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 1jql_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAHQD DATA SEQUENCE VRYYLNGMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AAASNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.361 176.300 0.101 0.000 1.140 1 M CA 0.000 55.356 55.300 0.094 0.000 0.988 1 M CB 0.000 32.672 32.600 0.119 0.000 1.302 2 K N 1.901 122.403 120.400 0.171 0.000 2.572 2 K HA 0.785 5.105 4.320 0.001 0.000 0.263 2 K C -2.356 174.410 176.600 0.276 0.000 0.932 2 K CA -0.590 55.763 56.287 0.111 0.000 0.838 2 K CB 2.187 34.713 32.500 0.044 0.000 1.366 2 K HN 0.889 nan 8.250 nan 0.000 0.425 3 F N -1.445 118.547 119.950 0.070 0.000 2.713 3 F HA 0.607 5.134 4.527 0.000 0.000 0.311 3 F C -1.554 174.291 175.800 0.075 0.000 1.141 3 F CA -0.768 57.286 58.000 0.089 0.000 0.939 3 F CB 2.033 41.075 39.000 0.069 0.000 1.325 3 F HN 0.216 nan 8.300 nan 0.000 0.453 4 T N 2.069 116.779 114.554 0.260 0.000 2.937 4 T HA 0.673 5.024 4.350 0.001 0.000 0.297 4 T C -1.483 173.342 174.700 0.207 0.000 0.991 4 T CA -0.633 61.548 62.100 0.135 0.000 0.990 4 T CB 1.652 70.566 68.868 0.077 0.000 0.991 4 T HN 0.656 nan 8.240 nan 0.000 0.440 5 V N 2.554 122.583 119.914 0.192 0.000 2.686 5 V HA 0.380 4.501 4.120 0.001 0.000 0.306 5 V C -0.004 176.108 176.094 0.030 0.000 1.065 5 V CA -1.154 61.239 62.300 0.155 0.000 0.894 5 V CB 2.116 34.093 31.823 0.256 0.000 1.004 5 V HN 0.771 nan 8.190 nan 0.000 0.424 6 E N 2.743 122.881 120.200 -0.105 0.000 2.529 6 E HA -0.058 4.292 4.350 0.001 0.000 0.259 6 E C 1.226 177.742 176.600 -0.139 0.000 0.966 6 E CA 0.195 56.469 56.400 -0.210 0.000 0.937 6 E CB 0.693 30.087 29.700 -0.508 0.000 0.923 6 E HN 0.626 nan 8.360 nan 0.000 0.468 7 R N 3.379 123.829 120.500 -0.084 0.000 2.185 7 R HA -0.204 4.136 4.340 0.001 0.000 0.247 7 R C 1.099 177.378 176.300 -0.035 0.000 1.159 7 R CA 1.438 57.504 56.100 -0.056 0.000 0.988 7 R CB 0.229 30.490 30.300 -0.065 0.000 0.871 7 R HN 0.345 nan 8.270 nan 0.000 0.458 8 E N -0.225 119.947 120.200 -0.047 0.000 2.208 8 E HA -0.146 4.205 4.350 0.001 0.000 0.193 8 E C 1.711 178.415 176.600 0.174 0.000 0.988 8 E CA 1.221 57.644 56.400 0.038 0.000 0.828 8 E CB -0.260 29.462 29.700 0.036 0.000 0.763 8 E HN 0.699 nan 8.360 nan 0.000 0.478 9 H N -0.591 118.496 119.070 0.029 0.000 2.436 9 H HA 0.025 4.581 4.556 0.000 0.000 0.294 9 H C 1.863 177.213 175.328 0.036 0.000 1.048 9 H CA 0.334 56.401 56.048 0.032 0.000 1.353 9 H CB 0.327 30.104 29.762 0.024 0.000 1.414 9 H HN -0.006 nan 8.280 nan 0.000 0.536 10 L N 0.741 122.060 121.223 0.159 0.000 2.492 10 L HA 0.010 4.351 4.340 0.001 0.000 0.223 10 L C 1.764 178.688 176.870 0.090 0.000 1.132 10 L CA 0.736 55.639 54.840 0.105 0.000 0.850 10 L CB -0.114 42.000 42.059 0.093 0.000 0.966 10 L HN 0.219 nan 8.230 nan 0.000 0.454 11 L N -0.875 120.400 121.223 0.088 0.000 2.007 11 L HA -0.165 4.175 4.340 0.001 0.000 0.205 11 L C 2.527 179.531 176.870 0.223 0.000 1.073 11 L CA 1.063 55.975 54.840 0.120 0.000 0.744 11 L CB -0.525 41.569 42.059 0.058 0.000 0.898 11 L HN 0.203 nan 8.230 nan 0.000 0.435 12 K N -0.003 120.506 120.400 0.181 0.000 2.015 12 K HA -0.200 4.121 4.320 0.001 0.000 0.216 12 K C -0.101 176.643 176.600 0.240 0.000 1.052 12 K CA 1.645 58.046 56.287 0.190 0.000 0.937 12 K CB -2.087 30.527 32.500 0.190 0.000 0.719 12 K HN 0.315 nan 8.250 nan 0.000 0.446 13 P HA -0.133 nan 4.420 nan 0.000 0.214 13 P C 1.704 179.128 177.300 0.206 0.000 1.163 13 P CA 0.702 63.975 63.100 0.289 0.000 0.883 13 P CB -0.020 31.739 31.700 0.098 0.000 0.788 14 L N 0.016 121.350 121.223 0.185 0.000 2.043 14 L HA -0.217 4.123 4.340 0.001 0.000 0.212 14 L C 2.381 179.280 176.870 0.048 0.000 1.075 14 L CA 1.915 56.871 54.840 0.194 0.000 0.752 14 L CB -1.554 40.691 42.059 0.310 0.000 0.891 14 L HN 0.025 nan 8.230 nan 0.000 0.432 15 Q N -1.665 118.138 119.800 0.006 0.000 2.297 15 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 15 Q C 2.084 177.994 176.000 -0.151 0.000 0.962 15 Q CA 1.252 56.864 55.803 -0.319 0.000 0.879 15 Q CB 0.182 28.830 28.738 -0.151 0.000 0.947 15 Q HN 0.591 nan 8.270 nan 0.000 0.462 16 Q N -0.289 119.519 119.800 0.013 0.000 2.123 16 Q HA -0.094 4.247 4.340 0.001 0.000 0.196 16 Q C 1.983 178.027 176.000 0.074 0.000 0.958 16 Q CA 1.666 57.491 55.803 0.036 0.000 0.841 16 Q CB 0.099 28.923 28.738 0.143 0.000 0.915 16 Q HN 0.354 nan 8.270 nan 0.000 0.455 17 V N -1.185 118.801 119.914 0.120 0.000 2.379 17 V HA -0.022 4.098 4.120 0.001 0.000 0.245 17 V C 1.279 177.416 176.094 0.072 0.000 1.044 17 V CA 1.302 63.672 62.300 0.116 0.000 1.036 17 V CB -1.006 30.887 31.823 0.116 0.000 0.664 17 V HN 0.386 nan 8.190 nan 0.000 0.453 18 S N 0.525 116.237 115.700 0.021 0.000 3.700 18 S HA 0.646 5.117 4.470 0.001 0.000 0.192 18 S C 0.697 175.248 174.600 -0.082 0.000 1.430 18 S CA -0.025 58.171 58.200 -0.008 0.000 0.999 18 S CB 0.130 63.321 63.200 -0.015 0.000 1.411 18 S HN 0.762 nan 8.310 nan 0.000 0.491 19 G N 2.992 111.768 108.800 -0.040 0.000 2.756 19 G HA2 0.266 4.227 3.960 0.001 0.000 0.203 19 G HA3 0.266 4.227 3.960 0.001 0.000 0.203 19 G C -1.059 173.813 174.900 -0.047 0.000 2.015 19 G CA -0.506 44.553 45.100 -0.067 0.000 0.835 19 G HN 0.539 nan 8.290 nan 0.000 0.648 20 P HA 0.065 nan 4.420 nan 0.000 0.242 20 P C 0.366 177.667 177.300 0.003 0.000 1.198 20 P CA 0.351 63.444 63.100 -0.012 0.000 0.756 20 P CB -0.383 31.313 31.700 -0.006 0.000 0.911 21 L N -3.657 117.570 121.223 0.007 0.000 2.642 21 L HA 0.813 5.154 4.340 0.001 0.000 0.229 21 L C 1.326 178.201 176.870 0.008 0.000 1.179 21 L CA -0.032 54.818 54.840 0.015 0.000 0.834 21 L CB -0.864 41.212 42.059 0.029 0.000 1.515 21 L HN -0.035 nan 8.230 nan 0.000 0.512 22 G N -1.997 106.812 108.800 0.015 0.000 2.145 22 G HA2 -0.066 3.895 3.960 0.001 0.000 0.145 22 G HA3 -0.066 3.895 3.960 0.001 0.000 0.145 22 G C 0.489 175.398 174.900 0.016 0.000 1.017 22 G CA 0.014 45.123 45.100 0.015 0.000 0.682 22 G HN 1.155 nan 8.290 nan 0.000 0.504 23 G N -0.178 108.632 108.800 0.017 0.000 2.499 23 G HA2 0.421 4.381 3.960 0.001 0.000 0.213 23 G HA3 0.421 4.381 3.960 0.001 0.000 0.213 23 G C 0.629 175.539 174.900 0.017 0.000 1.230 23 G CA 0.791 45.901 45.100 0.017 0.000 0.813 23 G HN 0.603 nan 8.290 nan 0.000 0.542 24 R N -0.500 120.010 120.500 0.017 0.000 2.633 24 R HA 0.255 4.595 4.340 0.001 0.000 0.256 24 R C -3.155 173.155 176.300 0.016 0.000 1.131 24 R CA -1.266 54.844 56.100 0.017 0.000 0.994 24 R CB 2.007 32.316 30.300 0.014 0.000 1.261 24 R HN 0.045 nan 8.270 nan 0.000 0.446 25 P HA -0.019 nan 4.420 nan 0.000 0.264 25 P C 0.878 178.184 177.300 0.010 0.000 1.229 25 P CA 0.167 63.278 63.100 0.019 0.000 0.780 25 P CB 0.772 32.488 31.700 0.026 0.000 0.808 26 T N 1.239 115.794 114.554 0.002 0.000 2.951 26 T HA -0.011 4.340 4.350 0.001 0.000 0.268 26 T C 0.512 175.209 174.700 -0.006 0.000 1.073 26 T CA 0.679 62.777 62.100 -0.004 0.000 1.134 26 T CB -0.113 68.748 68.868 -0.011 0.000 0.884 26 T HN 0.178 nan 8.240 nan 0.000 0.479 27 L N 0.693 121.912 121.223 -0.007 0.000 2.422 27 L HA 0.528 4.868 4.340 0.001 0.000 0.264 27 L C -2.170 174.704 176.870 0.006 0.000 0.984 27 L CA -2.296 52.539 54.840 -0.007 0.000 0.819 27 L CB 2.263 44.307 42.059 -0.025 0.000 1.330 27 L HN -0.262 nan 8.230 nan 0.000 0.410 28 P HA -0.154 nan 4.420 nan 0.000 0.212 28 P C 1.632 178.960 177.300 0.047 0.000 1.178 28 P CA 1.328 64.447 63.100 0.031 0.000 0.915 28 P CB 0.138 31.855 31.700 0.029 0.000 0.788 29 I N -1.025 119.572 120.570 0.046 0.000 2.315 29 I HA -0.225 3.945 4.170 0.001 0.000 0.251 29 I C 1.869 178.041 176.117 0.093 0.000 1.125 29 I CA 1.505 62.855 61.300 0.083 0.000 1.392 29 I CB -0.748 37.284 38.000 0.053 0.000 1.065 29 I HN -0.138 nan 8.210 nan 0.000 0.424 30 L N -0.103 121.131 121.223 0.018 0.000 2.456 30 L HA -0.064 4.276 4.340 0.001 0.000 0.224 30 L C 2.073 178.988 176.870 0.076 0.000 1.148 30 L CA 0.905 55.748 54.840 0.006 0.000 0.825 30 L CB -0.992 41.048 42.059 -0.032 0.000 0.937 30 L HN 0.444 nan 8.230 nan 0.000 0.450 31 G N -1.178 107.676 108.800 0.089 0.000 3.189 31 G HA2 0.018 3.978 3.960 0.001 0.000 0.225 31 G HA3 0.018 3.978 3.960 0.001 0.000 0.225 31 G C 0.174 175.152 174.900 0.129 0.000 1.159 31 G CA -0.244 44.912 45.100 0.094 0.000 0.763 31 G HN 0.229 nan 8.290 nan 0.000 0.549 32 N N -0.212 118.600 118.700 0.187 0.000 2.384 32 N HA 0.591 5.331 4.740 0.001 0.000 0.301 32 N C -0.764 174.886 175.510 0.233 0.000 1.133 32 N CA -0.521 52.645 53.050 0.192 0.000 0.853 32 N CB 2.030 40.625 38.487 0.180 0.000 1.241 32 N HN -0.104 nan 8.380 nan 0.000 0.502 33 L N 1.244 122.514 121.223 0.077 0.000 2.322 33 L HA 0.477 4.818 4.340 0.001 0.000 0.279 33 L C -0.585 176.105 176.870 -0.301 0.000 1.036 33 L CA -1.100 53.711 54.840 -0.048 0.000 0.807 33 L CB 1.299 43.393 42.059 0.059 0.000 1.226 33 L HN 0.273 nan 8.230 nan 0.000 0.433 34 L N 4.484 125.328 121.223 -0.631 0.000 2.276 34 L HA 0.471 4.811 4.340 0.001 0.000 0.286 34 L C -0.863 175.822 176.870 -0.309 0.000 1.061 34 L CA 0.158 54.608 54.840 -0.652 0.000 0.807 34 L CB 0.874 42.299 42.059 -1.056 0.000 1.177 34 L HN 0.377 nan 8.230 nan 0.000 0.429 35 L N 5.814 126.917 121.223 -0.201 0.000 2.305 35 L HA 0.568 4.908 4.340 0.001 0.000 0.284 35 L C -0.525 176.277 176.870 -0.114 0.000 1.013 35 L CA -0.494 54.271 54.840 -0.126 0.000 0.819 35 L CB 1.524 43.555 42.059 -0.047 0.000 1.227 35 L HN 0.631 nan 8.230 nan 0.000 0.417 36 Q N 2.893 122.615 119.800 -0.129 0.000 2.304 36 Q HA 0.609 4.949 4.340 0.001 0.000 0.270 36 Q C -1.341 174.589 176.000 -0.116 0.000 1.035 36 Q CA -0.621 55.123 55.803 -0.098 0.000 0.781 36 Q CB 3.593 32.276 28.738 -0.092 0.000 1.261 36 Q HN 0.361 nan 8.270 nan 0.000 0.444 37 V N 1.445 121.320 119.914 -0.065 0.000 2.487 37 V HA 0.935 5.055 4.120 0.001 0.000 0.298 37 V C -0.827 175.261 176.094 -0.009 0.000 1.028 37 V CA -0.490 61.773 62.300 -0.062 0.000 0.860 37 V CB 1.580 33.413 31.823 0.017 0.000 0.991 37 V HN 0.848 nan 8.190 nan 0.000 0.427 38 A N 3.343 126.144 122.820 -0.030 0.000 2.560 38 A HA 0.623 4.944 4.320 0.001 0.000 0.300 38 A C -0.749 176.828 177.584 -0.012 0.000 1.062 38 A CA -0.555 51.487 52.037 0.008 0.000 0.767 38 A CB 1.014 20.007 19.000 -0.011 0.000 1.288 38 A HN 0.782 nan 8.150 nan 0.000 0.396 39 D N 1.428 121.860 120.400 0.054 0.000 3.508 39 D HA -0.043 4.597 4.640 0.001 0.000 0.232 39 D C 1.495 177.777 176.300 -0.030 0.000 1.131 39 D CA 2.908 56.936 54.000 0.046 0.000 1.040 39 D CB -0.811 39.993 40.800 0.007 0.000 0.879 39 D HN 2.280 nan 8.370 nan 0.000 0.407 40 G N 1.422 110.197 108.800 -0.042 0.000 2.418 40 G HA2 -0.375 3.585 3.960 0.001 0.000 0.259 40 G HA3 -0.375 3.585 3.960 0.001 0.000 0.259 40 G C 0.632 175.326 174.900 -0.342 0.000 0.989 40 G CA 1.983 46.931 45.100 -0.252 0.000 0.646 40 G HN 1.199 nan 8.290 nan 0.000 0.570 41 T N -1.453 112.943 114.554 -0.264 0.000 2.912 41 T HA 0.675 5.025 4.350 0.001 0.000 0.288 41 T C -0.565 173.979 174.700 -0.260 0.000 1.030 41 T CA -0.408 61.550 62.100 -0.237 0.000 1.020 41 T CB 1.940 70.709 68.868 -0.165 0.000 1.056 41 T HN 1.071 nan 8.240 nan 0.000 0.480 42 L N 3.079 124.133 121.223 -0.281 0.000 2.305 42 L HA 0.730 5.071 4.340 0.001 0.000 0.284 42 L C -0.666 176.046 176.870 -0.263 0.000 1.013 42 L CA -0.015 54.620 54.840 -0.342 0.000 0.819 42 L CB 1.770 43.504 42.059 -0.542 0.000 1.227 42 L HN 0.742 nan 8.230 nan 0.000 0.417 43 S N 6.088 121.657 115.700 -0.218 0.000 2.456 43 S HA 0.752 5.222 4.470 0.001 0.000 0.316 43 S C -0.767 173.741 174.600 -0.152 0.000 1.089 43 S CA -0.534 57.565 58.200 -0.170 0.000 1.101 43 S CB 1.122 64.243 63.200 -0.131 0.000 0.995 43 S HN 0.431 nan 8.310 nan 0.000 0.468 44 L N 2.890 124.039 121.223 -0.123 0.000 2.307 44 L HA 0.658 4.998 4.340 0.001 0.000 0.284 44 L C 0.288 177.125 176.870 -0.054 0.000 1.023 44 L CA -0.091 54.702 54.840 -0.079 0.000 0.810 44 L CB 1.472 43.520 42.059 -0.018 0.000 1.231 44 L HN 0.573 nan 8.230 nan 0.000 0.423 45 T N 1.217 115.723 114.554 -0.080 0.000 2.886 45 T HA 0.791 5.141 4.350 0.001 0.000 0.292 45 T C -0.088 174.660 174.700 0.079 0.000 1.012 45 T CA -0.802 61.294 62.100 -0.007 0.000 0.982 45 T CB 1.889 70.751 68.868 -0.009 0.000 1.018 45 T HN 0.781 nan 8.240 nan 0.000 0.451 46 G N 0.462 109.381 108.800 0.199 0.000 2.519 46 G HA2 0.721 4.681 3.960 0.001 0.000 0.307 46 G HA3 0.721 4.681 3.960 0.001 0.000 0.307 46 G C -1.143 173.914 174.900 0.262 0.000 1.266 46 G CA -0.609 44.656 45.100 0.276 0.000 0.970 46 G HN 0.764 nan 8.290 nan 0.000 0.481 47 T N -1.032 113.647 114.554 0.209 0.000 2.840 47 T HA 0.466 4.817 4.350 0.001 0.000 0.317 47 T C -0.990 173.702 174.700 -0.012 0.000 1.401 47 T CA -0.175 61.953 62.100 0.046 0.000 1.028 47 T CB 1.990 70.810 68.868 -0.081 0.000 1.317 47 T HN 0.649 nan 8.240 nan 0.000 0.495 48 D N 2.208 122.590 120.400 -0.029 0.000 2.525 48 D HA 0.190 4.830 4.640 0.001 0.000 0.231 48 D C 1.342 177.609 176.300 -0.056 0.000 1.216 48 D CA -0.032 53.949 54.000 -0.031 0.000 0.813 48 D CB -0.299 40.502 40.800 0.000 0.000 1.108 48 D HN 0.611 nan 8.370 nan 0.000 0.524 49 L N -0.729 120.446 121.223 -0.080 0.000 4.892 49 L HA -0.212 4.128 4.340 0.001 0.000 0.403 49 L C 0.937 177.763 176.870 -0.074 0.000 0.913 49 L CA 1.256 56.043 54.840 -0.088 0.000 1.653 49 L CB -1.142 40.866 42.059 -0.084 0.000 1.780 49 L HN 0.087 nan 8.230 nan 0.000 0.597 50 E N 0.062 120.227 120.200 -0.059 0.000 2.290 50 E HA 0.284 4.635 4.350 0.001 0.000 0.199 50 E C 0.653 177.205 176.600 -0.081 0.000 0.912 50 E CA 1.221 57.587 56.400 -0.056 0.000 0.924 50 E CB 0.665 30.352 29.700 -0.022 0.000 0.901 50 E HN 0.678 nan 8.360 nan 0.000 0.487 51 M N -0.039 119.517 119.600 -0.074 0.000 2.414 51 M HA 0.456 4.936 4.480 0.001 0.000 0.287 51 M C -1.598 174.644 176.300 -0.097 0.000 1.181 51 M CA -0.695 54.516 55.300 -0.149 0.000 0.933 51 M CB 2.866 35.430 32.600 -0.059 0.000 1.732 51 M HN -0.193 nan 8.290 nan 0.000 0.486 52 E N 3.304 123.404 120.200 -0.166 0.000 2.288 52 E HA 0.751 5.101 4.350 0.001 0.000 0.268 52 E C -1.593 175.008 176.600 0.001 0.000 0.885 52 E CA -1.065 55.317 56.400 -0.030 0.000 0.767 52 E CB 2.698 32.405 29.700 0.011 0.000 1.220 52 E HN 0.678 nan 8.360 nan 0.000 0.427 53 M N 2.361 122.028 119.600 0.111 0.000 2.383 53 M HA 0.421 4.902 4.480 0.001 0.000 0.325 53 M C -1.249 175.130 176.300 0.132 0.000 1.092 53 M CA -1.016 54.384 55.300 0.168 0.000 0.961 53 M CB 1.861 34.597 32.600 0.228 0.000 1.672 53 M HN 0.563 nan 8.290 nan 0.000 0.438 54 V N 2.290 122.271 119.914 0.112 0.000 2.656 54 V HA 0.884 5.004 4.120 0.001 0.000 0.307 54 V C -0.428 175.659 176.094 -0.010 0.000 1.051 54 V CA -0.969 61.353 62.300 0.038 0.000 0.893 54 V CB 1.848 33.667 31.823 -0.006 0.000 0.999 54 V HN 0.934 nan 8.190 nan 0.000 0.426 55 A N 4.660 127.409 122.820 -0.118 0.000 2.356 55 A HA 0.879 5.199 4.320 0.001 0.000 0.310 55 A C -0.575 176.816 177.584 -0.322 0.000 1.075 55 A CA -0.814 50.992 52.037 -0.385 0.000 0.746 55 A CB 1.297 20.087 19.000 -0.351 0.000 1.221 55 A HN 0.661 nan 8.150 nan 0.000 0.443 56 R N 1.193 121.467 120.500 -0.377 0.000 2.407 56 R HA 0.629 4.969 4.340 0.001 0.000 0.303 56 R C -1.178 174.962 176.300 -0.266 0.000 0.981 56 R CA -0.538 55.406 56.100 -0.260 0.000 0.905 56 R CB 1.519 31.699 30.300 -0.199 0.000 1.099 56 R HN 0.419 nan 8.270 nan 0.000 0.459 57 V N 1.721 121.504 119.914 -0.218 0.000 2.525 57 V HA 0.388 4.508 4.120 0.001 0.000 0.299 57 V C 0.001 175.996 176.094 -0.166 0.000 1.034 57 V CA -1.259 60.931 62.300 -0.183 0.000 0.863 57 V CB 1.838 33.566 31.823 -0.158 0.000 0.999 57 V HN 0.892 nan 8.190 nan 0.000 0.423 58 A N 5.921 128.662 122.820 -0.132 0.000 2.492 58 A HA 0.588 4.908 4.320 0.001 0.000 0.254 58 A C -0.208 177.324 177.584 -0.086 0.000 1.091 58 A CA 0.006 51.977 52.037 -0.111 0.000 0.768 58 A CB -0.080 18.871 19.000 -0.081 0.000 1.028 58 A HN 0.833 nan 8.150 nan 0.000 0.498 59 L N 4.488 125.625 121.223 -0.143 0.000 2.270 59 L HA 0.166 4.507 4.340 0.001 0.000 0.286 59 L C 0.896 177.769 176.870 0.005 0.000 1.059 59 L CA -0.530 54.244 54.840 -0.111 0.000 0.839 59 L CB 1.005 42.844 42.059 -0.366 0.000 1.221 59 L HN 0.642 nan 8.230 nan 0.000 0.431 60 V N 1.341 121.298 119.914 0.072 0.000 2.379 60 V HA -0.078 4.042 4.120 0.001 0.000 0.243 60 V C 1.300 177.470 176.094 0.126 0.000 1.035 60 V CA 0.958 63.314 62.300 0.094 0.000 1.035 60 V CB -0.167 31.708 31.823 0.088 0.000 0.673 60 V HN 0.703 nan 8.190 nan 0.000 0.457 61 Q N 1.215 121.094 119.800 0.132 0.000 2.471 61 Q HA 0.233 4.573 4.340 0.001 0.000 0.223 61 Q C -2.136 173.967 176.000 0.171 0.000 1.045 61 Q CA -1.934 53.942 55.803 0.122 0.000 0.956 61 Q CB -0.810 27.990 28.738 0.102 0.000 1.249 61 Q HN 0.269 nan 8.270 nan 0.000 0.549 62 P HA -0.035 nan 4.420 nan 0.000 0.265 62 P C -0.529 176.843 177.300 0.120 0.000 1.187 62 P CA 0.700 63.831 63.100 0.051 0.000 0.766 62 P CB 0.441 32.144 31.700 0.005 0.000 0.820 63 H N 0.004 119.110 119.070 0.061 0.000 2.966 63 H HA 0.587 5.144 4.556 0.001 0.000 0.330 63 H C -1.440 173.927 175.328 0.066 0.000 1.292 63 H CA -0.941 55.160 56.048 0.088 0.000 1.127 63 H CB 2.308 32.134 29.762 0.106 0.000 1.863 63 H HN 0.481 nan 8.280 nan 0.000 0.543 64 E N 1.857 122.177 120.200 0.200 0.000 2.274 64 E HA 0.277 4.627 4.350 0.001 0.000 0.269 64 E C -2.926 173.771 176.600 0.162 0.000 0.891 64 E CA -2.256 54.208 56.400 0.108 0.000 0.784 64 E CB 2.938 32.672 29.700 0.057 0.000 1.225 64 E HN 0.368 nan 8.360 nan 0.000 0.412 65 P HA 0.182 nan 4.420 nan 0.000 0.269 65 P C 0.066 177.408 177.300 0.070 0.000 1.211 65 P CA 0.513 63.673 63.100 0.100 0.000 0.781 65 P CB 0.849 32.590 31.700 0.068 0.000 0.877 66 G N -0.761 108.069 108.800 0.050 0.000 2.359 66 G HA2 0.532 4.492 3.960 0.001 0.000 0.293 66 G HA3 0.532 4.492 3.960 0.001 0.000 0.293 66 G C -2.174 172.737 174.900 0.019 0.000 1.300 66 G CA 0.003 45.124 45.100 0.035 0.000 0.888 66 G HN 0.634 nan 8.290 nan 0.000 0.541 67 A N -1.163 121.661 122.820 0.007 0.000 2.577 67 A HA 1.016 5.336 4.320 0.001 0.000 0.297 67 A C -0.407 177.164 177.584 -0.023 0.000 1.060 67 A CA 0.635 52.662 52.037 -0.016 0.000 0.697 67 A CB 1.692 20.676 19.000 -0.027 0.000 1.281 67 A HN 2.146 nan 8.150 nan 0.000 0.402 68 T N -0.416 114.109 114.554 -0.048 0.000 2.648 68 T HA 0.769 5.120 4.350 0.001 0.000 0.304 68 T C -1.330 173.310 174.700 -0.100 0.000 1.312 68 T CA 0.148 62.216 62.100 -0.054 0.000 1.023 68 T CB 1.732 70.575 68.868 -0.041 0.000 1.612 68 T HN 1.003 nan 8.240 nan 0.000 0.487 69 T N 1.321 115.826 114.554 -0.080 0.000 2.921 69 T HA 0.687 5.037 4.350 0.001 0.000 0.297 69 T C -1.078 173.587 174.700 -0.058 0.000 1.013 69 T CA -0.441 61.606 62.100 -0.089 0.000 0.990 69 T CB 1.020 69.880 68.868 -0.013 0.000 1.023 69 T HN 0.954 nan 8.240 nan 0.000 0.447 70 V N 1.733 121.610 119.914 -0.062 0.000 2.971 70 V HA 0.743 4.863 4.120 0.001 0.000 0.309 70 V C -3.151 172.963 176.094 0.034 0.000 1.130 70 V CA -3.283 58.989 62.300 -0.047 0.000 0.964 70 V CB 1.830 33.547 31.823 -0.178 0.000 1.029 70 V HN 0.496 nan 8.190 nan 0.000 0.427 71 P HA 0.095 nan 4.420 nan 0.000 0.256 71 P C 0.906 178.303 177.300 0.162 0.000 1.173 71 P CA 1.175 64.337 63.100 0.103 0.000 0.768 71 P CB 0.803 32.558 31.700 0.091 0.000 0.758 72 A N 5.684 128.600 122.820 0.161 0.000 1.865 72 A HA -0.246 4.075 4.320 0.001 0.000 0.217 72 A C 2.245 179.960 177.584 0.218 0.000 1.191 72 A CA 1.382 53.538 52.037 0.198 0.000 0.623 72 A CB -0.643 18.440 19.000 0.140 0.000 0.826 72 A HN 0.355 nan 8.150 nan 0.000 0.444 73 R N 0.032 120.628 120.500 0.160 0.000 2.082 73 R HA -0.111 4.230 4.340 0.001 0.000 0.234 73 R C 2.160 178.575 176.300 0.192 0.000 1.136 73 R CA 1.977 58.176 56.100 0.166 0.000 0.935 73 R CB -0.708 29.658 30.300 0.110 0.000 0.842 73 R HN 0.661 nan 8.270 nan 0.000 0.430 74 K N -0.455 120.036 120.400 0.152 0.000 2.020 74 K HA -0.186 4.134 4.320 0.001 0.000 0.212 74 K C 2.050 178.737 176.600 0.146 0.000 1.050 74 K CA 1.697 58.054 56.287 0.117 0.000 0.929 74 K CB -0.481 32.081 32.500 0.102 0.000 0.714 74 K HN 0.051 nan 8.250 nan 0.000 0.443 75 F N 1.221 121.191 119.950 0.033 0.000 2.161 75 F HA -0.219 4.309 4.527 0.002 0.000 0.300 75 F C 1.976 177.793 175.800 0.028 0.000 1.089 75 F CA 1.031 59.041 58.000 0.016 0.000 1.282 75 F CB -0.563 38.474 39.000 0.062 0.000 1.010 75 F HN -0.022 nan 8.300 nan 0.000 0.485 76 F N 1.313 121.198 119.950 -0.109 0.000 2.102 76 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 76 F C 2.287 177.976 175.800 -0.185 0.000 1.105 76 F CA 2.125 59.999 58.000 -0.209 0.000 1.239 76 F CB -0.804 38.149 39.000 -0.079 0.000 0.991 76 F HN -0.089 nan 8.300 nan 0.000 0.474 77 D N 0.833 121.135 120.400 -0.164 0.000 2.092 77 D HA -0.225 4.415 4.640 0.001 0.000 0.193 77 D C 2.578 178.671 176.300 -0.345 0.000 0.994 77 D CA 1.912 55.767 54.000 -0.242 0.000 0.828 77 D CB -0.637 40.125 40.800 -0.064 0.000 0.963 77 D HN 0.353 nan 8.370 nan 0.000 0.450 78 I N 0.957 121.328 120.570 -0.332 0.000 2.113 78 I HA -0.383 3.787 4.170 0.001 0.000 0.242 78 I C 2.598 178.460 176.117 -0.425 0.000 1.057 78 I CA 1.164 62.179 61.300 -0.475 0.000 1.314 78 I CB -0.349 37.356 38.000 -0.492 0.000 1.022 78 I HN 0.119 nan 8.210 nan 0.000 0.408 79 C N 0.062 119.077 119.300 -0.475 0.000 2.436 79 C HA -0.181 4.279 4.460 0.001 0.000 0.277 79 C C 2.949 177.697 174.990 -0.405 0.000 1.241 79 C CA 0.916 59.672 59.018 -0.437 0.000 1.721 79 C CB -1.284 26.125 27.740 -0.552 0.000 2.043 79 C HN 0.497 nan 8.230 nan 0.000 0.472 80 R N 1.168 121.319 120.500 -0.583 0.000 2.159 80 R HA -0.113 4.227 4.340 0.001 0.000 0.237 80 R C 2.049 178.186 176.300 -0.272 0.000 1.131 80 R CA 1.810 57.615 56.100 -0.491 0.000 0.982 80 R CB -0.558 29.309 30.300 -0.722 0.000 0.868 80 R HN 0.595 nan 8.270 nan 0.000 0.453 81 G N 0.824 109.476 108.800 -0.247 0.000 2.712 81 G HA2 0.064 4.024 3.960 0.001 0.000 0.212 81 G HA3 0.064 4.024 3.960 0.001 0.000 0.212 81 G C 0.727 175.575 174.900 -0.087 0.000 1.142 81 G CA -0.180 44.834 45.100 -0.143 0.000 0.789 81 G HN 0.111 nan 8.290 nan 0.000 0.535 82 L N 1.213 122.374 121.223 -0.103 0.000 2.475 82 L HA 0.299 4.640 4.340 0.001 0.000 0.253 82 L C -1.683 175.159 176.870 -0.046 0.000 1.198 82 L CA -1.876 52.937 54.840 -0.046 0.000 0.814 82 L CB 0.683 42.714 42.059 -0.047 0.000 1.134 82 L HN -0.032 nan 8.230 nan 0.000 0.478 83 P HA 0.110 nan 4.420 nan 0.000 0.278 83 P C -1.202 176.081 177.300 -0.030 0.000 1.238 83 P CA -0.603 62.483 63.100 -0.023 0.000 0.794 83 P CB 0.573 32.267 31.700 -0.010 0.000 0.955 84 E N 0.700 120.883 120.200 -0.028 0.000 2.415 84 E HA 0.271 4.621 4.350 0.001 0.000 0.262 84 E C 0.856 177.441 176.600 -0.026 0.000 1.038 84 E CA -0.208 56.175 56.400 -0.028 0.000 0.921 84 E CB -0.409 29.279 29.700 -0.020 0.000 0.950 84 E HN 0.768 nan 8.360 nan 0.000 0.438 85 G N 1.421 110.201 108.800 -0.034 0.000 2.217 85 G HA2 -0.310 3.650 3.960 0.001 0.000 0.246 85 G HA3 -0.310 3.650 3.960 0.001 0.000 0.246 85 G C 0.374 175.249 174.900 -0.041 0.000 0.990 85 G CA -0.066 45.012 45.100 -0.037 0.000 0.627 85 G HN 1.000 nan 8.290 nan 0.000 0.522 86 A N 0.252 123.051 122.820 -0.036 0.000 2.440 86 A HA 0.624 4.945 4.320 0.001 0.000 0.251 86 A C 0.354 177.917 177.584 -0.034 0.000 1.089 86 A CA 0.386 52.406 52.037 -0.028 0.000 0.779 86 A CB 0.277 19.265 19.000 -0.019 0.000 1.022 86 A HN 0.461 nan 8.150 nan 0.000 0.492 87 E N 0.917 121.103 120.200 -0.025 0.000 2.343 87 E HA 0.483 4.833 4.350 0.001 0.000 0.269 87 E C -0.715 175.883 176.600 -0.003 0.000 1.047 87 E CA 0.227 56.615 56.400 -0.020 0.000 0.874 87 E CB 1.112 30.805 29.700 -0.012 0.000 1.033 87 E HN 0.504 nan 8.360 nan 0.000 0.409 88 I N 2.293 122.870 120.570 0.012 0.000 2.437 88 I HA 0.348 4.518 4.170 0.001 0.000 0.279 88 I C -0.575 175.538 176.117 -0.006 0.000 1.028 88 I CA -0.832 60.480 61.300 0.020 0.000 1.142 88 I CB 1.338 39.361 38.000 0.038 0.000 1.266 88 I HN 0.454 nan 8.210 nan 0.000 0.461 89 A N 6.797 129.594 122.820 -0.038 0.000 2.309 89 A HA 0.652 4.972 4.320 0.001 0.000 0.290 89 A C -0.284 177.180 177.584 -0.200 0.000 1.206 89 A CA -0.264 51.707 52.037 -0.110 0.000 0.850 89 A CB 0.512 19.475 19.000 -0.062 0.000 1.118 89 A HN 0.454 nan 8.150 nan 0.000 0.523 90 V N 3.297 122.920 119.914 -0.485 0.000 2.581 90 V HA 0.641 4.761 4.120 0.001 0.000 0.303 90 V C -0.013 175.795 176.094 -0.476 0.000 1.041 90 V CA -0.406 61.555 62.300 -0.565 0.000 0.907 90 V CB 1.544 32.735 31.823 -1.053 0.000 0.994 90 V HN 1.018 nan 8.190 nan 0.000 0.442 91 Q N 3.623 123.270 119.800 -0.256 0.000 2.295 91 Q HA 0.527 4.867 4.340 0.001 0.000 0.268 91 Q C -2.043 173.901 176.000 -0.092 0.000 1.010 91 Q CA -0.809 54.906 55.803 -0.146 0.000 0.856 91 Q CB 2.287 30.967 28.738 -0.096 0.000 1.349 91 Q HN 0.611 nan 8.270 nan 0.000 0.412 92 L N 2.789 123.979 121.223 -0.055 0.000 2.397 92 L HA 0.439 4.779 4.340 0.001 0.000 0.271 92 L C -0.843 176.011 176.870 -0.028 0.000 1.148 92 L CA 0.859 55.677 54.840 -0.037 0.000 0.825 92 L CB 1.063 43.113 42.059 -0.014 0.000 1.117 92 L HN 0.865 nan 8.230 nan 0.000 0.456 93 E N 3.853 124.038 120.200 -0.024 0.000 2.499 93 E HA 0.469 4.820 4.350 0.001 0.000 0.327 93 E C -0.056 176.537 176.600 -0.013 0.000 0.929 93 E CA 0.291 56.681 56.400 -0.017 0.000 0.788 93 E CB 0.208 29.896 29.700 -0.019 0.000 1.452 93 E HN 0.978 nan 8.360 nan 0.000 0.387 94 G N 4.248 113.043 108.800 -0.009 0.000 2.527 94 G HA2 -0.311 3.649 3.960 0.001 0.000 0.262 94 G HA3 -0.311 3.649 3.960 0.001 0.000 0.262 94 G C 0.220 175.117 174.900 -0.006 0.000 1.153 94 G CA 0.254 45.351 45.100 -0.006 0.000 0.954 94 G HN 0.551 nan 8.290 nan 0.000 0.552 95 E N 1.006 121.203 120.200 -0.004 0.000 2.685 95 E HA 0.287 4.638 4.350 0.001 0.000 0.208 95 E C 0.571 177.167 176.600 -0.006 0.000 0.996 95 E CA -0.297 56.101 56.400 -0.003 0.000 1.054 95 E CB 0.695 30.396 29.700 0.002 0.000 1.075 95 E HN 0.257 nan 8.360 nan 0.000 0.460 96 R N 1.062 121.555 120.500 -0.011 0.000 2.854 96 R HA 0.534 4.874 4.340 0.001 0.000 0.271 96 R C -0.722 175.559 176.300 -0.030 0.000 0.994 96 R CA -0.775 55.317 56.100 -0.014 0.000 0.945 96 R CB 2.224 32.521 30.300 -0.005 0.000 1.194 96 R HN 0.102 nan 8.270 nan 0.000 0.476 97 M N 3.184 122.758 119.600 -0.045 0.000 2.253 97 M HA 0.421 4.901 4.480 0.001 0.000 0.314 97 M C -1.461 174.805 176.300 -0.058 0.000 1.019 97 M CA -0.660 54.594 55.300 -0.078 0.000 0.932 97 M CB 1.270 33.781 32.600 -0.149 0.000 1.606 97 M HN 0.405 nan 8.290 nan 0.000 0.430 98 L N 5.584 126.773 121.223 -0.056 0.000 2.292 98 L HA 0.600 4.940 4.340 0.001 0.000 0.284 98 L C -0.865 175.991 176.870 -0.023 0.000 1.065 98 L CA -1.013 53.815 54.840 -0.019 0.000 0.806 98 L CB 1.223 43.267 42.059 -0.025 0.000 1.175 98 L HN 0.450 nan 8.230 nan 0.000 0.431 99 V N 4.118 124.077 119.914 0.076 0.000 2.378 99 V HA 0.478 4.598 4.120 0.001 0.000 0.288 99 V C -0.097 176.097 176.094 0.166 0.000 1.016 99 V CA -0.547 61.828 62.300 0.126 0.000 0.840 99 V CB 1.710 33.678 31.823 0.242 0.000 0.994 99 V HN 0.738 nan 8.190 nan 0.000 0.431 100 R N 2.925 123.473 120.500 0.080 0.000 2.621 100 R HA 0.738 5.079 4.340 0.001 0.000 0.292 100 R C -0.932 175.401 176.300 0.055 0.000 0.969 100 R CA -0.237 55.902 56.100 0.064 0.000 0.887 100 R CB 1.843 32.148 30.300 0.009 0.000 1.180 100 R HN 0.667 nan 8.270 nan 0.000 0.450 101 S N 2.824 118.563 115.700 0.064 0.000 2.536 101 S HA 0.489 4.960 4.470 0.001 0.000 0.246 101 S C 0.105 174.724 174.600 0.031 0.000 1.077 101 S CA 0.451 58.678 58.200 0.044 0.000 1.091 101 S CB 0.719 63.953 63.200 0.056 0.000 1.148 101 S HN 1.110 nan 8.310 nan 0.000 0.447 102 G N 5.086 113.893 108.800 0.011 0.000 2.779 102 G HA2 -0.240 3.720 3.960 0.001 0.000 0.284 102 G HA3 -0.240 3.720 3.960 0.001 0.000 0.284 102 G C 0.347 175.244 174.900 -0.005 0.000 1.326 102 G CA 0.299 45.401 45.100 0.003 0.000 0.983 102 G HN 0.641 nan 8.290 nan 0.000 0.555 103 R N 0.902 121.396 120.500 -0.010 0.000 2.509 103 R HA 0.420 4.760 4.340 0.001 0.000 0.297 103 R C 0.621 176.887 176.300 -0.057 0.000 0.951 103 R CA 0.580 56.662 56.100 -0.030 0.000 1.103 103 R CB 0.219 30.500 30.300 -0.031 0.000 1.283 103 R HN 0.391 nan 8.270 nan 0.000 0.534 104 S N 2.450 118.131 115.700 -0.033 0.000 2.505 104 S HA 0.325 4.796 4.470 0.001 0.000 0.276 104 S C 0.080 174.615 174.600 -0.108 0.000 1.274 104 S CA -0.261 57.889 58.200 -0.084 0.000 1.053 104 S CB 0.746 64.018 63.200 0.119 0.000 0.919 104 S HN 0.208 nan 8.310 nan 0.000 0.490 105 R N 1.701 121.978 120.500 -0.372 0.000 2.522 105 R HA 0.646 4.986 4.340 0.001 0.000 0.283 105 R C -1.756 174.286 176.300 -0.429 0.000 1.074 105 R CA -0.648 55.327 56.100 -0.209 0.000 0.925 105 R CB 0.665 30.900 30.300 -0.107 0.000 1.205 105 R HN 0.368 nan 8.270 nan 0.000 0.436 106 F N 0.780 120.735 119.950 0.007 0.000 2.661 106 F HA 0.731 5.259 4.527 0.001 0.000 0.347 106 F C 0.254 176.057 175.800 0.006 0.000 1.086 106 F CA -1.074 56.934 58.000 0.014 0.000 1.016 106 F CB 2.216 41.237 39.000 0.036 0.000 1.368 106 F HN 0.670 nan 8.300 nan 0.000 0.505 107 S N 1.006 116.843 115.700 0.228 0.000 2.649 107 S HA 0.758 5.229 4.470 0.001 0.000 0.274 107 S C -1.649 173.004 174.600 0.088 0.000 1.176 107 S CA -0.677 57.586 58.200 0.106 0.000 0.988 107 S CB 0.498 63.729 63.200 0.053 0.000 1.071 107 S HN 0.555 nan 8.310 nan 0.000 0.478 108 L N 3.219 124.467 121.223 0.042 0.000 2.334 108 L HA 0.711 5.051 4.340 0.001 0.000 0.270 108 L C 0.860 177.732 176.870 0.004 0.000 1.018 108 L CA -0.680 54.176 54.840 0.027 0.000 0.811 108 L CB 1.912 43.973 42.059 0.003 0.000 1.271 108 L HN 0.887 nan 8.230 nan 0.000 0.443 109 S N -0.797 114.911 115.700 0.014 0.000 2.624 109 S HA 0.707 5.177 4.470 0.001 0.000 0.263 109 S C 0.001 174.600 174.600 -0.002 0.000 1.287 109 S CA -0.232 57.974 58.200 0.010 0.000 0.990 109 S CB 1.171 64.384 63.200 0.022 0.000 0.950 109 S HN 0.809 nan 8.310 nan 0.000 0.561 110 T N -1.794 112.760 114.554 -0.000 0.000 2.804 110 T HA 0.747 5.097 4.350 0.001 0.000 0.290 110 T C -1.035 173.673 174.700 0.015 0.000 1.099 110 T CA -1.034 61.064 62.100 -0.003 0.000 1.011 110 T CB 0.695 69.551 68.868 -0.020 0.000 1.291 110 T HN 0.624 nan 8.240 nan 0.000 0.523 111 L N 1.316 122.552 121.223 0.022 0.000 2.482 111 L HA 0.526 4.866 4.340 0.001 0.000 0.263 111 L C -2.533 174.361 176.870 0.040 0.000 0.957 111 L CA -2.466 52.398 54.840 0.039 0.000 0.836 111 L CB 3.044 45.141 42.059 0.064 0.000 1.324 111 L HN 0.594 nan 8.230 nan 0.000 0.406 112 P HA -0.056 nan 4.420 nan 0.000 0.262 112 P C 0.322 177.657 177.300 0.058 0.000 1.182 112 P CA 0.091 63.213 63.100 0.037 0.000 0.761 112 P CB 1.163 32.883 31.700 0.034 0.000 0.795 113 A N 4.599 127.441 122.820 0.036 0.000 1.978 113 A HA -0.155 4.165 4.320 0.001 0.000 0.220 113 A C 2.281 179.920 177.584 0.091 0.000 1.170 113 A CA 2.006 54.068 52.037 0.041 0.000 0.636 113 A CB -1.325 17.672 19.000 -0.006 0.000 0.810 113 A HN 0.591 nan 8.150 nan 0.000 0.448 114 A N -0.007 122.852 122.820 0.066 0.000 1.978 114 A HA -0.177 4.144 4.320 0.001 0.000 0.220 114 A C 1.570 179.203 177.584 0.081 0.000 1.170 114 A CA 1.874 53.950 52.037 0.064 0.000 0.636 114 A CB -0.464 18.560 19.000 0.041 0.000 0.810 114 A HN 0.452 nan 8.150 nan 0.000 0.448 115 D N -1.741 118.715 120.400 0.092 0.000 2.347 115 D HA 0.084 4.724 4.640 0.001 0.000 0.213 115 D C 0.108 176.476 176.300 0.113 0.000 0.985 115 D CA 0.033 54.083 54.000 0.082 0.000 0.879 115 D CB -0.237 40.604 40.800 0.068 0.000 0.919 115 D HN 0.380 nan 8.370 nan 0.000 0.526 116 F N 3.202 123.155 119.950 0.005 0.000 2.541 116 F HA 0.135 4.663 4.527 0.000 0.000 0.378 116 F C -1.563 174.240 175.800 0.005 0.000 1.068 116 F CA -2.363 55.640 58.000 0.006 0.000 1.199 116 F CB 0.749 39.752 39.000 0.006 0.000 1.091 116 F HN -0.147 nan 8.300 nan 0.000 0.555 117 P HA -0.031 nan 4.420 nan 0.000 0.231 117 P C -0.788 176.354 177.300 -0.264 0.000 1.756 117 P CA 0.006 62.932 63.100 -0.289 0.000 0.990 117 P CB -0.305 31.200 31.700 -0.324 0.000 1.973 118 N N 1.053 119.738 118.700 -0.025 0.000 2.525 118 N HA 0.158 4.898 4.740 0.001 0.000 0.271 118 N C -0.144 175.402 175.510 0.061 0.000 1.194 118 N CA -0.276 52.858 53.050 0.140 0.000 0.964 118 N CB 0.381 39.034 38.487 0.277 0.000 1.126 118 N HN 0.173 nan 8.380 nan 0.000 0.452 119 L N 2.227 123.494 121.223 0.072 0.000 2.319 119 L HA 0.162 4.502 4.340 0.001 0.000 0.280 119 L C -0.232 176.697 176.870 0.098 0.000 1.099 119 L CA -0.480 54.408 54.840 0.080 0.000 0.828 119 L CB 0.445 42.573 42.059 0.114 0.000 1.150 119 L HN 0.501 nan 8.230 nan 0.000 0.442 120 D N 2.883 123.336 120.400 0.087 0.000 2.383 120 D HA 0.009 4.650 4.640 0.001 0.000 0.252 120 D C 0.179 176.542 176.300 0.105 0.000 1.166 120 D CA -0.060 53.983 54.000 0.072 0.000 0.879 120 D CB 0.511 41.344 40.800 0.055 0.000 1.164 120 D HN 0.341 nan 8.370 nan 0.000 0.462 121 D N 2.008 122.427 120.400 0.032 0.000 2.567 121 D HA -0.092 4.548 4.640 0.001 0.000 0.228 121 D C -0.321 176.000 176.300 0.035 0.000 1.185 121 D CA 0.405 54.364 54.000 -0.069 0.000 0.874 121 D CB 0.447 41.162 40.800 -0.140 0.000 1.219 121 D HN 0.421 nan 8.370 nan 0.000 0.494 122 W N 1.279 122.571 121.300 -0.013 0.000 3.055 122 W HA 0.493 5.153 4.660 0.000 0.000 0.340 122 W C -0.689 175.828 176.519 -0.004 0.000 1.180 122 W CA -0.819 56.520 57.345 -0.010 0.000 1.077 122 W CB 0.298 29.748 29.460 -0.017 0.000 1.479 122 W HN 0.113 nan 8.180 nan 0.000 0.593 123 Q N 1.877 121.861 119.800 0.307 0.000 2.333 123 Q HA 0.274 4.614 4.340 0.001 0.000 0.268 123 Q C -0.185 176.011 176.000 0.326 0.000 1.007 123 Q CA -0.559 55.342 55.803 0.163 0.000 0.810 123 Q CB 1.824 30.617 28.738 0.091 0.000 1.264 123 Q HN 0.456 nan 8.270 nan 0.000 0.452 124 S N 2.450 118.280 115.700 0.217 0.000 2.533 124 S HA 0.123 4.594 4.470 0.001 0.000 0.282 124 S C 0.462 175.178 174.600 0.194 0.000 1.304 124 S CA -0.064 58.320 58.200 0.307 0.000 1.063 124 S CB 0.703 64.007 63.200 0.175 0.000 0.881 124 S HN 0.654 nan 8.310 nan 0.000 0.493 125 E N 1.600 121.926 120.200 0.209 0.000 2.318 125 E HA 0.221 4.572 4.350 0.001 0.000 0.193 125 E C 0.311 176.989 176.600 0.129 0.000 0.998 125 E CA 0.365 56.840 56.400 0.123 0.000 0.859 125 E CB 0.644 30.389 29.700 0.075 0.000 0.812 125 E HN 0.500 nan 8.360 nan 0.000 0.492 126 V N 0.869 120.905 119.914 0.204 0.000 3.147 126 V HA 0.313 4.434 4.120 0.001 0.000 0.299 126 V C -2.116 174.106 176.094 0.214 0.000 1.302 126 V CA -0.665 61.769 62.300 0.224 0.000 1.015 126 V CB 2.267 34.280 31.823 0.317 0.000 1.086 126 V HN 0.262 nan 8.190 nan 0.000 0.437 127 E N 4.479 124.804 120.200 0.207 0.000 2.388 127 E HA 0.745 5.095 4.350 0.001 0.000 0.280 127 E C -1.577 175.108 176.600 0.141 0.000 1.019 127 E CA -0.773 55.660 56.400 0.056 0.000 0.806 127 E CB 2.152 31.846 29.700 -0.010 0.000 1.246 127 E HN 1.062 nan 8.360 nan 0.000 0.443 128 F N -1.731 118.255 119.950 0.060 0.000 3.052 128 F HA 0.769 5.296 4.527 0.001 0.000 0.323 128 F C -1.422 174.405 175.800 0.044 0.000 1.178 128 F CA -0.930 57.097 58.000 0.046 0.000 0.892 128 F CB 1.477 40.509 39.000 0.053 0.000 1.416 128 F HN 0.347 nan 8.300 nan 0.000 0.488 129 T N 2.518 117.246 114.554 0.290 0.000 2.886 129 T HA 0.777 5.127 4.350 0.001 0.000 0.292 129 T C -1.516 173.341 174.700 0.262 0.000 1.012 129 T CA -0.588 61.618 62.100 0.176 0.000 0.982 129 T CB 1.713 70.633 68.868 0.086 0.000 1.018 129 T HN 0.753 nan 8.240 nan 0.000 0.451 130 L N 1.262 122.615 121.223 0.216 0.000 2.469 130 L HA 0.787 5.128 4.340 0.001 0.000 0.256 130 L C -3.178 173.762 176.870 0.118 0.000 1.006 130 L CA -2.995 51.952 54.840 0.180 0.000 0.832 130 L CB -0.257 41.943 42.059 0.235 0.000 1.421 130 L HN 0.238 nan 8.230 nan 0.000 0.410 131 P HA 0.229 nan 4.420 nan 0.000 0.270 131 P C 0.201 177.541 177.300 0.067 0.000 1.223 131 P CA -0.191 62.948 63.100 0.064 0.000 0.785 131 P CB 0.565 32.294 31.700 0.048 0.000 0.923 132 Q N 1.374 121.206 119.800 0.053 0.000 2.124 132 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 132 Q C 1.936 177.961 176.000 0.042 0.000 0.977 132 Q CA 1.851 57.683 55.803 0.048 0.000 0.850 132 Q CB -0.503 28.255 28.738 0.033 0.000 0.901 132 Q HN 0.539 nan 8.270 nan 0.000 0.429 133 A N 0.217 123.058 122.820 0.035 0.000 2.019 133 A HA -0.148 4.172 4.320 0.001 0.000 0.219 133 A C 2.136 179.739 177.584 0.032 0.000 1.164 133 A CA 1.626 53.679 52.037 0.027 0.000 0.644 133 A CB -0.520 18.493 19.000 0.021 0.000 0.805 133 A HN 0.273 nan 8.150 nan 0.000 0.449 134 T N -0.486 114.094 114.554 0.043 0.000 2.770 134 T HA -0.073 4.277 4.350 0.001 0.000 0.263 134 T C 1.990 176.722 174.700 0.053 0.000 1.039 134 T CA 1.347 63.473 62.100 0.044 0.000 1.142 134 T CB -0.213 68.688 68.868 0.055 0.000 0.868 134 T HN 0.272 nan 8.240 nan 0.000 0.435 135 M N 1.043 120.691 119.600 0.081 0.000 2.159 135 M HA -0.034 4.447 4.480 0.001 0.000 0.263 135 M C 2.241 178.580 176.300 0.066 0.000 1.063 135 M CA 1.494 56.857 55.300 0.104 0.000 1.110 135 M CB -0.684 31.994 32.600 0.129 0.000 1.374 135 M HN 0.181 nan 8.290 nan 0.000 0.411 136 K N -0.083 120.343 120.400 0.044 0.000 2.002 136 K HA -0.234 4.086 4.320 0.001 0.000 0.209 136 K C 2.080 178.693 176.600 0.020 0.000 1.048 136 K CA 1.865 58.167 56.287 0.025 0.000 0.930 136 K CB -0.166 32.343 32.500 0.015 0.000 0.714 136 K HN 0.159 nan 8.250 nan 0.000 0.438 137 R N 0.761 121.272 120.500 0.018 0.000 2.103 137 R HA -0.145 4.195 4.340 0.001 0.000 0.242 137 R C 2.250 178.549 176.300 -0.001 0.000 1.142 137 R CA 1.560 57.668 56.100 0.013 0.000 0.960 137 R CB -0.381 29.925 30.300 0.010 0.000 0.858 137 R HN 0.217 nan 8.270 nan 0.000 0.439 138 L N 0.186 121.398 121.223 -0.018 0.000 2.046 138 L HA -0.179 4.162 4.340 0.001 0.000 0.208 138 L C 2.411 179.224 176.870 -0.095 0.000 1.077 138 L CA 1.410 56.205 54.840 -0.074 0.000 0.747 138 L CB -0.273 41.733 42.059 -0.089 0.000 0.896 138 L HN 0.299 nan 8.230 nan 0.000 0.432 139 I N -0.943 119.602 120.570 -0.043 0.000 2.333 139 I HA -0.210 3.960 4.170 0.001 0.000 0.246 139 I C 2.364 178.484 176.117 0.004 0.000 1.106 139 I CA 1.035 62.315 61.300 -0.032 0.000 1.411 139 I CB -0.303 37.714 38.000 0.027 0.000 1.082 139 I HN 0.244 nan 8.210 nan 0.000 0.420 140 E N 1.237 121.454 120.200 0.028 0.000 2.077 140 E HA -0.196 4.155 4.350 0.001 0.000 0.193 140 E C 2.273 178.951 176.600 0.130 0.000 0.989 140 E CA 1.272 57.711 56.400 0.065 0.000 0.800 140 E CB -0.147 29.580 29.700 0.045 0.000 0.746 140 E HN 0.481 nan 8.360 nan 0.000 0.452 141 A N 0.645 123.530 122.820 0.107 0.000 2.178 141 A HA -0.125 4.195 4.320 0.001 0.000 0.218 141 A C 2.056 179.795 177.584 0.258 0.000 1.157 141 A CA 1.881 54.036 52.037 0.196 0.000 0.689 141 A CB -0.311 18.745 19.000 0.094 0.000 0.787 141 A HN 0.386 nan 8.150 nan 0.000 0.465 142 T N -4.335 110.267 114.554 0.080 0.000 3.046 142 T HA 0.055 4.405 4.350 0.001 0.000 0.270 142 T C 1.526 176.102 174.700 -0.206 0.000 0.920 142 T CA 0.500 62.537 62.100 -0.105 0.000 0.874 142 T CB -0.499 68.236 68.868 -0.221 0.000 1.214 142 T HN 0.552 nan 8.240 nan 0.000 0.536 143 Q N 1.670 121.438 119.800 -0.053 0.000 2.224 143 Q HA -0.045 4.296 4.340 0.001 0.000 0.203 143 Q C 1.867 177.848 176.000 -0.032 0.000 0.970 143 Q CA 1.490 57.264 55.803 -0.047 0.000 0.865 143 Q CB -1.112 27.634 28.738 0.013 0.000 0.922 143 Q HN 0.721 nan 8.270 nan 0.000 0.445 144 F N -0.164 119.791 119.950 0.009 0.000 2.546 144 F HA 0.223 4.751 4.527 0.001 0.000 0.298 144 F C 1.299 177.110 175.800 0.019 0.000 1.120 144 F CA 0.584 58.592 58.000 0.012 0.000 1.456 144 F CB -0.143 38.857 39.000 0.001 0.000 1.088 144 F HN -0.064 nan 8.300 nan 0.000 0.572 145 S N 0.437 115.749 115.700 -0.648 0.000 2.556 145 S HA 0.264 4.735 4.470 0.001 0.000 0.216 145 S C 0.804 175.290 174.600 -0.190 0.000 0.970 145 S CA -0.341 57.578 58.200 -0.470 0.000 0.912 145 S CB -0.259 62.565 63.200 -0.626 0.000 0.790 145 S HN 0.248 nan 8.310 nan 0.000 0.504 146 M N 1.785 121.314 119.600 -0.117 0.000 2.245 146 M HA 0.276 4.757 4.480 0.001 0.000 0.330 146 M C 0.607 176.903 176.300 -0.008 0.000 1.098 146 M CA -0.219 55.055 55.300 -0.043 0.000 1.172 146 M CB 0.263 32.841 32.600 -0.037 0.000 1.467 146 M HN 0.185 nan 8.290 nan 0.000 0.454 147 A N 1.174 123.996 122.820 0.004 0.000 2.313 147 A HA 0.331 4.651 4.320 0.001 0.000 0.261 147 A C -0.672 176.958 177.584 0.076 0.000 1.090 147 A CA -0.219 51.836 52.037 0.030 0.000 0.807 147 A CB 0.333 19.320 19.000 -0.022 0.000 1.055 147 A HN 0.814 nan 8.150 nan 0.000 0.492 148 H N 0.088 119.169 119.070 0.018 0.000 2.906 148 H HA 0.327 4.883 4.556 0.000 0.000 0.324 148 H C -0.374 174.966 175.328 0.021 0.000 0.973 148 H CA -0.060 56.004 56.048 0.027 0.000 1.321 148 H CB 0.636 30.421 29.762 0.039 0.000 1.535 148 H HN 0.855 nan 8.280 nan 0.000 0.518 149 Q N 1.531 121.513 119.800 0.305 0.000 2.461 149 Q HA -0.262 4.079 4.340 0.001 0.000 0.264 149 Q C -0.399 175.648 176.000 0.079 0.000 1.085 149 Q CA 1.397 57.298 55.803 0.164 0.000 1.006 149 Q CB -0.806 28.007 28.738 0.125 0.000 1.437 149 Q HN 0.685 nan 8.270 nan 0.000 0.514 150 D N -1.349 119.082 120.400 0.052 0.000 2.362 150 D HA 0.157 4.798 4.640 0.001 0.000 0.242 150 D C 1.043 177.334 176.300 -0.016 0.000 1.132 150 D CA 0.034 54.032 54.000 -0.004 0.000 0.907 150 D CB 1.085 41.848 40.800 -0.062 0.000 1.195 150 D HN -0.054 nan 8.370 nan 0.000 0.429 151 V N 2.565 122.465 119.914 -0.022 0.000 2.913 151 V HA -0.084 4.037 4.120 0.001 0.000 0.260 151 V C 1.250 177.330 176.094 -0.024 0.000 1.098 151 V CA 1.248 63.552 62.300 0.006 0.000 1.121 151 V CB -0.689 31.142 31.823 0.014 0.000 0.714 151 V HN 0.483 nan 8.190 nan 0.000 0.487 152 R N 0.460 120.837 120.500 -0.204 0.000 3.570 152 R HA 0.180 4.520 4.340 0.001 0.000 0.233 152 R C 1.428 177.241 176.300 -0.811 0.000 1.492 152 R CA -0.300 55.450 56.100 -0.584 0.000 1.504 152 R CB -0.264 29.575 30.300 -0.767 0.000 1.314 152 R HN 0.662 nan 8.270 nan 0.000 0.687 153 Y N 0.102 120.223 120.300 -0.299 0.000 2.215 153 Y HA -0.403 4.148 4.550 0.001 0.000 0.282 153 Y C 1.409 177.231 175.900 -0.130 0.000 1.207 153 Y CA 1.315 59.326 58.100 -0.149 0.000 1.196 153 Y CB -0.914 37.536 38.460 -0.017 0.000 0.969 153 Y HN 0.491 nan 8.280 nan 0.000 0.528 154 Y N -0.681 119.239 120.300 -0.634 0.000 2.680 154 Y HA 0.159 4.710 4.550 0.001 0.000 0.303 154 Y C 1.437 177.350 175.900 0.021 0.000 1.166 154 Y CA 0.103 58.058 58.100 -0.242 0.000 1.344 154 Y CB -0.866 37.384 38.460 -0.350 0.000 1.002 154 Y HN 0.269 nan 8.280 nan 0.000 0.537 155 L N 0.133 121.157 121.223 -0.331 0.000 2.556 155 L HA 0.112 4.453 4.340 0.001 0.000 0.226 155 L C 0.557 177.427 176.870 -0.000 0.000 1.089 155 L CA 0.089 54.855 54.840 -0.123 0.000 0.864 155 L CB -0.132 41.739 42.059 -0.313 0.000 1.067 155 L HN 0.172 nan 8.230 nan 0.000 0.477 156 N N 1.867 120.560 118.700 -0.011 0.000 2.878 156 N HA 0.211 4.951 4.740 0.001 0.000 0.282 156 N C 0.286 175.822 175.510 0.045 0.000 1.284 156 N CA 0.252 53.315 53.050 0.021 0.000 1.053 156 N CB 0.727 39.236 38.487 0.038 0.000 1.382 156 N HN 0.293 nan 8.380 nan 0.000 0.529 157 G N -0.591 108.251 108.800 0.071 0.000 2.488 157 G HA2 0.431 4.392 3.960 0.001 0.000 0.301 157 G HA3 0.431 4.392 3.960 0.001 0.000 0.301 157 G C -1.640 173.291 174.900 0.052 0.000 1.339 157 G CA -0.693 44.448 45.100 0.068 0.000 0.803 157 G HN 0.163 nan 8.290 nan 0.000 0.482 158 M N 0.682 120.298 119.600 0.027 0.000 2.383 158 M HA 0.724 5.205 4.480 0.001 0.000 0.325 158 M C -1.285 174.928 176.300 -0.145 0.000 1.092 158 M CA -0.978 54.274 55.300 -0.079 0.000 0.961 158 M CB 1.957 34.541 32.600 -0.026 0.000 1.672 158 M HN 0.568 nan 8.290 nan 0.000 0.438 159 L N 4.420 125.333 121.223 -0.516 0.000 2.326 159 L HA 0.558 4.899 4.340 0.001 0.000 0.278 159 L C -1.892 174.783 176.870 -0.325 0.000 1.092 159 L CA 0.390 54.901 54.840 -0.550 0.000 0.810 159 L CB 0.731 42.123 42.059 -1.112 0.000 1.153 159 L HN 0.614 nan 8.230 nan 0.000 0.439 160 F N 3.556 123.357 119.950 -0.249 0.000 2.493 160 F HA 0.524 5.052 4.527 0.000 0.000 0.329 160 F C -0.172 175.544 175.800 -0.139 0.000 1.126 160 F CA -0.460 57.447 58.000 -0.155 0.000 0.937 160 F CB 1.612 40.560 39.000 -0.087 0.000 1.146 160 F HN 0.595 nan 8.300 nan 0.000 0.442 161 E N 0.551 120.757 120.200 0.009 0.000 2.383 161 E HA 0.739 5.090 4.350 0.001 0.000 0.275 161 E C -1.547 175.051 176.600 -0.002 0.000 0.918 161 E CA -1.092 55.315 56.400 0.011 0.000 0.764 161 E CB 2.396 32.105 29.700 0.015 0.000 1.252 161 E HN 0.445 nan 8.360 nan 0.000 0.449 162 T N -0.667 113.896 114.554 0.016 0.000 2.924 162 T HA 0.733 5.083 4.350 0.001 0.000 0.291 162 T C -0.823 173.880 174.700 0.005 0.000 1.045 162 T CA -0.855 61.230 62.100 -0.025 0.000 1.015 162 T CB 1.556 70.400 68.868 -0.039 0.000 1.103 162 T HN 0.740 nan 8.240 nan 0.000 0.496 163 E N -0.132 120.055 120.200 -0.022 0.000 2.649 163 E HA 0.512 4.863 4.350 0.001 0.000 0.308 163 E C 0.276 176.862 176.600 -0.024 0.000 1.017 163 E CA -0.810 55.586 56.400 -0.006 0.000 0.848 163 E CB 0.447 30.152 29.700 0.008 0.000 1.240 163 E HN 1.338 nan 8.360 nan 0.000 0.421 164 G N 2.792 111.582 108.800 -0.016 0.000 2.566 164 G HA2 -0.369 3.592 3.960 0.001 0.000 0.280 164 G HA3 -0.369 3.592 3.960 0.001 0.000 0.280 164 G C 0.197 175.074 174.900 -0.038 0.000 1.225 164 G CA 0.413 45.501 45.100 -0.021 0.000 0.966 164 G HN 0.700 nan 8.290 nan 0.000 0.560 165 E N 1.244 121.419 120.200 -0.041 0.000 2.370 165 E HA 0.313 4.664 4.350 0.001 0.000 0.194 165 E C 0.383 176.933 176.600 -0.084 0.000 1.057 165 E CA 0.092 56.458 56.400 -0.057 0.000 1.011 165 E CB 0.487 30.167 29.700 -0.033 0.000 1.132 165 E HN 0.457 nan 8.360 nan 0.000 0.450 166 E N 1.298 121.441 120.200 -0.094 0.000 2.238 166 E HA 0.396 4.747 4.350 0.001 0.000 0.267 166 E C -1.643 174.868 176.600 -0.148 0.000 0.887 166 E CA -0.923 55.415 56.400 -0.104 0.000 0.769 166 E CB 1.433 31.094 29.700 -0.065 0.000 1.187 166 E HN -0.035 nan 8.360 nan 0.000 0.416 167 L N 4.366 125.494 121.223 -0.159 0.000 2.333 167 L HA 0.550 4.891 4.340 0.001 0.000 0.280 167 L C -1.051 175.742 176.870 -0.128 0.000 1.004 167 L CA -0.263 54.477 54.840 -0.166 0.000 0.820 167 L CB 1.174 43.113 42.059 -0.199 0.000 1.247 167 L HN 0.606 nan 8.230 nan 0.000 0.416 168 R N 1.910 122.325 120.500 -0.142 0.000 2.837 168 R HA 0.928 5.268 4.340 0.001 0.000 0.271 168 R C -1.471 174.629 176.300 -0.334 0.000 0.993 168 R CA -0.345 55.630 56.100 -0.208 0.000 0.931 168 R CB 1.931 32.122 30.300 -0.181 0.000 1.206 168 R HN 0.647 nan 8.270 nan 0.000 0.474 169 T N -0.867 113.426 114.554 -0.435 0.000 2.893 169 T HA 0.580 4.930 4.350 0.001 0.000 0.293 169 T C -0.754 173.644 174.700 -0.503 0.000 1.027 169 T CA -0.735 60.996 62.100 -0.616 0.000 0.988 169 T CB 1.741 70.162 68.868 -0.745 0.000 1.043 169 T HN 0.762 nan 8.240 nan 0.000 0.461 170 V N 0.249 119.865 119.914 -0.497 0.000 2.733 170 V HA 0.938 5.059 4.120 0.001 0.000 0.306 170 V C -1.037 174.899 176.094 -0.263 0.000 1.084 170 V CA -0.551 61.509 62.300 -0.401 0.000 0.905 170 V CB 1.140 32.696 31.823 -0.444 0.000 1.010 170 V HN 1.588 nan 8.190 nan 0.000 0.424 171 A N 3.942 126.671 122.820 -0.152 0.000 2.401 171 A HA 0.984 5.304 4.320 0.001 0.000 0.310 171 A C -0.290 177.297 177.584 0.005 0.000 1.075 171 A CA -0.169 51.847 52.037 -0.034 0.000 0.746 171 A CB 2.217 21.122 19.000 -0.157 0.000 1.277 171 A HN 1.689 nan 8.150 nan 0.000 0.425 172 T N -0.465 114.133 114.554 0.074 0.000 2.840 172 T HA 0.518 4.868 4.350 0.001 0.000 0.317 172 T C -1.716 172.940 174.700 -0.074 0.000 1.401 172 T CA 0.198 62.273 62.100 -0.041 0.000 1.028 172 T CB 1.547 70.380 68.868 -0.059 0.000 1.317 172 T HN 0.874 nan 8.240 nan 0.000 0.495 173 D N 0.087 120.417 120.400 -0.117 0.000 2.620 173 D HA 0.389 5.030 4.640 0.001 0.000 0.260 173 D C 1.317 177.492 176.300 -0.209 0.000 1.367 173 D CA 0.647 54.579 54.000 -0.113 0.000 0.805 173 D CB 0.042 40.824 40.800 -0.030 0.000 1.096 173 D HN 1.135 nan 8.370 nan 0.000 0.488 174 G N 0.524 109.171 108.800 -0.254 0.000 2.358 174 G HA2 -0.363 3.598 3.960 0.001 0.000 0.224 174 G HA3 -0.363 3.598 3.960 0.001 0.000 0.224 174 G C 1.056 175.707 174.900 -0.415 0.000 1.073 174 G CA 0.358 45.234 45.100 -0.372 0.000 0.635 174 G HN 0.425 nan 8.290 nan 0.000 0.509 175 H N 0.958 119.991 119.070 -0.062 0.000 2.406 175 H HA 0.247 4.803 4.556 0.001 0.000 0.304 175 H C 1.592 176.813 175.328 -0.178 0.000 1.042 175 H CA 1.577 57.586 56.048 -0.065 0.000 1.360 175 H CB 0.302 30.067 29.762 0.006 0.000 1.448 175 H HN 0.647 nan 8.280 nan 0.000 0.553 176 R N 0.438 120.811 120.500 -0.212 0.000 2.854 176 R HA 0.651 4.992 4.340 0.001 0.000 0.271 176 R C -1.218 175.002 176.300 -0.133 0.000 0.996 176 R CA -0.782 55.200 56.100 -0.197 0.000 0.961 176 R CB 1.776 31.863 30.300 -0.356 0.000 1.182 176 R HN 0.098 nan 8.270 nan 0.000 0.479 177 L N 0.084 121.267 121.223 -0.067 0.000 2.422 177 L HA 0.921 5.261 4.340 0.001 0.000 0.264 177 L C -1.416 175.404 176.870 -0.085 0.000 0.984 177 L CA -0.718 54.075 54.840 -0.079 0.000 0.819 177 L CB 2.275 44.315 42.059 -0.032 0.000 1.330 177 L HN 0.968 nan 8.230 nan 0.000 0.410 178 A N 3.972 126.679 122.820 -0.188 0.000 2.386 178 A HA 0.840 5.161 4.320 0.001 0.000 0.311 178 A C -1.670 175.685 177.584 -0.382 0.000 1.068 178 A CA -0.508 51.353 52.037 -0.294 0.000 0.743 178 A CB 2.093 20.954 19.000 -0.230 0.000 1.258 178 A HN 0.813 nan 8.150 nan 0.000 0.429 179 V N 1.114 120.724 119.914 -0.506 0.000 3.012 179 V HA 0.741 4.862 4.120 0.001 0.000 0.307 179 V C -1.360 174.474 176.094 -0.434 0.000 1.166 179 V CA -0.295 61.706 62.300 -0.498 0.000 0.974 179 V CB 1.574 33.007 31.823 -0.650 0.000 1.040 179 V HN 1.769 nan 8.190 nan 0.000 0.428 180 C N 4.325 123.415 119.300 -0.350 0.000 2.985 180 C HA 0.885 5.346 4.460 0.001 0.000 0.332 180 C C -0.393 174.471 174.990 -0.209 0.000 1.164 180 C CA 0.016 58.885 59.018 -0.248 0.000 1.347 180 C CB 1.300 28.925 27.740 -0.191 0.000 1.764 180 C HN 1.074 nan 8.230 nan 0.000 0.489 181 S N 5.297 120.909 115.700 -0.147 0.000 2.536 181 S HA 0.890 5.361 4.470 0.001 0.000 0.287 181 S C -1.048 173.503 174.600 -0.081 0.000 1.101 181 S CA -0.581 57.550 58.200 -0.115 0.000 0.950 181 S CB 1.619 64.766 63.200 -0.088 0.000 1.056 181 S HN 0.757 nan 8.310 nan 0.000 0.481 182 M N 3.619 123.175 119.600 -0.073 0.000 2.433 182 M HA 0.455 4.935 4.480 0.001 0.000 0.290 182 M C -2.945 173.324 176.300 -0.052 0.000 1.173 182 M CA -2.353 52.917 55.300 -0.050 0.000 0.905 182 M CB 1.935 34.514 32.600 -0.035 0.000 1.692 182 M HN 0.304 nan 8.290 nan 0.000 0.462 183 P HA 0.378 nan 4.420 nan 0.000 0.279 183 P C -0.072 177.208 177.300 -0.032 0.000 1.239 183 P CA -0.245 62.832 63.100 -0.038 0.000 0.789 183 P CB 0.743 32.429 31.700 -0.023 0.000 0.933 184 I N -1.774 118.769 120.570 -0.045 0.000 3.833 184 I HA 0.397 4.567 4.170 0.001 0.000 0.328 184 I C 0.915 177.030 176.117 -0.002 0.000 1.554 184 I CA -0.551 60.736 61.300 -0.022 0.000 1.116 184 I CB -0.307 37.659 38.000 -0.057 0.000 1.182 184 I HN 0.480 nan 8.210 nan 0.000 0.459 185 G N 2.108 110.903 108.800 -0.007 0.000 2.422 185 G HA2 -0.277 3.683 3.960 0.001 0.000 0.301 185 G HA3 -0.277 3.683 3.960 0.001 0.000 0.301 185 G C -0.179 174.727 174.900 0.010 0.000 0.981 185 G CA 0.576 45.678 45.100 0.003 0.000 0.994 185 G HN 0.728 nan 8.290 nan 0.000 0.514 186 Q N -0.829 118.970 119.800 -0.001 0.000 2.295 186 Q HA 0.419 4.759 4.340 0.001 0.000 0.268 186 Q C -0.648 175.349 176.000 -0.005 0.000 1.010 186 Q CA -0.652 55.158 55.803 0.012 0.000 0.856 186 Q CB 1.834 30.599 28.738 0.044 0.000 1.349 186 Q HN 0.202 nan 8.270 nan 0.000 0.412 187 S N 3.176 118.881 115.700 0.008 0.000 2.430 187 S HA 0.319 4.790 4.470 0.001 0.000 0.282 187 S C -0.269 174.339 174.600 0.013 0.000 1.186 187 S CA -0.233 57.970 58.200 0.004 0.000 1.060 187 S CB -0.179 63.027 63.200 0.010 0.000 0.966 187 S HN 0.307 nan 8.310 nan 0.000 0.501 188 L N 5.301 126.522 121.223 -0.003 0.000 2.334 188 L HA 0.570 4.911 4.340 0.001 0.000 0.276 188 L C -2.014 174.872 176.870 0.027 0.000 1.014 188 L CA -2.350 52.498 54.840 0.014 0.000 0.815 188 L CB 0.946 42.977 42.059 -0.047 0.000 1.268 188 L HN 0.335 nan 8.230 nan 0.000 0.428 189 P HA 0.100 nan 4.420 nan 0.000 0.274 189 P C -0.639 176.699 177.300 0.064 0.000 1.231 189 P CA -0.481 62.645 63.100 0.043 0.000 0.790 189 P CB 1.263 32.984 31.700 0.036 0.000 0.951 190 S N 1.796 117.528 115.700 0.053 0.000 2.510 190 S HA 0.216 4.686 4.470 0.001 0.000 0.279 190 S C -0.265 174.421 174.600 0.143 0.000 1.284 190 S CA -0.155 58.091 58.200 0.076 0.000 1.059 190 S CB -0.100 63.130 63.200 0.049 0.000 0.901 190 S HN 0.736 nan 8.310 nan 0.000 0.491 191 H N 1.000 120.092 119.070 0.038 0.000 2.990 191 H HA 0.639 5.196 4.556 0.001 0.000 0.343 191 H C -1.438 173.925 175.328 0.057 0.000 1.270 191 H CA -0.850 55.229 56.048 0.051 0.000 1.118 191 H CB 2.015 31.820 29.762 0.071 0.000 1.861 191 H HN 0.752 nan 8.280 nan 0.000 0.544 192 S N 1.834 117.567 115.700 0.054 0.000 2.562 192 S HA 0.497 4.968 4.470 0.001 0.000 0.274 192 S C -1.731 172.781 174.600 -0.146 0.000 1.160 192 S CA -0.204 57.961 58.200 -0.058 0.000 0.933 192 S CB 0.851 64.083 63.200 0.053 0.000 1.100 192 S HN 0.700 nan 8.310 nan 0.000 0.468 193 V N 2.352 122.184 119.914 -0.138 0.000 3.087 193 V HA 0.698 4.818 4.120 0.001 0.000 0.306 193 V C -1.202 174.866 176.094 -0.044 0.000 1.187 193 V CA -1.030 61.210 62.300 -0.100 0.000 0.999 193 V CB 1.724 33.442 31.823 -0.175 0.000 1.049 193 V HN 0.847 nan 8.190 nan 0.000 0.431 194 I N 3.009 123.568 120.570 -0.018 0.000 2.304 194 I HA 0.484 4.654 4.170 0.001 0.000 0.291 194 I C -0.289 175.841 176.117 0.021 0.000 1.018 194 I CA -0.807 60.495 61.300 0.004 0.000 1.260 194 I CB 1.610 39.661 38.000 0.086 0.000 1.390 194 I HN 0.467 nan 8.210 nan 0.000 0.475 195 V N 8.528 128.473 119.914 0.053 0.000 2.439 195 V HA 0.272 4.392 4.120 0.001 0.000 0.282 195 V C -2.067 174.065 176.094 0.064 0.000 1.039 195 V CA -1.862 60.450 62.300 0.019 0.000 0.913 195 V CB 1.100 32.901 31.823 -0.036 0.000 0.983 195 V HN 0.562 nan 8.190 nan 0.000 0.460 196 P HA 0.064 nan 4.420 nan 0.000 0.268 196 P C 0.818 178.148 177.300 0.051 0.000 1.208 196 P CA -0.108 63.027 63.100 0.058 0.000 0.777 196 P CB 0.563 32.291 31.700 0.047 0.000 0.875 197 R N 2.968 123.483 120.500 0.025 0.000 2.094 197 R HA -0.262 4.078 4.340 0.001 0.000 0.239 197 R C 1.279 177.570 176.300 -0.015 0.000 1.137 197 R CA 2.238 58.328 56.100 -0.017 0.000 0.943 197 R CB -0.530 29.719 30.300 -0.085 0.000 0.850 197 R HN 0.253 nan 8.270 nan 0.000 0.433 198 K N 0.204 120.603 120.400 -0.002 0.000 2.147 198 K HA -0.011 4.310 4.320 0.001 0.000 0.205 198 K C 2.080 178.709 176.600 0.049 0.000 1.049 198 K CA 1.413 57.707 56.287 0.012 0.000 0.936 198 K CB -0.631 31.887 32.500 0.030 0.000 0.722 198 K HN 0.473 nan 8.250 nan 0.000 0.446 199 G N 0.779 109.643 108.800 0.106 0.000 2.404 199 G HA2 -0.189 3.771 3.960 0.001 0.000 0.215 199 G HA3 -0.189 3.771 3.960 0.001 0.000 0.215 199 G C 1.630 176.547 174.900 0.028 0.000 1.174 199 G CA 0.732 45.975 45.100 0.239 0.000 0.780 199 G HN 0.133 nan 8.290 nan 0.000 0.537 200 V N 1.743 121.677 119.914 0.034 0.000 2.287 200 V HA -0.186 3.934 4.120 0.001 0.000 0.248 200 V C 2.839 178.894 176.094 -0.065 0.000 1.053 200 V CA 1.265 63.578 62.300 0.021 0.000 1.027 200 V CB -0.399 31.471 31.823 0.079 0.000 0.646 200 V HN 0.270 nan 8.190 nan 0.000 0.447 201 I N -0.184 120.344 120.570 -0.070 0.000 2.163 201 I HA -0.189 3.982 4.170 0.001 0.000 0.243 201 I C 2.645 178.663 176.117 -0.166 0.000 1.085 201 I CA 1.621 62.868 61.300 -0.089 0.000 1.347 201 I CB -1.304 36.656 38.000 -0.066 0.000 1.044 201 I HN 0.361 nan 8.210 nan 0.000 0.408 202 E N 0.382 120.427 120.200 -0.259 0.000 2.077 202 E HA -0.196 4.155 4.350 0.001 0.000 0.193 202 E C 2.151 178.404 176.600 -0.578 0.000 0.989 202 E CA 0.806 56.951 56.400 -0.425 0.000 0.800 202 E CB -0.595 28.769 29.700 -0.559 0.000 0.746 202 E HN 0.281 nan 8.360 nan 0.000 0.452 203 L N 0.720 121.527 121.223 -0.693 0.000 2.012 203 L HA -0.169 4.171 4.340 0.001 0.000 0.210 203 L C 2.341 179.068 176.870 -0.239 0.000 1.073 203 L CA 1.761 56.302 54.840 -0.498 0.000 0.748 203 L CB -0.943 40.942 42.059 -0.289 0.000 0.891 203 L HN 0.128 nan 8.230 nan 0.000 0.431 204 M N 0.009 119.510 119.600 -0.165 0.000 2.115 204 M HA -0.267 4.213 4.480 0.001 0.000 0.258 204 M C 2.493 178.725 176.300 -0.113 0.000 1.071 204 M CA 2.415 57.659 55.300 -0.093 0.000 1.100 204 M CB -0.757 31.804 32.600 -0.064 0.000 1.292 204 M HN 0.358 nan 8.290 nan 0.000 0.415 205 R N 0.336 120.751 120.500 -0.141 0.000 2.133 205 R HA -0.251 4.089 4.340 0.001 0.000 0.245 205 R C 2.207 178.411 176.300 -0.160 0.000 1.137 205 R CA 2.675 58.691 56.100 -0.140 0.000 0.947 205 R CB -0.851 29.357 30.300 -0.154 0.000 0.865 205 R HN 0.726 nan 8.270 nan 0.000 0.437 206 M N 0.873 120.350 119.600 -0.206 0.000 2.700 206 M HA 0.056 4.537 4.480 0.001 0.000 0.249 206 M C -0.493 175.717 176.300 -0.149 0.000 1.082 206 M CA 1.043 56.211 55.300 -0.220 0.000 1.077 206 M CB -0.030 32.426 32.600 -0.238 0.000 1.477 206 M HN 0.016 nan 8.290 nan 0.000 0.529 207 L N 2.752 123.913 121.223 -0.104 0.000 2.265 207 L HA 0.238 4.579 4.340 0.001 0.000 0.288 207 L C 0.455 177.293 176.870 -0.052 0.000 1.058 207 L CA -0.531 54.276 54.840 -0.056 0.000 0.809 207 L CB 0.945 42.985 42.059 -0.030 0.000 1.179 207 L HN 0.341 nan 8.230 nan 0.000 0.429 208 D N 1.878 122.255 120.400 -0.038 0.000 2.424 208 D HA 0.080 4.721 4.640 0.001 0.000 0.220 208 D C 1.172 177.466 176.300 -0.011 0.000 1.150 208 D CA 0.455 54.437 54.000 -0.030 0.000 0.831 208 D CB 0.949 41.731 40.800 -0.030 0.000 0.981 208 D HN 0.765 nan 8.370 nan 0.000 0.500 209 G N 1.002 109.799 108.800 -0.005 0.000 2.693 209 G HA2 -0.386 3.574 3.960 0.001 0.000 0.240 209 G HA3 -0.386 3.574 3.960 0.001 0.000 0.240 209 G C 0.970 175.876 174.900 0.011 0.000 1.102 209 G CA 0.822 45.925 45.100 0.005 0.000 0.694 209 G HN 0.808 nan 8.290 nan 0.000 0.531 210 G N -0.244 108.561 108.800 0.009 0.000 3.273 210 G HA2 0.109 4.069 3.960 0.001 0.000 0.516 210 G HA3 0.109 4.069 3.960 0.001 0.000 0.516 210 G C 0.830 175.741 174.900 0.019 0.000 1.281 210 G CA 0.780 45.888 45.100 0.014 0.000 1.201 210 G HN 0.309 nan 8.290 nan 0.000 0.743 211 D N 0.106 120.517 120.400 0.019 0.000 2.149 211 D HA -0.090 4.550 4.640 0.001 0.000 0.198 211 D C 1.023 177.338 176.300 0.024 0.000 0.990 211 D CA 0.627 54.639 54.000 0.020 0.000 0.839 211 D CB -0.195 40.615 40.800 0.016 0.000 0.948 211 D HN 0.266 nan 8.370 nan 0.000 0.460 212 N N 2.651 121.368 118.700 0.029 0.000 2.374 212 N HA -0.000 4.740 4.740 0.001 0.000 0.269 212 N C -2.246 173.288 175.510 0.039 0.000 1.310 212 N CA -0.077 52.994 53.050 0.035 0.000 0.877 212 N CB 0.755 39.270 38.487 0.048 0.000 1.096 212 N HN 0.206 nan 8.380 nan 0.000 0.484 213 P HA 0.130 nan 4.420 nan 0.000 0.281 213 P C -0.215 177.115 177.300 0.050 0.000 1.249 213 P CA -0.693 62.433 63.100 0.043 0.000 0.810 213 P CB 1.080 32.803 31.700 0.039 0.000 1.008 214 L N 2.352 123.612 121.223 0.061 0.000 2.399 214 L HA 0.547 4.888 4.340 0.001 0.000 0.266 214 L C 0.097 176.992 176.870 0.041 0.000 1.114 214 L CA -0.250 54.629 54.840 0.065 0.000 0.804 214 L CB 0.509 42.613 42.059 0.075 0.000 1.146 214 L HN 0.409 nan 8.230 nan 0.000 0.451 215 R N 3.320 123.839 120.500 0.032 0.000 2.473 215 R HA 0.683 5.024 4.340 0.001 0.000 0.303 215 R C -2.170 174.102 176.300 -0.048 0.000 1.002 215 R CA -0.518 55.555 56.100 -0.045 0.000 0.884 215 R CB 1.102 31.350 30.300 -0.087 0.000 1.173 215 R HN 0.468 nan 8.270 nan 0.000 0.464 216 V N 4.530 124.250 119.914 -0.324 0.000 2.547 216 V HA 0.495 4.616 4.120 0.001 0.000 0.299 216 V C -0.271 175.606 176.094 -0.362 0.000 1.040 216 V CA -0.632 61.430 62.300 -0.397 0.000 0.913 216 V CB 1.792 33.192 31.823 -0.705 0.000 0.992 216 V HN 0.757 nan 8.190 nan 0.000 0.449 217 Q N 3.398 123.150 119.800 -0.079 0.000 2.303 217 Q HA 0.524 4.864 4.340 0.001 0.000 0.267 217 Q C -1.637 174.489 176.000 0.211 0.000 1.011 217 Q CA -0.587 55.266 55.803 0.083 0.000 0.740 217 Q CB 2.283 31.132 28.738 0.184 0.000 1.250 217 Q HN 0.596 nan 8.270 nan 0.000 0.458 218 I N 2.011 122.691 120.570 0.183 0.000 2.315 218 I HA 0.361 4.531 4.170 0.001 0.000 0.291 218 I C 0.906 177.169 176.117 0.243 0.000 1.006 218 I CA 0.072 61.456 61.300 0.141 0.000 1.265 218 I CB 1.254 39.309 38.000 0.092 0.000 1.387 218 I HN 0.629 nan 8.210 nan 0.000 0.475 219 G N 2.949 111.790 108.800 0.068 0.000 2.714 219 G HA2 0.348 4.308 3.960 0.001 0.000 0.197 219 G HA3 0.348 4.308 3.960 0.001 0.000 0.197 219 G C 0.784 175.694 174.900 0.017 0.000 1.449 219 G CA 0.399 45.562 45.100 0.106 0.000 1.065 219 G HN 0.565 nan 8.290 nan 0.000 0.575 220 S N -1.803 113.870 115.700 -0.044 0.000 2.497 220 S HA 0.119 4.590 4.470 0.001 0.000 0.221 220 S C 1.131 175.677 174.600 -0.091 0.000 1.037 220 S CA 0.400 58.595 58.200 -0.008 0.000 0.920 220 S CB 0.222 63.434 63.200 0.020 0.000 0.800 220 S HN 0.388 nan 8.310 nan 0.000 0.505 221 N N 1.395 119.961 118.700 -0.223 0.000 2.143 221 N HA 0.337 5.077 4.740 0.001 0.000 0.229 221 N C -0.968 174.317 175.510 -0.374 0.000 1.294 221 N CA -0.084 52.826 53.050 -0.233 0.000 0.883 221 N CB 0.662 39.041 38.487 -0.180 0.000 1.148 221 N HN 0.398 nan 8.380 nan 0.000 0.511 222 N N 0.496 118.837 118.700 -0.598 0.000 2.732 222 N HA 0.438 5.178 4.740 0.001 0.000 0.259 222 N C -1.436 173.655 175.510 -0.699 0.000 1.402 222 N CA -0.411 52.196 53.050 -0.739 0.000 0.829 222 N CB 2.831 40.599 38.487 -1.198 0.000 1.495 222 N HN -0.078 nan 8.380 nan 0.000 0.511 223 I N 0.267 120.554 120.570 -0.471 0.000 2.686 223 I HA 0.489 4.659 4.170 0.001 0.000 0.295 223 I C -1.258 174.799 176.117 -0.100 0.000 1.114 223 I CA -0.665 60.488 61.300 -0.245 0.000 1.038 223 I CB 2.424 40.282 38.000 -0.236 0.000 1.238 223 I HN 0.510 nan 8.210 nan 0.000 0.420 224 R N 5.594 126.161 120.500 0.112 0.000 2.686 224 R HA 0.875 5.216 4.340 0.001 0.000 0.283 224 R C -1.925 174.400 176.300 0.042 0.000 0.978 224 R CA -0.498 55.659 56.100 0.096 0.000 0.897 224 R CB 2.108 32.559 30.300 0.252 0.000 1.192 224 R HN 0.692 nan 8.270 nan 0.000 0.457 225 A N 3.874 126.695 122.820 0.001 0.000 2.353 225 A HA 0.428 4.748 4.320 0.001 0.000 0.299 225 A C -1.475 176.104 177.584 -0.008 0.000 1.089 225 A CA -0.731 51.343 52.037 0.062 0.000 0.736 225 A CB 0.898 19.972 19.000 0.123 0.000 1.195 225 A HN 0.863 nan 8.150 nan 0.000 0.447 226 H N 1.983 121.080 119.070 0.045 0.000 2.541 226 H HA 0.457 5.013 4.556 0.001 0.000 0.316 226 H C -1.066 174.298 175.328 0.061 0.000 1.043 226 H CA -0.540 55.540 56.048 0.053 0.000 1.232 226 H CB 1.628 31.395 29.762 0.008 0.000 1.406 226 H HN 0.303 nan 8.280 nan 0.000 0.469 227 V N 3.535 123.568 119.914 0.200 0.000 2.340 227 V HA 0.321 4.441 4.120 0.001 0.000 0.277 227 V C 0.992 177.201 176.094 0.191 0.000 1.017 227 V CA 0.021 62.416 62.300 0.158 0.000 0.820 227 V CB 0.650 32.543 31.823 0.118 0.000 1.028 227 V HN 1.225 nan 8.190 nan 0.000 0.436 228 G N 4.353 113.235 108.800 0.137 0.000 2.561 228 G HA2 -0.272 3.688 3.960 0.001 0.000 0.289 228 G HA3 -0.272 3.688 3.960 0.001 0.000 0.289 228 G C 0.371 175.327 174.900 0.094 0.000 1.169 228 G CA 0.584 45.754 45.100 0.116 0.000 0.980 228 G HN 0.575 nan 8.290 nan 0.000 0.550 229 D N 1.047 121.483 120.400 0.061 0.000 2.325 229 D HA 0.343 4.984 4.640 0.001 0.000 0.234 229 D C 0.163 176.216 176.300 -0.412 0.000 1.122 229 D CA 0.595 54.488 54.000 -0.177 0.000 0.850 229 D CB -0.036 40.581 40.800 -0.304 0.000 0.921 229 D HN 0.144 nan 8.370 nan 0.000 0.513 230 F N 0.054 120.015 119.950 0.018 0.000 2.561 230 F HA 0.520 5.047 4.527 0.001 0.000 0.321 230 F C 0.177 175.986 175.800 0.014 0.000 1.065 230 F CA -1.024 56.987 58.000 0.019 0.000 0.934 230 F CB 1.776 40.790 39.000 0.024 0.000 1.215 230 F HN -0.333 nan 8.300 nan 0.000 0.471 231 I N 2.596 123.268 120.570 0.171 0.000 2.529 231 I HA 0.227 4.398 4.170 0.001 0.000 0.284 231 I C -1.460 174.709 176.117 0.085 0.000 1.088 231 I CA -0.461 60.845 61.300 0.010 0.000 1.062 231 I CB 1.768 39.685 38.000 -0.139 0.000 1.218 231 I HN 0.375 nan 8.210 nan 0.000 0.442 232 F N 5.632 125.550 119.950 -0.054 0.000 2.420 232 F HA 0.700 5.227 4.527 0.001 0.000 0.342 232 F C -0.188 175.589 175.800 -0.038 0.000 1.113 232 F CA 0.024 58.008 58.000 -0.027 0.000 1.059 232 F CB 1.487 40.471 39.000 -0.027 0.000 1.128 232 F HN 0.305 nan 8.300 nan 0.000 0.475 233 T N 4.543 118.538 114.554 -0.931 0.000 2.886 233 T HA 0.533 4.883 4.350 0.001 0.000 0.292 233 T C -1.282 172.842 174.700 -0.959 0.000 1.012 233 T CA -0.642 61.047 62.100 -0.686 0.000 0.982 233 T CB 1.525 70.259 68.868 -0.224 0.000 1.018 233 T HN 0.643 nan 8.240 nan 0.000 0.451 234 S N 1.964 117.262 115.700 -0.670 0.000 2.588 234 S HA 0.606 5.076 4.470 0.001 0.000 0.275 234 S C -1.110 173.311 174.600 -0.298 0.000 1.130 234 S CA -0.867 57.075 58.200 -0.430 0.000 0.855 234 S CB 1.178 64.242 63.200 -0.228 0.000 1.116 234 S HN 0.566 nan 8.310 nan 0.000 0.472 235 K N 1.887 122.161 120.400 -0.209 0.000 2.154 235 K HA 0.504 4.825 4.320 0.001 0.000 0.264 235 K C -0.650 175.866 176.600 -0.139 0.000 1.008 235 K CA -0.451 55.722 56.287 -0.191 0.000 0.937 235 K CB 0.637 33.055 32.500 -0.136 0.000 1.002 235 K HN 0.508 nan 8.250 nan 0.000 0.469 236 L N 1.620 122.763 121.223 -0.133 0.000 2.360 236 L HA 0.325 4.666 4.340 0.001 0.000 0.271 236 L C -0.080 176.784 176.870 -0.010 0.000 1.057 236 L CA -1.186 53.608 54.840 -0.077 0.000 0.803 236 L CB 1.444 43.446 42.059 -0.095 0.000 1.207 236 L HN 0.269 nan 8.230 nan 0.000 0.445 237 V N 0.601 120.547 119.914 0.053 0.000 2.686 237 V HA -0.001 4.120 4.120 0.001 0.000 0.295 237 V C 0.145 176.336 176.094 0.162 0.000 1.055 237 V CA -0.087 62.297 62.300 0.140 0.000 1.050 237 V CB 1.187 33.147 31.823 0.229 0.000 0.984 237 V HN 0.663 nan 8.190 nan 0.000 0.482 238 D N 3.366 123.884 120.400 0.197 0.000 2.500 238 D HA 0.521 5.161 4.640 0.001 0.000 0.219 238 D C 0.124 176.629 176.300 0.342 0.000 1.137 238 D CA 0.374 54.483 54.000 0.182 0.000 0.946 238 D CB 0.827 41.678 40.800 0.086 0.000 1.022 238 D HN 0.773 nan 8.370 nan 0.000 0.518 239 G N 1.675 110.642 108.800 0.278 0.000 2.600 239 G HA2 0.380 4.341 3.960 0.001 0.000 0.293 239 G HA3 0.380 4.341 3.960 0.001 0.000 0.293 239 G C -1.022 173.895 174.900 0.028 0.000 1.408 239 G CA -0.854 44.362 45.100 0.194 0.000 0.782 239 G HN 0.214 nan 8.290 nan 0.000 0.482 240 R N 0.051 120.438 120.500 -0.189 0.000 2.229 240 R HA 0.326 4.667 4.340 0.001 0.000 0.332 240 R C -1.130 175.024 176.300 -0.243 0.000 0.989 240 R CA -0.545 55.455 56.100 -0.167 0.000 0.842 240 R CB 1.692 31.876 30.300 -0.194 0.000 1.119 240 R HN 0.378 nan 8.270 nan 0.000 0.456 241 F N 5.767 125.637 119.950 -0.134 0.000 2.495 241 F HA 0.189 4.717 4.527 0.001 0.000 0.365 241 F C -1.253 174.511 175.800 -0.060 0.000 1.090 241 F CA -1.714 56.262 58.000 -0.040 0.000 1.235 241 F CB 0.521 39.544 39.000 0.037 0.000 1.119 241 F HN 0.412 nan 8.300 nan 0.000 0.562 242 P HA -0.061 nan 4.420 nan 0.000 0.269 242 P C -0.968 176.297 177.300 -0.058 0.000 1.217 242 P CA -0.166 62.783 63.100 -0.252 0.000 0.783 242 P CB 0.550 32.058 31.700 -0.320 0.000 0.898 243 D N 1.101 121.480 120.400 -0.036 0.000 2.352 243 D HA -0.015 4.626 4.640 0.001 0.000 0.245 243 D C 1.084 177.377 176.300 -0.011 0.000 1.224 243 D CA -0.274 53.720 54.000 -0.009 0.000 0.879 243 D CB 0.003 40.762 40.800 -0.068 0.000 1.057 243 D HN 0.346 nan 8.370 nan 0.000 0.491 244 Y N 3.792 124.113 120.300 0.035 0.000 2.497 244 Y HA -0.021 4.530 4.550 0.001 0.000 0.292 244 Y C 1.496 177.394 175.900 -0.005 0.000 1.137 244 Y CA 0.880 58.990 58.100 0.018 0.000 1.285 244 Y CB -0.118 38.378 38.460 0.060 0.000 0.991 244 Y HN 0.232 nan 8.280 nan 0.000 0.556 245 R N 0.426 120.560 120.500 -0.610 0.000 2.240 245 R HA 0.124 4.465 4.340 0.001 0.000 0.203 245 R C 1.836 178.021 176.300 -0.192 0.000 1.011 245 R CA 0.753 56.562 56.100 -0.486 0.000 1.007 245 R CB -0.119 29.853 30.300 -0.547 0.000 0.911 245 R HN 0.356 nan 8.270 nan 0.000 0.468 246 R N 0.549 120.967 120.500 -0.136 0.000 2.297 246 R HA 0.028 4.368 4.340 0.001 0.000 0.197 246 R C 1.343 177.620 176.300 -0.039 0.000 0.943 246 R CA 0.678 56.733 56.100 -0.076 0.000 1.038 246 R CB 0.529 30.787 30.300 -0.070 0.000 0.957 246 R HN 0.143 nan 8.270 nan 0.000 0.484 247 V N -1.865 118.036 119.914 -0.020 0.000 3.578 247 V HA 0.262 4.383 4.120 0.001 0.000 0.290 247 V C 0.587 176.697 176.094 0.028 0.000 1.376 247 V CA -0.183 62.121 62.300 0.007 0.000 1.083 247 V CB -0.186 31.645 31.823 0.013 0.000 0.911 247 V HN 0.006 nan 8.190 nan 0.000 0.433 248 L N 3.759 124.997 121.223 0.025 0.000 2.360 248 L HA 0.377 4.718 4.340 0.001 0.000 0.276 248 L C -1.848 175.038 176.870 0.026 0.000 1.121 248 L CA -1.602 53.261 54.840 0.038 0.000 0.845 248 L CB 0.496 42.578 42.059 0.038 0.000 1.143 248 L HN 0.097 nan 8.230 nan 0.000 0.452 249 P HA -0.094 nan 4.420 nan 0.000 0.260 249 P C -0.650 176.665 177.300 0.026 0.000 1.172 249 P CA 0.228 63.349 63.100 0.034 0.000 0.760 249 P CB 0.485 32.211 31.700 0.043 0.000 0.773 250 K N 4.221 124.636 120.400 0.024 0.000 2.312 250 K HA 0.049 4.370 4.320 0.001 0.000 0.287 250 K C 0.201 176.820 176.600 0.033 0.000 1.062 250 K CA -0.335 55.964 56.287 0.021 0.000 0.934 250 K CB -0.203 32.304 32.500 0.012 0.000 1.027 250 K HN 0.330 nan 8.250 nan 0.000 0.478 251 N N 2.654 121.376 118.700 0.037 0.000 2.686 251 N HA -0.137 4.603 4.740 0.001 0.000 0.261 251 N C -2.584 172.975 175.510 0.083 0.000 1.001 251 N CA 0.399 53.481 53.050 0.053 0.000 0.764 251 N CB -1.294 37.215 38.487 0.037 0.000 0.898 251 N HN 0.567 nan 8.380 nan 0.000 0.544 252 P HA 0.014 nan 4.420 nan 0.000 0.266 252 P C 0.807 178.270 177.300 0.272 0.000 1.195 252 P CA 0.132 63.321 63.100 0.148 0.000 0.768 252 P CB 0.517 32.252 31.700 0.058 0.000 0.838 253 D N 0.741 121.265 120.400 0.207 0.000 2.479 253 D HA 0.019 4.660 4.640 0.001 0.000 0.221 253 D C -0.202 176.172 176.300 0.122 0.000 1.104 253 D CA 0.420 54.488 54.000 0.113 0.000 0.849 253 D CB 0.123 40.949 40.800 0.044 0.000 1.072 253 D HN 0.264 nan 8.370 nan 0.000 0.502 254 K N 0.749 121.313 120.400 0.273 0.000 2.263 254 K HA 0.361 4.681 4.320 0.001 0.000 0.272 254 K C -0.796 176.101 176.600 0.495 0.000 1.033 254 K CA -0.366 56.087 56.287 0.277 0.000 0.884 254 K CB 1.310 33.994 32.500 0.307 0.000 1.107 254 K HN 0.185 nan 8.250 nan 0.000 0.460 255 H N 3.712 122.821 119.070 0.064 0.000 2.727 255 H HA 0.213 4.769 4.556 0.001 0.000 0.330 255 H C -0.792 174.675 175.328 0.232 0.000 0.986 255 H CA -1.321 54.802 56.048 0.124 0.000 1.251 255 H CB 1.255 31.041 29.762 0.040 0.000 1.493 255 H HN 0.299 nan 8.280 nan 0.000 0.515 256 L N 0.543 122.010 121.223 0.407 0.000 2.322 256 L HA 0.650 4.991 4.340 0.001 0.000 0.269 256 L C -0.318 176.663 176.870 0.184 0.000 1.012 256 L CA -0.965 54.094 54.840 0.364 0.000 0.815 256 L CB 1.933 44.166 42.059 0.290 0.000 1.295 256 L HN 0.675 nan 8.230 nan 0.000 0.438 257 E N 1.123 121.412 120.200 0.147 0.000 2.278 257 E HA 0.810 5.160 4.350 0.001 0.000 0.272 257 E C -1.683 174.962 176.600 0.074 0.000 0.890 257 E CA -0.613 55.843 56.400 0.093 0.000 0.770 257 E CB 1.868 31.619 29.700 0.085 0.000 1.212 257 E HN 1.177 nan 8.360 nan 0.000 0.415 258 A N 2.633 125.484 122.820 0.052 0.000 2.504 258 A HA 0.847 5.167 4.320 0.001 0.000 0.285 258 A C -0.236 177.365 177.584 0.028 0.000 1.261 258 A CA -0.372 51.691 52.037 0.043 0.000 0.741 258 A CB 1.308 20.336 19.000 0.047 0.000 1.327 258 A HN 0.598 nan 8.150 nan 0.000 0.441 259 G N -0.848 107.967 108.800 0.024 0.000 2.349 259 G HA2 0.388 4.348 3.960 0.001 0.000 0.281 259 G HA3 0.388 4.348 3.960 0.001 0.000 0.281 259 G C 0.937 175.840 174.900 0.005 0.000 1.182 259 G CA 0.429 45.537 45.100 0.014 0.000 0.899 259 G HN 1.292 nan 8.290 nan 0.000 0.455 260 C N 2.817 122.111 119.300 -0.010 0.000 2.359 260 C HA -0.213 4.247 4.460 0.001 0.000 0.277 260 C C 2.674 177.647 174.990 -0.029 0.000 1.192 260 C CA 2.222 61.221 59.018 -0.032 0.000 1.759 260 C CB -0.979 26.736 27.740 -0.041 0.000 2.038 260 C HN 0.883 nan 8.230 nan 0.000 0.448 261 D N 0.835 121.222 120.400 -0.022 0.000 2.191 261 D HA -0.248 4.392 4.640 0.001 0.000 0.195 261 D C 1.886 178.186 176.300 -0.000 0.000 1.003 261 D CA 1.733 55.723 54.000 -0.017 0.000 0.867 261 D CB -0.592 40.201 40.800 -0.012 0.000 0.926 261 D HN 0.499 nan 8.370 nan 0.000 0.450 262 L N -0.250 120.979 121.223 0.010 0.000 2.072 262 L HA 0.069 4.410 4.340 0.001 0.000 0.205 262 L C 2.152 179.054 176.870 0.053 0.000 1.079 262 L CA 1.186 56.041 54.840 0.025 0.000 0.752 262 L CB -0.311 41.763 42.059 0.024 0.000 0.906 262 L HN 0.137 nan 8.230 nan 0.000 0.436 263 L N -0.704 120.555 121.223 0.060 0.000 2.042 263 L HA -0.268 4.073 4.340 0.001 0.000 0.210 263 L C 2.575 179.551 176.870 0.177 0.000 1.076 263 L CA 1.494 56.413 54.840 0.131 0.000 0.749 263 L CB -0.395 41.698 42.059 0.058 0.000 0.893 263 L HN 0.291 nan 8.230 nan 0.000 0.432 264 K N -0.495 119.934 120.400 0.048 0.000 1.985 264 K HA -0.233 4.088 4.320 0.001 0.000 0.210 264 K C 2.060 178.711 176.600 0.085 0.000 1.047 264 K CA 1.568 57.868 56.287 0.023 0.000 0.932 264 K CB -0.272 32.206 32.500 -0.036 0.000 0.716 264 K HN 0.360 nan 8.250 nan 0.000 0.439 265 Q N 0.287 120.118 119.800 0.053 0.000 2.096 265 Q HA -0.222 4.118 4.340 0.001 0.000 0.208 265 Q C 2.225 178.259 176.000 0.056 0.000 0.993 265 Q CA 1.808 57.636 55.803 0.041 0.000 0.862 265 Q CB -0.328 28.423 28.738 0.022 0.000 0.915 265 Q HN 0.392 nan 8.270 nan 0.000 0.416 266 A N 0.274 123.138 122.820 0.075 0.000 1.877 266 A HA -0.174 4.147 4.320 0.001 0.000 0.216 266 A C 1.788 179.371 177.584 -0.001 0.000 1.186 266 A CA 1.287 53.338 52.037 0.023 0.000 0.620 266 A CB -0.780 18.222 19.000 0.003 0.000 0.822 266 A HN 0.325 nan 8.150 nan 0.000 0.443 267 F N 0.154 120.083 119.950 -0.035 0.000 2.234 267 F HA -0.048 4.479 4.527 0.000 0.000 0.299 267 F C 2.737 178.516 175.800 -0.037 0.000 1.087 267 F CA 0.855 58.833 58.000 -0.036 0.000 1.340 267 F CB -0.388 38.583 39.000 -0.049 0.000 1.031 267 F HN 0.261 nan 8.300 nan 0.000 0.500 268 A N 0.849 123.753 122.820 0.141 0.000 1.933 268 A HA -0.206 4.115 4.320 0.001 0.000 0.218 268 A C 2.127 179.725 177.584 0.023 0.000 1.175 268 A CA 1.813 53.888 52.037 0.062 0.000 0.628 268 A CB -0.683 18.339 19.000 0.037 0.000 0.814 268 A HN 0.510 nan 8.150 nan 0.000 0.444 269 R N -1.182 119.321 120.500 0.006 0.000 2.334 269 R HA 0.514 4.854 4.340 0.001 0.000 0.216 269 R C 1.469 177.745 176.300 -0.041 0.000 0.905 269 R CA 0.805 56.895 56.100 -0.017 0.000 1.064 269 R CB -0.122 30.166 30.300 -0.020 0.000 1.046 269 R HN 0.267 nan 8.270 nan 0.000 0.508 270 A N 1.085 123.872 122.820 -0.055 0.000 2.044 270 A HA 0.342 4.662 4.320 0.001 0.000 0.213 270 A C 2.221 179.769 177.584 -0.061 0.000 1.169 270 A CA 0.668 52.649 52.037 -0.094 0.000 0.724 270 A CB -0.060 18.826 19.000 -0.189 0.000 0.840 270 A HN 0.399 nan 8.150 nan 0.000 0.463 271 A N 0.249 123.055 122.820 -0.023 0.000 1.855 271 A HA 0.288 4.609 4.320 0.001 0.000 0.213 271 A C 2.474 180.043 177.584 -0.025 0.000 1.195 271 A CA 1.681 53.710 52.037 -0.013 0.000 0.610 271 A CB -1.134 17.877 19.000 0.017 0.000 0.837 271 A HN 0.995 nan 8.150 nan 0.000 0.444 272 A N -0.062 122.746 122.820 -0.019 0.000 1.948 272 A HA 0.080 4.400 4.320 0.001 0.000 0.220 272 A C 2.396 179.962 177.584 -0.031 0.000 1.177 272 A CA 2.257 54.281 52.037 -0.021 0.000 0.636 272 A CB -0.900 18.090 19.000 -0.017 0.000 0.815 272 A HN 1.109 nan 8.150 nan 0.000 0.449 273 A N -1.112 121.684 122.820 -0.039 0.000 2.066 273 A HA 0.205 4.526 4.320 0.001 0.000 0.218 273 A C 1.565 179.115 177.584 -0.056 0.000 1.157 273 A CA 0.966 52.976 52.037 -0.046 0.000 0.670 273 A CB -0.464 18.505 19.000 -0.052 0.000 0.804 273 A HN 0.424 nan 8.150 nan 0.000 0.453 274 S N 0.618 116.279 115.700 -0.065 0.000 2.481 274 S HA 0.189 4.659 4.470 0.001 0.000 0.276 274 S C 1.070 175.620 174.600 -0.083 0.000 1.247 274 S CA -0.126 58.021 58.200 -0.089 0.000 1.053 274 S CB 0.041 63.176 63.200 -0.108 0.000 0.925 274 S HN 0.628 nan 8.310 nan 0.000 0.491 275 N N 4.132 122.780 118.700 -0.087 0.000 2.376 275 N HA -0.018 4.723 4.740 0.001 0.000 0.177 275 N C -0.259 175.199 175.510 -0.087 0.000 1.024 275 N CA 0.518 53.528 53.050 -0.065 0.000 0.893 275 N CB 0.004 38.462 38.487 -0.048 0.000 0.980 275 N HN 0.600 nan 8.380 nan 0.000 0.439 276 E N 0.805 120.896 120.200 -0.181 0.000 2.042 276 E HA 0.151 4.502 4.350 0.001 0.000 0.260 276 E C -0.307 176.045 176.600 -0.412 0.000 0.975 276 E CA -0.215 55.970 56.400 -0.358 0.000 0.799 276 E CB 0.841 30.139 29.700 -0.670 0.000 1.131 276 E HN 0.418 nan 8.360 nan 0.000 0.423 277 K N 1.113 121.399 120.400 -0.191 0.000 2.525 277 K HA -0.026 4.294 4.320 0.001 0.000 0.192 277 K C 1.306 177.851 176.600 -0.092 0.000 1.029 277 K CA 0.578 56.792 56.287 -0.121 0.000 1.029 277 K CB -0.171 32.312 32.500 -0.029 0.000 0.814 277 K HN 0.384 nan 8.250 nan 0.000 0.503 278 F N -0.661 119.268 119.950 -0.035 0.000 2.698 278 F HA 0.254 4.782 4.527 0.001 0.000 0.295 278 F C 1.742 177.512 175.800 -0.048 0.000 1.124 278 F CA -0.281 57.691 58.000 -0.048 0.000 1.426 278 F CB -0.066 38.910 39.000 -0.040 0.000 1.120 278 F HN -0.233 nan 8.300 nan 0.000 0.583 279 R N 1.619 121.697 120.500 -0.703 0.000 2.115 279 R HA 0.156 4.497 4.340 0.001 0.000 0.230 279 R C 1.473 177.672 176.300 -0.168 0.000 1.111 279 R CA 0.899 56.730 56.100 -0.448 0.000 0.976 279 R CB -1.158 28.803 30.300 -0.566 0.000 0.870 279 R HN 0.628 nan 8.270 nan 0.000 0.445 280 G N -0.314 108.401 108.800 -0.143 0.000 2.642 280 G HA2 -0.291 3.670 3.960 0.001 0.000 0.231 280 G HA3 -0.291 3.670 3.960 0.001 0.000 0.231 280 G C -0.519 174.356 174.900 -0.040 0.000 1.338 280 G CA -0.252 44.816 45.100 -0.053 0.000 0.883 280 G HN 0.181 nan 8.290 nan 0.000 0.570 281 V N 0.929 120.861 119.914 0.029 0.000 2.994 281 V HA 0.842 4.962 4.120 0.001 0.000 0.318 281 V C 0.599 176.710 176.094 0.028 0.000 1.085 281 V CA -0.315 61.986 62.300 0.002 0.000 0.998 281 V CB 1.878 33.688 31.823 -0.022 0.000 1.063 281 V HN 0.973 nan 8.190 nan 0.000 0.447 282 R N 3.139 123.630 120.500 -0.015 0.000 2.483 282 R HA 0.617 4.958 4.340 0.001 0.000 0.303 282 R C -1.844 174.466 176.300 0.017 0.000 0.987 282 R CA -0.521 55.584 56.100 0.008 0.000 0.881 282 R CB 1.117 31.411 30.300 -0.010 0.000 1.177 282 R HN 0.673 nan 8.270 nan 0.000 0.451 283 L N 3.784 125.051 121.223 0.074 0.000 2.334 283 L HA 0.541 4.881 4.340 0.001 0.000 0.272 283 L C -0.982 175.939 176.870 0.086 0.000 1.020 283 L CA -1.190 53.692 54.840 0.070 0.000 0.812 283 L CB 1.531 43.672 42.059 0.137 0.000 1.264 283 L HN 0.600 nan 8.230 nan 0.000 0.439 284 Y N 1.837 122.109 120.300 -0.046 0.000 2.354 284 Y HA 0.523 5.073 4.550 0.001 0.000 0.330 284 Y C -0.663 175.173 175.900 -0.106 0.000 1.011 284 Y CA -1.004 57.062 58.100 -0.057 0.000 1.099 284 Y CB 1.712 40.146 38.460 -0.043 0.000 1.179 284 Y HN 0.260 nan 8.280 nan 0.000 0.442 285 V N 3.086 122.557 119.914 -0.739 0.000 2.435 285 V HA 0.955 5.076 4.120 0.001 0.000 0.290 285 V C -0.637 175.145 176.094 -0.519 0.000 1.030 285 V CA -0.244 61.643 62.300 -0.688 0.000 0.881 285 V CB 0.966 32.105 31.823 -1.140 0.000 0.983 285 V HN 0.817 nan 8.190 nan 0.000 0.445 286 S N 1.644 117.292 115.700 -0.086 0.000 2.556 286 S HA 0.519 4.989 4.470 0.001 0.000 0.271 286 S C -0.483 174.321 174.600 0.340 0.000 1.135 286 S CA -0.765 57.565 58.200 0.217 0.000 0.858 286 S CB 1.449 64.840 63.200 0.319 0.000 1.114 286 S HN 1.185 nan 8.310 nan 0.000 0.468 287 E N 1.822 122.199 120.200 0.294 0.000 3.434 287 E HA -0.226 4.124 4.350 0.001 0.000 0.248 287 E C 0.131 176.847 176.600 0.193 0.000 0.895 287 E CA 0.779 57.304 56.400 0.208 0.000 0.953 287 E CB -0.427 29.335 29.700 0.102 0.000 0.893 287 E HN 0.650 nan 8.360 nan 0.000 0.570 288 N N 2.696 121.527 118.700 0.218 0.000 2.708 288 N HA -0.261 4.480 4.740 0.001 0.000 0.249 288 N C -0.910 174.681 175.510 0.135 0.000 1.097 288 N CA 1.437 54.584 53.050 0.163 0.000 0.710 288 N CB -0.407 38.138 38.487 0.096 0.000 1.032 288 N HN 0.730 nan 8.380 nan 0.000 0.551 289 Q N 0.127 120.014 119.800 0.146 0.000 2.377 289 Q HA 0.559 4.900 4.340 0.001 0.000 0.279 289 Q C -1.939 174.081 176.000 0.035 0.000 1.049 289 Q CA -0.724 55.132 55.803 0.088 0.000 0.825 289 Q CB 1.794 30.591 28.738 0.099 0.000 1.401 289 Q HN 0.197 nan 8.270 nan 0.000 0.404 290 L N 2.713 123.951 121.223 0.024 0.000 2.446 290 L HA 0.503 4.844 4.340 0.001 0.000 0.268 290 L C -1.731 175.152 176.870 0.021 0.000 0.975 290 L CA -0.106 54.731 54.840 -0.006 0.000 0.848 290 L CB 1.549 43.593 42.059 -0.024 0.000 1.225 290 L HN 0.484 nan 8.230 nan 0.000 0.410 291 K N 6.628 127.068 120.400 0.066 0.000 2.264 291 K HA 0.475 4.795 4.320 0.001 0.000 0.277 291 K C -0.654 175.949 176.600 0.005 0.000 1.067 291 K CA -0.342 55.969 56.287 0.041 0.000 0.900 291 K CB 1.786 34.324 32.500 0.064 0.000 1.124 291 K HN 0.634 nan 8.250 nan 0.000 0.469 292 I N 1.423 121.952 120.570 -0.068 0.000 2.525 292 I HA 0.391 4.561 4.170 0.001 0.000 0.301 292 I C -1.038 174.998 176.117 -0.135 0.000 0.992 292 I CA -0.107 61.105 61.300 -0.147 0.000 1.162 292 I CB 1.687 39.495 38.000 -0.319 0.000 1.332 292 I HN 0.501 nan 8.210 nan 0.000 0.458 293 T N 5.875 120.347 114.554 -0.138 0.000 3.193 293 T HA 0.472 4.823 4.350 0.001 0.000 0.332 293 T C -0.662 173.972 174.700 -0.111 0.000 1.208 293 T CA -0.440 61.594 62.100 -0.110 0.000 1.080 293 T CB 1.429 70.254 68.868 -0.072 0.000 1.180 293 T HN 0.776 nan 8.240 nan 0.000 0.469 294 A N 3.220 125.974 122.820 -0.110 0.000 2.488 294 A HA 0.548 4.868 4.320 0.001 0.000 0.249 294 A C 0.392 177.920 177.584 -0.093 0.000 1.083 294 A CA -0.452 51.524 52.037 -0.103 0.000 0.768 294 A CB -0.433 18.508 19.000 -0.098 0.000 1.017 294 A HN 0.893 nan 8.150 nan 0.000 0.496 295 N N 2.034 120.677 118.700 -0.095 0.000 2.424 295 N HA 0.371 5.111 4.740 0.001 0.000 0.271 295 N C -1.409 174.032 175.510 -0.114 0.000 0.985 295 N CA -0.623 52.375 53.050 -0.088 0.000 0.921 295 N CB 1.071 39.520 38.487 -0.064 0.000 1.149 295 N HN 0.376 nan 8.380 nan 0.000 0.492 296 N N 3.613 122.256 118.700 -0.096 0.000 2.623 296 N HA 0.229 4.969 4.740 0.001 0.000 0.256 296 N C -2.155 173.320 175.510 -0.058 0.000 1.045 296 N CA -1.205 51.786 53.050 -0.097 0.000 0.863 296 N CB 1.879 40.310 38.487 -0.093 0.000 1.182 296 N HN 0.431 nan 8.380 nan 0.000 0.523 297 P HA -0.183 nan 4.420 nan 0.000 0.218 297 P C 0.621 177.910 177.300 -0.017 0.000 1.154 297 P CA 1.576 64.663 63.100 -0.022 0.000 0.872 297 P CB 0.468 32.165 31.700 -0.006 0.000 0.790 298 E N -1.462 118.729 120.200 -0.015 0.000 2.479 298 E HA 0.022 4.373 4.350 0.001 0.000 0.193 298 E C 0.470 177.060 176.600 -0.017 0.000 1.049 298 E CA 0.192 56.585 56.400 -0.011 0.000 0.870 298 E CB 0.076 29.774 29.700 -0.003 0.000 0.944 298 E HN 0.509 nan 8.360 nan 0.000 0.492 299 Q N 0.853 120.638 119.800 -0.025 0.000 2.345 299 Q HA 0.310 4.651 4.340 0.001 0.000 0.268 299 Q C -0.557 175.424 176.000 -0.031 0.000 1.054 299 Q CA -0.502 55.285 55.803 -0.027 0.000 0.835 299 Q CB 2.097 30.817 28.738 -0.031 0.000 1.339 299 Q HN 0.042 nan 8.270 nan 0.000 0.447 300 E N 1.322 121.505 120.200 -0.029 0.000 2.374 300 E HA 0.191 4.542 4.350 0.001 0.000 0.260 300 E C -0.698 175.880 176.600 -0.036 0.000 1.101 300 E CA 0.035 56.416 56.400 -0.032 0.000 0.907 300 E CB 0.835 30.518 29.700 -0.028 0.000 1.014 300 E HN 0.408 nan 8.360 nan 0.000 0.427 301 E N -0.442 119.734 120.200 -0.041 0.000 2.429 301 E HA 0.527 4.877 4.350 0.001 0.000 0.276 301 E C -1.508 175.065 176.600 -0.045 0.000 0.953 301 E CA -0.925 55.448 56.400 -0.045 0.000 0.787 301 E CB 1.861 31.529 29.700 -0.052 0.000 1.307 301 E HN 0.503 nan 8.360 nan 0.000 0.458 302 A N 1.702 124.494 122.820 -0.046 0.000 2.289 302 A HA 0.411 4.731 4.320 0.001 0.000 0.298 302 A C -0.446 177.107 177.584 -0.052 0.000 1.208 302 A CA -0.450 51.560 52.037 -0.045 0.000 0.845 302 A CB 0.211 19.187 19.000 -0.040 0.000 1.125 302 A HN 0.561 nan 8.150 nan 0.000 0.517 303 E N 1.894 122.063 120.200 -0.052 0.000 2.221 303 E HA 0.570 4.921 4.350 0.001 0.000 0.268 303 E C -0.731 175.838 176.600 -0.052 0.000 0.933 303 E CA -0.800 55.565 56.400 -0.057 0.000 0.809 303 E CB 1.749 31.416 29.700 -0.057 0.000 1.190 303 E HN 0.642 nan 8.360 nan 0.000 0.406 304 E N 2.410 122.575 120.200 -0.059 0.000 2.171 304 E HA 0.378 4.728 4.350 0.001 0.000 0.271 304 E C -1.333 175.243 176.600 -0.041 0.000 0.916 304 E CA -0.818 55.553 56.400 -0.049 0.000 0.774 304 E CB 1.040 30.706 29.700 -0.056 0.000 1.128 304 E HN 0.457 nan 8.360 nan 0.000 0.403 305 I N 4.467 125.023 120.570 -0.023 0.000 2.392 305 I HA 0.311 4.482 4.170 0.001 0.000 0.295 305 I C -0.503 175.613 176.117 -0.002 0.000 0.985 305 I CA -0.386 60.909 61.300 -0.008 0.000 1.221 305 I CB 1.299 39.299 38.000 0.000 0.000 1.366 305 I HN 0.517 nan 8.210 nan 0.000 0.467 306 L N 4.313 125.540 121.223 0.006 0.000 2.354 306 L HA 0.500 4.840 4.340 0.001 0.000 0.269 306 L C -0.718 176.168 176.870 0.027 0.000 1.005 306 L CA -0.929 53.919 54.840 0.014 0.000 0.819 306 L CB 1.601 43.669 42.059 0.015 0.000 1.311 306 L HN 0.450 nan 8.230 nan 0.000 0.423 307 D N 2.250 122.667 120.400 0.029 0.000 2.339 307 D HA 0.346 4.987 4.640 0.001 0.000 0.241 307 D C -0.651 175.676 176.300 0.045 0.000 1.183 307 D CA 0.290 54.312 54.000 0.037 0.000 0.859 307 D CB 2.286 43.105 40.800 0.031 0.000 1.067 307 D HN 0.081 nan 8.370 nan 0.000 0.484 308 V N 1.979 121.929 119.914 0.060 0.000 3.141 308 V HA 0.409 4.530 4.120 0.001 0.000 0.312 308 V C -0.566 175.587 176.094 0.099 0.000 1.157 308 V CA -0.495 61.849 62.300 0.074 0.000 1.041 308 V CB 2.635 34.501 31.823 0.072 0.000 1.071 308 V HN 0.466 nan 8.190 nan 0.000 0.441 309 T N 3.927 118.548 114.554 0.111 0.000 2.832 309 T HA 0.531 4.882 4.350 0.001 0.000 0.313 309 T C -1.240 173.576 174.700 0.193 0.000 1.035 309 T CA 0.247 62.416 62.100 0.116 0.000 0.950 309 T CB -0.080 68.838 68.868 0.083 0.000 0.984 309 T HN 0.570 nan 8.240 nan 0.000 0.486 310 Y N 1.551 121.874 120.300 0.037 0.000 2.677 310 Y HA 0.740 5.291 4.550 0.001 0.000 0.334 310 Y C -0.496 175.421 175.900 0.028 0.000 1.154 310 Y CA -0.695 57.429 58.100 0.040 0.000 1.070 310 Y CB 2.037 40.520 38.460 0.037 0.000 1.294 310 Y HN 0.628 nan 8.280 nan 0.000 0.475 311 S N -0.305 114.870 115.700 -0.874 0.000 2.707 311 S HA 0.537 5.008 4.470 0.001 0.000 0.270 311 S C -0.397 173.783 174.600 -0.700 0.000 1.031 311 S CA -0.211 57.657 58.200 -0.555 0.000 0.866 311 S CB 0.736 63.793 63.200 -0.238 0.000 1.114 311 S HN 1.799 nan 8.310 nan 0.000 0.465 312 G N 0.691 109.290 108.800 -0.335 0.000 2.780 312 G HA2 0.405 4.365 3.960 0.001 0.000 0.237 312 G HA3 0.405 4.365 3.960 0.001 0.000 0.237 312 G C -0.231 174.608 174.900 -0.101 0.000 1.965 312 G CA 0.187 45.151 45.100 -0.227 0.000 1.577 312 G HN 2.000 nan 8.290 nan 0.000 0.543 313 A N 0.750 123.541 122.820 -0.049 0.000 2.437 313 A HA 0.700 5.021 4.320 0.001 0.000 0.293 313 A C -0.304 177.370 177.584 0.149 0.000 1.038 313 A CA 0.495 52.561 52.037 0.048 0.000 0.708 313 A CB 0.991 20.015 19.000 0.041 0.000 1.251 313 A HN 1.146 nan 8.150 nan 0.000 0.409 314 E N 1.971 122.251 120.200 0.133 0.000 2.373 314 E HA 0.673 5.023 4.350 0.001 0.000 0.263 314 E C -0.066 176.486 176.600 -0.081 0.000 1.073 314 E CA -0.388 56.050 56.400 0.064 0.000 0.894 314 E CB 0.837 30.591 29.700 0.089 0.000 1.008 314 E HN 0.841 nan 8.360 nan 0.000 0.420 315 M N -0.908 118.465 119.600 -0.378 0.000 2.833 315 M HA 0.454 4.934 4.480 0.001 0.000 0.270 315 M C -1.522 174.471 176.300 -0.511 0.000 1.209 315 M CA -1.027 54.093 55.300 -0.300 0.000 0.826 315 M CB 2.175 34.717 32.600 -0.096 0.000 1.657 315 M HN 0.576 nan 8.290 nan 0.000 0.492 316 E N 0.995 121.097 120.200 -0.163 0.000 2.277 316 E HA 0.875 5.226 4.350 0.001 0.000 0.266 316 E C -1.896 174.682 176.600 -0.037 0.000 0.901 316 E CA -1.004 55.377 56.400 -0.031 0.000 0.782 316 E CB 2.852 32.658 29.700 0.178 0.000 1.228 316 E HN 0.772 nan 8.360 nan 0.000 0.424 317 I N 1.876 122.426 120.570 -0.034 0.000 2.752 317 I HA 0.464 4.634 4.170 0.001 0.000 0.290 317 I C -1.023 174.993 176.117 -0.168 0.000 1.507 317 I CA -0.519 60.710 61.300 -0.117 0.000 1.038 317 I CB 1.654 39.574 38.000 -0.133 0.000 1.390 317 I HN 0.685 nan 8.210 nan 0.000 0.435 318 G N 5.579 114.224 108.800 -0.259 0.000 2.400 318 G HA2 0.661 4.622 3.960 0.001 0.000 0.301 318 G HA3 0.661 4.622 3.960 0.001 0.000 0.301 318 G C -1.562 173.073 174.900 -0.442 0.000 1.154 318 G CA -0.253 44.721 45.100 -0.211 0.000 0.852 318 G HN 0.454 nan 8.290 nan 0.000 0.511 319 F N 0.018 120.009 119.950 0.069 0.000 2.613 319 F HA 0.345 4.873 4.527 0.001 0.000 0.310 319 F C 0.054 175.886 175.800 0.054 0.000 1.085 319 F CA -1.209 56.852 58.000 0.102 0.000 0.945 319 F CB 2.496 41.614 39.000 0.198 0.000 1.298 319 F HN 0.371 nan 8.300 nan 0.000 0.455 320 N N 1.592 120.446 118.700 0.257 0.000 2.414 320 N HA 0.146 4.887 4.740 0.001 0.000 0.256 320 N C 0.723 176.256 175.510 0.039 0.000 1.029 320 N CA 0.027 53.055 53.050 -0.037 0.000 0.948 320 N CB 1.631 39.817 38.487 -0.502 0.000 1.102 320 N HN 0.472 nan 8.380 nan 0.000 0.496 321 V N 3.470 123.435 119.914 0.085 0.000 2.317 321 V HA -0.288 3.832 4.120 0.001 0.000 0.251 321 V C 2.224 178.328 176.094 0.018 0.000 1.065 321 V CA 1.943 64.329 62.300 0.144 0.000 1.049 321 V CB -0.805 31.113 31.823 0.159 0.000 0.651 321 V HN 0.646 nan 8.190 nan 0.000 0.450 322 S N -0.962 114.720 115.700 -0.030 0.000 2.392 322 S HA -0.263 4.207 4.470 0.001 0.000 0.225 322 S C 1.854 176.529 174.600 0.124 0.000 1.041 322 S CA 2.132 60.341 58.200 0.014 0.000 1.100 322 S CB -0.628 62.578 63.200 0.011 0.000 1.029 322 S HN 0.536 nan 8.310 nan 0.000 0.424 323 Y N 1.583 121.901 120.300 0.030 0.000 2.062 323 Y HA -0.193 4.357 4.550 0.001 0.000 0.276 323 Y C 2.660 178.512 175.900 -0.080 0.000 1.189 323 Y CA 0.270 58.398 58.100 0.046 0.000 1.130 323 Y CB -1.623 36.903 38.460 0.110 0.000 0.959 323 Y HN 0.070 nan 8.280 nan 0.000 0.499 324 V N -0.013 119.890 119.914 -0.019 0.000 2.307 324 V HA -0.279 3.841 4.120 0.001 0.000 0.245 324 V C 2.561 178.410 176.094 -0.408 0.000 1.045 324 V CA 1.672 63.760 62.300 -0.354 0.000 1.024 324 V CB -0.956 30.431 31.823 -0.726 0.000 0.651 324 V HN 0.328 nan 8.190 nan 0.000 0.449 325 L N -0.289 120.731 121.223 -0.339 0.000 2.083 325 L HA -0.188 4.152 4.340 0.001 0.000 0.209 325 L C 2.435 179.123 176.870 -0.304 0.000 1.083 325 L CA 1.496 56.159 54.840 -0.296 0.000 0.752 325 L CB -0.814 41.140 42.059 -0.175 0.000 0.899 325 L HN 0.349 nan 8.230 nan 0.000 0.433 326 D N -0.083 120.151 120.400 -0.276 0.000 2.116 326 D HA -0.175 4.465 4.640 0.001 0.000 0.193 326 D C 2.292 178.143 176.300 -0.748 0.000 0.998 326 D CA 1.336 55.038 54.000 -0.497 0.000 0.836 326 D CB -0.131 40.474 40.800 -0.325 0.000 0.951 326 D HN 0.116 nan 8.370 nan 0.000 0.449 327 V N 1.096 120.701 119.914 -0.515 0.000 2.358 327 V HA -0.198 3.923 4.120 0.001 0.000 0.246 327 V C 2.664 178.441 176.094 -0.529 0.000 1.047 327 V CA 1.016 62.947 62.300 -0.616 0.000 1.035 327 V CB -0.379 31.191 31.823 -0.422 0.000 0.658 327 V HN 0.210 nan 8.190 nan 0.000 0.452 328 L N -0.006 120.979 121.223 -0.398 0.000 2.083 328 L HA -0.190 4.151 4.340 0.001 0.000 0.209 328 L C 2.206 178.917 176.870 -0.265 0.000 1.083 328 L CA 1.985 56.648 54.840 -0.296 0.000 0.752 328 L CB -0.761 41.134 42.059 -0.274 0.000 0.899 328 L HN 0.460 nan 8.230 nan 0.000 0.433 329 N N -0.189 118.326 118.700 -0.308 0.000 2.270 329 N HA -0.104 4.637 4.740 0.001 0.000 0.181 329 N C 1.928 177.276 175.510 -0.270 0.000 1.016 329 N CA 0.869 53.764 53.050 -0.260 0.000 0.870 329 N CB -0.082 38.242 38.487 -0.272 0.000 0.979 329 N HN 0.291 nan 8.380 nan 0.000 0.431 330 A N 1.178 123.760 122.820 -0.397 0.000 1.897 330 A HA 0.021 4.341 4.320 0.001 0.000 0.215 330 A C 1.264 178.762 177.584 -0.143 0.000 1.181 330 A CA 0.716 52.572 52.037 -0.301 0.000 0.620 330 A CB -0.397 18.334 19.000 -0.448 0.000 0.821 330 A HN 0.171 nan 8.150 nan 0.000 0.443 331 L N 1.430 122.544 121.223 -0.182 0.000 2.533 331 L HA 0.072 4.412 4.340 0.001 0.000 0.239 331 L C -0.392 176.441 176.870 -0.061 0.000 1.376 331 L CA -0.256 54.550 54.840 -0.057 0.000 1.240 331 L CB -0.334 41.692 42.059 -0.056 0.000 1.487 331 L HN 0.281 nan 8.230 nan 0.000 0.419 332 K N 1.847 122.216 120.400 -0.052 0.000 2.062 332 K HA 0.152 4.473 4.320 0.001 0.000 0.251 332 K C -0.012 176.572 176.600 -0.027 0.000 1.113 332 K CA -0.215 56.043 56.287 -0.047 0.000 1.096 332 K CB -0.353 32.122 32.500 -0.040 0.000 1.099 332 K HN 0.534 nan 8.250 nan 0.000 0.350 333 C N -1.307 117.976 119.300 -0.028 0.000 3.316 333 C HA 0.393 4.854 4.460 0.001 0.000 0.360 333 C C 1.268 176.249 174.990 -0.015 0.000 1.560 333 C CA -0.978 58.032 59.018 -0.014 0.000 1.229 333 C CB 1.483 29.220 27.740 -0.004 0.000 1.823 333 C HN 0.526 nan 8.230 nan 0.000 0.440 334 E N 1.323 121.519 120.200 -0.006 0.000 2.011 334 E HA 0.066 4.417 4.350 0.001 0.000 0.191 334 E C 0.043 176.642 176.600 -0.002 0.000 0.980 334 E CA 1.388 57.786 56.400 -0.003 0.000 0.814 334 E CB -0.293 29.408 29.700 0.002 0.000 0.775 334 E HN 0.708 nan 8.360 nan 0.000 0.454 335 N N -0.527 118.176 118.700 0.004 0.000 2.370 335 N HA 0.324 5.064 4.740 0.001 0.000 0.303 335 N C -1.039 174.476 175.510 0.008 0.000 1.103 335 N CA -0.349 52.706 53.050 0.009 0.000 0.848 335 N CB 2.455 40.952 38.487 0.017 0.000 1.235 335 N HN -0.194 nan 8.380 nan 0.000 0.496 336 V N 0.963 120.881 119.914 0.007 0.000 2.815 336 V HA 0.564 4.685 4.120 0.001 0.000 0.314 336 V C -0.243 175.862 176.094 0.018 0.000 1.064 336 V CA -0.772 61.530 62.300 0.003 0.000 0.952 336 V CB 2.017 33.825 31.823 -0.025 0.000 1.020 336 V HN 0.586 nan 8.190 nan 0.000 0.439 337 R N 3.340 123.852 120.500 0.020 0.000 2.740 337 R HA 0.803 5.143 4.340 0.001 0.000 0.282 337 R C -1.267 175.041 176.300 0.012 0.000 0.969 337 R CA -0.652 55.466 56.100 0.030 0.000 0.918 337 R CB 1.888 32.207 30.300 0.032 0.000 1.175 337 R HN 0.785 nan 8.270 nan 0.000 0.464 338 M N 4.690 124.302 119.600 0.020 0.000 2.386 338 M HA 0.414 4.895 4.480 0.001 0.000 0.293 338 M C -1.844 174.450 176.300 -0.009 0.000 1.120 338 M CA -0.579 54.724 55.300 0.006 0.000 0.909 338 M CB 2.276 34.884 32.600 0.013 0.000 1.661 338 M HN 0.629 nan 8.290 nan 0.000 0.452 339 M N 5.689 125.260 119.600 -0.049 0.000 2.190 339 M HA 0.507 4.987 4.480 0.001 0.000 0.312 339 M C -1.459 174.854 176.300 0.020 0.000 0.990 339 M CA -0.442 54.787 55.300 -0.120 0.000 0.927 339 M CB 1.747 34.165 32.600 -0.303 0.000 1.571 339 M HN 0.595 nan 8.290 nan 0.000 0.427 340 L N 0.872 122.155 121.223 0.099 0.000 2.341 340 L HA 0.776 5.117 4.340 0.001 0.000 0.267 340 L C 0.555 177.500 176.870 0.125 0.000 1.022 340 L CA -0.345 54.575 54.840 0.134 0.000 0.844 340 L CB 1.898 44.057 42.059 0.167 0.000 1.436 340 L HN 0.697 nan 8.230 nan 0.000 0.483 341 T N -2.853 111.765 114.554 0.106 0.000 3.560 341 T HA 0.181 4.532 4.350 0.001 0.000 0.217 341 T C -0.820 173.920 174.700 0.066 0.000 0.934 341 T CA -0.161 61.989 62.100 0.084 0.000 1.074 341 T CB 0.458 69.366 68.868 0.066 0.000 1.156 341 T HN 0.473 nan 8.240 nan 0.000 0.342 342 D N 0.674 121.104 120.400 0.051 0.000 2.553 342 D HA 0.488 5.129 4.640 0.001 0.000 0.249 342 D C 0.517 176.822 176.300 0.009 0.000 1.062 342 D CA -0.198 53.819 54.000 0.029 0.000 1.085 342 D CB 1.706 42.519 40.800 0.021 0.000 1.350 342 D HN 0.283 nan 8.370 nan 0.000 0.575 343 S N -1.354 114.339 115.700 -0.011 0.000 2.556 343 S HA 0.071 4.541 4.470 0.001 0.000 0.216 343 S C 1.268 175.834 174.600 -0.057 0.000 0.970 343 S CA 0.047 58.219 58.200 -0.046 0.000 0.912 343 S CB -0.164 63.016 63.200 -0.033 0.000 0.790 343 S HN 0.333 nan 8.310 nan 0.000 0.504 344 V N -1.357 118.542 119.914 -0.025 0.000 3.562 344 V HA 0.402 4.522 4.120 0.001 0.000 0.270 344 V C 0.606 176.701 176.094 0.003 0.000 1.418 344 V CA 0.179 62.470 62.300 -0.015 0.000 1.033 344 V CB -0.366 31.455 31.823 -0.002 0.000 0.820 344 V HN 0.486 nan 8.190 nan 0.000 0.441 345 S N 1.567 117.275 115.700 0.014 0.000 2.651 345 S HA 0.656 5.126 4.470 0.001 0.000 0.291 345 S C 0.370 175.002 174.600 0.055 0.000 1.141 345 S CA 0.301 58.520 58.200 0.033 0.000 1.027 345 S CB 1.510 64.731 63.200 0.035 0.000 1.043 345 S HN 1.064 nan 8.310 nan 0.000 0.530 346 S N 0.733 116.476 115.700 0.072 0.000 2.580 346 S HA 0.407 4.878 4.470 0.001 0.000 0.261 346 S C 0.036 174.718 174.600 0.137 0.000 1.366 346 S CA -0.515 57.752 58.200 0.112 0.000 0.996 346 S CB -0.176 63.081 63.200 0.095 0.000 0.902 346 S HN 0.872 nan 8.310 nan 0.000 0.566 347 V N 1.255 121.283 119.914 0.190 0.000 3.001 347 V HA 0.563 4.684 4.120 0.001 0.000 0.314 347 V C -0.491 175.676 176.094 0.122 0.000 1.099 347 V CA -0.828 61.583 62.300 0.185 0.000 0.989 347 V CB 1.893 33.909 31.823 0.320 0.000 1.040 347 V HN 0.969 nan 8.190 nan 0.000 0.434 348 Q N 2.274 122.117 119.800 0.072 0.000 2.320 348 Q HA 0.496 4.837 4.340 0.001 0.000 0.268 348 Q C -1.614 174.409 176.000 0.039 0.000 1.023 348 Q CA -0.627 55.208 55.803 0.053 0.000 0.744 348 Q CB 1.513 30.264 28.738 0.022 0.000 1.246 348 Q HN 0.603 nan 8.270 nan 0.000 0.462 349 I N 2.140 122.754 120.570 0.072 0.000 2.499 349 I HA 0.510 4.681 4.170 0.001 0.000 0.296 349 I C 0.051 176.248 176.117 0.133 0.000 0.992 349 I CA -0.198 61.138 61.300 0.060 0.000 1.297 349 I CB 1.199 39.207 38.000 0.013 0.000 1.410 349 I HN 0.767 nan 8.210 nan 0.000 0.507 350 E N 1.982 122.236 120.200 0.090 0.000 2.396 350 E HA 0.145 4.496 4.350 0.001 0.000 0.280 350 E C -1.644 174.995 176.600 0.065 0.000 1.065 350 E CA -0.661 55.801 56.400 0.103 0.000 0.831 350 E CB 1.905 31.633 29.700 0.047 0.000 1.272 350 E HN 0.597 nan 8.360 nan 0.000 0.443 351 D N 1.154 121.596 120.400 0.070 0.000 2.423 351 D HA 0.141 4.781 4.640 0.001 0.000 0.238 351 D C 0.382 176.701 176.300 0.031 0.000 1.142 351 D CA 0.777 54.803 54.000 0.043 0.000 0.884 351 D CB 1.615 42.440 40.800 0.043 0.000 1.199 351 D HN 0.517 nan 8.370 nan 0.000 0.438 352 A N 3.086 125.922 122.820 0.026 0.000 2.169 352 A HA 0.226 4.546 4.320 0.001 0.000 0.212 352 A C 1.609 179.207 177.584 0.024 0.000 1.153 352 A CA 1.318 53.371 52.037 0.027 0.000 0.756 352 A CB -0.025 18.992 19.000 0.028 0.000 0.813 352 A HN 0.571 nan 8.150 nan 0.000 0.471 353 A N -0.182 122.650 122.820 0.020 0.000 1.941 353 A HA 0.384 4.704 4.320 0.001 0.000 0.214 353 A C 1.550 179.143 177.584 0.015 0.000 1.368 353 A CA 1.047 53.094 52.037 0.017 0.000 0.651 353 A CB -0.747 18.261 19.000 0.014 0.000 1.064 353 A HN 0.815 nan 8.150 nan 0.000 0.492 354 S N -1.040 114.669 115.700 0.014 0.000 2.687 354 S HA 0.504 4.975 4.470 0.001 0.000 0.283 354 S C -0.204 174.400 174.600 0.008 0.000 1.170 354 S CA -0.488 57.718 58.200 0.010 0.000 1.008 354 S CB 1.343 64.547 63.200 0.008 0.000 1.026 354 S HN 0.385 nan 8.310 nan 0.000 0.541 355 Q N 0.812 120.611 119.800 -0.002 0.000 2.141 355 Q HA 0.252 4.593 4.340 0.001 0.000 0.248 355 Q C 0.827 176.808 176.000 -0.031 0.000 0.834 355 Q CA -0.240 55.556 55.803 -0.012 0.000 1.096 355 Q CB 0.647 29.381 28.738 -0.006 0.000 1.189 355 Q HN 0.755 nan 8.270 nan 0.000 0.471 356 S N 1.089 116.770 115.700 -0.032 0.000 2.348 356 S HA -0.048 4.422 4.470 0.001 0.000 0.221 356 S C 1.000 175.543 174.600 -0.095 0.000 1.033 356 S CA 1.024 59.193 58.200 -0.051 0.000 1.010 356 S CB 0.108 63.286 63.200 -0.036 0.000 0.891 356 S HN 0.476 nan 8.310 nan 0.000 0.442 357 A N 0.516 123.278 122.820 -0.097 0.000 2.324 357 A HA 0.820 5.141 4.320 0.001 0.000 0.330 357 A C -0.411 177.011 177.584 -0.270 0.000 1.165 357 A CA -0.378 51.532 52.037 -0.212 0.000 0.813 357 A CB 1.094 20.021 19.000 -0.122 0.000 1.197 357 A HN 0.502 nan 8.150 nan 0.000 0.484 358 A N 1.186 123.700 122.820 -0.511 0.000 2.455 358 A HA 0.734 5.055 4.320 0.001 0.000 0.300 358 A C -1.658 175.524 177.584 -0.670 0.000 1.040 358 A CA -0.390 51.414 52.037 -0.389 0.000 0.697 358 A CB 0.888 19.776 19.000 -0.187 0.000 1.265 358 A HN 0.790 nan 8.150 nan 0.000 0.407 359 Y N 0.593 120.887 120.300 -0.011 0.000 2.409 359 Y HA 0.568 5.119 4.550 0.001 0.000 0.343 359 Y C -0.131 175.770 175.900 0.001 0.000 0.973 359 Y CA -0.902 57.194 58.100 -0.006 0.000 1.064 359 Y CB 2.426 40.907 38.460 0.035 0.000 1.207 359 Y HN 0.400 nan 8.280 nan 0.000 0.452 360 V N 4.504 124.490 119.914 0.120 0.000 2.409 360 V HA 0.539 4.660 4.120 0.001 0.000 0.291 360 V C -0.711 175.449 176.094 0.110 0.000 1.020 360 V CA -0.811 61.549 62.300 0.099 0.000 0.848 360 V CB 1.498 33.361 31.823 0.067 0.000 0.990 360 V HN 0.556 nan 8.190 nan 0.000 0.430 361 V N 5.399 125.407 119.914 0.156 0.000 2.540 361 V HA 0.492 4.612 4.120 0.001 0.000 0.302 361 V C 0.010 176.290 176.094 0.310 0.000 1.035 361 V CA -0.707 61.724 62.300 0.217 0.000 0.873 361 V CB 2.021 33.997 31.823 0.256 0.000 0.992 361 V HN 0.712 nan 8.190 nan 0.000 0.428 362 M N 7.171 126.936 119.600 0.275 0.000 2.120 362 M HA 0.366 4.846 4.480 0.001 0.000 0.354 362 M C -2.168 174.262 176.300 0.216 0.000 1.287 362 M CA -2.355 53.081 55.300 0.227 0.000 1.103 362 M CB 1.184 33.903 32.600 0.199 0.000 1.623 362 M HN 0.404 nan 8.290 nan 0.000 0.471 363 P HA 0.056 nan 4.420 nan 0.000 0.270 363 P C -0.553 176.658 177.300 -0.149 0.000 1.227 363 P CA -0.193 62.700 63.100 -0.345 0.000 0.788 363 P CB 0.855 32.297 31.700 -0.431 0.000 0.926 364 M N 1.376 120.849 119.600 -0.212 0.000 2.368 364 M HA 0.159 4.639 4.480 0.001 0.000 0.311 364 M C 1.733 177.990 176.300 -0.072 0.000 1.168 364 M CA -0.601 54.649 55.300 -0.084 0.000 1.044 364 M CB 1.003 33.563 32.600 -0.066 0.000 1.506 364 M HN 0.152 nan 8.290 nan 0.000 0.475 365 R N 1.250 121.734 120.500 -0.026 0.000 2.094 365 R HA -0.021 4.319 4.340 0.001 0.000 0.239 365 R C 0.532 176.818 176.300 -0.023 0.000 1.137 365 R CA 1.005 57.097 56.100 -0.013 0.000 0.943 365 R CB -1.352 28.954 30.300 0.010 0.000 0.850 365 R HN 0.759 nan 8.270 nan 0.000 0.433 366 L N 0.000 121.211 121.223 -0.019 0.000 2.949 366 L HA 0.000 4.340 4.340 0.001 0.000 0.249 366 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 366 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502