.198 7 D C 1.997 178.300 176.300 0.005 0.000 0.982 7 D CA 1.165 55.167 54.000 0.003 0.000 0.828 7 D CB -0.518 40.284 40.800 0.003 0.000 0.967 7 D HN 0.300 nan 8.370 nan 0.000 0.464 8 L N -0.283 120.944 121.223 0.005 0.000 2.131 8 L HA 0.062 4.402 4.340 0.001 0.000 0.206 8 L C 2.955 179.829 176.870 0.007 0.000 1.087 8 L CA 0.540 55.385 54.840 0.007 0.000 0.767 8 L CB -0.314 41.748 42.059 0.006 0.000 0.917 8 L HN -0.115 nan 8.230 nan 0.000 0.441 9 R N -0.383 120.121 120.500 0.005 0.000 2.091 9 R HA -0.170 4.170 4.340 0.001 0.000 0.238 9 R C 2.639 178.942 176.300 0.005 0.000 1.136 9 R CA 1.691 57.794 56.100 0.005 0.000 0.959 9 R CB -0.458 29.844 30.300 0.003 0.000 0.856 9 R HN 0.259 nan 8.270 nan 0.000 0.437 10 S N 0.745 116.448 115.700 0.005 0.000 2.355 10 S HA -0.093 4.377 4.470 0.001 0.000 0.222 10 S C 1.984 176.589 174.600 0.008 0.000 1.031 10 S CA 0.923 59.127 58.200 0.006 0.000 0.993 10 S CB -0.123 63.080 63.200 0.005 0.000 0.859 10 S HN 0.192 nan 8.310 nan 0.000 0.453 11 I N 1.345 121.922 120.570 0.012 0.000 2.118 11 I HA -0.233 3.938 4.170 0.001 0.000 0.241 11 I C 2.842 178.970 176.117 0.019 0.000 1.070 11 I CA 1.837 63.148 61.300 0.019 0.000 1.327 11 I CB -0.528 37.485 38.000 0.022 0.000 1.034 11 I HN 0.377 nan 8.210 nan 0.000 0.405 12 Q N 1.055 120.864 119.800 0.015 0.000 2.077 12 Q HA -0.289 4.051 4.340 0.001 0.000 0.206 12 Q C 2.063 178.065 176.000 0.003 0.000 0.989 12 Q CA 2.047 57.857 55.803 0.012 0.000 0.853 12 Q CB -0.261 28.483 28.738 0.009 0.000 0.907 12 Q HN 0.463 nan 8.270 nan 0.000 0.418 13 E N -1.134 119.066 120.200 0.001 0.000 2.051 13 E HA -0.168 4.182 4.350 0.001 0.000 0.192 13 E C 1.880 178.469 176.600 -0.018 0.000 0.991 13 E CA 1.499 57.895 56.400 -0.006 0.000 0.799 13 E CB 0.031 29.731 29.700 -0.001 0.000 0.748 13 E HN 0.298 nan 8.360 nan 0.000 0.449 14 V N 1.269 121.173 119.914 -0.018 0.000 2.287 14 V HA -0.282 3.838 4.120 0.001 0.000 0.248 14 V C 2.427 178.466 176.094 -0.092 0.000 1.053 14 V CA 2.084 64.359 62.300 -0.041 0.000 1.027 14 V CB -0.521 31.291 31.823 -0.019 0.000 0.646 14 V HN 0.270 nan 8.190 nan 0.000 0.447 15 R N 0.232 120.694 120.500 -0.063 0.000 2.105 15 R HA -0.161 4.179 4.340 0.001 0.000 0.239 15 R C 2.199 178.445 176.300 -0.091 0.000 1.135 15 R CA 1.683 57.728 56.100 -0.092 0.000 0.967 15 R CB -0.513 29.810 30.300 0.038 0.000 0.861 15 R HN 0.554 nan 8.270 nan 0.000 0.442 16 N N 0.952 119.623 118.700 -0.049 0.000 2.106 16 N HA -0.118 4.622 4.740 0.001 0.000 0.188 16 N C 1.964 177.440 175.510 -0.056 0.000 1.029 16 N CA 1.131 54.157 53.050 -0.039 0.000 0.848 16 N CB -0.321 38.154 38.487 -0.020 0.000 1.007 16 N HN 0.176 nan 8.380 nan 0.000 0.423 17 L N 0.758 121.945 121.223 -0.061 0.000 2.042 17 L HA -0.114 4.226 4.340 0.001 0.000 0.210 17 L C 2.224 179.035 176.870 -0.098 0.000 1.076 17 L CA 0.939 55.741 54.840 -0.064 0.000 0.749 17 L CB -0.403 41.624 42.059 -0.052 0.000 0.893 17 L HN 0.103 nan 8.230 nan 0.000 0.432 18 I N -0.428 120.048 120.570 -0.156 0.000 2.226 18 I HA -0.293 3.878 4.170 0.001 0.000 0.245 18 I C 2.663 178.689 176.117 -0.150 0.000 1.100 18 I CA 1.281 62.457 61.300 -0.207 0.000 1.374 18 I CB -0.269 37.480 38.000 -0.419 0.000 1.057 18 I HN 0.329 nan 8.210 nan 0.000 0.413 19 E N 0.645 120.768 120.200 -0.129 0.000 2.085 19 E HA -0.227 4.123 4.350 0.001 0.000 0.194 19 E C 2.258 178.832 176.600 -0.045 0.000 0.994 19 E CA 1.757 58.119 56.400 -0.064 0.000 0.801 19 E CB 0.101 29.777 29.700 -0.040 0.000 0.743 19 E HN 0.378 nan 8.360 nan 0.000 0.453 20 S N 0.074 115.747 115.700 -0.046 0.000 2.368 20 S HA -0.095 4.376 4.470 0.001 0.000 0.224 20 S C 1.981 176.560 174.600 -0.036 0.000 1.029 20 S CA 0.881 59.062 58.200 -0.033 0.000 0.988 20 S CB -0.134 63.050 63.200 -0.028 0.000 0.838 20 S HN 0.463 nan 8.310 nan 0.000 0.462 21 A N 2.032 124.821 122.820 -0.052 0.000 1.972 21 A HA -0.147 4.173 4.320 0.001 0.000 0.219 21 A C 1.916 179.472 177.584 -0.047 0.000 1.169 21 A CA 1.786 53.789 52.037 -0.056 0.000 0.635 21 A CB -0.791 18.161 19.000 -0.080 0.000 0.810 21 A HN 0.488 nan 8.150 nan 0.000 0.446 22 N N -0.015 118.658 118.700 -0.045 0.000 2.058 22 N HA -0.158 4.582 4.740 0.001 0.000 0.191 22 N C 1.643 177.142 175.510 -0.019 0.000 1.037 22 N CA 2.057 55.090 53.050 -0.029 0.000 0.848 22 N CB -0.274 38.200 38.487 -0.022 0.000 1.021 22 N HN 0.522 nan 8.380 nan 0.000 0.422 23 K N -0.164 120.225 120.400 -0.018 0.000 2.032 23 K HA -0.060 4.261 4.320 0.001 0.000 0.209 23 K C 2.026 178.619 176.600 -0.013 0.000 1.048 23 K CA 1.356 57.636 56.287 -0.013 0.000 0.927 23 K CB -0.273 32.220 32.500 -0.011 0.000 0.712 23 K HN 0.257 nan 8.250 nan 0.000 0.441 24 A N 1.324 124.134 122.820 -0.017 0.000 1.933 24 A HA -0.204 4.116 4.320 0.001 0.000 0.218 24 A C 2.175 179.750 177.584 -0.015 0.000 1.175 24 A CA 1.252 53.280 52.037 -0.015 0.000 0.628 24 A CB -0.392 18.598 19.000 -0.017 0.000 0.814 24 A HN 0.248 nan 8.150 nan 0.000 0.444 25 Q N 0.299 120.087 119.800 -0.019 0.000 2.119 25 Q HA -0.155 4.186 4.340 0.001 0.000 0.201 25 Q C 1.805 177.797 176.000 -0.013 0.000 0.972 25 Q CA 1.788 57.581 55.803 -0.017 0.000 0.847 25 Q CB -0.201 28.525 28.738 -0.020 0.000 0.903 25 Q HN 0.723 nan 8.270 nan 0.000 0.433 26 K N 0.308 120.701 120.400 -0.011 0.000 2.147 26 K HA -0.170 4.151 4.320 0.001 0.000 0.205 26 K C 2.037 178.631 176.600 -0.009 0.000 1.049 26 K CA 1.352 57.634 56.287 -0.008 0.000 0.936 26 K CB -0.029 32.467 32.500 -0.006 0.000 0.722 26 K HN 0.270 nan 8.250 nan 0.000 0.446 27 E N 0.894 121.088 120.200 -0.009 0.000 2.072 27 E HA -0.115 4.236 4.350 0.001 0.000 0.190 27 E C 1.923 178.517 176.600 -0.011 0.000 0.982 27 E CA 0.611 57.006 56.400 -0.009 0.000 0.803 27 E CB 0.096 29.791 29.700 -0.008 0.000 0.755 27 E HN 0.192 nan 8.360 nan 0.000 0.453 28 L N 0.301 121.518 121.223 -0.011 0.000 2.083 28 L HA -0.165 4.175 4.340 0.001 0.000 0.209 28 L C 2.505 179.365 176.870 -0.017 0.000 1.083 28 L CA 0.962 55.795 54.840 -0.013 0.000 0.752 28 L CB -0.371 41.680 42.059 -0.012 0.000 0.899 28 L HN 0.204 nan 8.230 nan 0.000 0.433 29 A N -0.253 122.558 122.820 -0.016 0.000 2.070 29 A HA -0.074 4.246 4.320 0.001 0.000 0.220 29 A C 2.368 179.940 177.584 -0.021 0.000 1.159 29 A CA 1.519 53.545 52.037 -0.019 0.000 0.656 29 A CB -0.448 18.545 19.000 -0.013 0.000 0.800 29 A HN 0.411 nan 8.150 nan 0.000 0.453 30 A N -0.977 121.833 122.820 -0.017 0.000 2.132 30 A HA 0.374 4.695 4.320 0.001 0.000 0.213 30 A C 1.158 178.731 177.584 -0.019 0.000 1.154 30 A CA 0.009 52.036 52.037 -0.017 0.000 0.753 30 A CB -0.289 18.704 19.000 -0.013 0.000 0.826 30 A HN 0.527 nan 8.150 nan 0.000 0.469 31 M N 1.197 120.785 119.600 -0.020 0.000 2.243 31 M HA 0.212 4.692 4.480 0.001 0.000 0.341 31 M C 0.960 177.244 176.300 -0.028 0.000 1.130 31 M CA -0.196 55.092 55.300 -0.020 0.000 1.162 31 M CB 0.975 33.565 32.600 -0.017 0.000 1.497 31 M HN 0.390 nan 8.290 nan 0.000 0.456 32 S N 1.049 116.733 115.700 -0.026 0.000 2.634 32 S HA 0.051 4.521 4.470 0.001 0.000 0.261 32 S C 0.714 175.292 174.600 -0.037 0.000 1.271 32 S CA -0.446 57.734 58.200 -0.032 0.000 0.985 32 S CB 1.065 64.249 63.200 -0.027 0.000 0.968 32 S HN 0.771 nan 8.310 nan 0.000 0.568 33 Q N 0.347 120.119 119.800 -0.046 0.000 2.084 33 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 33 Q C 2.142 178.123 176.000 -0.032 0.000 0.978 33 Q CA 2.079 57.852 55.803 -0.050 0.000 0.844 33 Q CB -0.607 28.094 28.738 -0.062 0.000 0.898 33 Q HN 0.828 nan 8.270 nan 0.000 0.426 34 Q N -0.020 119.765 119.800 -0.025 0.000 2.030 34 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 34 Q C 2.165 178.162 176.000 -0.006 0.000 0.986 34 Q CA 2.142 57.938 55.803 -0.013 0.000 0.843 34 Q CB -0.201 28.530 28.738 -0.013 0.000 0.904 34 Q HN 0.497 nan 8.270 nan 0.000 0.420 35 Q N -0.420 119.375 119.800 -0.009 0.000 2.061 35 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 35 Q C 1.997 177.996 176.000 -0.001 0.000 0.984 35 Q CA 1.101 56.901 55.803 -0.005 0.000 0.846 35 Q CB -0.163 28.570 28.738 -0.009 0.000 0.902 35 Q HN 0.351 nan 8.270 nan 0.000 0.421 36 I N 1.343 121.909 120.570 -0.007 0.000 2.163 36 I HA -0.278 3.893 4.170 0.001 0.000 0.243 36 I C 1.586 177.713 176.117 0.016 0.000 1.085 36 I CA 1.544 62.843 61.300 -0.002 0.000 1.347 36 I CB -1.008 36.982 38.000 -0.017 0.000 1.044 36 I HN 0.248 nan 8.210 nan 0.000 0.408 37 D N 0.283 120.694 120.400 0.018 0.000 2.178 37 D HA -0.113 4.527 4.640 0.001 0.000 0.202 37 D C 2.150 178.494 176.300 0.073 0.000 0.974 37 D CA 1.175 55.205 54.000 0.050 0.000 0.841 37 D CB -0.229 40.589 40.800 0.031 0.000 0.953 37 D HN 0.271 nan 8.370 nan 0.000 0.478 38 T N 0.953 115.531 114.554 0.040 0.000 2.720 38 T HA -0.108 4.242 4.350 0.001 0.000 0.268 38 T C 2.189 176.902 174.700 0.021 0.000 1.037 38 T CA 0.709 62.826 62.100 0.029 0.000 1.144 38 T CB -0.171 68.706 68.868 0.015 0.000 0.864 38 T HN 0.157 nan 8.240 nan 0.000 0.444 39 I N 0.491 121.074 120.570 0.022 0.000 2.202 39 I HA -0.131 4.039 4.170 0.001 0.000 0.242 39 I C 2.474 178.606 176.117 0.025 0.000 1.091 39 I CA 0.729 62.039 61.300 0.018 0.000 1.368 39 I CB -0.451 37.559 38.000 0.017 0.000 1.058 39 I HN 0.061 nan 8.210 nan 0.000 0.410 40 V N 1.337 121.283 119.914 0.053 0.000 2.282 40 V HA -0.355 3.765 4.120 0.001 0.000 0.249 40 V C 2.573 178.693 176.094 0.043 0.000 1.057 40 V CA 2.391 64.746 62.300 0.091 0.000 1.032 40 V CB -0.696 31.218 31.823 0.152 0.000 0.645 40 V HN 0.436 nan 8.190 nan 0.000 0.447 41 K N 1.066 121.474 120.400 0.013 0.000 2.097 41 K HA -0.104 4.216 4.320 0.001 0.000 0.206 41 K C 1.982 178.440 176.600 -0.236 0.000 1.049 41 K CA 1.848 57.966 56.287 -0.281 0.000 0.933 41 K CB -0.598 31.840 32.500 -0.103 0.000 0.717 41 K HN 0.378 nan 8.250 nan 0.000 0.442 42 A N 0.629 123.392 122.820 -0.095 0.000 1.930 42 A HA -0.040 4.280 4.320 0.001 0.000 0.217 42 A C 2.186 179.743 177.584 -0.045 0.000 1.175 42 A CA 1.524 53.525 52.037 -0.060 0.000 0.627 42 A CB -0.577 18.410 19.000 -0.023 0.000 0.815 42 A HN 0.369 nan 8.150 nan 0.000 0.443 43 I N -0.346 120.205 120.570 -0.031 0.000 2.202 43 I HA -0.239 3.931 4.170 0.001 0.000 0.242 43 I C 2.963 179.074 176.117 -0.010 0.000 1.091 43 I CA 1.002 62.302 61.300 0.001 0.000 1.368 43 I CB -0.313 37.707 38.000 0.034 0.000 1.058 43 I HN 0.338 nan 8.210 nan 0.000 0.410 44 A N 0.528 123.300 122.820 -0.079 0.000 1.902 44 A HA -0.234 4.087 4.320 0.001 0.000 0.217 44 A C 1.958 179.500 177.584 -0.069 0.000 1.181 44 A CA 2.077 54.050 52.037 -0.107 0.000 0.623 44 A CB -0.587 18.194 19.000 -0.365 0.000 0.818 44 A HN 0.333 nan 8.150 nan 0.000 0.443 45 D N 0.082 120.412 120.400 -0.116 0.000 2.097 45 D HA -0.048 4.592 4.640 0.001 0.000 0.195 45 D C 2.279 178.613 176.300 0.057 0.000 0.989 45 D CA 1.637 55.624 54.000 -0.021 0.000 0.827 45 D CB -0.542 40.224 40.800 -0.056 0.000 0.966 45 D HN 0.403 nan 8.370 nan 0.000 0.456 46 A N 0.784 123.620 122.820 0.027 0.000 1.902 46 A HA -0.048 4.273 4.320 0.001 0.000 0.217 46 A C 2.361 179.977 177.584 0.055 0.000 1.181 46 A CA 2.205 54.264 52.037 0.036 0.000 0.623 46 A CB -1.113 17.901 19.000 0.023 0.000 0.818 46 A HN 0.309 nan 8.150 nan 0.000 0.443 47 G N -1.660 107.183 108.800 0.071 0.000 2.433 47 G HA2 -0.283 3.677 3.960 0.001 0.000 0.216 47 G HA3 -0.283 3.677 3.960 0.001 0.000 0.216 47 G C 1.564 176.541 174.900 0.128 0.000 1.186 47 G CA 1.271 46.426 45.100 0.092 0.000 0.779 47 G HN 0.552 nan 8.290 nan 0.000 0.543 48 Y N 2.041 122.358 120.300 0.028 0.000 2.165 48 Y HA -0.071 4.479 4.550 0.000 0.000 0.286 48 Y C 2.772 178.694 175.900 0.037 0.000 1.155 48 Y CA 1.657 59.781 58.100 0.039 0.000 1.164 48 Y CB -0.569 37.905 38.460 0.023 0.000 0.978 48 Y HN 0.122 nan 8.280 nan 0.000 0.513 49 G N -0.710 108.094 108.800 0.007 0.000 2.422 49 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 49 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 49 G C 1.507 176.362 174.900 -0.075 0.000 1.140 49 G CA 0.599 45.656 45.100 -0.071 0.000 0.775 49 G HN 0.557 nan 8.290 nan 0.000 0.545 50 A N 0.965 123.769 122.820 -0.026 0.000 2.302 50 A HA 0.256 4.577 4.320 0.001 0.000 0.219 50 A C 2.185 179.771 177.584 0.004 0.000 1.243 50 A CA 0.712 52.746 52.037 -0.005 0.000 0.856 50 A CB -0.342 18.666 19.000 0.014 0.000 0.893 50 A HN 0.503 nan 8.150 nan 0.000 0.491 51 R N 0.191 120.668 120.500 -0.037 0.000 2.103 51 R HA -0.188 4.152 4.340 0.001 0.000 0.242 51 R C 1.084 177.428 176.300 0.073 0.000 1.142 51 R CA 1.775 57.876 56.100 0.000 0.000 0.960 51 R CB -0.486 29.767 30.300 -0.078 0.000 0.858 51 R HN 0.438 nan 8.270 nan 0.000 0.439 52 E N 1.275 121.522 120.200 0.078 0.000 2.046 52 E HA -0.148 4.202 4.350 0.001 0.000 0.190 52 E C 1.946 178.716 176.600 0.284 0.000 0.982 52 E CA 1.062 57.605 56.400 0.238 0.000 0.800 52 E CB -0.191 29.608 29.700 0.166 0.000 0.756 52 E HN 0.445 nan 8.360 nan 0.000 0.449 53 K N 1.117 121.598 120.400 0.136 0.000 2.020 53 K HA -0.166 4.154 4.320 0.001 0.000 0.212 53 K C 2.290 178.904 176.600 0.023 0.000 1.050 53 K CA 1.308 57.633 56.287 0.064 0.000 0.929 53 K CB -0.152 32.367 32.500 0.032 0.000 0.714 53 K HN 0.028 nan 8.250 nan 0.000 0.443 54 L N 0.055 121.301 121.223 0.039 0.000 2.072 54 L HA -0.051 4.289 4.340 0.001 0.000 0.205 54 L C 2.675 179.558 176.870 0.022 0.000 1.079 54 L CA 0.912 55.763 54.840 0.018 0.000 0.752 54 L CB -0.557 41.519 42.059 0.028 0.000 0.906 54 L HN 0.308 nan 8.230 nan 0.000 0.436 55 A N 0.387 123.259 122.820 0.085 0.000 1.883 55 A HA -0.283 4.037 4.320 0.001 0.000 0.217 55 A C 2.316 179.877 177.584 -0.039 0.000 1.186 55 A CA 2.189 54.298 52.037 0.120 0.000 0.624 55 A CB -0.447 18.733 19.000 0.301 0.000 0.822 55 A HN 0.200 nan 8.150 nan 0.000 0.444 56 K N -0.327 119.922 120.400 -0.252 0.000 2.057 56 K HA -0.010 4.310 4.320 0.001 0.000 0.207 56 K C 1.989 178.385 176.600 -0.340 0.000 1.049 56 K CA 1.840 57.704 56.287 -0.705 0.000 0.931 56 K CB -0.503 31.386 32.500 -1.017 0.000 0.714 56 K HN 0.538 nan 8.250 nan 0.000 0.440 57 M N -0.368 119.113 119.600 -0.198 0.000 2.073 57 M HA -0.210 4.270 4.480 0.001 0.000 0.258 57 M C 2.189 178.414 176.300 -0.126 0.000 1.070 57 M CA 2.085 57.301 55.300 -0.141 0.000 1.103 57 M CB -0.472 32.074 32.600 -0.090 0.000 1.321 57 M HN 0.259 nan 8.290 nan 0.000 0.405 58 A N -1.036 121.732 122.820 -0.087 0.000 1.933 58 A HA -0.219 4.101 4.320 0.001 0.000 0.218 58 A C 2.001 179.536 177.584 -0.083 0.000 1.175 58 A CA 1.691 53.683 52.037 -0.074 0.000 0.628 58 A CB -1.228 17.760 19.000 -0.021 0.000 0.814 58 A HN 0.621 nan 8.150 nan 0.000 0.444 59 H N -0.279 118.695 119.070 -0.161 0.000 2.321 59 H HA -0.096 4.460 4.556 0.000 0.000 0.300 59 H C 1.919 177.138 175.328 -0.182 0.000 1.087 59 H CA 1.853 57.808 56.048 -0.155 0.000 1.319 59 H CB 0.102 29.762 29.762 -0.170 0.000 1.379 59 H HN 0.642 nan 8.280 nan 0.000 0.501 60 E N 0.238 120.267 120.200 -0.285 0.000 2.072 60 E HA -0.146 4.204 4.350 0.001 0.000 0.191 60 E C 2.280 178.724 176.600 -0.259 0.000 0.985 60 E CA 0.798 57.016 56.400 -0.303 0.000 0.801 60 E CB 0.073 29.637 29.700 -0.226 0.000 0.750 60 E HN 0.565 nan 8.360 nan 0.000 0.452 61 E N 0.083 120.150 120.200 -0.221 0.000 2.028 61 E HA -0.149 4.201 4.350 0.001 0.000 0.190 61 E C 2.168 178.604 176.600 -0.272 0.000 0.984 61 E CA 1.786 58.065 56.400 -0.201 0.000 0.800 61 E CB 0.142 29.747 29.700 -0.159 0.000 0.758 61 E HN 0.298 nan 8.360 nan 0.000 0.448 62 T N -3.387 110.943 114.554 -0.372 0.000 2.978 62 T HA 0.134 4.484 4.350 0.001 0.000 0.262 62 T C 1.633 175.923 174.700 -0.683 0.000 1.063 62 T CA 0.897 62.603 62.100 -0.657 0.000 1.140 62 T CB 0.159 68.467 68.868 -0.934 0.000 0.886 62 T HN 0.364 nan 8.240 nan 0.000 0.470 63 G N 1.083 109.615 108.800 -0.446 0.000 2.184 63 G HA2 -0.198 3.762 3.960 0.001 0.000 0.264 63 G HA3 -0.198 3.762 3.960 0.001 0.000 0.264 63 G C -0.117 174.732 174.900 -0.084 0.000 0.975 63 G CA 0.117 45.032 45.100 -0.307 0.000 0.642 63 G HN 0.522 nan 8.290 nan 0.000 0.536 64 F N 1.028 120.906 119.950 -0.120 0.000 2.371 64 F HA 0.638 5.165 4.527 0.001 0.000 0.329 64 F C 1.312 177.150 175.800 0.064 0.000 1.107 64 F CA -0.335 57.635 58.000 -0.051 0.000 1.137 64 F CB 0.667 39.640 39.000 -0.046 0.000 1.214 64 F HN 1.072 nan 8.300 nan 0.000 0.536 65 G N 1.794 110.747 108.800 0.255 0.000 2.642 65 G HA2 -0.196 3.764 3.960 0.001 0.000 0.231 65 G HA3 -0.196 3.764 3.960 0.001 0.000 0.231 65 G C -1.206 173.773 174.900 0.133 0.000 1.338 65 G CA -0.672 44.518 45.100 0.149 0.000 0.883 65 G HN 0.657 nan 8.290 nan 0.000 0.570 66 I N -0.307 120.232 120.570 -0.053 0.000 2.436 66 I HA 0.293 4.463 4.170 0.001 0.000 0.289 66 I C 1.040 177.031 176.117 -0.210 0.000 1.010 66 I CA -0.735 60.461 61.300 -0.174 0.000 1.098 66 I CB 1.671 39.577 38.000 -0.156 0.000 1.266 66 I HN 0.743 nan 8.210 nan 0.000 0.434 67 W N 5.020 125.948 121.300 -0.620 0.000 2.301 67 W HA -0.280 4.381 4.660 0.000 0.000 0.325 67 W C 2.205 178.588 176.519 -0.226 0.000 1.250 67 W CA 2.035 59.130 57.345 -0.417 0.000 1.261 67 W CB -0.320 28.915 29.460 -0.376 0.000 1.157 67 W HN 0.690 nan 8.180 nan 0.000 0.473 68 Q N -0.236 119.488 119.800 -0.128 0.000 2.096 68 Q HA -0.268 4.073 4.340 0.001 0.000 0.208 68 Q C 1.882 177.804 176.000 -0.129 0.000 0.993 68 Q CA 2.550 58.233 55.803 -0.199 0.000 0.862 68 Q CB -0.480 28.151 28.738 -0.178 0.000 0.915 68 Q HN 0.165 nan 8.270 nan 0.000 0.416 69 D N -0.058 120.208 120.400 -0.223 0.000 2.144 69 D HA -0.117 4.524 4.640 0.001 0.000 0.199 69 D C 1.656 177.807 176.300 -0.249 0.000 0.984 69 D CA 1.153 54.871 54.000 -0.471 0.000 0.834 69 D CB -0.057 40.120 40.800 -1.039 0.000 0.955 69 D HN 0.232 nan 8.370 nan 0.000 0.465 70 K N 0.164 120.502 120.400 -0.104 0.000 2.211 70 K HA -0.042 4.279 4.320 0.001 0.000 0.203 70 K C 2.033 178.701 176.600 0.113 0.000 1.050 70 K CA 0.230 56.541 56.287 0.040 0.000 0.945 70 K CB 0.140 32.689 32.500 0.082 0.000 0.732 70 K HN -0.028 nan 8.250 nan 0.000 0.451 71 V N 1.343 121.321 119.914 0.106 0.000 2.307 71 V HA -0.246 3.875 4.120 0.001 0.000 0.245 71 V C 2.027 178.201 176.094 0.134 0.000 1.045 71 V CA 1.632 63.993 62.300 0.102 0.000 1.024 71 V CB -0.347 31.485 31.823 0.015 0.000 0.651 71 V HN 0.270 nan 8.190 nan 0.000 0.449 72 I N -0.251 120.412 120.570 0.156 0.000 2.264 72 I HA -0.298 3.873 4.170 0.001 0.000 0.248 72 I C 2.493 178.773 176.117 0.271 0.000 1.111 72 I CA 1.737 63.178 61.300 0.235 0.000 1.382 72 I CB -0.404 37.794 38.000 0.329 0.000 1.060 72 I HN 0.270 nan 8.210 nan 0.000 0.418 73 K N 0.315 120.881 120.400 0.277 0.000 2.097 73 K HA -0.114 4.207 4.320 0.001 0.000 0.205 73 K C 1.879 178.645 176.600 0.277 0.000 1.050 73 K CA 1.122 57.576 56.287 0.278 0.000 0.938 73 K CB -0.154 32.487 32.500 0.235 0.000 0.718 73 K HN 0.240 nan 8.250 nan 0.000 0.442 74 N N 0.452 119.285 118.700 0.221 0.000 2.188 74 N HA -0.101 4.639 4.740 0.001 0.000 0.184 74 N C 1.749 177.408 175.510 0.248 0.000 1.018 74 N CA 0.792 53.962 53.050 0.201 0.000 0.858 74 N CB -0.187 38.388 38.487 0.147 0.000 0.989 74 N HN -0.072 nan 8.380 nan 0.000 0.426 75 V N 0.977 121.064 119.914 0.288 0.000 2.295 75 V HA -0.206 3.914 4.120 0.001 0.000 0.246 75 V C 2.002 178.336 176.094 0.400 0.000 1.049 75 V CA 1.332 63.871 62.300 0.398 0.000 1.024 75 V CB -0.658 31.405 31.823 0.400 0.000 0.648 75 V HN 0.178 nan 8.190 nan 0.000 0.447 76 F N 1.732 121.778 119.950 0.160 0.000 2.046 76 F HA -0.180 4.347 4.527 0.001 0.000 0.297 76 F C 2.323 178.216 175.800 0.154 0.000 1.123 76 F CA 1.724 59.734 58.000 0.016 0.000 1.199 76 F CB -0.726 38.169 39.000 -0.174 0.000 0.972 76 F HN 0.068 nan 8.300 nan 0.000 0.474 77 A N -0.299 122.579 122.820 0.096 0.000 1.978 77 A HA -0.185 4.135 4.320 0.001 0.000 0.220 77 A C 2.252 179.897 177.584 0.102 0.000 1.170 77 A CA 2.434 54.511 52.037 0.066 0.000 0.636 77 A CB -1.226 17.900 19.000 0.211 0.000 0.810 77 A HN 0.591 nan 8.150 nan 0.000 0.448 78 S N -1.102 114.687 115.700 0.149 0.000 2.346 78 S HA 0.066 4.536 4.470 0.001 0.000 0.204 78 S C 1.874 176.558 174.600 0.139 0.000 1.008 78 S CA 0.655 58.950 58.200 0.158 0.000 0.925 78 S CB -0.349 62.974 63.200 0.205 0.000 0.903 78 S HN 0.315 nan 8.310 nan 0.000 0.537 79 K N 1.123 121.603 120.400 0.134 0.000 2.025 79 K HA 0.002 4.322 4.320 0.001 0.000 0.207 79 K C 2.257 178.892 176.600 0.057 0.000 1.049 79 K CA 1.520 57.832 56.287 0.041 0.000 0.933 79 K CB -0.713 31.721 32.500 -0.109 0.000 0.714 79 K HN 0.613 nan 8.250 nan 0.000 0.438 80 H N 0.015 119.057 119.070 -0.046 0.000 2.363 80 H HA -0.032 4.524 4.556 0.001 0.000 0.301 80 H C 2.252 177.505 175.328 -0.125 0.000 1.074 80 H CA 1.142 57.127 56.048 -0.106 0.000 1.354 80 H CB 0.170 29.814 29.762 -0.198 0.000 1.397 80 H HN -0.104 nan 8.280 nan 0.000 0.516 81 V N 0.986 120.862 119.914 -0.063 0.000 2.295 81 V HA -0.295 3.826 4.120 0.001 0.000 0.246 81 V C 2.287 178.481 176.094 0.166 0.000 1.049 81 V CA 1.879 64.216 62.300 0.061 0.000 1.024 81 V CB -0.868 31.021 31.823 0.111 0.000 0.648 81 V HN 0.355 nan 8.190 nan 0.000 0.447 82 Y N 1.948 122.271 120.300 0.039 0.000 2.114 82 Y HA -0.282 4.268 4.550 0.000 0.000 0.282 82 Y C 2.495 178.397 175.900 0.003 0.000 1.165 82 Y CA 2.151 60.262 58.100 0.018 0.000 1.148 82 Y CB -0.474 37.981 38.460 -0.009 0.000 0.972 82 Y HN 0.271 nan 8.280 nan 0.000 0.504 83 N N -0.838 117.796 118.700 -0.111 0.000 2.289 83 N HA -0.213 4.527 4.740 0.001 0.000 0.184 83 N C 1.680 177.118 175.510 -0.120 0.000 1.016 83 N CA 1.453 54.392 53.050 -0.185 0.000 0.872 83 N CB -0.771 37.664 38.487 -0.086 0.000 0.973 83 N HN 0.618 nan 8.380 nan 0.000 0.433 84 Y N 1.526 121.752 120.300 -0.124 0.000 2.263 84 Y HA 0.001 4.551 4.550 0.001 0.000 0.292 84 Y C 1.989 177.835 175.900 -0.092 0.000 1.130 84 Y CA 1.111 59.166 58.100 -0.075 0.000 1.179 84 Y CB -0.166 38.283 38.460 -0.017 0.000 0.998 84 Y HN 0.107 nan 8.280 nan 0.000 0.532 85 I N -0.963 119.415 120.570 -0.321 0.000 3.228 85 I HA 0.033 4.203 4.170 0.001 0.000 0.279 85 I C 2.064 177.980 176.117 -0.336 0.000 1.221 85 I CA 0.733 61.809 61.300 -0.373 0.000 1.458 85 I CB -0.469 37.462 38.000 -0.116 0.000 1.105 85 I HN 0.101 nan 8.210 nan 0.000 0.445 86 K N 1.011 121.133 120.400 -0.464 0.000 2.113 86 K HA -0.178 4.143 4.320 0.001 0.000 0.208 86 K C 0.740 177.189 176.600 -0.251 0.000 1.047 86 K CA 2.129 58.137 56.287 -0.465 0.000 0.928 86 K CB -0.385 31.630 32.500 -0.810 0.000 0.716 86 K HN 0.318 nan 8.250 nan 0.000 0.446 87 D N 0.120 120.379 120.400 -0.234 0.000 2.398 87 D HA 0.155 4.795 4.640 0.001 0.000 0.210 87 D C 0.133 176.347 176.300 -0.144 0.000 1.094 87 D CA 0.105 54.011 54.000 -0.157 0.000 0.839 87 D CB 0.184 40.904 40.800 -0.132 0.000 0.963 87 D HN 0.254 nan 8.370 nan 0.000 0.506 88 M N 1.316 120.807 119.600 -0.181 0.000 2.238 88 M HA 0.078 4.558 4.480 0.001 0.000 0.347 88 M C 0.437 176.674 176.300 -0.105 0.000 1.173 88 M CA 0.179 55.389 55.300 -0.151 0.000 1.147 88 M CB 0.866 33.344 32.600 -0.203 0.000 1.547 88 M HN -0.395 nan 8.290 nan 0.000 0.455 89 K N 2.541 122.893 120.400 -0.080 0.000 2.262 89 K HA 0.249 4.569 4.320 0.001 0.000 0.282 89 K C 0.481 176.990 176.600 -0.152 0.000 1.066 89 K CA -0.138 56.090 56.287 -0.097 0.000 0.901 89 K CB 0.446 32.901 32.500 -0.075 0.000 1.089 89 K HN 0.821 nan 8.250 nan 0.000 0.476 90 T N -1.595 112.817 114.554 -0.237 0.000 3.130 90 T HA 0.243 4.593 4.350 0.001 0.000 0.288 90 T C 0.386 174.760 174.700 -0.542 0.000 0.936 90 T CA -0.234 61.590 62.100 -0.460 0.000 0.897 90 T CB 0.289 69.037 68.868 -0.199 0.000 1.178 90 T HN 0.326 nan 8.240 nan 0.000 0.543 91 I N 2.181 122.557 120.570 -0.324 0.000 2.466 91 I HA 0.650 4.821 4.170 0.001 0.000 0.289 91 I C 1.199 177.206 176.117 -0.184 0.000 1.026 91 I CA 0.045 61.206 61.300 -0.232 0.000 1.078 91 I CB 0.665 38.582 38.000 -0.139 0.000 1.249 91 I HN 0.559 nan 8.210 nan 0.000 0.429 92 G N 6.518 115.222 108.800 -0.160 0.000 2.562 92 G HA2 -0.275 3.685 3.960 0.001 0.000 0.250 92 G HA3 -0.275 3.685 3.960 0.001 0.000 0.250 92 G C -0.075 174.767 174.900 -0.097 0.000 1.269 92 G CA -0.186 44.852 45.100 -0.103 0.000 0.919 92 G HN 0.599 nan 8.290 nan 0.000 0.574 93 M N 1.186 120.747 119.600 -0.065 0.000 2.356 93 M HA 0.492 4.972 4.480 0.001 0.000 0.348 93 M C 1.149 177.417 176.300 -0.053 0.000 1.595 93 M CA 0.529 55.800 55.300 -0.047 0.000 1.095 93 M CB 0.073 32.654 32.600 -0.032 0.000 1.963 93 M HN 0.461 nan 8.290 nan 0.000 0.459 94 L N 3.017 124.215 121.223 -0.043 0.000 2.286 94 L HA 0.297 4.637 4.340 0.001 0.000 0.203 94 L C 0.499 177.361 176.870 -0.012 0.000 1.068 94 L CA 0.421 55.240 54.840 -0.034 0.000 0.811 94 L CB -0.067 41.981 42.059 -0.019 0.000 0.989 94 L HN 0.574 nan 8.230 nan 0.000 0.467 95 K N 0.194 120.593 120.400 -0.002 0.000 2.498 95 K HA 0.392 4.712 4.320 0.001 0.000 0.254 95 K C -1.173 175.429 176.600 0.003 0.000 0.933 95 K CA -0.398 55.892 56.287 0.004 0.000 0.806 95 K CB 2.422 34.932 32.500 0.016 0.000 1.301 95 K HN -0.112 nan 8.250 nan 0.000 0.432 96 E N 1.957 122.158 120.200 0.001 0.000 2.675 96 E HA 0.055 4.405 4.350 0.001 0.000 0.236 96 E C -1.614 174.987 176.600 0.003 0.000 1.059 96 E CA -0.475 55.925 56.400 0.001 0.000 0.775 96 E CB 1.089 30.788 29.700 -0.002 0.000 1.356 96 E HN 0.327 nan 8.360 nan 0.000 0.403 97 D N 1.832 122.235 120.400 0.005 0.000 2.352 97 D HA 0.080 4.720 4.640 0.001 0.000 0.245 97 D C 0.173 176.475 176.300 0.004 0.000 1.224 97 D CA 0.064 54.067 54.000 0.005 0.000 0.879 97 D CB 0.668 41.473 40.800 0.008 0.000 1.057 97 D HN 0.263 nan 8.370 nan 0.000 0.491 98 N N 2.558 121.260 118.700 0.003 0.000 2.416 98 N HA -0.077 4.663 4.740 0.001 0.000 0.177 98 N C 1.140 176.651 175.510 0.003 0.000 1.036 98 N CA 0.317 53.368 53.050 0.002 0.000 0.901 98 N CB 0.369 38.856 38.487 0.001 0.000 0.976 98 N HN 0.398 nan 8.380 nan 0.000 0.444 99 E N 1.215 121.417 120.200 0.003 0.000 2.028 99 E HA -0.051 4.299 4.350 0.001 0.000 0.190 99 E C 1.314 177.916 176.600 0.004 0.000 0.984 99 E CA 1.055 57.457 56.400 0.003 0.000 0.800 99 E CB -0.146 29.556 29.700 0.004 0.000 0.758 99 E HN 0.356 nan 8.360 nan 0.000 0.448 100 K N 0.508 120.911 120.400 0.005 0.000 2.365 100 K HA 0.034 4.354 4.320 0.001 0.000 0.197 100 K C 0.059 176.662 176.600 0.005 0.000 1.042 100 K CA 0.071 56.361 56.287 0.005 0.000 0.987 100 K CB 0.155 32.660 32.500 0.007 0.000 0.779 100 K HN -0.004 nan 8.250 nan 0.000 0.484 101 K N 0.606 121.008 120.400 0.005 0.000 3.150 101 K HA -0.138 4.182 4.320 0.001 0.000 0.267 101 K C -1.431 175.172 176.600 0.005 0.000 1.028 101 K CA 0.105 56.394 56.287 0.004 0.000 0.753 101 K CB -1.350 31.152 32.500 0.003 0.000 1.288 101 K HN -0.053 nan 8.250 nan 0.000 0.473 102 V N 1.522 121.440 119.914 0.007 0.000 2.525 102 V HA 0.419 4.540 4.120 0.001 0.000 0.299 102 V C 0.152 176.252 176.094 0.009 0.000 1.034 102 V CA -0.689 61.616 62.300 0.009 0.000 0.863 102 V CB 1.745 33.575 31.823 0.011 0.000 0.999 102 V HN 0.206 nan 8.190 nan 0.000 0.423 103 M N 3.570 123.176 119.600 0.009 0.000 2.478 103 M HA 0.619 5.099 4.480 0.001 0.000 0.327 103 M C -0.451 175.857 176.300 0.013 0.000 1.187 103 M CA -0.473 54.832 55.300 0.008 0.000 1.022 103 M CB 1.915 34.517 32.600 0.004 0.000 1.629 103 M HN 0.563 nan 8.290 nan 0.000 0.461 104 E N 1.327 121.536 120.200 0.015 0.000 2.210 104 E HA 0.611 4.961 4.350 0.001 0.000 0.266 104 E C -1.514 175.096 176.600 0.016 0.000 0.883 104 E CA -0.763 55.653 56.400 0.027 0.000 0.761 104 E CB 3.066 32.792 29.700 0.042 0.000 1.156 104 E HN 0.328 nan 8.360 nan 0.000 0.412 105 V N 1.795 121.722 119.914 0.021 0.000 2.577 105 V HA 0.446 4.566 4.120 0.001 0.000 0.303 105 V C -0.231 175.868 176.094 0.008 0.000 1.042 105 V CA -0.884 61.413 62.300 -0.005 0.000 0.872 105 V CB 1.717 33.536 31.823 -0.007 0.000 0.998 105 V HN 0.832 nan 8.190 nan 0.000 0.423 106 A N 4.673 127.447 122.820 -0.078 0.000 2.450 106 A HA 0.612 4.932 4.320 0.001 0.000 0.255 106 A C -0.327 177.226 177.584 -0.052 0.000 1.096 106 A CA -0.062 51.890 52.037 -0.141 0.000 0.778 106 A CB 0.333 18.910 19.000 -0.705 0.000 1.031 106 A HN 0.775 nan 8.150 nan 0.000 0.494 107 V N 6.071 126.040 119.914 0.092 0.000 2.407 107 V HA 0.310 4.430 4.120 0.001 0.000 0.291 107 V C -2.351 173.816 176.094 0.121 0.000 1.018 107 V CA -1.636 60.708 62.300 0.072 0.000 0.842 107 V CB 1.577 33.444 31.823 0.073 0.000 0.996 107 V HN 0.774 nan 8.190 nan 0.000 0.426 108 P HA 0.110 nan 4.420 nan 0.000 0.268 108 P C 0.658 178.000 177.300 0.071 0.000 1.205 108 P CA -0.228 62.922 63.100 0.083 0.000 0.771 108 P CB 0.750 32.468 31.700 0.030 0.000 0.858 109 L N 1.909 123.174 121.223 0.070 0.000 2.046 109 L HA 0.040 4.380 4.340 0.001 0.000 0.208 109 L C 1.679 178.559 176.870 0.018 0.000 1.077 109 L CA 2.534 57.397 54.840 0.038 0.000 0.747 109 L CB -1.613 40.460 42.059 0.023 0.000 0.896 109 L HN 0.827 nan 8.230 nan 0.000 0.432 110 G N -2.022 106.783 108.800 0.009 0.000 2.254 110 G HA2 -0.145 3.815 3.960 0.001 0.000 0.193 110 G HA3 -0.145 3.815 3.960 0.001 0.000 0.193 110 G C -0.926 173.959 174.900 -0.025 0.000 1.233 110 G CA -0.358 44.738 45.100 -0.005 0.000 1.290 110 G HN -0.091 nan 8.290 nan 0.000 0.517 111 V N 1.757 121.650 119.914 -0.034 0.000 2.364 111 V HA 0.533 4.654 4.120 0.001 0.000 0.272 111 V C 0.726 176.774 176.094 -0.076 0.000 1.036 111 V CA -0.530 61.733 62.300 -0.063 0.000 0.880 111 V CB 1.001 32.782 31.823 -0.070 0.000 0.991 111 V HN 0.710 nan 8.190 nan 0.000 0.460 112 V N 4.362 124.213 119.914 -0.105 0.000 2.583 112 V HA 0.568 4.688 4.120 0.001 0.000 0.287 112 V C 0.698 176.693 176.094 -0.166 0.000 1.051 112 V CA -0.313 61.915 62.300 -0.120 0.000 1.010 112 V CB 1.491 33.237 31.823 -0.128 0.000 0.988 112 V HN 0.958 nan 8.190 nan 0.000 0.478 113 A N 3.777 126.522 122.820 -0.125 0.000 2.253 113 A HA 0.700 5.020 4.320 0.001 0.000 0.316 113 A C 0.466 177.994 177.584 -0.094 0.000 1.327 113 A CA -0.104 51.860 52.037 -0.121 0.000 0.917 113 A CB 0.423 19.382 19.000 -0.068 0.000 1.162 113 A HN 1.048 nan 8.150 nan 0.000 0.535 114 G N 2.528 111.247 108.800 -0.134 0.000 2.347 114 G HA2 0.524 4.485 3.960 0.001 0.000 0.314 114 G HA3 0.524 4.485 3.960 0.001 0.000 0.314 114 G C -0.340 174.691 174.900 0.218 0.000 1.126 114 G CA -0.483 44.653 45.100 0.061 0.000 0.929 114 G HN 0.687 nan 8.290 nan 0.000 0.441 115 L N 3.776 125.102 121.223 0.171 0.000 2.281 115 L HA 0.358 4.698 4.340 0.001 0.000 0.285 115 L C -0.285 176.707 176.870 0.204 0.000 1.074 115 L CA -0.780 54.161 54.840 0.168 0.000 0.817 115 L CB 1.206 43.333 42.059 0.113 0.000 1.168 115 L HN 0.234 nan 8.230 nan 0.000 0.434 116 I N 5.542 126.233 120.570 0.200 0.000 2.355 116 I HA 0.377 4.547 4.170 0.001 0.000 0.288 116 I C -2.001 174.218 176.117 0.171 0.000 0.999 116 I CA -2.467 58.931 61.300 0.163 0.000 1.163 116 I CB 1.286 39.338 38.000 0.087 0.000 1.316 116 I HN 0.317 nan 8.210 nan 0.000 0.454 117 P HA 0.185 nan 4.420 nan 0.000 0.276 117 P C 0.619 177.968 177.300 0.083 0.000 1.244 117 P CA -0.321 62.878 63.100 0.165 0.000 0.801 117 P CB 1.018 32.803 31.700 0.140 0.000 1.006 118 S N -0.450 115.200 115.700 -0.084 0.000 2.515 118 S HA -0.104 4.366 4.470 0.001 0.000 0.231 118 S C 1.569 176.220 174.600 0.084 0.000 0.987 118 S CA 1.397 59.500 58.200 -0.161 0.000 0.936 118 S CB -1.616 61.228 63.200 -0.593 0.000 0.766 118 S HN 0.644 nan 8.310 nan 0.000 0.528 119 T N 0.160 114.816 114.554 0.169 0.000 2.851 119 T HA 0.079 4.429 4.350 0.001 0.000 0.262 119 T C 0.861 175.655 174.700 0.157 0.000 1.043 119 T CA 0.708 62.944 62.100 0.227 0.000 1.140 119 T CB -0.429 68.486 68.868 0.078 0.000 0.872 119 T HN 0.374 nan 8.240 nan 0.000 0.446 120 N N 2.053 120.822 118.700 0.115 0.000 2.660 120 N HA 0.265 5.006 4.740 0.001 0.000 0.316 120 N C -2.213 173.351 175.510 0.090 0.000 1.774 120 N CA -1.401 51.713 53.050 0.106 0.000 0.946 120 N CB 1.513 40.065 38.487 0.108 0.000 1.322 120 N HN 0.380 nan 8.380 nan 0.000 0.492 121 P HA -0.082 nan 4.420 nan 0.000 0.215 121 P C 1.459 178.760 177.300 0.001 0.000 1.157 121 P CA 1.488 64.605 63.100 0.028 0.000 0.856 121 P CB 0.107 31.807 31.700 0.000 0.000 0.786 122 T N -2.001 112.562 114.554 0.014 0.000 2.851 122 T HA -0.068 4.282 4.350 0.001 0.000 0.262 122 T C 2.136 176.862 174.700 0.044 0.000 1.043 122 T CA 1.594 63.697 62.100 0.005 0.000 1.140 122 T CB -1.392 67.487 68.868 0.019 0.000 0.872 122 T HN 0.188 nan 8.240 nan 0.000 0.446 123 S N 1.522 117.279 115.700 0.094 0.000 2.382 123 S HA -0.137 4.333 4.470 0.001 0.000 0.228 123 S C 2.142 176.855 174.600 0.189 0.000 1.027 123 S CA 1.528 59.819 58.200 0.152 0.000 0.991 123 S CB -1.488 61.821 63.200 0.181 0.000 0.823 123 S HN 0.573 nan 8.310 nan 0.000 0.469 124 T N 2.280 116.931 114.554 0.162 0.000 2.777 124 T HA 0.029 4.379 4.350 0.001 0.000 0.266 124 T C 1.942 176.750 174.700 0.181 0.000 1.040 124 T CA 1.217 63.463 62.100 0.244 0.000 1.141 124 T CB -0.585 68.400 68.868 0.196 0.000 0.868 124 T HN 0.270 nan 8.240 nan 0.000 0.444 125 V N 1.511 121.395 119.914 -0.051 0.000 2.255 125 V HA -0.176 3.945 4.120 0.001 0.000 0.247 125 V C 2.397 178.460 176.094 -0.052 0.000 1.051 125 V CA 1.581 63.684 62.300 -0.328 0.000 1.018 125 V CB -0.634 30.868 31.823 -0.535 0.000 0.641 125 V HN 0.459 nan 8.190 nan 0.000 0.445 126 I N -0.828 119.768 120.570 0.043 0.000 2.127 126 I HA -0.320 3.851 4.170 0.001 0.000 0.241 126 I C 2.472 178.688 176.117 0.164 0.000 1.075 126 I CA 2.449 63.813 61.300 0.106 0.000 1.334 126 I CB -0.529 37.544 38.000 0.122 0.000 1.040 126 I HN 0.484 nan 8.210 nan 0.000 0.405 127 Y N 1.945 122.302 120.300 0.094 0.000 2.145 127 Y HA -0.239 4.311 4.550 0.000 0.000 0.286 127 Y C 2.394 178.379 175.900 0.142 0.000 1.145 127 Y CA 1.540 59.703 58.100 0.104 0.000 1.148 127 Y CB -0.369 38.152 38.460 0.101 0.000 0.981 127 Y HN -0.048 nan 8.280 nan 0.000 0.507 128 K N -0.347 119.893 120.400 -0.268 0.000 2.097 128 K HA -0.118 4.203 4.320 0.001 0.000 0.206 128 K C 2.035 178.619 176.600 -0.026 0.000 1.049 128 K CA 1.804 57.934 56.287 -0.262 0.000 0.933 128 K CB -0.345 32.248 32.500 0.155 0.000 0.717 128 K HN 0.348 nan 8.250 nan 0.000 0.442 129 T N 2.199 116.851 114.554 0.164 0.000 2.674 129 T HA -0.124 4.227 4.350 0.001 0.000 0.265 129 T C 1.936 176.674 174.700 0.064 0.000 1.039 129 T CA 1.108 63.309 62.100 0.169 0.000 1.150 129 T CB -0.268 68.733 68.868 0.223 0.000 0.864 129 T HN 0.095 nan 8.240 nan 0.000 0.427 130 L N 0.908 122.165 121.223 0.056 0.000 2.013 130 L HA -0.121 4.220 4.340 0.001 0.000 0.212 130 L C 2.542 179.435 176.870 0.038 0.000 1.073 130 L CA 1.565 56.445 54.840 0.067 0.000 0.753 130 L CB -0.665 41.461 42.059 0.112 0.000 0.890 130 L HN 0.423 nan 8.230 nan 0.000 0.432 131 I N -4.084 116.466 120.570 -0.033 0.000 2.353 131 I HA -0.142 4.028 4.170 0.001 0.000 0.248 131 I C 2.480 178.594 176.117 -0.006 0.000 1.119 131 I CA 1.230 62.516 61.300 -0.023 0.000 1.417 131 I CB -0.378 37.569 38.000 -0.088 0.000 1.078 131 I HN 0.031 nan 8.210 nan 0.000 0.421 132 S N 1.927 117.607 115.700 -0.034 0.000 2.345 132 S HA -0.019 4.452 4.470 0.001 0.000 0.220 132 S C 2.088 176.690 174.600 0.003 0.000 1.031 132 S CA 1.385 59.573 58.200 -0.020 0.000 0.996 132 S CB -0.321 62.846 63.200 -0.055 0.000 0.882 132 S HN 0.377 nan 8.310 nan 0.000 0.445 133 I N 1.858 122.432 120.570 0.007 0.000 2.208 133 I HA -0.143 4.027 4.170 0.001 0.000 0.245 133 I C 2.428 178.556 176.117 0.019 0.000 1.097 133 I CA 1.329 62.638 61.300 0.014 0.000 1.363 133 I CB -1.035 36.980 38.000 0.026 0.000 1.051 133 I HN 0.234 nan 8.210 nan 0.000 0.413 134 K N 1.964 122.382 120.400 0.030 0.000 2.103 134 K HA -0.110 4.211 4.320 0.001 0.000 0.207 134 K C 1.746 178.356 176.600 0.018 0.000 1.048 134 K CA 1.815 58.118 56.287 0.028 0.000 0.930 134 K CB -0.309 32.215 32.500 0.040 0.000 0.716 134 K HN 0.267 nan 8.250 nan 0.000 0.444 135 A N -1.000 121.850 122.820 0.050 0.000 2.275 135 A HA 0.383 4.703 4.320 0.001 0.000 0.212 135 A C 1.131 178.730 177.584 0.025 0.000 1.201 135 A CA 0.499 52.583 52.037 0.078 0.000 0.843 135 A CB -0.397 18.741 19.000 0.229 0.000 0.873 135 A HN 0.514 nan 8.150 nan 0.000 0.492 136 G N -0.337 108.464 108.800 0.003 0.000 2.132 136 G HA2 -0.202 3.758 3.960 0.001 0.000 0.228 136 G HA3 -0.202 3.758 3.960 0.001 0.000 0.228 136 G C -0.272 174.627 174.900 -0.002 0.000 1.000 136 G CA 0.043 45.137 45.100 -0.010 0.000 0.693 136 G HN 0.494 nan 8.290 nan 0.000 0.515 137 N N -0.018 118.683 118.700 0.001 0.000 2.472 137 N HA 0.616 5.357 4.740 0.001 0.000 0.289 137 N C 0.004 175.496 175.510 -0.030 0.000 1.156 137 N CA -0.240 52.803 53.050 -0.012 0.000 0.940 137 N CB 1.627 40.106 38.487 -0.013 0.000 1.200 137 N HN 0.141 nan 8.380 nan 0.000 0.511 138 S N 0.369 116.042 115.700 -0.046 0.000 2.693 138 S HA 0.600 5.071 4.470 0.001 0.000 0.276 138 S C -0.033 174.496 174.600 -0.117 0.000 1.192 138 S CA -0.580 57.580 58.200 -0.067 0.000 0.994 138 S CB 0.899 64.061 63.200 -0.062 0.000 1.012 138 S HN 0.489 nan 8.310 nan 0.000 0.550 139 I N 1.212 121.679 120.570 -0.173 0.000 2.644 139 I HA 0.480 4.651 4.170 0.001 0.000 0.291 139 I C -1.858 174.007 176.117 -0.420 0.000 1.180 139 I CA -0.574 60.523 61.300 -0.339 0.000 1.040 139 I CB 1.504 39.235 38.000 -0.449 0.000 1.255 139 I HN 0.328 nan 8.210 nan 0.000 0.422 140 V N 7.483 127.140 119.914 -0.428 0.000 2.444 140 V HA 0.451 4.571 4.120 0.001 0.000 0.294 140 V C -0.596 175.289 176.094 -0.347 0.000 1.022 140 V CA -0.467 61.649 62.300 -0.306 0.000 0.850 140 V CB 1.356 33.086 31.823 -0.157 0.000 0.992 140 V HN 0.432 nan 8.190 nan 0.000 0.426 141 F N 2.079 122.030 119.950 0.001 0.000 2.385 141 F HA 0.485 5.012 4.527 0.000 0.000 0.336 141 F C 0.921 176.729 175.800 0.012 0.000 1.100 141 F CA -0.159 57.849 58.000 0.013 0.000 1.116 141 F CB 1.737 40.751 39.000 0.023 0.000 1.166 141 F HN 0.427 nan 8.300 nan 0.000 0.511 142 S N 5.115 120.953 115.700 0.229 0.000 2.423 142 S HA 0.442 4.913 4.470 0.001 0.000 0.317 142 S C -2.651 172.039 174.600 0.150 0.000 1.065 142 S CA -1.729 56.556 58.200 0.141 0.000 1.111 142 S CB 0.164 63.418 63.200 0.090 0.000 0.968 142 S HN 0.261 nan 8.310 nan 0.000 0.474 143 P HA 0.157 nan 4.420 nan 0.000 0.285 143 P C -0.617 176.743 177.300 0.099 0.000 1.259 143 P CA -0.425 62.735 63.100 0.100 0.000 0.794 143 P CB 0.423 32.163 31.700 0.067 0.000 0.940 144 H N 5.946 125.039 119.070 0.039 0.000 2.886 144 H HA 0.040 4.596 4.556 0.000 0.000 0.329 144 H C -1.264 174.070 175.328 0.010 0.000 1.044 144 H CA -1.181 54.887 56.048 0.034 0.000 1.456 144 H CB 0.727 30.517 29.762 0.046 0.000 1.464 144 H HN 0.265 nan 8.280 nan 0.000 0.573 145 P HA -0.125 nan 4.420 nan 0.000 0.220 145 P C 0.641 178.007 177.300 0.111 0.000 1.148 145 P CA 0.876 64.000 63.100 0.040 0.000 0.803 145 P CB 0.509 32.185 31.700 -0.041 0.000 0.782 146 N N -0.124 118.749 118.700 0.287 0.000 2.521 146 N HA 0.038 4.778 4.740 0.001 0.000 0.188 146 N C 1.128 176.611 175.510 -0.047 0.000 1.146 146 N CA 0.716 53.816 53.050 0.083 0.000 0.893 146 N CB -0.182 38.319 38.487 0.023 0.000 0.975 146 N HN 0.171 nan 8.380 nan 0.000 0.451 147 A N -0.391 122.439 122.820 0.016 0.000 2.605 147 A HA 0.222 4.542 4.320 0.001 0.000 0.292 147 A C 1.465 179.041 177.584 -0.013 0.000 1.055 147 A CA -0.388 51.623 52.037 -0.042 0.000 0.969 147 A CB 0.011 18.980 19.000 -0.051 0.000 1.236 147 A HN 0.103 nan 8.150 nan 0.000 0.534 148 L N 0.503 121.729 121.223 0.004 0.000 1.990 148 L HA -0.138 4.202 4.340 0.001 0.000 0.213 148 L C 2.100 178.962 176.870 -0.013 0.000 1.072 148 L CA 2.492 57.334 54.840 0.004 0.000 0.755 148 L CB -0.426 41.637 42.059 0.006 0.000 0.889 148 L HN 0.395 nan 8.230 nan 0.000 0.432 149 K N -0.725 119.659 120.400 -0.026 0.000 2.057 149 K HA -0.116 4.205 4.320 0.001 0.000 0.207 149 K C 2.085 178.663 176.600 -0.037 0.000 1.049 149 K CA 1.450 57.718 56.287 -0.032 0.000 0.931 149 K CB -0.443 32.032 32.500 -0.042 0.000 0.714 149 K HN 0.520 nan 8.250 nan 0.000 0.440 150 A N 1.042 123.834 122.820 -0.047 0.000 1.930 150 A HA -0.124 4.197 4.320 0.001 0.000 0.217 150 A C 2.100 179.657 177.584 -0.045 0.000 1.175 150 A CA 1.247 53.255 52.037 -0.048 0.000 0.627 150 A CB -0.515 18.450 19.000 -0.058 0.000 0.815 150 A HN 0.172 nan 8.150 nan 0.000 0.443 151 I N -0.431 120.111 120.570 -0.047 0.000 2.163 151 I HA -0.232 3.938 4.170 0.001 0.000 0.240 151 I C 2.396 178.478 176.117 -0.059 0.000 1.081 151 I CA 1.006 62.263 61.300 -0.071 0.000 1.353 151 I CB -0.355 37.607 38.000 -0.063 0.000 1.054 151 I HN 0.271 nan 8.210 nan 0.000 0.407 152 L N 0.411 121.619 121.223 -0.026 0.000 2.043 152 L HA -0.260 4.080 4.340 0.001 0.000 0.212 152 L C 2.627 179.492 176.870 -0.008 0.000 1.075 152 L CA 1.591 56.428 54.840 -0.006 0.000 0.752 152 L CB -0.513 41.547 42.059 0.001 0.000 0.891 152 L HN 0.288 nan 8.230 nan 0.000 0.432 153 E N -0.222 119.968 120.200 -0.017 0.000 2.107 153 E HA -0.154 4.196 4.350 0.001 0.000 0.191 153 E C 1.941 178.534 176.600 -0.012 0.000 0.982 153 E CA 1.730 58.121 56.400 -0.013 0.000 0.809 153 E CB -0.074 29.615 29.700 -0.018 0.000 0.756 153 E HN 0.318 nan 8.360 nan 0.000 0.459 154 T N -0.028 114.511 114.554 -0.025 0.000 2.684 154 T HA -0.157 4.193 4.350 0.001 0.000 0.267 154 T C 1.897 176.584 174.700 -0.021 0.000 1.036 154 T CA 1.550 63.633 62.100 -0.028 0.000 1.148 154 T CB -0.473 68.358 68.868 -0.061 0.000 0.863 154 T HN 0.020 nan 8.240 nan 0.000 0.436 155 V N 1.355 121.252 119.914 -0.028 0.000 2.295 155 V HA -0.172 3.948 4.120 0.001 0.000 0.246 155 V C 2.692 178.810 176.094 0.039 0.000 1.049 155 V CA 1.716 64.030 62.300 0.023 0.000 1.024 155 V CB -0.619 31.240 31.823 0.060 0.000 0.648 155 V HN 0.365 nan 8.190 nan 0.000 0.447 156 R N -0.262 120.253 120.500 0.024 0.000 2.096 156 R HA -0.178 4.163 4.340 0.001 0.000 0.240 156 R C 2.274 178.587 176.300 0.021 0.000 1.139 156 R CA 2.061 58.174 56.100 0.022 0.000 0.952 156 R CB -0.336 29.972 30.300 0.013 0.000 0.854 156 R HN 0.470 nan 8.270 nan 0.000 0.436 157 I N 1.067 121.647 120.570 0.016 0.000 2.163 157 I HA -0.285 3.885 4.170 0.001 0.000 0.240 157 I C 2.393 178.524 176.117 0.023 0.000 1.081 157 I CA 1.353 62.663 61.300 0.017 0.000 1.353 157 I CB -0.253 37.756 38.000 0.014 0.000 1.054 157 I HN 0.318 nan 8.210 nan 0.000 0.407 158 I N -2.831 117.757 120.570 0.030 0.000 2.761 158 I HA -0.123 4.047 4.170 0.001 0.000 0.261 158 I C 2.481 178.623 176.117 0.041 0.000 1.198 158 I CA 1.063 62.386 61.300 0.038 0.000 1.482 158 I CB -0.297 37.732 38.000 0.048 0.000 1.100 158 I HN 0.033 nan 8.210 nan 0.000 0.445 159 S N 1.333 117.059 115.700 0.045 0.000 2.355 159 S HA -0.155 4.316 4.470 0.001 0.000 0.222 159 S C 1.895 176.512 174.600 0.029 0.000 1.031 159 S CA 1.613 59.840 58.200 0.044 0.000 0.993 159 S CB -0.215 63.014 63.200 0.048 0.000 0.859 159 S HN 0.576 nan 8.310 nan 0.000 0.453 160 E N 0.639 120.853 120.200 0.024 0.000 2.110 160 E HA -0.093 4.257 4.350 0.001 0.000 0.193 160 E C 2.236 178.845 176.600 0.014 0.000 0.988 160 E CA 1.047 57.458 56.400 0.017 0.000 0.804 160 E CB -0.213 29.496 29.700 0.014 0.000 0.745 160 E HN 0.560 nan 8.360 nan 0.000 0.458 161 A N 1.278 124.107 122.820 0.015 0.000 1.929 161 A HA 0.004 4.324 4.320 0.001 0.000 0.216 161 A C 2.358 179.947 177.584 0.009 0.000 1.176 161 A CA 1.323 53.366 52.037 0.010 0.000 0.628 161 A CB -0.510 18.495 19.000 0.009 0.000 0.816 161 A HN 0.280 nan 8.150 nan 0.000 0.444 162 A N 0.198 123.027 122.820 0.015 0.000 1.865 162 A HA -0.224 4.096 4.320 0.001 0.000 0.217 162 A C 1.901 179.492 177.584 0.012 0.000 1.191 162 A CA 1.846 53.893 52.037 0.016 0.000 0.623 162 A CB -0.654 18.361 19.000 0.025 0.000 0.826 162 A HN 0.611 nan 8.150 nan 0.000 0.444 163 E N -0.690 119.517 120.200 0.013 0.000 2.110 163 E HA -0.199 4.151 4.350 0.001 0.000 0.193 163 E C 2.075 178.679 176.600 0.007 0.000 0.988 163 E CA 1.384 57.789 56.400 0.009 0.000 0.804 163 E CB -0.111 29.595 29.700 0.010 0.000 0.745 163 E HN 0.665 nan 8.360 nan 0.000 0.458 164 K N 0.559 120.963 120.400 0.007 0.000 2.148 164 K HA -0.065 4.255 4.320 0.001 0.000 0.204 164 K C 1.815 178.417 176.600 0.003 0.000 1.050 164 K CA 1.063 57.352 56.287 0.005 0.000 0.942 164 K CB 0.010 32.513 32.500 0.005 0.000 0.724 164 K HN 0.081 nan 8.250 nan 0.000 0.446 165 A N -0.372 122.450 122.820 0.003 0.000 2.238 165 A HA 0.195 4.515 4.320 0.001 0.000 0.208 165 A C 1.338 178.924 177.584 0.003 0.000 1.177 165 A CA 0.939 52.977 52.037 0.002 0.000 0.804 165 A CB -0.158 18.843 19.000 0.002 0.000 0.823 165 A HN 0.557 nan 8.150 nan 0.000 0.482 166 G N -2.201 106.601 108.800 0.003 0.000 2.296 166 G HA2 -0.195 3.765 3.960 0.001 0.000 0.188 166 G HA3 -0.195 3.765 3.960 0.001 0.000 0.188 166 G C 0.387 175.288 174.900 0.002 0.000 1.000 166 G CA -0.074 45.028 45.100 0.002 0.000 0.672 166 G HN 0.864 nan 8.290 nan 0.000 0.483 167 C N 3.493 122.796 119.300 0.004 0.000 2.642 167 C HA 0.543 5.003 4.460 0.001 0.000 0.420 167 C C -1.318 173.674 174.990 0.003 0.000 1.349 167 C CA -0.986 58.035 59.018 0.005 0.000 1.821 167 C CB 0.112 27.858 27.740 0.009 0.000 2.637 167 C HN 0.380 nan 8.230 nan 0.000 0.605 168 P HA 0.160 nan 4.420 nan 0.000 0.268 168 P C -0.734 176.566 177.300 0.000 0.000 1.205 168 P CA 0.085 63.184 63.100 -0.001 0.000 0.771 168 P CB 0.409 32.106 31.700 -0.005 0.000 0.858 169 K N 1.827 122.227 120.400 0.001 0.000 2.485 169 K HA 0.296 4.616 4.320 0.001 0.000 0.277 169 K C 1.483 178.082 176.600 -0.002 0.000 0.990 169 K CA 1.698 57.986 56.287 0.002 0.000 0.994 169 K CB -0.565 31.936 32.500 0.002 0.000 0.906 169 K HN 0.732 nan 8.250 nan 0.000 0.488 170 G N 1.645 110.445 108.800 -0.000 0.000 2.199 170 G HA2 -0.342 3.618 3.960 0.001 0.000 0.254 170 G HA3 -0.342 3.618 3.960 0.001 0.000 0.254 170 G C 0.964 175.854 174.900 -0.016 0.000 0.982 170 G CA 0.591 45.686 45.100 -0.008 0.000 0.632 170 G HN 0.716 nan 8.290 nan 0.000 0.529 171 A N -0.577 122.236 122.820 -0.011 0.000 2.014 171 A HA 0.549 4.869 4.320 0.001 0.000 0.218 171 A C 1.073 178.644 177.584 -0.021 0.000 1.163 171 A CA 1.431 53.456 52.037 -0.019 0.000 0.652 171 A CB -0.022 18.972 19.000 -0.010 0.000 0.808 171 A HN 0.905 nan 8.150 nan 0.000 0.449 172 I N 0.718 121.293 120.570 0.007 0.000 2.439 172 I HA 0.347 4.518 4.170 0.001 0.000 0.283 172 I C -0.277 175.881 176.117 0.069 0.000 1.023 172 I CA -0.214 61.112 61.300 0.043 0.000 1.100 172 I CB 2.070 40.127 38.000 0.095 0.000 1.238 172 I HN 0.216 nan 8.210 nan 0.000 0.445 173 S N 4.252 119.991 115.700 0.064 0.000 2.685 173 S HA 0.794 5.265 4.470 0.001 0.000 0.282 173 S C -1.170 173.528 174.600 0.162 0.000 1.159 173 S CA -0.807 57.443 58.200 0.083 0.000 0.833 173 S CB 2.404 65.615 63.200 0.018 0.000 1.151 173 S HN 0.658 nan 8.310 nan 0.000 0.485 174 C N 1.587 120.968 119.300 0.135 0.000 2.891 174 C HA 0.591 5.051 4.460 0.001 0.000 0.342 174 C C -0.563 174.480 174.990 0.088 0.000 1.126 174 C CA -0.639 58.481 59.018 0.170 0.000 1.322 174 C CB 0.587 28.436 27.740 0.182 0.000 1.763 174 C HN 1.025 nan 8.230 nan 0.000 0.491 175 M N 4.151 123.797 119.600 0.077 0.000 2.260 175 M HA 0.119 4.599 4.480 0.001 0.000 0.348 175 M C 1.546 177.870 176.300 0.041 0.000 1.342 175 M CA 0.776 56.102 55.300 0.045 0.000 1.040 175 M CB 0.686 33.310 32.600 0.040 0.000 1.810 175 M HN 0.899 nan 8.290 nan 0.000 0.453 176 T N -1.022 113.548 114.554 0.026 0.000 3.037 176 T HA 0.211 4.561 4.350 0.001 0.000 0.251 176 T C 0.393 175.101 174.700 0.013 0.000 1.079 176 T CA -0.143 61.969 62.100 0.019 0.000 1.067 176 T CB 0.176 69.053 68.868 0.014 0.000 0.948 176 T HN 0.455 nan 8.240 nan 0.000 0.496 177 V N 3.784 123.705 119.914 0.011 0.000 2.305 177 V HA 0.419 4.540 4.120 0.001 0.000 0.275 177 V C -2.807 173.290 176.094 0.005 0.000 1.020 177 V CA -2.237 60.067 62.300 0.006 0.000 0.811 177 V CB 1.172 32.997 31.823 0.004 0.000 1.031 177 V HN 0.187 nan 8.190 nan 0.000 0.439 178 P HA 0.336 nan 4.420 nan 0.000 0.276 178 P C -0.139 177.153 177.300 -0.014 0.000 1.264 178 P CA 0.240 63.337 63.100 -0.005 0.000 0.769 178 P CB 0.637 32.328 31.700 -0.014 0.000 0.840 179 T N -0.571 113.976 114.554 -0.010 0.000 2.903 179 T HA 0.447 4.797 4.350 0.001 0.000 0.299 179 T C 1.127 175.820 174.700 -0.012 0.000 1.093 179 T CA -0.880 61.213 62.100 -0.012 0.000 1.002 179 T CB 0.960 69.825 68.868 -0.005 0.000 1.127 179 T HN 0.233 nan 8.240 nan 0.000 0.488 180 I N -0.510 120.052 120.570 -0.014 0.000 2.493 180 I HA -0.039 4.131 4.170 0.001 0.000 0.254 180 I C 2.131 178.248 176.117 0.001 0.000 1.160 180 I CA 0.942 62.237 61.300 -0.009 0.000 1.445 180 I CB -0.575 37.420 38.000 -0.009 0.000 1.086 180 I HN 0.566 nan 8.210 nan 0.000 0.433 181 Q N 1.774 121.575 119.800 0.002 0.000 2.172 181 Q HA 0.056 4.397 4.340 0.001 0.000 0.200 181 Q C 2.347 178.353 176.000 0.011 0.000 0.964 181 Q CA 1.707 57.514 55.803 0.007 0.000 0.855 181 Q CB -0.537 28.204 28.738 0.006 0.000 0.918 181 Q HN 0.691 nan 8.270 nan 0.000 0.444 182 G N -0.670 108.135 108.800 0.009 0.000 2.394 182 G HA2 -0.186 3.775 3.960 0.001 0.000 0.215 182 G HA3 -0.186 3.775 3.960 0.001 0.000 0.215 182 G C 1.363 176.271 174.900 0.013 0.000 1.165 182 G CA 1.137 46.244 45.100 0.011 0.000 0.784 182 G HN 0.286 nan 8.290 nan 0.000 0.535 183 T N 0.439 114.999 114.554 0.011 0.000 2.904 183 T HA -0.055 4.296 4.350 0.001 0.000 0.267 183 T C 1.950 176.658 174.700 0.015 0.000 1.059 183 T CA 1.431 63.538 62.100 0.013 0.000 1.137 183 T CB -0.178 68.696 68.868 0.011 0.000 0.879 183 T HN 0.374 nan 8.240 nan 0.000 0.467 184 D N 0.736 121.145 120.400 0.014 0.000 2.117 184 D HA -0.142 4.499 4.640 0.001 0.000 0.197 184 D C 2.230 178.546 176.300 0.026 0.000 0.987 184 D CA 1.040 55.050 54.000 0.017 0.000 0.829 184 D CB -0.081 40.728 40.800 0.014 0.000 0.961 184 D HN 0.207 nan 8.370 nan 0.000 0.460 185 Q N -0.199 119.622 119.800 0.034 0.000 2.079 185 Q HA -0.083 4.257 4.340 0.001 0.000 0.200 185 Q C 2.009 178.056 176.000 0.079 0.000 0.974 185 Q CA 1.052 56.892 55.803 0.062 0.000 0.840 185 Q CB -0.613 28.164 28.738 0.065 0.000 0.898 185 Q HN 0.415 nan 8.270 nan 0.000 0.430 186 L N -0.426 120.819 121.223 0.037 0.000 2.042 186 L HA -0.107 4.234 4.340 0.001 0.000 0.210 186 L C 2.094 178.978 176.870 0.024 0.000 1.076 186 L CA 1.928 56.776 54.840 0.014 0.000 0.749 186 L CB -0.381 41.674 42.059 -0.006 0.000 0.893 186 L HN 0.354 nan 8.230 nan 0.000 0.432 187 M N -1.231 118.381 119.600 0.019 0.000 2.156 187 M HA -0.160 4.320 4.480 0.001 0.000 0.264 187 M C 2.153 178.463 176.300 0.018 0.000 1.067 187 M CA 1.582 56.885 55.300 0.004 0.000 1.131 187 M CB -0.220 32.376 32.600 -0.007 0.000 1.368 187 M HN 0.118 nan 8.290 nan 0.000 0.416 188 K N -1.058 119.361 120.400 0.033 0.000 2.296 188 K HA -0.019 4.301 4.320 0.001 0.000 0.200 188 K C 0.756 177.375 176.600 0.032 0.000 1.048 188 K CA 0.117 56.418 56.287 0.022 0.000 0.966 188 K CB -0.137 32.368 32.500 0.010 0.000 0.754 188 K HN 0.278 nan 8.250 nan 0.000 0.466 189 H N 1.871 120.930 119.070 -0.017 0.000 3.038 189 H HA -0.085 4.471 4.556 0.000 0.000 0.338 189 H C 1.151 176.469 175.328 -0.017 0.000 1.041 189 H CA 1.157 57.195 56.048 -0.016 0.000 1.394 189 H CB 0.968 30.719 29.762 -0.018 0.000 1.357 189 H HN 0.015 nan 8.280 nan 0.000 0.600 190 K N 3.044 123.363 120.400 -0.135 0.000 2.097 190 K HA -0.142 4.179 4.320 0.001 0.000 0.206 190 K C 0.608 177.271 176.600 0.105 0.000 1.049 190 K CA 1.544 57.815 56.287 -0.027 0.000 0.933 190 K CB 0.239 32.674 32.500 -0.108 0.000 0.717 190 K HN 0.597 nan 8.250 nan 0.000 0.442 191 D N 0.454 121.038 120.400 0.308 0.000 2.347 191 D HA -0.026 4.614 4.640 0.001 0.000 0.213 191 D C -0.026 176.322 176.300 0.081 0.000 0.985 191 D CA 0.515 54.622 54.000 0.178 0.000 0.879 191 D CB 0.128 41.029 40.800 0.169 0.000 0.919 191 D HN 0.097 nan 8.370 nan 0.000 0.526 192 T N 0.891 115.502 114.554 0.096 0.000 2.769 192 T HA 0.301 4.652 4.350 0.001 0.000 0.293 192 T C 1.190 175.898 174.700 0.012 0.000 0.931 192 T CA -0.153 61.960 62.100 0.022 0.000 1.139 192 T CB 1.657 70.541 68.868 0.026 0.000 0.881 192 T HN 0.002 nan 8.240 nan 0.000 0.532 193 A N 3.833 126.647 122.820 -0.009 0.000 2.044 193 A HA 0.504 4.825 4.320 0.001 0.000 0.213 193 A C 0.796 178.369 177.584 -0.019 0.000 1.169 193 A CA 0.227 52.260 52.037 -0.008 0.000 0.724 193 A CB 0.497 19.493 19.000 -0.006 0.000 0.840 193 A HN 0.609 nan 8.150 nan 0.000 0.463 194 V N -0.396 119.498 119.914 -0.034 0.000 3.147 194 V HA 0.462 4.582 4.120 0.001 0.000 0.299 194 V C -2.111 173.946 176.094 -0.062 0.000 1.302 194 V CA -0.769 61.503 62.300 -0.047 0.000 1.015 194 V CB 2.223 34.025 31.823 -0.037 0.000 1.086 194 V HN 0.258 nan 8.190 nan 0.000 0.437 195 I N 5.478 125.998 120.570 -0.082 0.000 2.389 195 I HA 0.456 4.626 4.170 0.001 0.000 0.288 195 I C -0.556 175.522 176.117 -0.064 0.000 0.999 195 I CA -0.461 60.791 61.300 -0.081 0.000 1.129 195 I CB 1.706 39.641 38.000 -0.110 0.000 1.288 195 I HN 0.345 nan 8.210 nan 0.000 0.444 196 L N 6.482 127.691 121.223 -0.023 0.000 2.282 196 L HA 0.476 4.816 4.340 0.001 0.000 0.287 196 L C 0.521 177.421 176.870 0.050 0.000 1.075 196 L CA -0.326 54.529 54.840 0.025 0.000 0.839 196 L CB 0.799 42.891 42.059 0.055 0.000 1.219 196 L HN 0.704 nan 8.230 nan 0.000 0.434 197 A N 2.811 125.654 122.820 0.040 0.000 2.880 197 A HA 0.467 4.787 4.320 0.001 0.000 0.328 197 A C 0.203 177.844 177.584 0.096 0.000 1.440 197 A CA -0.358 51.709 52.037 0.050 0.000 1.068 197 A CB -0.215 18.788 19.000 0.006 0.000 1.163 197 A HN 0.580 nan 8.150 nan 0.000 0.510 198 T N 1.274 115.901 114.554 0.122 0.000 2.753 198 T HA 0.669 5.019 4.350 0.001 0.000 0.297 198 T C 0.568 175.351 174.700 0.138 0.000 0.981 198 T CA 0.454 62.638 62.100 0.139 0.000 0.956 198 T CB 1.058 70.026 68.868 0.168 0.000 0.936 198 T HN 1.313 nan 8.240 nan 0.000 0.463 199 G N 1.970 110.849 108.800 0.130 0.000 2.344 199 G HA2 0.509 4.469 3.960 0.001 0.000 0.282 199 G HA3 0.509 4.469 3.960 0.001 0.000 0.282 199 G C -0.146 174.824 174.900 0.118 0.000 1.281 199 G CA -0.395 44.785 45.100 0.133 0.000 0.877 199 G HN 0.803 nan 8.290 nan 0.000 0.494 200 G N -0.653 108.215 108.800 0.113 0.000 2.667 200 G HA2 0.429 4.389 3.960 0.001 0.000 0.250 200 G HA3 0.429 4.389 3.960 0.001 0.000 0.250 200 G C 1.261 176.214 174.900 0.088 0.000 1.212 200 G CA 0.952 46.109 45.100 0.095 0.000 0.874 200 G HN 1.061 nan 8.290 nan 0.000 0.561 201 S N 0.121 115.868 115.700 0.078 0.000 2.399 201 S HA -0.094 4.377 4.470 0.001 0.000 0.231 201 S C 2.645 177.289 174.600 0.073 0.000 1.022 201 S CA 1.297 59.542 58.200 0.075 0.000 0.983 201 S CB -0.226 63.011 63.200 0.063 0.000 0.803 201 S HN 0.785 nan 8.310 nan 0.000 0.480 202 A N 0.400 123.258 122.820 0.063 0.000 2.016 202 A HA 0.059 4.380 4.320 0.001 0.000 0.217 202 A C 1.975 179.596 177.584 0.061 0.000 1.162 202 A CA 1.099 53.170 52.037 0.056 0.000 0.662 202 A CB -0.404 18.622 19.000 0.045 0.000 0.812 202 A HN 0.445 nan 8.150 nan 0.000 0.450 203 M N -0.424 119.217 119.600 0.068 0.000 2.156 203 M HA -0.003 4.477 4.480 0.001 0.000 0.264 203 M C 1.811 178.156 176.300 0.075 0.000 1.067 203 M CA 1.524 56.864 55.300 0.066 0.000 1.131 203 M CB -0.404 32.240 32.600 0.074 0.000 1.368 203 M HN 0.117 nan 8.290 nan 0.000 0.416 204 V N -0.571 119.404 119.914 0.101 0.000 2.488 204 V HA -0.160 3.960 4.120 0.001 0.000 0.246 204 V C 2.267 178.482 176.094 0.203 0.000 1.046 204 V CA 1.426 63.811 62.300 0.141 0.000 1.053 204 V CB -0.680 31.244 31.823 0.169 0.000 0.679 204 V HN 0.467 nan 8.190 nan 0.000 0.458 205 K N 0.418 120.912 120.400 0.156 0.000 2.211 205 K HA -0.119 4.201 4.320 0.001 0.000 0.203 205 K C 2.136 178.812 176.600 0.126 0.000 1.050 205 K CA 1.286 57.663 56.287 0.151 0.000 0.945 205 K CB -0.209 32.346 32.500 0.092 0.000 0.732 205 K HN 0.450 nan 8.250 nan 0.000 0.451 206 A N 0.849 123.721 122.820 0.086 0.000 1.930 206 A HA -0.068 4.252 4.320 0.001 0.000 0.217 206 A C 2.255 179.860 177.584 0.035 0.000 1.175 206 A CA 1.655 53.725 52.037 0.055 0.000 0.627 206 A CB -0.598 18.425 19.000 0.039 0.000 0.815 206 A HN 0.421 nan 8.150 nan 0.000 0.443 207 A N -1.590 121.237 122.820 0.012 0.000 1.930 207 A HA -0.039 4.282 4.320 0.001 0.000 0.217 207 A C 1.916 179.401 177.584 -0.166 0.000 1.175 207 A CA 1.329 53.307 52.037 -0.098 0.000 0.627 207 A CB -0.693 18.204 19.000 -0.173 0.000 0.815 207 A HN 0.563 nan 8.150 nan 0.000 0.443 208 Y N 0.283 120.595 120.300 0.020 0.000 2.529 208 Y HA 0.065 4.615 4.550 0.001 0.000 0.290 208 Y C 1.919 177.826 175.900 0.013 0.000 1.177 208 Y CA 0.954 59.063 58.100 0.016 0.000 1.305 208 Y CB 0.241 38.711 38.460 0.016 0.000 1.047 208 Y HN 0.250 nan 8.280 nan 0.000 0.522 209 S N -1.678 114.092 115.700 0.117 0.000 2.554 209 S HA -0.024 4.447 4.470 0.001 0.000 0.226 209 S C 1.837 176.460 174.600 0.038 0.000 0.980 209 S CA 0.491 58.735 58.200 0.074 0.000 0.939 209 S CB -0.008 63.230 63.200 0.064 0.000 0.832 209 S HN 0.475 nan 8.310 nan 0.000 0.486 210 S N 1.070 116.781 115.700 0.017 0.000 2.470 210 S HA 0.282 4.753 4.470 0.001 0.000 0.225 210 S C 1.772 176.372 174.600 0.000 0.000 1.006 210 S CA 0.786 58.986 58.200 0.001 0.000 0.934 210 S CB -0.287 62.901 63.200 -0.020 0.000 0.778 210 S HN 0.739 nan 8.310 nan 0.000 0.517 211 G N 0.213 109.017 108.800 0.006 0.000 2.195 211 G HA2 -0.212 3.748 3.960 0.001 0.000 0.246 211 G HA3 -0.212 3.748 3.960 0.001 0.000 0.246 211 G C 0.176 175.074 174.900 -0.003 0.000 0.984 211 G CA 0.319 45.422 45.100 0.005 0.000 0.633 211 G HN 0.673 nan 8.290 nan 0.000 0.525 212 T N 2.707 117.251 114.554 -0.017 0.000 2.824 212 T HA 0.575 4.926 4.350 0.001 0.000 0.280 212 T C -2.462 172.206 174.700 -0.053 0.000 0.995 212 T CA -0.987 61.096 62.100 -0.028 0.000 1.009 212 T CB 2.214 71.064 68.868 -0.030 0.000 0.955 212 T HN 0.028 nan 8.240 nan 0.000 0.452 213 P HA 0.285 nan 4.420 nan 0.000 0.260 213 P C -1.224 175.994 177.300 -0.135 0.000 1.172 213 P CA 0.029 63.099 63.100 -0.051 0.000 0.760 213 P CB 0.263 31.951 31.700 -0.020 0.000 0.773 214 A N 4.000 126.660 122.820 -0.266 0.000 2.380 214 A HA 0.783 5.103 4.320 0.001 0.000 0.315 214 A C -0.861 176.536 177.584 -0.312 0.000 1.101 214 A CA -0.813 50.940 52.037 -0.473 0.000 0.771 214 A CB 1.168 19.547 19.000 -1.035 0.000 1.287 214 A HN 0.631 nan 8.150 nan 0.000 0.436 215 I N 1.671 122.144 120.570 -0.163 0.000 2.439 215 I HA 0.690 4.860 4.170 0.001 0.000 0.285 215 I C 0.049 176.210 176.117 0.072 0.000 1.021 215 I CA -0.355 60.971 61.300 0.042 0.000 1.091 215 I CB 1.264 39.299 38.000 0.058 0.000 1.242 215 I HN 0.720 nan 8.210 nan 0.000 0.439 216 G N 6.246 115.190 108.800 0.239 0.000 2.471 216 G HA2 0.626 4.586 3.960 0.001 0.000 0.332 216 G HA3 0.626 4.586 3.960 0.001 0.000 0.332 216 G C -0.507 174.482 174.900 0.148 0.000 1.176 216 G CA -0.527 44.711 45.100 0.231 0.000 0.949 216 G HN 0.705 nan 8.290 nan 0.000 0.488 217 V N -1.554 118.431 119.914 0.118 0.000 3.267 217 V HA 1.034 5.155 4.120 0.001 0.000 0.317 217 V C 0.539 176.681 176.094 0.080 0.000 1.131 217 V CA -0.178 62.161 62.300 0.065 0.000 1.031 217 V CB 1.403 33.274 31.823 0.080 0.000 1.159 217 V HN 1.184 nan 8.190 nan 0.000 0.454 218 G N -0.500 108.343 108.800 0.073 0.000 2.714 218 G HA2 0.752 4.712 3.960 0.001 0.000 0.292 218 G HA3 0.752 4.712 3.960 0.001 0.000 0.292 218 G C -3.215 171.816 174.900 0.217 0.000 1.308 218 G CA -1.731 43.442 45.100 0.122 0.000 0.964 218 G HN 0.699 nan 8.290 nan 0.000 0.484 219 P HA 0.293 nan 4.420 nan 0.000 0.271 219 P C 0.251 177.630 177.300 0.132 0.000 1.220 219 P CA 0.064 63.241 63.100 0.129 0.000 0.768 219 P CB 1.117 32.865 31.700 0.079 0.000 0.848 220 G N 1.862 110.647 108.800 -0.025 0.000 2.320 220 G HA2 0.263 4.224 3.960 0.001 0.000 0.300 220 G HA3 0.263 4.224 3.960 0.001 0.000 0.300 220 G C 0.074 174.888 174.900 -0.143 0.000 1.126 220 G CA -0.147 44.756 45.100 -0.328 0.000 0.896 220 G HN 0.453 nan 8.290 nan 0.000 0.436 221 N N 1.507 120.157 118.700 -0.083 0.000 2.588 221 N HA 0.176 4.917 4.740 0.001 0.000 0.298 221 N C 0.636 176.142 175.510 -0.008 0.000 1.718 221 N CA -0.275 52.763 53.050 -0.021 0.000 0.888 221 N CB 0.452 38.949 38.487 0.016 0.000 1.389 221 N HN 0.545 nan 8.380 nan 0.000 0.491 222 G N 1.529 110.311 108.800 -0.031 0.000 2.354 222 G HA2 0.275 4.235 3.960 0.001 0.000 0.266 222 G HA3 0.275 4.235 3.960 0.001 0.000 0.266 222 G C -2.555 172.370 174.900 0.041 0.000 1.242 222 G CA -0.662 44.438 45.100 0.001 0.000 0.923 222 G HN 0.173 nan 8.290 nan 0.000 0.476 223 P HA 0.306 nan 4.420 nan 0.000 0.271 223 P C -0.353 177.027 177.300 0.133 0.000 1.218 223 P CA -0.088 63.066 63.100 0.091 0.000 0.780 223 P CB 1.216 32.953 31.700 0.061 0.000 0.901 224 A N 3.324 126.246 122.820 0.170 0.000 2.293 224 A HA 0.443 4.764 4.320 0.001 0.000 0.312 224 A C -1.109 176.652 177.584 0.295 0.000 1.309 224 A CA -0.445 51.728 52.037 0.228 0.000 0.839 224 A CB -0.411 18.745 19.000 0.260 0.000 1.155 224 A HN 0.436 nan 8.150 nan 0.000 0.501 225 F N 4.852 124.867 119.950 0.108 0.000 2.375 225 F HA 0.467 4.995 4.527 0.002 0.000 0.362 225 F C -0.216 175.632 175.800 0.080 0.000 1.129 225 F CA -1.635 56.407 58.000 0.070 0.000 1.154 225 F CB 0.247 39.277 39.000 0.050 0.000 1.205 225 F HN 0.451 nan 8.300 nan 0.000 0.513 226 I N 6.268 126.855 120.570 0.028 0.000 2.278 226 I HA 0.107 4.277 4.170 0.001 0.000 0.296 226 I C 0.596 176.437 176.117 -0.459 0.000 1.121 226 I CA -0.199 61.014 61.300 -0.145 0.000 1.267 226 I CB 0.097 38.087 38.000 -0.017 0.000 1.447 226 I HN 0.506 nan 8.210 nan 0.000 0.509 227 E N 6.860 126.535 120.200 -0.875 0.000 2.374 227 E HA 0.067 4.417 4.350 0.001 0.000 0.260 227 E C 1.153 177.560 176.600 -0.323 0.000 1.101 227 E CA -0.391 55.447 56.400 -0.936 0.000 0.907 227 E CB 0.972 30.046 29.700 -1.043 0.000 1.014 227 E HN 0.654 nan 8.360 nan 0.000 0.427 228 R N 0.848 121.265 120.500 -0.137 0.000 2.193 228 R HA -0.103 4.237 4.340 0.001 0.000 0.229 228 R C 1.653 177.916 176.300 -0.063 0.000 1.110 228 R CA 1.704 57.778 56.100 -0.042 0.000 0.988 228 R CB -0.407 29.915 30.300 0.036 0.000 0.871 228 R HN 0.369 nan 8.270 nan 0.000 0.458 229 S N 0.348 115.990 115.700 -0.098 0.000 2.561 229 S HA 0.183 4.653 4.470 0.001 0.000 0.225 229 S C 1.004 175.548 174.600 -0.093 0.000 0.977 229 S CA -0.085 58.063 58.200 -0.087 0.000 0.926 229 S CB 0.021 63.163 63.200 -0.098 0.000 0.769 229 S HN 0.498 nan 8.310 nan 0.000 0.533 230 A N 2.283 125.035 122.820 -0.113 0.000 2.366 230 A HA 0.353 4.674 4.320 0.001 0.000 0.249 230 A C 0.503 178.036 177.584 -0.085 0.000 1.084 230 A CA -0.539 51.440 52.037 -0.097 0.000 0.794 230 A CB -0.020 18.919 19.000 -0.101 0.000 1.034 230 A HN 0.442 nan 8.150 nan 0.000 0.491 231 N N 1.651 120.302 118.700 -0.082 0.000 2.402 231 N HA 0.098 4.839 4.740 0.001 0.000 0.259 231 N C 0.882 176.307 175.510 -0.141 0.000 1.167 231 N CA -0.008 52.984 53.050 -0.097 0.000 0.949 231 N CB 0.190 38.623 38.487 -0.091 0.000 1.212 231 N HN 0.575 nan 8.380 nan 0.000 0.493 232 I N 5.125 125.615 120.570 -0.133 0.000 2.142 232 I HA -0.144 4.027 4.170 0.001 0.000 0.240 232 I C -0.738 175.244 176.117 -0.225 0.000 1.078 232 I CA 0.802 61.999 61.300 -0.170 0.000 1.343 232 I CB -1.112 36.820 38.000 -0.113 0.000 1.046 232 I HN 0.414 nan 8.210 nan 0.000 0.405 233 P HA -0.190 nan 4.420 nan 0.000 0.216 233 P C 1.607 178.757 177.300 -0.249 0.000 1.150 233 P CA 1.524 64.508 63.100 -0.192 0.000 0.843 233 P CB -0.093 31.526 31.700 -0.134 0.000 0.787 234 R N -0.510 119.830 120.500 -0.267 0.000 2.090 234 R HA -0.003 4.337 4.340 0.001 0.000 0.228 234 R C 2.120 178.107 176.300 -0.522 0.000 1.110 234 R CA 1.276 57.137 56.100 -0.398 0.000 0.973 234 R CB -0.715 29.371 30.300 -0.357 0.000 0.869 234 R HN 0.050 nan 8.270 nan 0.000 0.440 235 A N 0.244 122.802 122.820 -0.436 0.000 1.902 235 A HA -0.114 4.206 4.320 0.001 0.000 0.217 235 A C 2.201 179.438 177.584 -0.577 0.000 1.181 235 A CA 1.595 53.232 52.037 -0.666 0.000 0.623 235 A CB -0.577 18.022 19.000 -0.669 0.000 0.818 235 A HN 0.207 nan 8.150 nan 0.000 0.443 236 V N 0.439 120.030 119.914 -0.537 0.000 2.295 236 V HA -0.282 3.838 4.120 0.001 0.000 0.246 236 V C 2.564 178.456 176.094 -0.338 0.000 1.049 236 V CA 2.394 64.297 62.300 -0.662 0.000 1.024 236 V CB -0.673 30.671 31.823 -0.799 0.000 0.648 236 V HN 0.698 nan 8.190 nan 0.000 0.447 237 K N -0.570 119.670 120.400 -0.266 0.000 2.057 237 K HA -0.225 4.096 4.320 0.001 0.000 0.207 237 K C 2.130 178.730 176.600 -0.001 0.000 1.049 237 K CA 1.978 58.185 56.287 -0.133 0.000 0.931 237 K CB -0.294 32.106 32.500 -0.166 0.000 0.714 237 K HN 0.654 nan 8.250 nan 0.000 0.440 238 H N 0.050 119.081 119.070 -0.065 0.000 2.321 238 H HA -0.093 4.463 4.556 0.000 0.000 0.300 238 H C 2.267 177.618 175.328 0.038 0.000 1.087 238 H CA 1.539 57.590 56.048 0.006 0.000 1.319 238 H CB 0.013 29.833 29.762 0.097 0.000 1.379 238 H HN 0.162 nan 8.280 nan 0.000 0.501 239 I N 0.698 121.364 120.570 0.159 0.000 2.226 239 I HA -0.269 3.902 4.170 0.001 0.000 0.245 239 I C 2.074 178.302 176.117 0.184 0.000 1.100 239 I CA 1.013 62.429 61.300 0.194 0.000 1.374 239 I CB -0.148 38.015 38.000 0.272 0.000 1.057 239 I HN 0.235 nan 8.210 nan 0.000 0.413 240 L N 0.004 121.322 121.223 0.159 0.000 2.056 240 L HA -0.196 4.144 4.340 0.001 0.000 0.207 240 L C 2.150 179.093 176.870 0.121 0.000 1.078 240 L CA 1.091 56.018 54.840 0.146 0.000 0.749 240 L CB -0.743 41.386 42.059 0.118 0.000 0.901 240 L HN 0.223 nan 8.230 nan 0.000 0.433 241 D N -0.430 120.036 120.400 0.110 0.000 2.123 241 D HA -0.196 4.444 4.640 0.001 0.000 0.196 241 D C 2.385 178.746 176.300 0.103 0.000 0.992 241 D CA 1.804 55.865 54.000 0.103 0.000 0.833 241 D CB 0.011 40.861 40.800 0.083 0.000 0.954 241 D HN 0.219 nan 8.370 nan 0.000 0.455 242 S N -0.318 115.427 115.700 0.074 0.000 2.371 242 S HA -0.109 4.361 4.470 0.001 0.000 0.221 242 S C 1.821 176.489 174.600 0.112 0.000 1.036 242 S CA 1.136 59.364 58.200 0.048 0.000 0.965 242 S CB 0.065 63.270 63.200 0.009 0.000 0.845 242 S HN -0.084 nan 8.310 nan 0.000 0.475 243 K N 1.202 121.667 120.400 0.109 0.000 2.148 243 K HA 0.005 4.325 4.320 0.001 0.000 0.204 243 K C 2.040 178.697 176.600 0.095 0.000 1.050 243 K CA 1.982 58.325 56.287 0.095 0.000 0.942 243 K CB -0.858 31.697 32.500 0.092 0.000 0.724 243 K HN 0.639 nan 8.250 nan 0.000 0.446 244 T N -2.353 112.270 114.554 0.114 0.000 3.081 244 T HA 0.080 4.430 4.350 0.001 0.000 0.255 244 T C 0.554 175.318 174.700 0.105 0.000 1.113 244 T CA -0.491 61.665 62.100 0.093 0.000 1.082 244 T CB -0.496 68.422 68.868 0.083 0.000 0.939 244 T HN 0.056 nan 8.240 nan 0.000 0.506 245 F N 3.627 123.579 119.950 0.004 0.000 2.538 245 F HA 0.263 4.790 4.527 0.000 0.000 0.382 245 F C 0.763 176.561 175.800 -0.004 0.000 1.069 245 F CA -0.240 57.756 58.000 -0.007 0.000 1.138 245 F CB -0.480 38.505 39.000 -0.026 0.000 1.068 245 F HN 0.291 nan 8.300 nan 0.000 0.556 246 D N 4.082 124.200 120.400 -0.471 0.000 2.837 246 D HA -0.310 4.330 4.640 0.001 0.000 0.230 246 D C 0.024 176.270 176.300 -0.091 0.000 1.152 246 D CA 1.256 55.079 54.000 -0.295 0.000 0.736 246 D CB -1.276 39.352 40.800 -0.286 0.000 1.084 246 D HN 0.776 nan 8.370 nan 0.000 0.429 247 N N -1.402 117.265 118.700 -0.055 0.000 2.710 247 N HA -0.189 4.551 4.740 0.001 0.000 0.249 247 N C 1.005 176.506 175.510 -0.014 0.000 1.059 247 N CA 2.009 55.050 53.050 -0.015 0.000 0.720 247 N CB -1.637 36.844 38.487 -0.010 0.000 0.983 247 N HN 1.092 nan 8.380 nan 0.000 0.544 248 G N -1.940 106.868 108.800 0.013 0.000 2.137 248 G HA2 -0.354 3.607 3.960 0.001 0.000 0.237 248 G HA3 -0.354 3.607 3.960 0.001 0.000 0.237 248 G C 0.972 175.864 174.900 -0.013 0.000 1.002 248 G CA 1.406 46.516 45.100 0.017 0.000 0.702 248 G HN 0.829 nan 8.290 nan 0.000 0.515 249 T N -1.664 112.882 114.554 -0.014 0.000 3.035 249 T HA 0.323 4.673 4.350 0.001 0.000 0.268 249 T C 1.368 176.072 174.700 0.006 0.000 1.109 249 T CA 0.785 62.864 62.100 -0.035 0.000 1.119 249 T CB 0.271 69.132 68.868 -0.012 0.000 0.900 249 T HN 0.519 nan 8.240 nan 0.000 0.503 250 I N 2.503 123.098 120.570 0.041 0.000 2.441 250 I HA 0.123 4.294 4.170 0.001 0.000 0.287 250 I C 1.970 178.079 176.117 -0.012 0.000 1.049 250 I CA -1.015 60.304 61.300 0.033 0.000 1.381 250 I CB 1.097 39.126 38.000 0.048 0.000 1.409 250 I HN 0.402 nan 8.210 nan 0.000 0.523 251 C N 2.945 122.234 119.300 -0.018 0.000 2.448 251 C HA 0.066 4.526 4.460 0.001 0.000 0.280 251 C C 2.214 177.033 174.990 -0.285 0.000 1.398 251 C CA 0.350 59.304 59.018 -0.106 0.000 1.774 251 C CB -1.406 26.335 27.740 0.002 0.000 1.888 251 C HN 0.854 nan 8.230 nan 0.000 0.519 252 A N 1.531 124.256 122.820 -0.159 0.000 2.238 252 A HA 0.298 4.618 4.320 0.001 0.000 0.208 252 A C 1.388 178.911 177.584 -0.102 0.000 1.177 252 A CA 0.746 52.695 52.037 -0.147 0.000 0.804 252 A CB -0.692 18.298 19.000 -0.018 0.000 0.823 252 A HN 0.793 nan 8.150 nan 0.000 0.482 253 S N 0.340 115.994 115.700 -0.078 0.000 2.585 253 S HA 0.322 4.792 4.470 0.001 0.000 0.273 253 S C -0.232 174.355 174.600 -0.020 0.000 1.339 253 S CA -0.605 57.578 58.200 -0.030 0.000 1.028 253 S CB 0.489 63.690 63.200 0.003 0.000 0.906 253 S HN 0.356 nan 8.310 nan 0.000 0.528 254 E N 1.125 121.340 120.200 0.024 0.000 2.415 254 E HA 0.148 4.498 4.350 0.001 0.000 0.262 254 E C 0.641 177.266 176.600 0.041 0.000 1.038 254 E CA -0.024 56.405 56.400 0.049 0.000 0.921 254 E CB 0.279 30.039 29.700 0.099 0.000 0.950 254 E HN 0.583 nan 8.360 nan 0.000 0.438 255 Q N 0.173 120.004 119.800 0.051 0.000 2.245 255 Q HA 0.163 4.503 4.340 0.001 0.000 0.250 255 Q C -0.293 175.763 176.000 0.093 0.000 0.830 255 Q CA 0.273 56.113 55.803 0.061 0.000 0.950 255 Q CB 0.921 29.689 28.738 0.051 0.000 1.124 255 Q HN 0.545 nan 8.270 nan 0.000 0.502 256 S N -1.021 114.744 115.700 0.109 0.000 2.588 256 S HA 0.696 5.166 4.470 0.001 0.000 0.275 256 S C -0.557 174.108 174.600 0.109 0.000 1.130 256 S CA -0.761 57.523 58.200 0.141 0.000 0.855 256 S CB 2.279 65.666 63.200 0.313 0.000 1.116 256 S HN -0.132 nan 8.310 nan 0.000 0.472 257 V N 1.726 121.663 119.914 0.039 0.000 2.417 257 V HA 0.605 4.726 4.120 0.001 0.000 0.291 257 V C -0.634 175.367 176.094 -0.154 0.000 1.024 257 V CA -0.622 61.653 62.300 -0.042 0.000 0.861 257 V CB 1.440 33.199 31.823 -0.108 0.000 0.985 257 V HN 0.816 nan 8.190 nan 0.000 0.436 258 V N 5.801 125.716 119.914 0.003 0.000 2.417 258 V HA 0.669 4.789 4.120 0.001 0.000 0.291 258 V C -0.166 176.014 176.094 0.143 0.000 1.024 258 V CA -0.515 61.804 62.300 0.033 0.000 0.861 258 V CB 1.855 33.714 31.823 0.061 0.000 0.985 258 V HN 0.775 nan 8.190 nan 0.000 0.436 259 V N 1.580 121.517 119.914 0.039 0.000 2.914 259 V HA 0.705 4.826 4.120 0.001 0.000 0.314 259 V C -0.405 175.834 176.094 0.242 0.000 1.084 259 V CA -0.877 61.534 62.300 0.184 0.000 0.963 259 V CB 2.034 33.932 31.823 0.124 0.000 1.025 259 V HN 0.819 nan 8.190 nan 0.000 0.432 260 E N 1.300 121.682 120.200 0.303 0.000 2.373 260 E HA 0.329 4.680 4.350 0.001 0.000 0.263 260 E C 0.846 177.549 176.600 0.171 0.000 1.073 260 E CA -0.269 56.273 56.400 0.237 0.000 0.894 260 E CB 1.382 31.238 29.700 0.259 0.000 1.008 260 E HN 0.724 nan 8.360 nan 0.000 0.420 261 R N 1.788 122.370 120.500 0.136 0.000 2.091 261 R HA -0.180 4.160 4.340 0.001 0.000 0.238 261 R C 1.873 178.232 176.300 0.098 0.000 1.136 261 R CA 1.861 58.029 56.100 0.113 0.000 0.959 261 R CB -0.321 30.030 30.300 0.084 0.000 0.856 261 R HN 0.554 nan 8.270 nan 0.000 0.437 262 V N -1.135 118.834 119.914 0.092 0.000 2.720 262 V HA -0.093 4.028 4.120 0.001 0.000 0.256 262 V C 1.355 177.493 176.094 0.072 0.000 1.082 262 V CA 2.021 64.365 62.300 0.073 0.000 1.101 262 V CB -0.590 31.274 31.823 0.068 0.000 0.693 262 V HN 0.280 nan 8.190 nan 0.000 0.479 263 N N -0.066 118.692 118.700 0.096 0.000 2.205 263 N HA 0.106 4.846 4.740 0.001 0.000 0.201 263 N C 1.498 177.084 175.510 0.128 0.000 1.128 263 N CA 0.527 53.633 53.050 0.093 0.000 0.867 263 N CB 0.127 38.667 38.487 0.089 0.000 0.996 263 N HN 0.641 nan 8.380 nan 0.000 0.503 264 K N 0.921 121.410 120.400 0.147 0.000 1.984 264 K HA -0.078 4.243 4.320 0.001 0.000 0.209 264 K C 1.375 178.051 176.600 0.126 0.000 1.046 264 K CA 1.225 57.638 56.287 0.211 0.000 0.934 264 K CB 0.013 32.632 32.500 0.198 0.000 0.717 264 K HN 0.129 nan 8.250 nan 0.000 0.438 265 E N -0.100 120.129 120.200 0.048 0.000 2.065 265 E HA -0.262 4.088 4.350 0.001 0.000 0.201 265 E C 1.931 178.535 176.600 0.006 0.000 1.016 265 E CA 1.520 57.916 56.400 -0.007 0.000 0.818 265 E CB -0.193 29.501 29.700 -0.009 0.000 0.749 265 E HN 0.492 nan 8.360 nan 0.000 0.453 266 A N 0.481 123.322 122.820 0.034 0.000 1.902 266 A HA -0.144 4.177 4.320 0.001 0.000 0.217 266 A C 2.446 180.064 177.584 0.057 0.000 1.181 266 A CA 1.284 53.339 52.037 0.030 0.000 0.623 266 A CB -0.538 18.476 19.000 0.023 0.000 0.818 266 A HN 0.147 nan 8.150 nan 0.000 0.443 267 V N 0.322 120.311 119.914 0.126 0.000 2.307 267 V HA -0.248 3.873 4.120 0.001 0.000 0.245 267 V C 2.433 178.731 176.094 0.341 0.000 1.045 267 V CA 1.912 64.353 62.300 0.235 0.000 1.024 267 V CB -0.642 31.411 31.823 0.384 0.000 0.651 267 V HN 0.564 nan 8.190 nan 0.000 0.449 268 I N 0.504 121.189 120.570 0.192 0.000 2.163 268 I HA -0.269 3.902 4.170 0.001 0.000 0.243 268 I C 2.730 178.864 176.117 0.029 0.000 1.085 268 I CA 1.614 62.881 61.300 -0.055 0.000 1.347 268 I CB -0.714 36.941 38.000 -0.575 0.000 1.044 268 I HN 0.312 nan 8.210 nan 0.000 0.408 269 A N 0.439 123.256 122.820 -0.005 0.000 1.908 269 A HA -0.289 4.031 4.320 0.001 0.000 0.218 269 A C 2.207 179.826 177.584 0.058 0.000 1.181 269 A CA 2.251 54.294 52.037 0.011 0.000 0.627 269 A CB -0.572 18.421 19.000 -0.011 0.000 0.818 269 A HN 0.418 nan 8.150 nan 0.000 0.445 270 E N -0.924 119.309 120.200 0.055 0.000 2.072 270 E HA -0.097 4.253 4.350 0.001 0.000 0.191 270 E C 1.566 178.186 176.600 0.033 0.000 0.985 270 E CA 1.038 57.438 56.400 -0.000 0.000 0.801 270 E CB -0.455 29.193 29.700 -0.086 0.000 0.750 270 E HN 0.515 nan 8.360 nan 0.000 0.452 271 F N 0.876 120.904 119.950 0.129 0.000 2.095 271 F HA -0.144 4.383 4.527 0.001 0.000 0.298 271 F C 2.425 178.324 175.800 0.164 0.000 1.104 271 F CA 1.635 59.737 58.000 0.170 0.000 1.232 271 F CB -0.311 38.874 39.000 0.308 0.000 0.987 271 F HN -0.007 nan 8.300 nan 0.000 0.475 272 R N 0.008 120.746 120.500 0.397 0.000 2.083 272 R HA -0.210 4.130 4.340 0.001 0.000 0.237 272 R C 2.311 178.700 176.300 0.148 0.000 1.137 272 R CA 1.732 57.986 56.100 0.257 0.000 0.951 272 R CB -0.466 29.943 30.300 0.183 0.000 0.851 272 R HN 0.183 nan 8.270 nan 0.000 0.434 273 K N 0.755 121.214 120.400 0.098 0.000 2.113 273 K HA -0.210 4.110 4.320 0.001 0.000 0.208 273 K C 1.582 178.209 176.600 0.044 0.000 1.047 273 K CA 1.602 57.919 56.287 0.050 0.000 0.928 273 K CB 0.095 32.606 32.500 0.019 0.000 0.716 273 K HN 0.283 nan 8.250 nan 0.000 0.446 274 Q N -1.519 118.312 119.800 0.051 0.000 2.320 274 Q HA 0.081 4.421 4.340 0.001 0.000 0.201 274 Q C 0.465 176.508 176.000 0.071 0.000 0.910 274 Q CA 0.475 56.299 55.803 0.035 0.000 0.946 274 Q CB 1.112 29.843 28.738 -0.013 0.000 1.062 274 Q HN 0.615 nan 8.270 nan 0.000 0.503 275 G N 0.295 109.155 108.800 0.099 0.000 2.192 275 G HA2 -0.189 3.772 3.960 0.001 0.000 0.193 275 G HA3 -0.189 3.772 3.960 0.001 0.000 0.193 275 G C 0.139 175.105 174.900 0.110 0.000 0.999 275 G CA -0.206 44.949 45.100 0.091 0.000 0.659 275 G HN 0.426 nan 8.290 nan 0.000 0.503 276 A N 0.204 123.116 122.820 0.154 0.000 2.401 276 A HA 0.633 4.953 4.320 0.001 0.000 0.259 276 A C -0.119 177.516 177.584 0.085 0.000 1.103 276 A CA 0.209 52.292 52.037 0.075 0.000 0.789 276 A CB 0.362 19.393 19.000 0.051 0.000 1.035 276 A HN 1.037 nan 8.150 nan 0.000 0.491 277 H N 1.411 120.402 119.070 -0.132 0.000 2.551 277 H HA 0.543 5.099 4.556 0.001 0.000 0.321 277 H C -1.450 173.752 175.328 -0.210 0.000 1.028 277 H CA -0.805 55.197 56.048 -0.077 0.000 1.215 277 H CB 0.271 30.007 29.762 -0.043 0.000 1.414 277 H HN 0.463 nan 8.280 nan 0.000 0.480 278 F N 5.365 125.039 119.950 -0.459 0.000 2.420 278 F HA 0.201 4.728 4.527 0.000 0.000 0.352 278 F C 0.161 175.630 175.800 -0.552 0.000 1.108 278 F CA -0.474 57.262 58.000 -0.439 0.000 1.162 278 F CB 0.625 39.405 39.000 -0.366 0.000 1.118 278 F HN 0.315 nan 8.300 nan 0.000 0.510 279 L N 2.987 124.063 121.223 -0.244 0.000 2.436 279 L HA 0.276 4.616 4.340 0.001 0.000 0.265 279 L C 0.698 177.497 176.870 -0.119 0.000 1.168 279 L CA -0.555 54.176 54.840 -0.182 0.000 0.815 279 L CB 1.058 43.043 42.059 -0.123 0.000 1.109 279 L HN 0.701 nan 8.230 nan 0.000 0.462 280 S N -0.240 115.412 115.700 -0.080 0.000 2.624 280 S HA 0.007 4.477 4.470 0.001 0.000 0.263 280 S C 0.700 175.277 174.600 -0.038 0.000 1.287 280 S CA -0.251 57.917 58.200 -0.054 0.000 0.990 280 S CB 1.327 64.508 63.200 -0.030 0.000 0.950 280 S HN 0.759 nan 8.310 nan 0.000 0.561 281 D N 1.460 121.841 120.400 -0.030 0.000 2.106 281 D HA -0.175 4.465 4.640 0.001 0.000 0.191 281 D C 2.034 178.340 176.300 0.009 0.000 0.997 281 D CA 2.213 56.205 54.000 -0.013 0.000 0.834 281 D CB -0.595 40.199 40.800 -0.010 0.000 0.956 281 D HN 0.704 nan 8.370 nan 0.000 0.448 282 A N 0.065 122.890 122.820 0.008 0.000 1.902 282 A HA -0.176 4.145 4.320 0.001 0.000 0.217 282 A C 2.137 179.739 177.584 0.029 0.000 1.181 282 A CA 1.721 53.769 52.037 0.019 0.000 0.623 282 A CB -0.669 18.338 19.000 0.013 0.000 0.818 282 A HN 0.390 nan 8.150 nan 0.000 0.443 283 E N -0.223 119.991 120.200 0.023 0.000 2.106 283 E HA -0.079 4.271 4.350 0.001 0.000 0.192 283 E C 2.301 178.939 176.600 0.064 0.000 0.984 283 E CA 0.867 57.287 56.400 0.034 0.000 0.806 283 E CB -0.283 29.432 29.700 0.024 0.000 0.750 283 E HN 0.618 nan 8.360 nan 0.000 0.458 284 A N 0.985 123.837 122.820 0.054 0.000 1.902 284 A HA -0.138 4.182 4.320 0.001 0.000 0.217 284 A C 2.493 180.213 177.584 0.228 0.000 1.181 284 A CA 1.098 53.206 52.037 0.118 0.000 0.623 284 A CB -0.604 18.393 19.000 -0.005 0.000 0.818 284 A HN 0.114 nan 8.150 nan 0.000 0.443 285 V N -0.220 119.773 119.914 0.131 0.000 2.358 285 V HA -0.301 3.820 4.120 0.001 0.000 0.246 285 V C 2.697 178.846 176.094 0.091 0.000 1.047 285 V CA 2.300 64.664 62.300 0.107 0.000 1.035 285 V CB -0.751 31.110 31.823 0.065 0.000 0.658 285 V HN 0.753 nan 8.190 nan 0.000 0.452 286 Q N -0.634 119.216 119.800 0.082 0.000 2.050 286 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 286 Q C 2.226 178.289 176.000 0.104 0.000 0.980 286 Q CA 2.030 57.877 55.803 0.073 0.000 0.840 286 Q CB -0.200 28.566 28.738 0.046 0.000 0.898 286 Q HN 0.537 nan 8.270 nan 0.000 0.424 287 L N 0.057 121.358 121.223 0.129 0.000 2.093 287 L HA 0.013 4.354 4.340 0.001 0.000 0.208 287 L C 2.033 178.978 176.870 0.125 0.000 1.085 287 L CA 2.207 57.148 54.840 0.168 0.000 0.755 287 L CB -0.910 41.274 42.059 0.207 0.000 0.904 287 L HN 0.281 nan 8.230 nan 0.000 0.435 288 G N -0.682 108.148 108.800 0.049 0.000 2.418 288 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 288 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 288 G C 1.681 176.537 174.900 -0.072 0.000 1.158 288 G CA 0.837 45.840 45.100 -0.162 0.000 0.771 288 G HN 0.409 nan 8.290 nan 0.000 0.545 289 K N -0.661 119.749 120.400 0.016 0.000 2.057 289 K HA -0.046 4.275 4.320 0.001 0.000 0.207 289 K C 2.154 178.787 176.600 0.055 0.000 1.049 289 K CA 1.142 57.447 56.287 0.030 0.000 0.931 289 K CB -0.289 32.244 32.500 0.055 0.000 0.714 289 K HN 0.340 nan 8.250 nan 0.000 0.440 290 F N 1.697 121.627 119.950 -0.033 0.000 2.146 290 F HA -0.101 4.427 4.527 0.001 0.000 0.298 290 F C 1.883 177.661 175.800 -0.037 0.000 1.096 290 F CA 1.130 59.115 58.000 -0.025 0.000 1.275 290 F CB -0.083 38.911 39.000 -0.011 0.000 1.008 290 F HN -0.115 nan 8.300 nan 0.000 0.480 291 I N -0.094 120.436 120.570 -0.066 0.000 2.226 291 I HA -0.192 3.978 4.170 0.001 0.000 0.245 291 I C 0.463 176.457 176.117 -0.204 0.000 1.100 291 I CA 0.591 61.797 61.300 -0.158 0.000 1.374 291 I CB -0.315 37.615 38.000 -0.117 0.000 1.057 291 I HN 0.010 nan 8.210 nan 0.000 0.413 292 L N 1.758 122.881 121.223 -0.168 0.000 2.260 292 L HA 0.285 4.626 4.340 0.001 0.000 0.289 292 L C 0.340 177.134 176.870 -0.126 0.000 1.057 292 L CA 0.023 54.782 54.840 -0.135 0.000 0.811 292 L CB 0.506 42.497 42.059 -0.113 0.000 1.184 292 L HN -0.017 nan 8.230 nan 0.000 0.429 293 R N 5.146 125.573 120.500 -0.121 0.000 2.641 293 R HA 0.257 4.598 4.340 0.001 0.000 0.269 293 R C -1.482 174.780 176.300 -0.062 0.000 1.074 293 R CA -0.974 55.065 56.100 -0.101 0.000 1.133 293 R CB 0.467 30.710 30.300 -0.094 0.000 1.029 293 R HN 0.486 nan 8.270 nan 0.000 0.488 294 P HA -0.118 nan 4.420 nan 0.000 0.222 294 P C 0.123 177.410 177.300 -0.022 0.000 1.147 294 P CA 0.958 64.040 63.100 -0.030 0.000 0.790 294 P CB 0.101 31.788 31.700 -0.022 0.000 0.780 295 N N -0.634 118.051 118.700 -0.024 0.000 2.467 295 N HA -0.005 4.735 4.740 0.001 0.000 0.184 295 N C 1.334 176.836 175.510 -0.014 0.000 1.106 295 N CA 1.249 54.290 53.050 -0.015 0.000 0.892 295 N CB -0.724 37.755 38.487 -0.012 0.000 0.969 295 N HN 0.208 nan 8.380 nan 0.000 0.454 296 G N -0.357 108.430 108.800 -0.021 0.000 2.213 296 G HA2 -0.271 3.689 3.960 0.001 0.000 0.226 296 G HA3 -0.271 3.689 3.960 0.001 0.000 0.226 296 G C 0.097 174.983 174.900 -0.022 0.000 0.992 296 G CA 0.313 45.402 45.100 -0.018 0.000 0.632 296 G HN 0.822 nan 8.290 nan 0.000 0.511 297 S N 0.868 116.552 115.700 -0.026 0.000 2.645 297 S HA 0.791 5.261 4.470 0.001 0.000 0.266 297 S C 0.642 175.210 174.600 -0.053 0.000 1.258 297 S CA -0.538 57.645 58.200 -0.028 0.000 0.990 297 S CB 1.059 64.247 63.200 -0.020 0.000 0.967 297 S HN 0.293 nan 8.310 nan 0.000 0.556 298 M N 2.461 122.030 119.600 -0.052 0.000 2.277 298 M HA 0.311 4.792 4.480 0.001 0.000 0.350 298 M C 0.137 176.382 176.300 -0.092 0.000 1.180 298 M CA -0.583 54.671 55.300 -0.077 0.000 1.103 298 M CB 0.280 32.845 32.600 -0.059 0.000 1.577 298 M HN 0.724 nan 8.290 nan 0.000 0.459 299 N N 5.040 123.653 118.700 -0.146 0.000 2.438 299 N HA 0.081 4.822 4.740 0.001 0.000 0.267 299 N C -1.628 173.821 175.510 -0.101 0.000 1.222 299 N CA -1.156 51.783 53.050 -0.185 0.000 0.930 299 N CB 0.810 39.060 38.487 -0.394 0.000 1.083 299 N HN 0.365 nan 8.380 nan 0.000 0.476 300 P HA -0.073 nan 4.420 nan 0.000 0.226 300 P C 0.670 177.988 177.300 0.029 0.000 1.153 300 P CA 0.571 63.667 63.100 -0.006 0.000 0.777 300 P CB 0.181 31.907 31.700 0.044 0.000 0.794 301 A N 0.820 123.667 122.820 0.045 0.000 2.125 301 A HA -0.127 4.193 4.320 0.001 0.000 0.219 301 A C 2.106 179.812 177.584 0.203 0.000 1.156 301 A CA 1.290 53.419 52.037 0.153 0.000 0.671 301 A CB -1.393 17.727 19.000 0.201 0.000 0.794 301 A HN 0.423 nan 8.150 nan 0.000 0.459 302 I N -3.529 117.119 120.570 0.130 0.000 3.427 302 I HA 0.169 4.339 4.170 0.001 0.000 0.288 302 I C 0.062 176.174 176.117 -0.008 0.000 1.249 302 I CA -0.147 61.231 61.300 0.130 0.000 1.421 302 I CB -0.069 38.010 38.000 0.132 0.000 1.086 302 I HN -0.124 nan 8.210 nan 0.000 0.448 303 V N 4.094 123.930 119.914 -0.130 0.000 2.485 303 V HA 0.279 4.400 4.120 0.001 0.000 0.287 303 V C 1.496 177.268 176.094 -0.538 0.000 1.022 303 V CA 0.890 62.962 62.300 -0.379 0.000 1.067 303 V CB -0.256 31.224 31.823 -0.573 0.000 0.967 303 V HN 0.747 nan 8.190 nan 0.000 0.479 304 G N 3.963 112.543 108.800 -0.367 0.000 2.179 304 G HA2 -0.219 3.742 3.960 0.001 0.000 0.257 304 G HA3 -0.219 3.742 3.960 0.001 0.000 0.257 304 G C 0.168 175.033 174.900 -0.059 0.000 1.010 304 G CA 0.104 45.078 45.100 -0.210 0.000 0.736 304 G HN 0.537 nan 8.290 nan 0.000 0.513 305 K N 0.543 120.905 120.400 -0.064 0.000 2.166 305 K HA 0.643 4.964 4.320 0.001 0.000 0.245 305 K C 0.932 177.535 176.600 0.004 0.000 0.967 305 K CA -0.006 56.240 56.287 -0.067 0.000 0.863 305 K CB 1.510 33.942 32.500 -0.114 0.000 1.107 305 K HN 0.535 nan 8.250 nan 0.000 0.436 306 S N -0.433 115.281 115.700 0.024 0.000 2.584 306 S HA 0.039 4.510 4.470 0.001 0.000 0.270 306 S C 1.518 176.170 174.600 0.087 0.000 1.346 306 S CA -0.621 57.615 58.200 0.060 0.000 1.018 306 S CB 0.582 63.826 63.200 0.072 0.000 0.899 306 S HN 0.254 nan 8.310 nan 0.000 0.542 307 V N 1.809 121.758 119.914 0.058 0.000 2.282 307 V HA -0.190 3.930 4.120 0.001 0.000 0.249 307 V C 2.910 179.031 176.094 0.046 0.000 1.057 307 V CA 2.110 64.438 62.300 0.047 0.000 1.032 307 V CB -0.989 30.850 31.823 0.026 0.000 0.645 307 V HN 0.819 nan 8.190 nan 0.000 0.447 308 Q N -0.710 119.117 119.800 0.046 0.000 2.050 308 Q HA -0.234 4.106 4.340 0.001 0.000 0.202 308 Q C 2.171 178.197 176.000 0.043 0.000 0.980 308 Q CA 2.272 58.092 55.803 0.029 0.000 0.840 308 Q CB -0.641 28.114 28.738 0.028 0.000 0.898 308 Q HN 0.864 nan 8.270 nan 0.000 0.424 309 H N 0.341 119.409 119.070 -0.003 0.000 2.319 309 H HA -0.067 4.489 4.556 0.000 0.000 0.299 309 H C 2.028 177.345 175.328 -0.019 0.000 1.092 309 H CA 1.892 57.940 56.048 -0.001 0.000 1.302 309 H CB -0.118 29.659 29.762 0.025 0.000 1.373 309 H HN 0.145 nan 8.280 nan 0.000 0.497 310 I N 0.187 120.836 120.570 0.132 0.000 2.226 310 I HA -0.247 3.923 4.170 0.001 0.000 0.245 310 I C 2.759 178.822 176.117 -0.090 0.000 1.100 310 I CA 0.963 62.295 61.300 0.053 0.000 1.374 310 I CB -0.449 37.617 38.000 0.109 0.000 1.057 310 I HN 0.442 nan 8.210 nan 0.000 0.413 311 A N 1.003 123.790 122.820 -0.056 0.000 1.908 311 A HA -0.228 4.093 4.320 0.001 0.000 0.218 311 A C 2.082 179.580 177.584 -0.143 0.000 1.181 311 A CA 2.041 54.030 52.037 -0.080 0.000 0.627 311 A CB -0.687 18.288 19.000 -0.042 0.000 0.818 311 A HN 0.403 nan 8.150 nan 0.000 0.445 312 N N 0.151 118.757 118.700 -0.157 0.000 2.084 312 N HA -0.092 4.648 4.740 0.001 0.000 0.190 312 N C 1.651 176.999 175.510 -0.270 0.000 1.030 312 N CA 1.346 54.283 53.050 -0.188 0.000 0.849 312 N CB -0.556 37.819 38.487 -0.187 0.000 1.012 312 N HN 0.503 nan 8.380 nan 0.000 0.423 313 L N 0.337 121.338 121.223 -0.371 0.000 2.079 313 L HA -0.112 4.229 4.340 0.001 0.000 0.210 313 L C 1.929 178.277 176.870 -0.869 0.000 1.081 313 L CA 1.259 55.774 54.840 -0.541 0.000 0.752 313 L CB -0.319 41.440 42.059 -0.499 0.000 0.896 313 L HN 0.139 nan 8.230 nan 0.000 0.433 314 A N -0.888 121.468 122.820 -0.773 0.000 2.275 314 A HA 0.317 4.638 4.320 0.001 0.000 0.212 314 A C 1.609 179.025 177.584 -0.280 0.000 1.201 314 A CA 0.599 52.254 52.037 -0.638 0.000 0.843 314 A CB -0.270 18.498 19.000 -0.387 0.000 0.873 314 A HN 0.499 nan 8.150 nan 0.000 0.492 315 G N -0.627 108.033 108.800 -0.233 0.000 2.176 315 G HA2 -0.212 3.748 3.960 0.001 0.000 0.252 315 G HA3 -0.212 3.748 3.960 0.001 0.000 0.252 315 G C 0.005 174.854 174.900 -0.084 0.000 1.024 315 G CA 0.459 45.481 45.100 -0.130 0.000 0.755 315 G HN 0.445 nan 8.290 nan 0.000 0.507 316 L N 0.008 121.179 121.223 -0.086 0.000 2.379 316 L HA 0.620 4.960 4.340 0.001 0.000 0.269 316 L C 0.465 177.312 176.870 -0.038 0.000 1.084 316 L CA -0.533 54.283 54.840 -0.040 0.000 0.802 316 L CB 1.658 43.706 42.059 -0.017 0.000 1.175 316 L HN 0.100 nan 8.230 nan 0.000 0.448 317 T N 1.939 116.482 114.554 -0.017 0.000 2.791 317 T HA 0.545 4.896 4.350 0.001 0.000 0.288 317 T C -0.443 174.238 174.700 -0.031 0.000 0.999 317 T CA -0.336 61.748 62.100 -0.027 0.000 0.952 317 T CB 1.497 70.353 68.868 -0.021 0.000 0.938 317 T HN 0.205 nan 8.240 nan 0.000 0.444 318 V N 5.687 125.552 119.914 -0.081 0.000 2.760 318 V HA 0.431 4.551 4.120 0.001 0.000 0.309 318 V C -2.320 173.639 176.094 -0.224 0.000 1.077 318 V CA -2.234 59.950 62.300 -0.194 0.000 0.910 318 V CB 2.238 33.992 31.823 -0.115 0.000 1.008 318 V HN 0.655 nan 8.190 nan 0.000 0.424 319 P HA 0.102 nan 4.420 nan 0.000 0.265 319 P C 0.674 177.896 177.300 -0.131 0.000 1.187 319 P CA 0.179 63.159 63.100 -0.201 0.000 0.766 319 P CB 0.705 32.274 31.700 -0.218 0.000 0.820 320 A N 3.408 126.182 122.820 -0.075 0.000 2.032 320 A HA -0.203 4.117 4.320 0.001 0.000 0.221 320 A C 1.474 179.039 177.584 -0.032 0.000 1.165 320 A CA 1.995 54.006 52.037 -0.044 0.000 0.645 320 A CB -0.894 18.090 19.000 -0.027 0.000 0.807 320 A HN 0.673 nan 8.150 nan 0.000 0.453 321 D N -0.395 119.984 120.400 -0.035 0.000 2.328 321 D HA 0.344 4.984 4.640 0.001 0.000 0.221 321 D C 0.528 176.822 176.300 -0.010 0.000 1.072 321 D CA 0.425 54.416 54.000 -0.015 0.000 0.850 321 D CB -0.558 40.238 40.800 -0.007 0.000 0.922 321 D HN 0.334 nan 8.370 nan 0.000 0.516 322 A N 0.853 123.652 122.820 -0.035 0.000 2.492 322 A HA 0.231 4.551 4.320 0.001 0.000 0.254 322 A C 1.211 178.801 177.584 0.011 0.000 1.091 322 A CA -0.383 51.645 52.037 -0.015 0.000 0.768 322 A CB 0.313 19.274 19.000 -0.065 0.000 1.028 322 A HN 0.137 nan 8.150 nan 0.000 0.498 323 R N 1.145 121.665 120.500 0.032 0.000 2.156 323 R HA 0.172 4.512 4.340 0.001 0.000 0.207 323 R C 0.115 176.435 176.300 0.033 0.000 1.040 323 R CA 1.339 57.462 56.100 0.038 0.000 1.013 323 R CB 0.110 30.444 30.300 0.057 0.000 0.931 323 R HN 0.791 nan 8.270 nan 0.000 0.465 324 V N -2.116 117.808 119.914 0.017 0.000 3.087 324 V HA 0.458 4.578 4.120 0.001 0.000 0.306 324 V C -1.041 175.017 176.094 -0.059 0.000 1.187 324 V CA -1.260 61.029 62.300 -0.018 0.000 0.999 324 V CB 2.307 34.105 31.823 -0.041 0.000 1.049 324 V HN -0.090 nan 8.190 nan 0.000 0.431 325 L N 3.476 124.657 121.223 -0.069 0.000 2.296 325 L HA 0.657 4.997 4.340 0.001 0.000 0.286 325 L C -0.679 176.054 176.870 -0.229 0.000 1.023 325 L CA -0.445 54.335 54.840 -0.100 0.000 0.812 325 L CB 1.594 43.648 42.059 -0.008 0.000 1.223 325 L HN 0.557 nan 8.230 nan 0.000 0.421 326 I N 2.944 123.267 120.570 -0.412 0.000 2.418 326 I HA 0.562 4.732 4.170 0.001 0.000 0.287 326 I C -0.095 175.762 176.117 -0.434 0.000 1.008 326 I CA -0.541 60.437 61.300 -0.537 0.000 1.104 326 I CB 1.985 39.371 38.000 -1.024 0.000 1.264 326 I HN 0.604 nan 8.210 nan 0.000 0.438 327 A N 5.706 128.247 122.820 -0.464 0.000 2.287 327 A HA 0.487 4.807 4.320 0.001 0.000 0.317 327 A C -0.195 177.156 177.584 -0.388 0.000 1.220 327 A CA -0.587 51.131 52.037 -0.532 0.000 0.835 327 A CB 0.583 18.877 19.000 -1.178 0.000 1.180 327 A HN 0.753 nan 8.150 nan 0.000 0.500 328 E N 1.025 121.103 120.200 -0.204 0.000 2.384 328 E HA 0.260 4.610 4.350 0.001 0.000 0.266 328 E C -0.404 176.068 176.600 -0.213 0.000 1.012 328 E CA 0.328 56.661 56.400 -0.111 0.000 0.901 328 E CB 0.744 30.418 29.700 -0.043 0.000 0.967 328 E HN 0.617 nan 8.360 nan 0.000 0.435 329 E N 0.433 120.448 120.200 -0.308 0.000 2.367 329 E HA 0.222 4.572 4.350 0.001 0.000 0.273 329 E C -0.346 176.100 176.600 -0.257 0.000 0.903 329 E CA -0.472 55.708 56.400 -0.367 0.000 0.764 329 E CB 1.539 30.856 29.700 -0.639 0.000 1.252 329 E HN 0.408 nan 8.360 nan 0.000 0.446 330 T N -0.912 113.632 114.554 -0.016 0.000 2.958 330 T HA 0.439 4.790 4.350 0.001 0.000 0.256 330 T C 0.228 175.062 174.700 0.224 0.000 0.983 330 T CA -0.155 62.031 62.100 0.143 0.000 0.924 330 T CB 0.177 69.094 68.868 0.081 0.000 1.136 330 T HN 0.212 nan 8.240 nan 0.000 0.506 331 K N 0.641 121.164 120.400 0.205 0.000 2.295 331 K HA 0.791 5.111 4.320 0.001 0.000 0.239 331 K C -1.517 175.181 176.600 0.163 0.000 0.991 331 K CA -0.943 55.428 56.287 0.141 0.000 0.845 331 K CB 2.818 35.361 32.500 0.071 0.000 1.197 331 K HN -0.038 nan 8.250 nan 0.000 0.441 332 V N 0.510 120.427 119.914 0.004 0.000 2.709 332 V HA 0.845 4.966 4.120 0.001 0.000 0.308 332 V C -0.195 175.724 176.094 -0.292 0.000 1.062 332 V CA -0.540 61.679 62.300 -0.135 0.000 0.901 332 V CB 1.622 33.289 31.823 -0.260 0.000 1.003 332 V HN 1.014 nan 8.190 nan 0.000 0.425 333 G N 2.028 110.674 108.800 -0.256 0.000 2.347 333 G HA2 0.538 4.499 3.960 0.001 0.000 0.303 333 G HA3 0.538 4.499 3.960 0.001 0.000 0.303 333 G C 0.275 175.163 174.900 -0.020 0.000 1.481 333 G CA 0.173 45.174 45.100 -0.166 0.000 0.914 333 G HN 1.078 nan 8.290 nan 0.000 0.638 334 A N -0.208 122.639 122.820 0.045 0.000 1.978 334 A HA 0.021 4.342 4.320 0.001 0.000 0.220 334 A C 1.985 179.574 177.584 0.008 0.000 1.170 334 A CA 2.280 54.341 52.037 0.040 0.000 0.636 334 A CB -0.348 18.685 19.000 0.054 0.000 0.810 334 A HN 0.679 nan 8.150 nan 0.000 0.448 335 K N -0.968 119.434 120.400 0.003 0.000 2.487 335 K HA 0.281 4.602 4.320 0.001 0.000 0.192 335 K C -0.565 176.023 176.600 -0.020 0.000 1.027 335 K CA 0.301 56.583 56.287 -0.009 0.000 1.054 335 K CB 0.093 32.593 32.500 0.000 0.000 0.824 335 K HN 0.377 nan 8.250 nan 0.000 0.510 336 I N 2.448 123.006 120.570 -0.020 0.000 2.460 336 I HA 0.137 4.307 4.170 0.001 0.000 0.277 336 I C -1.774 174.314 176.117 -0.048 0.000 1.057 336 I CA -2.254 59.036 61.300 -0.017 0.000 1.179 336 I CB 1.561 39.573 38.000 0.021 0.000 1.329 336 I HN -0.075 nan 8.210 nan 0.000 0.478 337 P HA -0.220 nan 4.420 nan 0.000 0.217 337 P C 1.216 178.388 177.300 -0.213 0.000 1.148 337 P CA 1.702 64.667 63.100 -0.225 0.000 0.828 337 P CB 0.043 31.521 31.700 -0.369 0.000 0.783 338 Y N 1.135 121.439 120.300 0.006 0.000 2.439 338 Y HA -0.064 4.487 4.550 0.001 0.000 0.292 338 Y C 2.586 178.514 175.900 0.046 0.000 1.130 338 Y CA 1.309 59.410 58.100 0.002 0.000 1.254 338 Y CB -1.324 37.109 38.460 -0.045 0.000 1.000 338 Y HN 0.110 nan 8.280 nan 0.000 0.554 339 S N -0.210 115.604 115.700 0.189 0.000 2.650 339 S HA 0.194 4.664 4.470 0.001 0.000 0.219 339 S C 0.562 175.227 174.600 0.109 0.000 0.960 339 S CA -0.353 57.960 58.200 0.189 0.000 0.925 339 S CB -0.149 63.141 63.200 0.149 0.000 0.775 339 S HN 0.230 nan 8.310 nan 0.000 0.525 340 R N 0.510 121.057 120.500 0.078 0.000 2.930 340 R HA 0.441 4.781 4.340 0.001 0.000 0.257 340 R C -0.786 175.536 176.300 0.037 0.000 1.107 340 R CA -0.912 55.215 56.100 0.046 0.000 0.999 340 R CB 0.799 31.110 30.300 0.018 0.000 1.209 340 R HN 0.309 nan 8.270 nan 0.000 0.486 341 E N 2.251 122.463 120.200 0.021 0.000 2.265 341 E HA 0.015 4.366 4.350 0.001 0.000 0.272 341 E C -1.029 175.570 176.600 -0.002 0.000 1.067 341 E CA 0.234 56.639 56.400 0.007 0.000 0.900 341 E CB 0.469 30.169 29.700 -0.000 0.000 1.017 341 E HN 0.264 nan 8.360 nan 0.000 0.431 342 K N 5.546 125.949 120.400 0.006 0.000 2.449 342 K HA 0.285 4.606 4.320 0.001 0.000 0.257 342 K C -0.307 176.285 176.600 -0.014 0.000 0.989 342 K CA -0.392 55.896 56.287 0.001 0.000 0.916 342 K CB 1.184 33.707 32.500 0.038 0.000 1.136 342 K HN 0.502 nan 8.250 nan 0.000 0.439 343 L N 3.458 124.653 121.223 -0.046 0.000 2.480 343 L HA 0.350 4.691 4.340 0.001 0.000 0.243 343 L C -0.224 176.595 176.870 -0.084 0.000 1.315 343 L CA -0.230 54.566 54.840 -0.073 0.000 1.231 343 L CB -0.175 41.814 42.059 -0.117 0.000 1.444 343 L HN 0.752 nan 8.230 nan 0.000 0.409 344 A N 2.036 124.835 122.820 -0.035 0.000 2.597 344 A HA 0.547 4.867 4.320 0.001 0.000 0.292 344 A C -2.674 174.918 177.584 0.012 0.000 1.057 344 A CA -0.865 51.163 52.037 -0.016 0.000 0.674 344 A CB 1.188 20.191 19.000 0.005 0.000 1.278 344 A HN 0.089 nan 8.150 nan 0.000 0.416 345 P HA 0.264 nan 4.420 nan 0.000 0.237 345 P C -0.822 176.490 177.300 0.019 0.000 1.701 345 P CA 0.760 63.874 63.100 0.025 0.000 0.955 345 P CB -0.866 30.850 31.700 0.028 0.000 1.937 346 I N 1.111 121.697 120.570 0.026 0.000 2.498 346 I HA 0.390 4.560 4.170 0.001 0.000 0.290 346 I C 0.043 176.171 176.117 0.019 0.000 1.032 346 I CA -1.055 60.265 61.300 0.033 0.000 1.073 346 I CB 2.420 40.484 38.000 0.107 0.000 1.251 346 I HN -0.127 nan 8.210 nan 0.000 0.426 347 L N 4.813 126.005 121.223 -0.052 0.000 2.362 347 L HA 0.754 5.094 4.340 0.001 0.000 0.271 347 L C 0.165 176.958 176.870 -0.127 0.000 1.002 347 L CA -0.707 54.093 54.840 -0.068 0.000 0.818 347 L CB 2.072 44.047 42.059 -0.140 0.000 1.298 347 L HN 0.690 nan 8.230 nan 0.000 0.420 348 A N 2.249 125.033 122.820 -0.059 0.000 2.332 348 A HA 0.568 4.888 4.320 0.001 0.000 0.258 348 A C -1.133 176.394 177.584 -0.094 0.000 1.087 348 A CA 0.013 51.952 52.037 -0.164 0.000 0.802 348 A CB 0.433 19.376 19.000 -0.094 0.000 1.042 348 A HN 0.567 nan 8.150 nan 0.000 0.489 349 F N 1.338 121.086 119.950 -0.336 0.000 2.612 349 F HA 0.588 5.115 4.527 0.000 0.000 0.332 349 F C -1.440 174.242 175.800 -0.197 0.000 1.167 349 F CA -0.397 57.505 58.000 -0.164 0.000 0.970 349 F CB 1.118 40.072 39.000 -0.077 0.000 1.234 349 F HN 0.556 nan 8.300 nan 0.000 0.453 350 Y N 2.635 122.836 120.300 -0.165 0.000 2.420 350 Y HA 0.566 5.116 4.550 -0.000 0.000 0.334 350 Y C 0.154 176.004 175.900 -0.084 0.000 1.094 350 Y CA -0.827 57.242 58.100 -0.051 0.000 1.126 350 Y CB 2.253 40.677 38.460 -0.059 0.000 1.217 350 Y HN 0.367 nan 8.280 nan 0.000 0.462 351 T N 2.407 117.087 114.554 0.211 0.000 2.786 351 T HA 0.764 5.114 4.350 0.001 0.000 0.283 351 T C -0.471 174.299 174.700 0.117 0.000 0.992 351 T CA -0.712 61.484 62.100 0.161 0.000 0.954 351 T CB 0.956 69.939 68.868 0.191 0.000 0.934 351 T HN 0.750 nan 8.240 nan 0.000 0.440 352 A N 2.122 124.991 122.820 0.081 0.000 2.346 352 A HA 0.776 5.097 4.320 0.001 0.000 0.313 352 A C 0.741 178.360 177.584 0.059 0.000 1.140 352 A CA -0.675 51.383 52.037 0.035 0.000 0.826 352 A CB 0.940 19.917 19.000 -0.038 0.000 1.332 352 A HN 0.652 nan 8.150 nan 0.000 0.457 353 E N -0.129 120.090 120.200 0.033 0.000 2.127 353 E HA 0.073 4.424 4.350 0.001 0.000 0.191 353 E C 0.819 177.458 176.600 0.064 0.000 0.964 353 E CA 1.666 58.093 56.400 0.045 0.000 0.832 353 E CB -0.220 29.491 29.700 0.020 0.000 0.790 353 E HN 0.822 nan 8.360 nan 0.000 0.465 354 T N -2.729 111.845 114.554 0.033 0.000 2.888 354 T HA 0.252 4.602 4.350 0.001 0.000 0.288 354 T C 0.946 175.714 174.700 0.113 0.000 1.063 354 T CA -0.860 61.269 62.100 0.048 0.000 1.010 354 T CB 0.979 69.784 68.868 -0.104 0.000 1.214 354 T HN 0.279 nan 8.240 nan 0.000 0.533 355 W N 0.440 121.850 121.300 0.184 0.000 2.425 355 W HA -0.077 4.584 4.660 0.001 0.000 0.277 355 W C 1.055 177.652 176.519 0.129 0.000 1.231 355 W CA 0.956 58.455 57.345 0.257 0.000 1.248 355 W CB -0.982 28.737 29.460 0.431 0.000 1.117 355 W HN 0.639 nan 8.180 nan 0.000 0.568 356 Q N 1.127 120.551 119.800 -0.626 0.000 2.084 356 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 356 Q C 2.279 178.097 176.000 -0.303 0.000 0.978 356 Q CA 2.358 57.750 55.803 -0.685 0.000 0.844 356 Q CB -0.625 27.631 28.738 -0.803 0.000 0.898 356 Q HN 0.440 nan 8.270 nan 0.000 0.426 357 E N -0.201 119.863 120.200 -0.227 0.000 2.106 357 E HA -0.157 4.193 4.350 0.001 0.000 0.192 357 E C 1.805 178.295 176.600 -0.183 0.000 0.984 357 E CA 0.803 57.105 56.400 -0.164 0.000 0.806 357 E CB -0.042 29.590 29.700 -0.113 0.000 0.750 357 E HN 0.372 nan 8.360 nan 0.000 0.458 358 A N 0.849 123.530 122.820 -0.232 0.000 1.902 358 A HA -0.222 4.098 4.320 0.001 0.000 0.217 358 A C 2.506 179.920 177.584 -0.284 0.000 1.181 358 A CA 1.434 53.225 52.037 -0.410 0.000 0.623 358 A CB -1.271 17.088 19.000 -1.068 0.000 0.818 358 A HN 0.598 nan 8.150 nan 0.000 0.443 359 C N -0.277 118.919 119.300 -0.174 0.000 2.413 359 C HA -0.142 4.318 4.460 0.001 0.000 0.277 359 C C 2.560 177.392 174.990 -0.264 0.000 1.228 359 C CA 1.791 60.597 59.018 -0.353 0.000 1.731 359 C CB -1.200 26.330 27.740 -0.350 0.000 2.042 359 C HN 0.633 nan 8.230 nan 0.000 0.468 360 E N 0.417 120.500 120.200 -0.196 0.000 2.077 360 E HA -0.182 4.168 4.350 0.001 0.000 0.193 360 E C 2.007 178.530 176.600 -0.129 0.000 0.989 360 E CA 1.347 57.664 56.400 -0.138 0.000 0.800 360 E CB -0.771 28.858 29.700 -0.119 0.000 0.746 360 E HN 0.730 nan 8.360 nan 0.000 0.452 361 L N 1.138 122.259 121.223 -0.170 0.000 2.017 361 L HA -0.123 4.217 4.340 0.001 0.000 0.208 361 L C 2.211 178.946 176.870 -0.226 0.000 1.073 361 L CA 1.757 56.471 54.840 -0.210 0.000 0.745 361 L CB -0.639 41.257 42.059 -0.272 0.000 0.894 361 L HN -0.094 nan 8.230 nan 0.000 0.432 362 S N -0.442 115.130 115.700 -0.214 0.000 2.359 362 S HA -0.213 4.257 4.470 0.001 0.000 0.224 362 S C 1.917 176.413 174.600 -0.174 0.000 1.035 362 S CA 2.009 60.105 58.200 -0.174 0.000 1.018 362 S CB -0.386 62.747 63.200 -0.112 0.000 0.876 362 S HN 0.479 nan 8.310 nan 0.000 0.448 363 M N 1.016 120.505 119.600 -0.185 0.000 2.108 363 M HA -0.168 4.312 4.480 0.001 0.000 0.261 363 M C 2.046 178.305 176.300 -0.067 0.000 1.066 363 M CA 1.495 56.672 55.300 -0.206 0.000 1.107 363 M CB -0.598 31.956 32.600 -0.077 0.000 1.356 363 M HN 0.171 nan 8.290 nan 0.000 0.406 364 D N 0.804 121.219 120.400 0.024 0.000 2.117 364 D HA -0.098 4.543 4.640 0.001 0.000 0.197 364 D C 1.763 178.165 176.300 0.170 0.000 0.987 364 D CA 1.241 55.326 54.000 0.142 0.000 0.829 364 D CB -0.064 40.769 40.800 0.055 0.000 0.961 364 D HN 0.298 nan 8.370 nan 0.000 0.460 365 I N -0.005 120.557 120.570 -0.013 0.000 2.099 365 I HA -0.288 3.883 4.170 0.001 0.000 0.239 365 I C 2.477 178.615 176.117 0.035 0.000 1.066 365 I CA 0.842 62.128 61.300 -0.023 0.000 1.324 365 I CB -0.216 37.718 38.000 -0.111 0.000 1.037 365 I HN 0.063 nan 8.210 nan 0.000 0.401 366 L N -0.926 120.261 121.223 -0.061 0.000 2.046 366 L HA -0.244 4.097 4.340 0.001 0.000 0.208 366 L C 2.580 179.405 176.870 -0.075 0.000 1.077 366 L CA 1.374 56.145 54.840 -0.114 0.000 0.747 366 L CB -0.695 41.211 42.059 -0.254 0.000 0.896 366 L HN 0.210 nan 8.230 nan 0.000 0.432 367 Y N -0.673 119.647 120.300 0.033 0.000 2.293 367 Y HA -0.211 4.339 4.550 0.001 0.000 0.291 367 Y C 2.621 178.482 175.900 -0.065 0.000 1.137 367 Y CA 1.104 59.188 58.100 -0.027 0.000 1.202 367 Y CB -0.724 37.694 38.460 -0.070 0.000 0.990 367 Y HN 0.232 nan 8.280 nan 0.000 0.537 368 H N -0.849 118.298 119.070 0.128 0.000 2.363 368 H HA 0.045 4.600 4.556 -0.001 0.000 0.301 368 H C 0.386 175.749 175.328 0.058 0.000 1.074 368 H CA 1.460 57.555 56.048 0.077 0.000 1.354 368 H CB 0.352 30.148 29.762 0.056 0.000 1.397 368 H HN 0.201 nan 8.280 nan 0.000 0.516 369 E N -1.502 118.798 120.200 0.167 0.000 2.343 369 E HA 0.369 4.719 4.350 0.001 0.000 0.286 369 E C -0.240 176.399 176.600 0.064 0.000 0.915 369 E CA 0.165 56.625 56.400 0.101 0.000 0.784 369 E CB 1.089 30.845 29.700 0.093 0.000 1.251 369 E HN 0.367 nan 8.360 nan 0.000 0.407 370 G N 2.312 111.147 108.800 0.058 0.000 2.201 370 G HA2 -0.202 3.759 3.960 0.001 0.000 0.212 370 G HA3 -0.202 3.759 3.960 0.001 0.000 0.212 370 G C 0.441 175.366 174.900 0.042 0.000 0.994 370 G CA -0.115 45.016 45.100 0.052 0.000 0.644 370 G HN 0.977 nan 8.290 nan 0.000 0.508 371 A N 0.148 122.969 122.820 0.003 0.000 2.587 371 A HA 0.544 4.864 4.320 0.001 0.000 0.235 371 A C 2.217 179.810 177.584 0.015 0.000 1.044 371 A CA 2.498 54.512 52.037 -0.039 0.000 0.754 371 A CB -0.261 18.727 19.000 -0.021 0.000 0.968 371 A HN 2.477 nan 8.150 nan 0.000 0.509 372 G N 0.391 109.191 108.800 -0.000 0.000 2.284 372 G HA2 -0.300 3.660 3.960 0.001 0.000 0.247 372 G HA3 -0.300 3.660 3.960 0.001 0.000 0.247 372 G C 0.953 175.868 174.900 0.025 0.000 1.012 372 G CA 0.959 46.065 45.100 0.009 0.000 0.618 372 G HN 1.074 nan 8.290 nan 0.000 0.521 373 H N 1.003 120.068 119.070 -0.009 0.000 2.591 373 H HA 0.455 5.012 4.556 0.000 0.000 0.333 373 H C 0.561 175.885 175.328 -0.007 0.000 1.222 373 H CA 1.828 57.876 56.048 -0.001 0.000 1.819 373 H CB 0.108 29.874 29.762 0.006 0.000 1.581 373 H HN 0.308 nan 8.280 nan 0.000 0.682 374 T N 1.077 115.787 114.554 0.260 0.000 2.900 374 T HA 0.525 4.875 4.350 0.001 0.000 0.295 374 T C -0.867 173.864 174.700 0.053 0.000 1.044 374 T CA -0.612 61.566 62.100 0.131 0.000 0.995 374 T CB 2.145 71.064 68.868 0.085 0.000 1.072 374 T HN 0.339 nan 8.240 nan 0.000 0.473 375 L N 2.332 123.586 121.223 0.052 0.000 2.409 375 L HA 0.803 5.143 4.340 0.001 0.000 0.262 375 L C -1.979 174.925 176.870 0.057 0.000 0.992 375 L CA -1.015 53.865 54.840 0.066 0.000 0.817 375 L CB 1.538 43.654 42.059 0.095 0.000 1.350 375 L HN 0.595 nan 8.230 nan 0.000 0.411 376 I N 4.749 125.355 120.570 0.061 0.000 2.474 376 I HA 0.538 4.708 4.170 0.001 0.000 0.294 376 I C -0.665 175.442 176.117 -0.017 0.000 1.005 376 I CA -0.225 61.067 61.300 -0.012 0.000 1.113 376 I CB 1.885 39.882 38.000 -0.004 0.000 1.289 376 I HN 0.463 nan 8.210 nan 0.000 0.436 377 I N 4.692 125.156 120.570 -0.177 0.000 2.582 377 I HA 0.433 4.603 4.170 0.001 0.000 0.292 377 I C -1.254 174.600 176.117 -0.438 0.000 1.066 377 I CA -0.432 60.731 61.300 -0.229 0.000 1.053 377 I CB 1.354 39.188 38.000 -0.276 0.000 1.241 377 I HN 0.552 nan 8.210 nan 0.000 0.421 378 H N 5.358 124.305 119.070 -0.205 0.000 2.587 378 H HA 0.552 5.108 4.556 0.000 0.000 0.325 378 H C -1.024 174.130 175.328 -0.291 0.000 1.012 378 H CA -0.534 55.404 56.048 -0.184 0.000 1.213 378 H CB 1.908 31.596 29.762 -0.122 0.000 1.431 378 H HN 0.505 nan 8.280 nan 0.000 0.492 379 S N 1.915 117.520 115.700 -0.158 0.000 2.558 379 S HA 0.100 4.570 4.470 0.001 0.000 0.277 379 S C -0.290 174.220 174.600 -0.149 0.000 1.143 379 S CA -0.659 57.410 58.200 -0.218 0.000 0.865 379 S CB 1.370 64.374 63.200 -0.326 0.000 1.102 379 S HN 0.620 nan 8.310 nan 0.000 0.454 380 E N 1.569 121.689 120.200 -0.134 0.000 2.501 380 E HA 0.170 4.521 4.350 0.001 0.000 0.200 380 E C -0.747 175.786 176.600 -0.111 0.000 1.016 380 E CA -0.051 56.288 56.400 -0.102 0.000 0.921 380 E CB 0.390 30.045 29.700 -0.075 0.000 1.034 380 E HN 0.534 nan 8.360 nan 0.000 0.468 381 D N 1.658 121.967 120.400 -0.151 0.000 2.454 381 D HA 0.039 4.679 4.640 0.001 0.000 0.225 381 D C 1.130 177.329 176.300 -0.170 0.000 1.081 381 D CA -0.154 53.751 54.000 -0.158 0.000 0.864 381 D CB 0.955 41.636 40.800 -0.198 0.000 1.040 381 D HN -0.003 nan 8.370 nan 0.000 0.517 382 K N 2.753 123.079 120.400 -0.123 0.000 2.283 382 K HA -0.075 4.245 4.320 0.001 0.000 0.202 382 K C 1.023 177.556 176.600 -0.112 0.000 1.048 382 K CA 1.028 57.252 56.287 -0.105 0.000 0.948 382 K CB 0.262 32.720 32.500 -0.070 0.000 0.742 382 K HN 0.290 nan 8.250 nan 0.000 0.458 383 E N 1.020 121.141 120.200 -0.132 0.000 2.072 383 E HA -0.079 4.271 4.350 0.001 0.000 0.190 383 E C 2.102 178.561 176.600 -0.236 0.000 0.982 383 E CA 1.132 57.449 56.400 -0.139 0.000 0.803 383 E CB -0.137 29.495 29.700 -0.113 0.000 0.755 383 E HN 0.377 nan 8.360 nan 0.000 0.453 384 I N 1.117 121.459 120.570 -0.380 0.000 2.252 384 I HA -0.245 3.925 4.170 0.001 0.000 0.245 384 I C 2.413 178.365 176.117 -0.275 0.000 1.102 384 I CA 0.900 61.834 61.300 -0.611 0.000 1.385 384 I CB -0.202 37.333 38.000 -0.776 0.000 1.064 384 I HN 0.061 nan 8.210 nan 0.000 0.414 385 I N 0.463 120.896 120.570 -0.229 0.000 2.163 385 I HA -0.346 3.824 4.170 0.001 0.000 0.243 385 I C 2.807 178.928 176.117 0.006 0.000 1.085 385 I CA 1.455 62.681 61.300 -0.124 0.000 1.347 385 I CB -0.433 37.486 38.000 -0.135 0.000 1.044 385 I HN 0.186 nan 8.210 nan 0.000 0.408 386 R N 0.764 121.249 120.500 -0.025 0.000 2.105 386 R HA -0.189 4.152 4.340 0.001 0.000 0.239 386 R C 2.151 178.487 176.300 0.060 0.000 1.135 386 R CA 1.429 57.536 56.100 0.012 0.000 0.967 386 R CB -0.073 30.221 30.300 -0.010 0.000 0.861 386 R HN 0.383 nan 8.270 nan 0.000 0.442 387 E N -0.265 119.977 120.200 0.070 0.000 2.072 387 E HA -0.187 4.164 4.350 0.001 0.000 0.191 387 E C 1.883 178.600 176.600 0.195 0.000 0.985 387 E CA 1.096 57.583 56.400 0.144 0.000 0.801 387 E CB -0.234 29.566 29.700 0.165 0.000 0.750 387 E HN 0.303 nan 8.360 nan 0.000 0.452 388 F N 1.260 121.229 119.950 0.031 0.000 2.134 388 F HA -0.134 4.394 4.527 0.001 0.000 0.299 388 F C 2.513 178.329 175.800 0.027 0.000 1.097 388 F CA 1.044 59.077 58.000 0.055 0.000 1.264 388 F CB -0.806 38.230 39.000 0.061 0.000 1.001 388 F HN -0.019 nan 8.300 nan 0.000 0.479 389 A N -0.218 122.710 122.820 0.181 0.000 1.940 389 A HA -0.161 4.159 4.320 0.001 0.000 0.219 389 A C 2.158 179.776 177.584 0.056 0.000 1.176 389 A CA 1.595 53.686 52.037 0.091 0.000 0.631 389 A CB -1.022 18.013 19.000 0.059 0.000 0.814 389 A HN 0.417 nan 8.150 nan 0.000 0.446 390 L N -2.298 118.958 121.223 0.054 0.000 2.509 390 L HA 0.082 4.422 4.340 0.001 0.000 0.222 390 L C 2.127 179.010 176.870 0.022 0.000 1.123 390 L CA 0.744 55.606 54.840 0.036 0.000 0.856 390 L CB 0.058 42.142 42.059 0.042 0.000 0.985 390 L HN 0.311 nan 8.230 nan 0.000 0.456 391 K N -1.295 119.107 120.400 0.003 0.000 2.493 391 K HA 0.147 4.468 4.320 0.001 0.000 0.201 391 K C 0.101 176.659 176.600 -0.070 0.000 1.355 391 K CA -0.304 55.966 56.287 -0.028 0.000 0.953 391 K CB 0.840 33.314 32.500 -0.043 0.000 1.316 391 K HN -0.104 nan 8.250 nan 0.000 0.522 392 K N 3.224 123.562 120.400 -0.102 0.000 2.416 392 K HA 0.074 4.395 4.320 0.001 0.000 0.283 392 K C -2.385 174.153 176.600 -0.102 0.000 1.037 392 K CA -1.344 54.862 56.287 -0.135 0.000 0.995 392 K CB 0.338 32.785 32.500 -0.088 0.000 0.938 392 K HN 0.055 nan 8.250 nan 0.000 0.475 393 P HA 0.026 nan 4.420 nan 0.000 0.237 393 P C -0.356 176.881 177.300 -0.106 0.000 1.788 393 P CA -0.200 62.810 63.100 -0.150 0.000 1.061 393 P CB -0.113 31.389 31.700 -0.329 0.000 1.967 394 V N -1.505 118.382 119.914 -0.046 0.000 3.141 394 V HA 0.574 4.694 4.120 0.001 0.000 0.312 394 V C 0.874 176.969 176.094 0.002 0.000 1.157 394 V CA -0.672 61.623 62.300 -0.009 0.000 1.041 394 V CB 1.601 33.433 31.823 0.016 0.000 1.071 394 V HN -0.053 nan 8.190 nan 0.000 0.441 395 S N 0.278 115.982 115.700 0.006 0.000 2.492 395 S HA 0.236 4.706 4.470 0.001 0.000 0.218 395 S C 0.565 175.167 174.600 0.003 0.000 1.016 395 S CA 0.184 58.382 58.200 -0.005 0.000 0.916 395 S CB -0.146 63.037 63.200 -0.029 0.000 0.791 395 S HN 0.893 nan 8.310 nan 0.000 0.513 396 R N 0.819 121.332 120.500 0.021 0.000 2.483 396 R HA 0.612 4.952 4.340 0.001 0.000 0.303 396 R C -1.655 174.663 176.300 0.029 0.000 0.987 396 R CA -0.521 55.591 56.100 0.021 0.000 0.881 396 R CB 0.864 31.177 30.300 0.022 0.000 1.177 396 R HN 0.102 nan 8.270 nan 0.000 0.451 397 L N 5.035 126.269 121.223 0.019 0.000 2.298 397 L HA 0.463 4.803 4.340 0.001 0.000 0.284 397 L C -1.027 175.837 176.870 -0.011 0.000 1.013 397 L CA -0.932 53.922 54.840 0.024 0.000 0.824 397 L CB 1.312 43.402 42.059 0.052 0.000 1.221 397 L HN 0.622 nan 8.230 nan 0.000 0.418 398 L N 5.654 126.857 121.223 -0.033 0.000 2.289 398 L HA 0.529 4.869 4.340 0.001 0.000 0.285 398 L C -0.614 176.170 176.870 -0.143 0.000 1.049 398 L CA -0.816 53.974 54.840 -0.084 0.000 0.804 398 L CB 1.687 43.690 42.059 -0.094 0.000 1.195 398 L HN 0.269 nan 8.230 nan 0.000 0.428 399 V N 2.987 122.811 119.914 -0.149 0.000 2.409 399 V HA 0.298 4.418 4.120 0.001 0.000 0.291 399 V C -0.077 175.903 176.094 -0.190 0.000 1.020 399 V CA -0.784 61.404 62.300 -0.187 0.000 0.848 399 V CB 1.296 33.042 31.823 -0.127 0.000 0.990 399 V HN 0.886 nan 8.190 nan 0.000 0.430 400 N N 1.907 120.447 118.700 -0.267 0.000 2.714 400 N HA -0.167 4.574 4.740 0.001 0.000 0.253 400 N C -0.145 175.361 175.510 -0.006 0.000 1.024 400 N CA 1.471 54.500 53.050 -0.036 0.000 0.726 400 N CB -0.635 37.875 38.487 0.039 0.000 0.908 400 N HN 0.889 nan 8.380 nan 0.000 0.542 401 T N -1.105 113.354 114.554 -0.159 0.000 2.840 401 T HA 0.433 4.784 4.350 0.001 0.000 0.317 401 T C -2.899 171.631 174.700 -0.284 0.000 1.401 401 T CA -1.219 60.620 62.100 -0.434 0.000 1.028 401 T CB 1.855 70.555 68.868 -0.279 0.000 1.317 401 T HN -0.224 nan 8.240 nan 0.000 0.495 402 P HA 0.209 nan 4.420 nan 0.000 0.267 402 P C 0.996 178.230 177.300 -0.110 0.000 1.205 402 P CA 0.081 63.113 63.100 -0.113 0.000 0.765 402 P CB 0.372 31.980 31.700 -0.153 0.000 0.828 403 G N 3.373 112.153 108.800 -0.033 0.000 2.491 403 G HA2 -0.319 3.641 3.960 0.001 0.000 0.218 403 G HA3 -0.319 3.641 3.960 0.001 0.000 0.218 403 G C 1.514 176.360 174.900 -0.091 0.000 1.180 403 G CA 0.995 46.067 45.100 -0.047 0.000 0.774 403 G HN 0.540 nan 8.290 nan 0.000 0.562 404 A N 0.011 122.770 122.820 -0.102 0.000 1.902 404 A HA 0.097 4.417 4.320 0.001 0.000 0.217 404 A C 2.337 179.769 177.584 -0.252 0.000 1.181 404 A CA 1.573 53.526 52.037 -0.140 0.000 0.623 404 A CB -0.335 18.603 19.000 -0.103 0.000 0.818 404 A HN 0.301 nan 8.150 nan 0.000 0.443 405 L N -0.660 120.374 121.223 -0.316 0.000 2.209 405 L HA 0.106 4.446 4.340 0.001 0.000 0.207 405 L C 2.633 179.317 176.870 -0.310 0.000 1.094 405 L CA 1.598 56.191 54.840 -0.412 0.000 0.790 405 L CB -1.208 40.594 42.059 -0.428 0.000 0.932 405 L HN 0.384 nan 8.230 nan 0.000 0.447 406 G N -1.111 107.553 108.800 -0.226 0.000 2.408 406 G HA2 -0.077 3.883 3.960 0.001 0.000 0.215 406 G HA3 -0.077 3.883 3.960 0.001 0.000 0.215 406 G C 1.625 176.447 174.900 -0.131 0.000 1.156 406 G CA 0.572 45.569 45.100 -0.171 0.000 0.793 406 G HN 0.463 nan 8.290 nan 0.000 0.535 407 G N 1.525 110.255 108.800 -0.116 0.000 2.422 407 G HA2 -0.124 3.836 3.960 0.001 0.000 0.218 407 G HA3 -0.124 3.836 3.960 0.001 0.000 0.218 407 G C 1.762 176.622 174.900 -0.066 0.000 1.140 407 G CA 0.947 46.013 45.100 -0.057 0.000 0.775 407 G HN 0.662 nan 8.290 nan 0.000 0.545 408 I N -2.421 118.060 120.570 -0.148 0.000 3.428 408 I HA 0.372 4.542 4.170 0.001 0.000 0.286 408 I C 1.507 177.586 176.117 -0.065 0.000 1.287 408 I CA 0.697 61.898 61.300 -0.165 0.000 1.396 408 I CB -0.051 37.720 38.000 -0.381 0.000 1.062 408 I HN 0.226 nan 8.210 nan 0.000 0.471 409 G N 1.261 110.009 108.800 -0.088 0.000 2.149 409 G HA2 -0.256 3.705 3.960 0.001 0.000 0.235 409 G HA3 -0.256 3.705 3.960 0.001 0.000 0.235 409 G C 0.783 175.733 174.900 0.084 0.000 1.018 409 G CA 0.338 45.444 45.100 0.009 0.000 0.728 409 G HN 0.720 nan 8.290 nan 0.000 0.508 410 A N -0.524 122.209 122.820 -0.145 0.000 1.924 410 A HA 0.426 4.747 4.320 0.001 0.000 0.211 410 A C 2.344 179.881 177.584 -0.079 0.000 1.198 410 A CA 2.364 54.309 52.037 -0.155 0.000 0.657 410 A CB -0.226 18.405 19.000 -0.615 0.000 0.852 410 A HN 1.453 nan 8.150 nan 0.000 0.454 411 T N -2.514 111.954 114.554 -0.144 0.000 3.069 411 T HA 0.235 4.586 4.350 0.001 0.000 0.252 411 T C 0.672 175.322 174.700 -0.085 0.000 1.053 411 T CA 0.719 62.752 62.100 -0.112 0.000 0.964 411 T CB -0.530 68.230 68.868 -0.181 0.000 1.005 411 T HN 0.515 nan 8.240 nan 0.000 0.532 412 T N -0.583 113.929 114.554 -0.070 0.000 2.940 412 T HA 0.478 4.828 4.350 0.001 0.000 0.288 412 T C 0.298 174.990 174.700 -0.013 0.000 1.045 412 T CA -0.977 61.094 62.100 -0.049 0.000 1.018 412 T CB 1.289 70.118 68.868 -0.064 0.000 1.151 412 T HN -0.128 nan 8.240 nan 0.000 0.529 413 N N 0.548 119.241 118.700 -0.011 0.000 2.421 413 N HA 0.184 4.925 4.740 0.001 0.000 0.201 413 N C 0.293 175.793 175.510 -0.018 0.000 1.198 413 N CA -0.023 53.026 53.050 -0.000 0.000 0.838 413 N CB -0.535 37.957 38.487 0.009 0.000 1.011 413 N HN 0.555 nan 8.380 nan 0.000 0.463 414 L N 0.472 121.676 121.223 -0.032 0.000 2.479 414 L HA 0.057 4.397 4.340 0.001 0.000 0.270 414 L C 0.677 177.482 176.870 -0.108 0.000 1.236 414 L CA -0.327 54.481 54.840 -0.053 0.000 0.823 414 L CB 0.439 42.471 42.059 -0.045 0.000 1.098 414 L HN -0.169 nan 8.230 nan 0.000 0.500 415 V N 2.703 122.515 119.914 -0.170 0.000 2.557 415 V HA 0.007 4.127 4.120 0.001 0.000 0.301 415 V C -1.942 174.002 176.094 -0.251 0.000 1.026 415 V CA -0.902 61.163 62.300 -0.390 0.000 1.137 415 V CB 0.266 31.880 31.823 -0.348 0.000 0.917 415 V HN 0.593 nan 8.190 nan 0.000 0.484 416 P HA 0.407 nan 4.420 nan 0.000 0.270 416 P C -0.522 176.755 177.300 -0.038 0.000 1.242 416 P CA 0.357 63.450 63.100 -0.012 0.000 0.768 416 P CB 0.660 32.282 31.700 -0.130 0.000 0.820 417 A N 3.315 126.162 122.820 0.044 0.000 2.604 417 A HA 0.513 4.834 4.320 0.001 0.000 0.295 417 A C -0.239 177.125 177.584 -0.366 0.000 1.067 417 A CA -0.506 51.345 52.037 -0.310 0.000 0.683 417 A CB 0.693 19.659 19.000 -0.056 0.000 1.281 417 A HN 0.397 nan 8.150 nan 0.000 0.407 418 L N 0.454 121.106 121.223 -0.951 0.000 2.766 418 L HA 0.226 4.566 4.340 0.001 0.000 0.242 418 L C 0.234 177.055 176.870 -0.081 0.000 1.136 418 L CA 0.450 55.071 54.840 -0.365 0.000 0.933 418 L CB 0.842 42.756 42.059 -0.242 0.000 1.241 418 L HN 0.671 nan 8.230 nan 0.000 0.522 419 T N 2.364 116.930 114.554 0.020 0.000 2.821 419 T HA 0.474 4.824 4.350 0.001 0.000 0.307 419 T C -0.188 174.565 174.700 0.089 0.000 1.034 419 T CA -0.144 62.061 62.100 0.176 0.000 0.953 419 T CB 0.777 69.841 68.868 0.326 0.000 0.968 419 T HN -0.021 nan 8.240 nan 0.000 0.462 420 L N 3.395 124.631 121.223 0.021 0.000 2.283 420 L HA 0.508 4.848 4.340 0.001 0.000 0.281 420 L C 1.152 177.937 176.870 -0.143 0.000 1.033 420 L CA -0.989 53.810 54.840 -0.070 0.000 0.848 420 L CB 0.895 42.897 42.059 -0.095 0.000 1.226 420 L HN 0.642 nan 8.230 nan 0.000 0.429 421 G N 1.051 109.807 108.800 -0.073 0.000 2.441 421 G HA2 0.210 4.170 3.960 0.001 0.000 0.243 421 G HA3 0.210 4.170 3.960 0.001 0.000 0.243 421 G C 0.903 175.730 174.900 -0.122 0.000 1.281 421 G CA -0.417 44.650 45.100 -0.055 0.000 0.854 421 G HN 0.949 nan 8.290 nan 0.000 0.560 422 C N 1.089 120.333 119.300 -0.092 0.000 2.799 422 C HA 0.635 5.095 4.460 0.001 0.000 0.267 422 C C 1.614 176.581 174.990 -0.039 0.000 1.257 422 C CA -0.106 58.859 59.018 -0.088 0.000 1.702 422 C CB -1.416 26.291 27.740 -0.054 0.000 1.934 422 C HN 1.763 nan 8.230 nan 0.000 0.594 423 G N 0.819 109.604 108.800 -0.025 0.000 2.752 423 G HA2 0.142 4.103 3.960 0.001 0.000 0.234 423 G HA3 0.142 4.103 3.960 0.001 0.000 0.234 423 G C 0.938 175.818 174.900 -0.032 0.000 1.367 423 G CA 0.193 45.282 45.100 -0.019 0.000 0.879 423 G HN 1.387 nan 8.290 nan 0.000 0.563 424 A N -1.262 121.539 122.820 -0.032 0.000 1.933 424 A HA 0.161 4.481 4.320 0.001 0.000 0.218 424 A C 2.767 180.329 177.584 -0.037 0.000 1.175 424 A CA 3.243 55.251 52.037 -0.048 0.000 0.628 424 A CB -0.612 18.366 19.000 -0.036 0.000 0.814 424 A HN 1.997 nan 8.150 nan 0.000 0.444 425 V N -0.188 119.721 119.914 -0.007 0.000 2.490 425 V HA -0.083 4.038 4.120 0.001 0.000 0.250 425 V C 2.089 178.193 176.094 0.018 0.000 1.061 425 V CA 2.162 64.475 62.300 0.021 0.000 1.064 425 V CB -0.422 31.435 31.823 0.057 0.000 0.670 425 V HN 0.560 nan 8.190 nan 0.000 0.461 426 G N -1.619 107.181 108.800 0.000 0.000 3.189 426 G HA2 0.386 4.347 3.960 0.001 0.000 0.225 426 G HA3 0.386 4.347 3.960 0.001 0.000 0.225 426 G C 1.063 175.947 174.900 -0.027 0.000 1.159 426 G CA 0.487 45.589 45.100 0.003 0.000 0.763 426 G HN 1.300 nan 8.290 nan 0.000 0.549 427 G N -0.750 108.005 108.800 -0.075 0.000 2.132 427 G HA2 -0.165 3.796 3.960 0.001 0.000 0.228 427 G HA3 -0.165 3.796 3.960 0.001 0.000 0.228 427 G C 0.254 174.962 174.900 -0.321 0.000 1.000 427 G CA 0.494 45.492 45.100 -0.169 0.000 0.693 427 G HN 0.973 nan 8.290 nan 0.000 0.515 428 S N -1.007 114.576 115.700 -0.194 0.000 2.664 428 S HA 0.749 5.219 4.470 0.001 0.000 0.304 428 S C 1.670 176.226 174.600 -0.073 0.000 1.099 428 S CA 0.778 58.903 58.200 -0.124 0.000 1.003 428 S CB 1.533 64.770 63.200 0.061 0.000 1.092 428 S HN 1.260 nan 8.310 nan 0.000 0.525 429 S N 1.143 116.909 115.700 0.110 0.000 2.527 429 S HA 0.220 4.690 4.470 0.001 0.000 0.222 429 S C 0.595 175.232 174.600 0.061 0.000 0.985 429 S CA 0.126 58.388 58.200 0.102 0.000 0.921 429 S CB -0.135 63.192 63.200 0.213 0.000 0.772 429 S HN 0.565 nan 8.310 nan 0.000 0.529 430 S N 0.417 116.152 115.700 0.059 0.000 2.540 430 S HA 0.523 4.993 4.470 0.001 0.000 0.275 430 S C 0.280 174.887 174.600 0.013 0.000 1.123 430 S CA -0.179 58.040 58.200 0.032 0.000 0.907 430 S CB 1.736 64.959 63.200 0.038 0.000 1.081 430 S HN 0.355 nan 8.310 nan 0.000 0.476 431 S N 1.833 117.533 115.700 0.000 0.000 2.540 431 S HA 0.271 4.741 4.470 0.001 0.000 0.218 431 S C -0.130 174.461 174.600 -0.016 0.000 0.977 431 S CA -0.373 57.818 58.200 -0.015 0.000 0.918 431 S CB -0.255 62.937 63.200 -0.012 0.000 0.806 431 S HN 0.662 nan 8.310 nan 0.000 0.496 432 D N 2.975 123.374 120.400 -0.001 0.000 2.339 432 D HA 0.250 4.891 4.640 0.001 0.000 0.245 432 D C -0.466 175.838 176.300 0.007 0.000 1.115 432 D CA -0.134 53.870 54.000 0.006 0.000 0.917 432 D CB 0.269 41.080 40.800 0.018 0.000 1.192 432 D HN 0.108 nan 8.370 nan 0.000 0.428 433 N N 0.701 119.403 118.700 0.004 0.000 2.405 433 N HA 0.196 4.936 4.740 0.001 0.000 0.260 433 N C -0.292 175.256 175.510 0.064 0.000 1.152 433 N CA -0.296 52.764 53.050 0.016 0.000 0.948 433 N CB 0.045 38.520 38.487 -0.019 0.000 1.111 433 N HN 0.353 nan 8.380 nan 0.000 0.485 434 I N -0.325 120.325 120.570 0.135 0.000 2.499 434 I HA 0.845 5.015 4.170 0.001 0.000 0.296 434 I C 0.795 177.062 176.117 0.250 0.000 0.992 434 I CA -0.117 61.279 61.300 0.161 0.000 1.297 434 I CB 1.459 39.535 38.000 0.126 0.000 1.410 434 I HN 0.361 nan 8.210 nan 0.000 0.507 435 G N 3.592 112.505 108.800 0.189 0.000 2.846 435 G HA2 0.493 4.453 3.960 0.001 0.000 0.299 435 G HA3 0.493 4.453 3.960 0.001 0.000 0.299 435 G C -2.529 172.460 174.900 0.148 0.000 1.242 435 G CA -0.781 44.457 45.100 0.230 0.000 0.800 435 G HN 0.350 nan 8.290 nan 0.000 0.538 436 P HA -0.063 nan 4.420 nan 0.000 0.216 436 P C 1.292 178.677 177.300 0.141 0.000 1.153 436 P CA 1.412 64.620 63.100 0.179 0.000 0.858 436 P CB 0.190 32.005 31.700 0.191 0.000 0.789 437 E N -1.278 118.949 120.200 0.045 0.000 2.472 437 E HA -0.093 4.258 4.350 0.001 0.000 0.200 437 E C 0.730 177.117 176.600 -0.354 0.000 1.046 437 E CA 0.514 56.751 56.400 -0.273 0.000 0.871 437 E CB -0.615 29.033 29.700 -0.087 0.000 0.806 437 E HN 0.428 nan 8.360 nan 0.000 0.533 438 N N -0.332 118.276 118.700 -0.154 0.000 2.280 438 N HA 0.108 4.848 4.740 0.001 0.000 0.192 438 N C 0.470 175.920 175.510 -0.099 0.000 1.109 438 N CA 0.222 53.203 53.050 -0.116 0.000 0.855 438 N CB 0.612 39.085 38.487 -0.024 0.000 0.974 438 N HN 0.019 nan 8.380 nan 0.000 0.482 439 L N -0.095 121.071 121.223 -0.094 0.000 3.229 439 L HA 0.393 4.733 4.340 0.001 0.000 0.286 439 L C -1.032 175.910 176.870 0.119 0.000 1.239 439 L CA -0.452 54.393 54.840 0.009 0.000 1.035 439 L CB 0.069 42.154 42.059 0.043 0.000 1.408 439 L HN 0.044 nan 8.230 nan 0.000 0.593 440 F N -2.815 117.138 119.950 0.004 0.000 2.601 440 F HA 0.552 5.079 4.527 0.001 0.000 0.309 440 F C -0.559 175.245 175.800 0.005 0.000 1.089 440 F CA -1.295 56.706 58.000 0.001 0.000 0.940 440 F CB 0.724 39.722 39.000 -0.002 0.000 1.273 440 F HN -0.174 nan 8.300 nan 0.000 0.450 441 N N 1.674 120.486 118.700 0.187 0.000 2.508 441 N HA 0.537 5.277 4.740 0.001 0.000 0.285 441 N C -1.053 174.597 175.510 0.233 0.000 1.144 441 N CA -0.803 52.314 53.050 0.111 0.000 0.978 441 N CB 1.556 40.090 38.487 0.078 0.000 1.180 441 N HN 0.489 nan 8.380 nan 0.000 0.484 442 I N 1.508 122.166 120.570 0.147 0.000 2.321 442 I HA 0.205 4.376 4.170 0.001 0.000 0.291 442 I C 0.300 176.471 176.117 0.089 0.000 0.998 442 I CA -0.469 60.926 61.300 0.157 0.000 1.227 442 I CB 1.072 39.153 38.000 0.135 0.000 1.368 442 I HN 0.426 nan 8.210 nan 0.000 0.466 443 R N 7.162 127.708 120.500 0.076 0.000 2.265 443 R HA 0.427 4.767 4.340 0.001 0.000 0.314 443 R C -0.767 175.555 176.300 0.037 0.000 1.053 443 R CA -0.510 55.618 56.100 0.046 0.000 0.931 443 R CB 0.817 31.138 30.300 0.034 0.000 1.024 443 R HN 0.600 nan 8.270 nan 0.000 0.457 444 R N 4.140 124.658 120.500 0.029 0.000 2.393 444 R HA 0.376 4.716 4.340 0.001 0.000 0.310 444 R C -0.860 175.450 176.300 0.016 0.000 0.968 444 R CA -0.631 55.483 56.100 0.023 0.000 0.867 444 R CB 1.491 31.805 30.300 0.023 0.000 1.124 444 R HN 0.471 nan 8.270 nan 0.000 0.450 445 I N 2.360 122.938 120.570 0.013 0.000 2.354 445 I HA 0.445 4.615 4.170 0.001 0.000 0.286 445 I C -0.340 175.782 176.117 0.008 0.000 1.007 445 I CA -0.111 61.195 61.300 0.009 0.000 1.167 445 I CB 1.984 39.988 38.000 0.007 0.000 1.320 445 I HN 0.631 nan 8.210 nan 0.000 0.458 446 A N 4.063 126.887 122.820 0.008 0.000 2.371 446 A HA 0.849 5.170 4.320 0.001 0.000 0.311 446 A C -0.306 177.281 177.584 0.005 0.000 1.068 446 A CA -0.543 51.498 52.037 0.007 0.000 0.744 446 A CB 1.003 20.007 19.000 0.008 0.000 1.239 446 A HN 0.536 nan 8.150 nan 0.000 0.435 447 T N 1.560 116.117 114.554 0.005 0.000 2.837 447 T HA 0.530 4.880 4.350 0.001 0.000 0.285 447 T C 0.844 175.546 174.700 0.004 0.000 0.984 447 T CA 0.348 62.451 62.100 0.004 0.000 1.049 447 T CB 1.378 70.248 68.868 0.003 0.000 0.947 447 T HN 1.054 nan 8.240 nan 0.000 0.472 448 G N 0.900 109.701 108.800 0.003 0.000 2.305 448 G HA2 0.300 4.261 3.960 0.001 0.000 0.243 448 G HA3 0.300 4.261 3.960 0.001 0.000 0.243 448 G C 0.962 175.864 174.900 0.003 0.000 1.288 448 G CA -0.307 44.795 45.100 0.003 0.000 0.901 448 G HN 0.803 nan 8.290 nan 0.000 0.516 449 V N 0.547 120.463 119.914 0.003 0.000 3.502 449 V HA 0.542 4.662 4.120 0.001 0.000 0.288 449 V C 0.550 176.646 176.094 0.002 0.000 1.461 449 V CA -0.023 62.279 62.300 0.003 0.000 1.029 449 V CB -0.619 31.205 31.823 0.003 0.000 0.843 449 V HN 0.489 nan 8.190 nan 0.000 0.438 450 L N 0.153 121.378 121.223 0.002 0.000 2.469 450 L HA 0.689 5.029 4.340 0.001 0.000 0.256 450 L C -0.797 176.075 176.870 0.002 0.000 1.006 450 L CA -0.518 54.324 54.840 0.002 0.000 0.832 450 L CB 2.897 44.958 42.059 0.002 0.000 1.421 450 L HN 0.080 nan 8.230 nan 0.000 0.410 451 E N 0.647 120.848 120.200 0.002 0.000 2.243 451 E HA 0.281 4.631 4.350 0.001 0.000 0.260 451 E C 0.590 177.191 176.600 0.002 0.000 0.985 451 E CA -0.697 55.704 56.400 0.002 0.000 0.858 451 E CB 2.266 31.967 29.700 0.002 0.000 1.210 451 E HN 0.528 nan 8.360 nan 0.000 0.411 452 L N 0.926 122.150 121.223 0.002 0.000 2.042 452 L HA -0.265 4.075 4.340 0.001 0.000 0.210 452 L C 1.808 178.679 176.870 0.001 0.000 1.076 452 L CA 1.741 56.582 54.840 0.002 0.000 0.749 452 L CB -0.027 42.032 42.059 0.001 0.000 0.893 452 L HN 0.538 nan 8.230 nan 0.000 0.432 453 E N -0.070 120.130 120.200 0.001 0.000 2.118 453 E HA -0.233 4.117 4.350 0.001 0.000 0.195 453 E C 1.774 178.374 176.600 0.001 0.000 0.992 453 E CA 1.455 57.856 56.400 0.001 0.000 0.804 453 E CB -0.125 29.576 29.700 0.001 0.000 0.741 453 E HN 0.484 nan 8.360 nan 0.000 0.458 454 D N 0.131 120.532 120.400 0.001 0.000 2.117 454 D HA -0.129 4.512 4.640 0.001 0.000 0.197 454 D C 1.994 178.294 176.300 0.002 0.000 0.987 454 D CA 1.067 55.068 54.000 0.002 0.000 0.829 454 D CB -0.184 40.617 40.800 0.002 0.000 0.961 454 D HN 0.399 nan 8.370 nan 0.000 0.460 455 I N -1.808 118.763 120.570 0.002 0.000 3.578 455 I HA 0.146 4.316 4.170 0.001 0.000 0.295 455 I C 1.055 177.173 176.117 0.002 0.000 1.280 455 I CA -0.271 61.030 61.300 0.002 0.000 1.347 455 I CB 0.234 38.235 38.000 0.002 0.000 1.051 455 I HN -0.293 nan 8.210 nan 0.000 0.460 456 R N 0.000 120.501 120.500 0.001 0.000 2.786 456 R HA 0.000 4.340 4.340 0.001 0.000 0.208 456 R CA 0.000 56.101 56.100 0.001 0.000 0.921 456 R CB 0.000 30.301 30.300 0.001 0.000 0.687 456 R HN 0.000 nan 8.270 nan 0.000 0.535