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 3d1f_1_B 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 AILSNEKFRG 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 0.000 176.346 176.300 0.077 0.000 1.140 1 M CA 0.000 55.349 55.300 0.081 0.000 0.988 1 M CB 0.000 32.655 32.600 0.091 0.000 1.302 2 K N 4.438 124.920 120.400 0.137 0.000 2.557 2 K HA 0.779 5.099 4.320 -0.000 0.000 0.261 2 K C -2.205 174.544 176.600 0.248 0.000 0.932 2 K CA -0.490 55.845 56.287 0.080 0.000 0.829 2 K CB 2.097 34.620 32.500 0.038 0.000 1.358 2 K HN 0.588 nan 8.250 nan 0.000 0.430 3 F N -1.460 118.539 119.950 0.083 0.000 2.741 3 F HA 0.580 5.107 4.527 -0.000 0.000 0.311 3 F C -1.608 174.244 175.800 0.086 0.000 1.149 3 F CA -0.751 57.308 58.000 0.099 0.000 0.930 3 F CB 2.039 41.081 39.000 0.070 0.000 1.312 3 F HN 0.218 nan 8.300 nan 0.000 0.450 4 T N 2.317 117.075 114.554 0.339 0.000 2.949 4 T HA 0.605 4.955 4.350 -0.000 0.000 0.300 4 T C -1.679 173.185 174.700 0.274 0.000 0.988 4 T CA -0.666 61.564 62.100 0.217 0.000 0.993 4 T CB 1.417 70.359 68.868 0.122 0.000 0.984 4 T HN 0.900 nan 8.240 nan 0.000 0.442 5 V N 2.875 122.964 119.914 0.291 0.000 2.962 5 V HA 0.550 4.670 4.120 -0.000 0.000 0.313 5 V C -0.685 175.506 176.094 0.161 0.000 1.099 5 V CA -0.955 61.485 62.300 0.234 0.000 0.971 5 V CB 2.136 34.110 31.823 0.250 0.000 1.028 5 V HN 0.903 nan 8.190 nan 0.000 0.430 6 E N 3.601 123.879 120.200 0.129 0.000 2.392 6 E HA 0.142 4.492 4.350 -0.000 0.000 0.264 6 E C 0.858 177.449 176.600 -0.015 0.000 1.024 6 E CA 0.042 56.445 56.400 0.005 0.000 0.903 6 E CB 0.909 30.518 29.700 -0.151 0.000 0.963 6 E HN 0.630 nan 8.360 nan 0.000 0.432 7 R N 2.416 122.891 120.500 -0.042 0.000 2.096 7 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 7 R C 1.154 177.417 176.300 -0.062 0.000 1.139 7 R CA 1.879 57.947 56.100 -0.053 0.000 0.952 7 R CB 0.063 30.321 30.300 -0.070 0.000 0.854 7 R HN 0.444 nan 8.270 nan 0.000 0.436 8 E N -0.578 119.550 120.200 -0.119 0.000 2.333 8 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 8 E C 1.187 177.765 176.600 -0.037 0.000 1.007 8 E CA 1.266 57.599 56.400 -0.112 0.000 0.845 8 E CB -0.110 29.483 29.700 -0.178 0.000 0.766 8 E HN 0.662 nan 8.360 nan 0.000 0.507 9 H N -1.723 117.355 119.070 0.015 0.000 2.575 9 H HA 0.170 4.726 4.556 -0.000 0.000 0.267 9 H C 1.165 176.500 175.328 0.011 0.000 0.966 9 H CA -0.110 55.944 56.048 0.010 0.000 1.165 9 H CB 0.592 30.354 29.762 -0.001 0.000 1.433 9 H HN 0.014 nan 8.280 nan 0.000 0.544 10 L N -0.066 121.229 121.223 0.120 0.000 2.537 10 L HA 0.120 4.460 4.340 -0.000 0.000 0.224 10 L C 1.547 178.461 176.870 0.073 0.000 1.065 10 L CA 0.686 55.571 54.840 0.075 0.000 0.860 10 L CB 0.107 42.193 42.059 0.045 0.000 1.086 10 L HN 0.206 nan 8.230 nan 0.000 0.482 11 L N -0.243 121.023 121.223 0.071 0.000 1.970 11 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 11 L C 2.523 179.523 176.870 0.216 0.000 1.071 11 L CA 1.896 56.815 54.840 0.131 0.000 0.751 11 L CB -0.508 41.599 42.059 0.079 0.000 0.889 11 L HN 0.267 nan 8.230 nan 0.000 0.432 12 K N -0.187 120.320 120.400 0.178 0.000 2.026 12 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 12 K C -0.391 176.358 176.600 0.248 0.000 1.048 12 K CA 1.301 57.697 56.287 0.182 0.000 0.929 12 K CB -0.719 31.903 32.500 0.205 0.000 0.713 12 K HN 0.131 nan 8.250 nan 0.000 0.439 13 P HA -0.177 nan 4.420 nan 0.000 0.215 13 P C 1.196 178.642 177.300 0.243 0.000 1.157 13 P CA 1.279 64.609 63.100 0.383 0.000 0.874 13 P CB 0.044 31.838 31.700 0.156 0.000 0.790 14 L N -0.939 120.387 121.223 0.171 0.000 2.046 14 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 14 L C 2.788 179.650 176.870 -0.012 0.000 1.077 14 L CA 1.581 56.505 54.840 0.140 0.000 0.747 14 L CB -0.802 41.384 42.059 0.212 0.000 0.896 14 L HN 0.052 nan 8.230 nan 0.000 0.432 15 Q N -0.585 119.154 119.800 -0.102 0.000 2.079 15 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 15 Q C 2.293 178.154 176.000 -0.232 0.000 0.974 15 Q CA 1.331 56.899 55.803 -0.391 0.000 0.840 15 Q CB 0.134 28.694 28.738 -0.296 0.000 0.898 15 Q HN 0.486 nan 8.270 nan 0.000 0.430 16 Q N -0.236 119.482 119.800 -0.136 0.000 2.079 16 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 16 Q C 2.269 178.229 176.000 -0.065 0.000 0.974 16 Q CA 1.773 57.463 55.803 -0.189 0.000 0.840 16 Q CB -0.229 28.236 28.738 -0.455 0.000 0.898 16 Q HN 0.506 nan 8.270 nan 0.000 0.430 17 V N -2.129 117.816 119.914 0.052 0.000 2.809 17 V HA -0.039 4.081 4.120 -0.000 0.000 0.256 17 V C 1.845 177.975 176.094 0.061 0.000 1.080 17 V CA 1.509 63.867 62.300 0.098 0.000 1.102 17 V CB -0.406 31.502 31.823 0.141 0.000 0.705 17 V HN 0.046 nan 8.190 nan 0.000 0.475 18 S N 1.171 116.869 115.700 -0.004 0.000 2.561 18 S HA 0.153 4.623 4.470 -0.000 0.000 0.225 18 S C 2.005 176.585 174.600 -0.033 0.000 0.977 18 S CA 0.808 58.996 58.200 -0.019 0.000 0.926 18 S CB -0.181 62.960 63.200 -0.099 0.000 0.769 18 S HN 0.817 nan 8.310 nan 0.000 0.533 19 G N 3.542 112.313 108.800 -0.049 0.000 2.553 19 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 19 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 19 G C -0.448 174.447 174.900 -0.009 0.000 1.195 19 G CA 0.982 46.049 45.100 -0.055 0.000 0.779 19 G HN 0.484 nan 8.290 nan 0.000 0.577 20 P HA 0.068 nan 4.420 nan 0.000 0.234 20 P C 0.135 177.462 177.300 0.045 0.000 1.167 20 P CA 0.174 63.311 63.100 0.062 0.000 0.763 20 P CB -0.006 31.762 31.700 0.114 0.000 0.835 21 L N 0.376 121.623 121.223 0.039 0.000 2.360 21 L HA 0.248 4.588 4.340 -0.000 0.000 0.276 21 L C 2.095 178.978 176.870 0.022 0.000 1.121 21 L CA 0.486 55.348 54.840 0.037 0.000 0.845 21 L CB -0.205 41.883 42.059 0.047 0.000 1.143 21 L HN -0.081 nan 8.230 nan 0.000 0.452 22 G N 1.646 110.460 108.800 0.023 0.000 2.471 22 G HA2 0.149 4.109 3.960 -0.000 0.000 0.219 22 G HA3 0.149 4.109 3.960 -0.000 0.000 0.219 22 G C 1.136 176.046 174.900 0.018 0.000 1.125 22 G CA 0.653 45.764 45.100 0.018 0.000 0.775 22 G HN 1.078 nan 8.290 nan 0.000 0.548 23 G N -0.680 108.133 108.800 0.023 0.000 2.176 23 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.253 23 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.253 23 G C 0.631 175.548 174.900 0.028 0.000 0.979 23 G CA 0.693 45.809 45.100 0.026 0.000 0.641 23 G HN 0.853 nan 8.290 nan 0.000 0.530 24 R N 0.146 120.661 120.500 0.025 0.000 2.410 24 R HA 0.256 4.596 4.340 -0.000 0.000 0.288 24 R C -2.349 173.963 176.300 0.019 0.000 1.023 24 R CA -0.418 55.696 56.100 0.023 0.000 1.161 24 R CB 0.183 30.495 30.300 0.020 0.000 1.390 24 R HN 0.312 nan 8.270 nan 0.000 0.703 25 P HA 0.069 nan 4.420 nan 0.000 0.273 25 P C 0.146 177.453 177.300 0.011 0.000 1.250 25 P CA -0.112 62.996 63.100 0.013 0.000 0.793 25 P CB 0.919 32.627 31.700 0.012 0.000 1.011 26 T N 0.797 115.354 114.554 0.005 0.000 3.287 26 T HA 0.258 4.608 4.350 -0.000 0.000 0.253 26 T C -0.390 174.310 174.700 0.001 0.000 0.975 26 T CA -0.055 62.047 62.100 0.004 0.000 0.912 26 T CB -0.883 67.986 68.868 0.002 0.000 1.071 26 T HN 0.098 nan 8.240 nan 0.000 0.578 27 L N 1.881 123.106 121.223 0.002 0.000 2.611 27 L HA 0.396 4.736 4.340 -0.000 0.000 0.263 27 L C -2.135 174.740 176.870 0.009 0.000 0.969 27 L CA -1.659 53.180 54.840 -0.002 0.000 0.894 27 L CB 2.250 44.298 42.059 -0.018 0.000 1.229 27 L HN -0.028 nan 8.230 nan 0.000 0.416 28 P HA -0.190 nan 4.420 nan 0.000 0.216 28 P C 1.652 178.980 177.300 0.046 0.000 1.157 28 P CA 1.268 64.387 63.100 0.032 0.000 0.880 28 P CB 0.553 32.271 31.700 0.030 0.000 0.791 29 I N -1.193 119.400 120.570 0.039 0.000 2.361 29 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 29 I C 1.794 177.952 176.117 0.068 0.000 1.133 29 I CA 1.419 62.759 61.300 0.066 0.000 1.413 29 I CB -0.679 37.341 38.000 0.033 0.000 1.073 29 I HN -0.145 nan 8.210 nan 0.000 0.424 30 L N -0.107 121.122 121.223 0.011 0.000 2.551 30 L HA 0.017 4.357 4.340 -0.000 0.000 0.228 30 L C 2.051 178.962 176.870 0.068 0.000 1.153 30 L CA 0.780 55.622 54.840 0.004 0.000 0.851 30 L CB -0.964 41.078 42.059 -0.029 0.000 0.959 30 L HN 0.417 nan 8.230 nan 0.000 0.451 31 G N -1.218 107.630 108.800 0.081 0.000 3.088 31 G HA2 0.017 3.977 3.960 -0.000 0.000 0.217 31 G HA3 0.017 3.977 3.960 -0.000 0.000 0.217 31 G C 0.358 175.332 174.900 0.122 0.000 1.159 31 G CA -0.225 44.928 45.100 0.089 0.000 0.760 31 G HN 0.201 nan 8.290 nan 0.000 0.550 32 N N -0.285 118.515 118.700 0.167 0.000 2.459 32 N HA 0.641 5.381 4.740 -0.000 0.000 0.288 32 N C -0.803 174.850 175.510 0.237 0.000 1.186 32 N CA -0.500 52.659 53.050 0.182 0.000 0.917 32 N CB 1.780 40.372 38.487 0.175 0.000 1.219 32 N HN -0.099 nan 8.380 nan 0.000 0.525 33 L N 1.092 122.393 121.223 0.131 0.000 2.329 33 L HA 0.473 4.813 4.340 -0.000 0.000 0.279 33 L C -0.606 176.149 176.870 -0.191 0.000 1.014 33 L CA -1.138 53.726 54.840 0.040 0.000 0.814 33 L CB 1.591 43.712 42.059 0.103 0.000 1.257 33 L HN 0.268 nan 8.230 nan 0.000 0.424 34 L N 3.953 124.826 121.223 -0.583 0.000 2.281 34 L HA 0.417 4.757 4.340 -0.000 0.000 0.285 34 L C -0.975 175.711 176.870 -0.306 0.000 1.074 34 L CA 0.125 54.551 54.840 -0.690 0.000 0.817 34 L CB 0.716 41.994 42.059 -1.302 0.000 1.168 34 L HN 0.328 nan 8.230 nan 0.000 0.434 35 L N 5.619 126.737 121.223 -0.175 0.000 2.313 35 L HA 0.572 4.912 4.340 -0.000 0.000 0.283 35 L C -0.366 176.461 176.870 -0.072 0.000 1.013 35 L CA 0.050 54.843 54.840 -0.078 0.000 0.816 35 L CB 1.645 43.715 42.059 0.018 0.000 1.236 35 L HN 0.657 nan 8.230 nan 0.000 0.419 36 Q N 2.517 122.267 119.800 -0.084 0.000 2.304 36 Q HA 0.649 4.989 4.340 -0.000 0.000 0.270 36 Q C -1.380 174.578 176.000 -0.070 0.000 1.035 36 Q CA -0.621 55.146 55.803 -0.061 0.000 0.781 36 Q CB 3.172 31.869 28.738 -0.068 0.000 1.261 36 Q HN 0.316 nan 8.270 nan 0.000 0.444 37 V N 1.684 121.587 119.914 -0.018 0.000 2.384 37 V HA 0.912 5.032 4.120 -0.000 0.000 0.287 37 V C -0.610 175.499 176.094 0.026 0.000 1.020 37 V CA -0.368 61.927 62.300 -0.008 0.000 0.850 37 V CB 1.296 33.175 31.823 0.093 0.000 0.987 37 V HN 0.850 nan 8.190 nan 0.000 0.436 38 A N 3.452 126.277 122.820 0.008 0.000 2.577 38 A HA 0.625 4.945 4.320 -0.000 0.000 0.297 38 A C -0.301 177.299 177.584 0.026 0.000 1.060 38 A CA -0.431 51.624 52.037 0.030 0.000 0.697 38 A CB 1.133 20.136 19.000 0.005 0.000 1.281 38 A HN 0.929 nan 8.150 nan 0.000 0.402 39 D N 1.282 121.719 120.400 0.062 0.000 2.802 39 D HA 0.016 4.656 4.640 -0.000 0.000 0.229 39 D C 1.310 177.639 176.300 0.048 0.000 1.203 39 D CA 2.874 56.909 54.000 0.059 0.000 0.712 39 D CB -0.986 39.824 40.800 0.016 0.000 0.973 39 D HN 2.432 nan 8.370 nan 0.000 0.407 40 G N 0.424 109.303 108.800 0.132 0.000 2.187 40 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 40 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 40 G C 0.428 175.192 174.900 -0.227 0.000 1.000 40 G CA 0.790 45.849 45.100 -0.069 0.000 0.718 40 G HN 0.815 nan 8.290 nan 0.000 0.519 41 T N -0.221 114.215 114.554 -0.197 0.000 2.916 41 T HA 0.545 4.895 4.350 -0.000 0.000 0.298 41 T C -0.682 173.883 174.700 -0.226 0.000 1.031 41 T CA -0.517 61.460 62.100 -0.204 0.000 0.993 41 T CB 2.180 70.966 68.868 -0.137 0.000 1.045 41 T HN 0.758 nan 8.240 nan 0.000 0.454 42 L N 3.016 124.068 121.223 -0.285 0.000 2.272 42 L HA 0.727 5.067 4.340 -0.000 0.000 0.289 42 L C -0.464 176.260 176.870 -0.243 0.000 1.032 42 L CA 0.145 54.780 54.840 -0.341 0.000 0.810 42 L CB 1.138 42.852 42.059 -0.575 0.000 1.205 42 L HN 0.547 nan 8.230 nan 0.000 0.422 43 S N 5.711 121.301 115.700 -0.183 0.000 2.451 43 S HA 0.783 5.253 4.470 -0.000 0.000 0.301 43 S C -0.798 173.735 174.600 -0.112 0.000 1.116 43 S CA -0.432 57.689 58.200 -0.133 0.000 1.093 43 S CB 1.205 64.345 63.200 -0.099 0.000 1.017 43 S HN 0.479 nan 8.310 nan 0.000 0.482 44 L N 2.820 123.999 121.223 -0.074 0.000 2.356 44 L HA 0.601 4.941 4.340 -0.000 0.000 0.277 44 L C 0.012 176.876 176.870 -0.009 0.000 0.996 44 L CA -0.195 54.626 54.840 -0.031 0.000 0.822 44 L CB 1.888 43.967 42.059 0.034 0.000 1.256 44 L HN 0.529 nan 8.230 nan 0.000 0.413 45 T N 1.336 115.855 114.554 -0.059 0.000 2.848 45 T HA 0.781 5.131 4.350 -0.000 0.000 0.285 45 T C -0.072 174.686 174.700 0.096 0.000 0.995 45 T CA -0.800 61.305 62.100 0.008 0.000 0.970 45 T CB 1.864 70.719 68.868 -0.021 0.000 0.976 45 T HN 0.743 nan 8.240 nan 0.000 0.441 46 G N 0.609 109.540 108.800 0.219 0.000 2.482 46 G HA2 0.697 4.657 3.960 -0.000 0.000 0.317 46 G HA3 0.697 4.657 3.960 -0.000 0.000 0.317 46 G C -1.043 174.025 174.900 0.280 0.000 1.241 46 G CA -0.556 44.712 45.100 0.281 0.000 0.967 46 G HN 0.761 nan 8.290 nan 0.000 0.482 47 T N -0.947 113.748 114.554 0.235 0.000 2.821 47 T HA 0.484 4.834 4.350 -0.000 0.000 0.306 47 T C -1.150 173.557 174.700 0.012 0.000 1.313 47 T CA -0.246 61.905 62.100 0.085 0.000 1.012 47 T CB 2.015 70.872 68.868 -0.018 0.000 1.298 47 T HN 0.627 nan 8.240 nan 0.000 0.502 48 D N 2.022 122.415 120.400 -0.012 0.000 2.582 48 D HA 0.252 4.892 4.640 -0.000 0.000 0.246 48 D C 1.452 177.721 176.300 -0.050 0.000 1.334 48 D CA -0.126 53.861 54.000 -0.022 0.000 0.805 48 D CB -0.449 40.356 40.800 0.009 0.000 1.087 48 D HN 0.594 nan 8.370 nan 0.000 0.499 49 L N -0.988 120.186 121.223 -0.081 0.000 3.704 49 L HA -0.261 4.079 4.340 -0.000 0.000 0.396 49 L C 1.233 178.056 176.870 -0.077 0.000 0.713 49 L CA 1.740 56.525 54.840 -0.091 0.000 2.823 49 L CB -1.126 40.884 42.059 -0.083 0.000 0.891 49 L HN 0.118 nan 8.230 nan 0.000 0.687 50 E N 0.210 120.372 120.200 -0.062 0.000 2.307 50 E HA 0.201 4.551 4.350 -0.000 0.000 0.195 50 E C 0.711 177.253 176.600 -0.097 0.000 0.975 50 E CA 1.271 57.628 56.400 -0.072 0.000 0.878 50 E CB 0.481 30.151 29.700 -0.049 0.000 0.845 50 E HN 0.689 nan 8.360 nan 0.000 0.488 51 M N -0.413 119.142 119.600 -0.074 0.000 2.622 51 M HA 0.518 4.998 4.480 -0.000 0.000 0.276 51 M C -1.356 174.909 176.300 -0.058 0.000 1.265 51 M CA -0.851 54.371 55.300 -0.131 0.000 0.850 51 M CB 2.895 35.461 32.600 -0.055 0.000 1.720 51 M HN -0.204 nan 8.290 nan 0.000 0.465 52 E N 1.699 121.833 120.200 -0.110 0.000 2.383 52 E HA 0.737 5.087 4.350 -0.000 0.000 0.275 52 E C -1.877 174.781 176.600 0.098 0.000 0.918 52 E CA -1.017 55.403 56.400 0.033 0.000 0.764 52 E CB 2.854 32.582 29.700 0.046 0.000 1.252 52 E HN 0.742 nan 8.360 nan 0.000 0.449 53 M N 2.743 122.460 119.600 0.195 0.000 2.190 53 M HA 0.394 4.874 4.480 -0.000 0.000 0.312 53 M C -2.166 174.250 176.300 0.194 0.000 0.990 53 M CA -0.761 54.691 55.300 0.253 0.000 0.927 53 M CB 1.926 34.674 32.600 0.246 0.000 1.571 53 M HN 0.481 nan 8.290 nan 0.000 0.427 54 V N 4.186 124.209 119.914 0.182 0.000 2.495 54 V HA 0.967 5.087 4.120 -0.000 0.000 0.298 54 V C -0.418 175.756 176.094 0.133 0.000 1.031 54 V CA -0.741 61.632 62.300 0.121 0.000 0.871 54 V CB 1.398 33.256 31.823 0.059 0.000 0.988 54 V HN 0.970 nan 8.190 nan 0.000 0.432 55 A N 5.256 128.107 122.820 0.053 0.000 2.355 55 A HA 0.877 5.196 4.320 -0.000 0.000 0.317 55 A C -0.422 177.042 177.584 -0.200 0.000 1.094 55 A CA -0.823 51.124 52.037 -0.150 0.000 0.764 55 A CB 1.299 20.270 19.000 -0.050 0.000 1.230 55 A HN 0.813 nan 8.150 nan 0.000 0.448 56 R N 1.212 121.533 120.500 -0.299 0.000 2.437 56 R HA 0.589 4.929 4.340 -0.000 0.000 0.310 56 R C -1.517 174.628 176.300 -0.258 0.000 0.955 56 R CA -0.622 55.343 56.100 -0.226 0.000 0.851 56 R CB 2.129 32.325 30.300 -0.174 0.000 1.161 56 R HN 0.405 nan 8.270 nan 0.000 0.446 57 V N 2.614 122.391 119.914 -0.229 0.000 2.407 57 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 57 V C 0.251 176.208 176.094 -0.228 0.000 1.018 57 V CA -0.973 61.192 62.300 -0.225 0.000 0.842 57 V CB 1.543 33.245 31.823 -0.201 0.000 0.996 57 V HN 0.943 nan 8.190 nan 0.000 0.426 58 A N 6.138 128.828 122.820 -0.216 0.000 2.511 58 A HA 0.539 4.859 4.320 -0.000 0.000 0.242 58 A C -0.211 177.248 177.584 -0.209 0.000 1.069 58 A CA 0.133 52.050 52.037 -0.199 0.000 0.763 58 A CB 0.010 18.905 19.000 -0.174 0.000 1.001 58 A HN 0.829 nan 8.150 nan 0.000 0.498 59 L N 4.065 125.142 121.223 -0.242 0.000 2.301 59 L HA 0.247 4.587 4.340 -0.000 0.000 0.278 59 L C 1.055 177.841 176.870 -0.140 0.000 1.022 59 L CA -0.600 54.084 54.840 -0.259 0.000 0.854 59 L CB 1.375 43.090 42.059 -0.574 0.000 1.226 59 L HN 0.751 nan 8.230 nan 0.000 0.429 60 V N -0.410 119.482 119.914 -0.037 0.000 3.406 60 V HA 0.100 4.220 4.120 -0.000 0.000 0.263 60 V C 0.841 176.987 176.094 0.087 0.000 1.172 60 V CA 0.285 62.601 62.300 0.025 0.000 1.140 60 V CB -0.539 31.296 31.823 0.019 0.000 0.784 60 V HN 0.745 nan 8.190 nan 0.000 0.467 61 Q N 1.719 121.590 119.800 0.118 0.000 2.215 61 Q HA 0.456 4.796 4.340 -0.000 0.000 0.256 61 Q C -2.518 173.644 176.000 0.270 0.000 0.972 61 Q CA -2.416 53.480 55.803 0.154 0.000 0.889 61 Q CB 1.239 30.059 28.738 0.137 0.000 1.281 61 Q HN 0.208 nan 8.270 nan 0.000 0.456 62 P HA -0.114 nan 4.420 nan 0.000 0.266 62 P C -1.146 176.292 177.300 0.229 0.000 1.186 62 P CA 0.862 64.041 63.100 0.132 0.000 0.767 62 P CB 0.473 32.201 31.700 0.047 0.000 0.820 63 H N -0.773 118.337 119.070 0.067 0.000 2.981 63 H HA 0.531 5.087 4.556 -0.000 0.000 0.327 63 H C -1.170 174.198 175.328 0.068 0.000 1.342 63 H CA -0.939 55.166 56.048 0.095 0.000 1.123 63 H CB 1.434 31.269 29.762 0.121 0.000 1.851 63 H HN 0.384 nan 8.280 nan 0.000 0.531 64 E N 1.581 121.870 120.200 0.148 0.000 2.272 64 E HA 0.302 4.652 4.350 -0.000 0.000 0.269 64 E C -2.804 173.871 176.600 0.125 0.000 0.877 64 E CA -2.110 54.330 56.400 0.067 0.000 0.755 64 E CB 3.225 32.950 29.700 0.041 0.000 1.192 64 E HN 0.349 nan 8.360 nan 0.000 0.422 65 P HA 0.216 nan 4.420 nan 0.000 0.270 65 P C 0.022 177.361 177.300 0.065 0.000 1.223 65 P CA 0.226 63.377 63.100 0.084 0.000 0.785 65 P CB 0.979 32.711 31.700 0.053 0.000 0.923 66 G N -0.823 108.011 108.800 0.056 0.000 2.368 66 G HA2 0.521 4.481 3.960 -0.000 0.000 0.302 66 G HA3 0.521 4.481 3.960 -0.000 0.000 0.302 66 G C -2.133 172.788 174.900 0.035 0.000 1.329 66 G CA -0.013 45.112 45.100 0.042 0.000 0.935 66 G HN 0.647 nan 8.290 nan 0.000 0.590 67 A N -1.362 121.471 122.820 0.022 0.000 2.612 67 A HA 1.059 5.379 4.320 -0.000 0.000 0.293 67 A C -0.362 177.220 177.584 -0.004 0.000 1.075 67 A CA 0.547 52.585 52.037 0.003 0.000 0.680 67 A CB 1.662 20.653 19.000 -0.014 0.000 1.279 67 A HN 2.304 nan 8.150 nan 0.000 0.411 68 T N -0.619 113.920 114.554 -0.025 0.000 2.677 68 T HA 0.732 5.082 4.350 -0.000 0.000 0.305 68 T C -1.352 173.310 174.700 -0.062 0.000 1.569 68 T CA 0.448 62.531 62.100 -0.028 0.000 0.984 68 T CB 1.441 70.295 68.868 -0.024 0.000 1.629 68 T HN 2.160 nan 8.240 nan 0.000 0.494 69 T N -0.226 114.304 114.554 -0.040 0.000 2.886 69 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 69 T C -0.510 174.177 174.700 -0.020 0.000 1.012 69 T CA -0.335 61.741 62.100 -0.041 0.000 0.982 69 T CB 0.999 69.894 68.868 0.046 0.000 1.018 69 T HN 1.274 nan 8.240 nan 0.000 0.451 70 V N -0.834 119.062 119.914 -0.029 0.000 3.078 70 V HA 0.828 4.948 4.120 -0.000 0.000 0.311 70 V C -3.217 172.902 176.094 0.041 0.000 1.138 70 V CA -3.368 58.913 62.300 -0.032 0.000 1.007 70 V CB 1.598 33.323 31.823 -0.163 0.000 1.045 70 V HN 0.681 nan 8.190 nan 0.000 0.432 71 P HA 0.190 nan 4.420 nan 0.000 0.260 71 P C 0.726 178.123 177.300 0.162 0.000 1.185 71 P CA 0.894 64.056 63.100 0.103 0.000 0.763 71 P CB 0.939 32.694 31.700 0.091 0.000 0.776 72 A N 5.757 128.676 122.820 0.166 0.000 1.858 72 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 72 A C 2.236 179.953 177.584 0.222 0.000 1.190 72 A CA 1.371 53.529 52.037 0.203 0.000 0.617 72 A CB -0.876 18.213 19.000 0.148 0.000 0.827 72 A HN 0.465 nan 8.150 nan 0.000 0.443 73 R N 0.261 120.861 120.500 0.167 0.000 2.083 73 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 73 R C 1.999 178.416 176.300 0.195 0.000 1.137 73 R CA 2.155 58.361 56.100 0.177 0.000 0.951 73 R CB -0.429 29.942 30.300 0.119 0.000 0.851 73 R HN 0.577 nan 8.270 nan 0.000 0.434 74 K N -0.471 120.025 120.400 0.161 0.000 2.026 74 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 74 K C 2.044 178.736 176.600 0.153 0.000 1.048 74 K CA 1.509 57.873 56.287 0.127 0.000 0.929 74 K CB -0.383 32.185 32.500 0.112 0.000 0.713 74 K HN 0.086 nan 8.250 nan 0.000 0.439 75 F N 1.100 121.068 119.950 0.030 0.000 2.134 75 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 75 F C 1.937 177.746 175.800 0.015 0.000 1.097 75 F CA 0.853 58.856 58.000 0.005 0.000 1.264 75 F CB -0.561 38.474 39.000 0.057 0.000 1.001 75 F HN -0.037 nan 8.300 nan 0.000 0.479 76 F N 1.335 121.238 119.950 -0.078 0.000 2.102 76 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 76 F C 2.185 177.888 175.800 -0.161 0.000 1.105 76 F CA 2.111 60.003 58.000 -0.180 0.000 1.239 76 F CB -0.828 38.130 39.000 -0.070 0.000 0.991 76 F HN -0.107 nan 8.300 nan 0.000 0.474 77 D N 0.756 121.028 120.400 -0.215 0.000 2.144 77 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 77 D C 2.474 178.557 176.300 -0.362 0.000 0.984 77 D CA 1.739 55.555 54.000 -0.305 0.000 0.834 77 D CB -0.421 40.340 40.800 -0.065 0.000 0.955 77 D HN 0.384 nan 8.370 nan 0.000 0.465 78 I N 0.357 120.721 120.570 -0.343 0.000 2.179 78 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 78 I C 2.414 178.260 176.117 -0.452 0.000 1.088 78 I CA 0.732 61.741 61.300 -0.485 0.000 1.357 78 I CB -0.169 37.442 38.000 -0.648 0.000 1.051 78 I HN 0.077 nan 8.210 nan 0.000 0.409 79 C N 0.119 119.131 119.300 -0.481 0.000 2.429 79 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 79 C C 2.920 177.673 174.990 -0.395 0.000 1.262 79 C CA 0.793 59.555 59.018 -0.427 0.000 1.733 79 C CB -1.201 26.233 27.740 -0.512 0.000 2.010 79 C HN 0.452 nan 8.230 nan 0.000 0.483 80 R N 0.751 120.908 120.500 -0.570 0.000 2.189 80 R HA -0.042 4.298 4.340 -0.000 0.000 0.218 80 R C 2.124 178.250 176.300 -0.290 0.000 1.074 80 R CA 1.370 57.180 56.100 -0.484 0.000 0.991 80 R CB -0.417 29.430 30.300 -0.755 0.000 0.883 80 R HN 0.571 nan 8.270 nan 0.000 0.457 81 G N 0.608 109.246 108.800 -0.270 0.000 2.572 81 G HA2 0.025 3.985 3.960 -0.000 0.000 0.216 81 G HA3 0.025 3.985 3.960 -0.000 0.000 0.216 81 G C 0.575 175.417 174.900 -0.097 0.000 1.133 81 G CA -0.119 44.888 45.100 -0.155 0.000 0.791 81 G HN 0.100 nan 8.290 nan 0.000 0.538 82 L N 1.585 122.740 121.223 -0.113 0.000 2.453 82 L HA 0.270 4.610 4.340 -0.000 0.000 0.261 82 L C -1.496 175.344 176.870 -0.050 0.000 1.179 82 L CA -1.875 52.934 54.840 -0.053 0.000 0.813 82 L CB 0.794 42.822 42.059 -0.052 0.000 1.110 82 L HN -0.006 nan 8.230 nan 0.000 0.466 83 P HA -0.007 nan 4.420 nan 0.000 0.272 83 P C -0.742 176.538 177.300 -0.034 0.000 1.230 83 P CA -0.386 62.700 63.100 -0.025 0.000 0.788 83 P CB 0.549 32.242 31.700 -0.010 0.000 0.949 84 E N 0.541 120.721 120.200 -0.033 0.000 2.442 84 E HA 0.155 4.505 4.350 -0.000 0.000 0.262 84 E C 1.123 177.702 176.600 -0.036 0.000 1.004 84 E CA 0.811 57.189 56.400 -0.037 0.000 0.928 84 E CB -0.567 29.116 29.700 -0.030 0.000 0.937 84 E HN 0.786 nan 8.360 nan 0.000 0.446 85 G N 2.344 111.116 108.800 -0.048 0.000 2.162 85 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 85 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 85 G C 0.285 175.164 174.900 -0.035 0.000 0.976 85 G CA 0.183 45.255 45.100 -0.047 0.000 0.655 85 G HN 0.864 nan 8.290 nan 0.000 0.533 86 A N -0.083 122.719 122.820 -0.030 0.000 2.462 86 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 86 A C 0.492 178.073 177.584 -0.005 0.000 1.076 86 A CA 0.155 52.184 52.037 -0.013 0.000 0.773 86 A CB 0.360 19.354 19.000 -0.010 0.000 1.010 86 A HN 0.293 nan 8.150 nan 0.000 0.493 87 E N 1.491 121.700 120.200 0.015 0.000 2.146 87 E HA 0.382 4.732 4.350 -0.000 0.000 0.282 87 E C -0.865 175.763 176.600 0.047 0.000 0.989 87 E CA 0.022 56.442 56.400 0.033 0.000 0.799 87 E CB 1.288 31.010 29.700 0.036 0.000 1.088 87 E HN 0.509 nan 8.360 nan 0.000 0.397 88 I N 2.285 122.895 120.570 0.067 0.000 2.330 88 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 88 I C 0.139 176.293 176.117 0.061 0.000 1.025 88 I CA -0.708 60.638 61.300 0.076 0.000 1.197 88 I CB 1.382 39.435 38.000 0.089 0.000 1.358 88 I HN 0.344 nan 8.210 nan 0.000 0.467 89 A N 6.718 129.548 122.820 0.017 0.000 2.309 89 A HA 0.778 5.098 4.320 -0.000 0.000 0.298 89 A C -0.438 177.051 177.584 -0.159 0.000 1.165 89 A CA -0.391 51.611 52.037 -0.058 0.000 0.821 89 A CB 0.936 19.923 19.000 -0.022 0.000 1.102 89 A HN 0.472 nan 8.150 nan 0.000 0.500 90 V N 2.432 122.104 119.914 -0.402 0.000 2.656 90 V HA 0.596 4.716 4.120 -0.000 0.000 0.307 90 V C -0.299 175.564 176.094 -0.385 0.000 1.051 90 V CA -0.464 61.529 62.300 -0.513 0.000 0.893 90 V CB 1.678 32.835 31.823 -1.111 0.000 0.999 90 V HN 0.995 nan 8.190 nan 0.000 0.426 91 Q N 3.480 123.147 119.800 -0.221 0.000 2.269 91 Q HA 0.524 4.864 4.340 -0.000 0.000 0.263 91 Q C -1.862 174.084 176.000 -0.091 0.000 0.983 91 Q CA -0.769 54.959 55.803 -0.125 0.000 0.777 91 Q CB 2.204 30.895 28.738 -0.078 0.000 1.273 91 Q HN 0.693 nan 8.270 nan 0.000 0.440 92 L N 3.675 124.860 121.223 -0.063 0.000 2.367 92 L HA 0.316 4.656 4.340 -0.000 0.000 0.275 92 L C -0.845 176.009 176.870 -0.028 0.000 1.129 92 L CA 0.930 55.745 54.840 -0.043 0.000 0.839 92 L CB 0.799 42.846 42.059 -0.020 0.000 1.133 92 L HN 0.733 nan 8.230 nan 0.000 0.453 93 E N 4.751 124.935 120.200 -0.026 0.000 3.386 93 E HA 0.421 4.771 4.350 -0.000 0.000 0.236 93 E C 0.505 177.098 176.600 -0.012 0.000 1.227 93 E CA 0.141 56.531 56.400 -0.017 0.000 0.970 93 E CB 0.490 30.180 29.700 -0.018 0.000 1.343 93 E HN 1.004 nan 8.360 nan 0.000 0.397 94 G N 3.226 112.021 108.800 -0.008 0.000 2.565 94 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.295 94 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.295 94 G C 0.762 175.659 174.900 -0.004 0.000 1.165 94 G CA 0.547 45.645 45.100 -0.004 0.000 0.977 94 G HN 0.612 nan 8.290 nan 0.000 0.546 95 E N 1.101 121.300 120.200 -0.001 0.000 2.485 95 E HA 0.284 4.634 4.350 -0.000 0.000 0.194 95 E C 0.833 177.432 176.600 -0.002 0.000 1.098 95 E CA 0.368 56.768 56.400 0.001 0.000 0.878 95 E CB 0.089 29.793 29.700 0.005 0.000 0.939 95 E HN 0.393 nan 8.360 nan 0.000 0.503 96 R N 0.672 121.167 120.500 -0.009 0.000 2.698 96 R HA 0.402 4.742 4.340 -0.000 0.000 0.275 96 R C -1.324 174.958 176.300 -0.030 0.000 1.001 96 R CA -0.741 55.351 56.100 -0.014 0.000 0.896 96 R CB 1.989 32.286 30.300 -0.006 0.000 1.218 96 R HN 0.207 nan 8.270 nan 0.000 0.462 97 M N 3.987 123.559 119.600 -0.047 0.000 2.181 97 M HA 0.426 4.906 4.480 -0.000 0.000 0.323 97 M C -1.228 175.034 176.300 -0.063 0.000 1.004 97 M CA -0.667 54.585 55.300 -0.080 0.000 0.941 97 M CB 1.131 33.645 32.600 -0.143 0.000 1.579 97 M HN 0.436 nan 8.290 nan 0.000 0.427 98 L N 5.116 126.307 121.223 -0.054 0.000 2.375 98 L HA 0.665 5.005 4.340 -0.000 0.000 0.271 98 L C -0.800 176.060 176.870 -0.016 0.000 1.107 98 L CA -0.913 53.918 54.840 -0.016 0.000 0.806 98 L CB 1.510 43.558 42.059 -0.019 0.000 1.146 98 L HN 0.433 nan 8.230 nan 0.000 0.447 99 V N 3.118 123.082 119.914 0.083 0.000 2.577 99 V HA 0.549 4.668 4.120 -0.000 0.000 0.303 99 V C -0.413 175.804 176.094 0.206 0.000 1.042 99 V CA -0.671 61.714 62.300 0.142 0.000 0.872 99 V CB 2.113 34.088 31.823 0.253 0.000 0.998 99 V HN 0.758 nan 8.190 nan 0.000 0.423 100 R N 2.518 123.094 120.500 0.127 0.000 2.621 100 R HA 0.757 5.097 4.340 -0.000 0.000 0.284 100 R C -1.339 175.021 176.300 0.100 0.000 0.998 100 R CA -0.239 55.926 56.100 0.107 0.000 0.895 100 R CB 2.062 32.383 30.300 0.034 0.000 1.195 100 R HN 0.718 nan 8.270 nan 0.000 0.450 101 S N 2.597 118.364 115.700 0.111 0.000 2.720 101 S HA 0.547 5.017 4.470 -0.000 0.000 0.278 101 S C 0.142 174.779 174.600 0.061 0.000 1.172 101 S CA 0.494 58.744 58.200 0.084 0.000 1.019 101 S CB 1.104 64.363 63.200 0.099 0.000 1.049 101 S HN 1.117 nan 8.310 nan 0.000 0.483 102 G N 5.075 113.896 108.800 0.035 0.000 2.591 102 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.298 102 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.298 102 G C 0.089 174.995 174.900 0.010 0.000 1.195 102 G CA 0.416 45.528 45.100 0.021 0.000 0.989 102 G HN 0.780 nan 8.290 nan 0.000 0.551 103 R N 0.627 121.128 120.500 0.001 0.000 2.696 103 R HA 0.431 4.771 4.340 -0.000 0.000 0.355 103 R C -0.295 175.976 176.300 -0.048 0.000 1.138 103 R CA 0.168 56.254 56.100 -0.023 0.000 1.059 103 R CB 0.575 30.861 30.300 -0.024 0.000 1.380 103 R HN 0.237 nan 8.270 nan 0.000 0.578 104 S N 1.240 116.925 115.700 -0.024 0.000 2.438 104 S HA 0.437 4.907 4.470 -0.000 0.000 0.316 104 S C -0.219 174.284 174.600 -0.162 0.000 1.084 104 S CA -0.615 57.545 58.200 -0.067 0.000 1.107 104 S CB 1.411 64.713 63.200 0.170 0.000 0.981 104 S HN 0.239 nan 8.310 nan 0.000 0.466 105 R N 1.979 122.166 120.500 -0.520 0.000 2.670 105 R HA 0.694 5.034 4.340 -0.000 0.000 0.289 105 R C -1.473 174.295 176.300 -0.887 0.000 0.965 105 R CA -0.527 55.312 56.100 -0.436 0.000 0.899 105 R CB 1.450 31.612 30.300 -0.230 0.000 1.173 105 R HN 0.466 nan 8.270 nan 0.000 0.456 106 F N -0.505 119.450 119.950 0.008 0.000 2.599 106 F HA 0.458 4.985 4.527 -0.000 0.000 0.311 106 F C 0.028 175.828 175.800 -0.000 0.000 1.076 106 F CA -0.902 57.106 58.000 0.014 0.000 0.937 106 F CB 2.463 41.487 39.000 0.040 0.000 1.282 106 F HN 0.270 nan 8.300 nan 0.000 0.460 107 S N 2.652 118.454 115.700 0.170 0.000 2.756 107 S HA 0.751 5.221 4.470 -0.000 0.000 0.303 107 S C -1.336 173.313 174.600 0.082 0.000 1.135 107 S CA -0.446 57.804 58.200 0.084 0.000 1.066 107 S CB 0.275 63.497 63.200 0.037 0.000 1.008 107 S HN 0.581 nan 8.310 nan 0.000 0.482 108 L N 3.943 125.193 121.223 0.044 0.000 2.325 108 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 108 L C 0.555 177.428 176.870 0.004 0.000 1.023 108 L CA -0.864 53.992 54.840 0.026 0.000 0.811 108 L CB 2.044 44.096 42.059 -0.012 0.000 1.249 108 L HN 0.741 nan 8.230 nan 0.000 0.431 109 S N 0.385 116.095 115.700 0.016 0.000 2.549 109 S HA 0.405 4.875 4.470 -0.000 0.000 0.279 109 S C 0.077 174.680 174.600 0.005 0.000 1.321 109 S CA -0.679 57.529 58.200 0.013 0.000 1.054 109 S CB 0.910 64.124 63.200 0.023 0.000 0.899 109 S HN 0.705 nan 8.310 nan 0.000 0.497 110 T N 0.836 115.390 114.554 0.001 0.000 2.937 110 T HA 0.749 5.099 4.350 -0.000 0.000 0.283 110 T C -0.421 174.291 174.700 0.019 0.000 1.012 110 T CA -1.071 61.029 62.100 0.001 0.000 0.997 110 T CB 0.645 69.506 68.868 -0.012 0.000 1.136 110 T HN 0.649 nan 8.240 nan 0.000 0.551 111 L N 0.901 122.142 121.223 0.030 0.000 2.431 111 L HA 0.474 4.814 4.340 -0.000 0.000 0.266 111 L C -2.682 174.218 176.870 0.050 0.000 0.978 111 L CA -2.727 52.141 54.840 0.046 0.000 0.822 111 L CB 2.783 44.883 42.059 0.068 0.000 1.310 111 L HN 0.491 nan 8.230 nan 0.000 0.409 112 P HA -0.090 nan 4.420 nan 0.000 0.261 112 P C 0.211 177.553 177.300 0.069 0.000 1.165 112 P CA 0.308 63.436 63.100 0.047 0.000 0.759 112 P CB 0.766 32.491 31.700 0.042 0.000 0.772 113 A N 4.585 127.435 122.820 0.049 0.000 2.019 113 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 113 A C 2.078 179.722 177.584 0.099 0.000 1.164 113 A CA 1.874 53.943 52.037 0.054 0.000 0.644 113 A CB -1.255 17.750 19.000 0.010 0.000 0.805 113 A HN 0.555 nan 8.150 nan 0.000 0.449 114 A N -0.181 122.684 122.820 0.075 0.000 2.067 114 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 114 A C 1.497 179.134 177.584 0.088 0.000 1.158 114 A CA 1.627 53.708 52.037 0.073 0.000 0.661 114 A CB -0.368 18.660 19.000 0.047 0.000 0.801 114 A HN 0.416 nan 8.150 nan 0.000 0.452 115 D N -1.515 118.944 120.400 0.099 0.000 2.347 115 D HA 0.070 4.710 4.640 -0.000 0.000 0.215 115 D C 0.147 176.512 176.300 0.109 0.000 0.976 115 D CA 0.117 54.167 54.000 0.084 0.000 0.884 115 D CB -0.223 40.620 40.800 0.072 0.000 0.915 115 D HN 0.391 nan 8.370 nan 0.000 0.526 116 F N 1.992 121.948 119.950 0.012 0.000 2.541 116 F HA 0.193 4.720 4.527 -0.000 0.000 0.378 116 F C -1.971 173.835 175.800 0.011 0.000 1.068 116 F CA -2.211 55.797 58.000 0.013 0.000 1.199 116 F CB 0.573 39.583 39.000 0.016 0.000 1.091 116 F HN -0.205 nan 8.300 nan 0.000 0.555 117 P HA 0.158 nan 4.420 nan 0.000 0.281 117 P C -1.173 175.968 177.300 -0.264 0.000 1.286 117 P CA -0.132 62.780 63.100 -0.313 0.000 0.772 117 P CB 0.509 32.014 31.700 -0.326 0.000 0.862 118 N N 2.649 121.317 118.700 -0.053 0.000 2.361 118 N HA 0.328 5.068 4.740 -0.000 0.000 0.302 118 N C -0.401 175.114 175.510 0.009 0.000 1.074 118 N CA -0.605 52.462 53.050 0.030 0.000 0.850 118 N CB 1.270 39.819 38.487 0.104 0.000 1.228 118 N HN 0.132 nan 8.380 nan 0.000 0.491 119 L N 1.664 122.899 121.223 0.021 0.000 2.467 119 L HA 0.021 4.361 4.340 -0.000 0.000 0.270 119 L C 1.096 178.005 176.870 0.064 0.000 1.205 119 L CA 0.118 54.970 54.840 0.020 0.000 0.828 119 L CB 0.140 42.209 42.059 0.016 0.000 1.101 119 L HN 0.523 nan 8.230 nan 0.000 0.479 120 D N 0.589 121.026 120.400 0.061 0.000 2.382 120 D HA 0.047 4.687 4.640 -0.000 0.000 0.240 120 D C -0.523 175.882 176.300 0.176 0.000 1.146 120 D CA -0.594 53.457 54.000 0.085 0.000 0.897 120 D CB 0.528 41.363 40.800 0.059 0.000 1.197 120 D HN 0.517 nan 8.370 nan 0.000 0.432 121 D N 0.284 120.762 120.400 0.129 0.000 2.382 121 D HA 0.201 4.841 4.640 -0.000 0.000 0.240 121 D C 0.287 176.723 176.300 0.226 0.000 1.146 121 D CA -0.355 53.713 54.000 0.113 0.000 0.897 121 D CB 0.274 41.082 40.800 0.013 0.000 1.197 121 D HN 0.645 nan 8.370 nan 0.000 0.432 122 W N -1.068 120.219 121.300 -0.022 0.000 2.961 122 W HA 0.499 5.159 4.660 -0.000 0.000 0.368 122 W C -1.594 174.915 176.519 -0.016 0.000 1.213 122 W CA -0.939 56.394 57.345 -0.020 0.000 1.173 122 W CB 0.312 29.756 29.460 -0.027 0.000 1.487 122 W HN 0.184 nan 8.180 nan 0.000 0.585 123 Q N 1.253 121.193 119.800 0.233 0.000 2.340 123 Q HA 0.433 4.773 4.340 -0.000 0.000 0.268 123 Q C -0.356 175.773 176.000 0.215 0.000 1.031 123 Q CA -0.672 55.155 55.803 0.040 0.000 0.804 123 Q CB 2.272 31.038 28.738 0.047 0.000 1.286 123 Q HN 0.375 nan 8.270 nan 0.000 0.448 124 S N 1.343 117.054 115.700 0.018 0.000 2.548 124 S HA 0.126 4.596 4.470 -0.000 0.000 0.277 124 S C 0.158 174.821 174.600 0.105 0.000 1.315 124 S CA -0.123 58.179 58.200 0.171 0.000 1.050 124 S CB 0.474 63.694 63.200 0.033 0.000 0.918 124 S HN 0.653 nan 8.310 nan 0.000 0.497 125 E N 2.328 122.590 120.200 0.103 0.000 2.465 125 E HA 0.248 4.598 4.350 -0.000 0.000 0.209 125 E C -0.404 176.181 176.600 -0.024 0.000 0.951 125 E CA -0.009 56.398 56.400 0.012 0.000 0.997 125 E CB 1.202 30.878 29.700 -0.039 0.000 1.025 125 E HN 0.356 nan 8.360 nan 0.000 0.500 126 V N 1.766 121.689 119.914 0.014 0.000 2.969 126 V HA 0.299 4.419 4.120 -0.000 0.000 0.304 126 V C -2.134 174.038 176.094 0.130 0.000 1.192 126 V CA -0.584 61.748 62.300 0.053 0.000 0.962 126 V CB 2.083 33.912 31.823 0.010 0.000 1.045 126 V HN 0.268 nan 8.190 nan 0.000 0.428 127 E N 5.767 126.063 120.200 0.160 0.000 2.352 127 E HA 0.755 5.105 4.350 -0.000 0.000 0.280 127 E C -1.651 175.070 176.600 0.202 0.000 0.930 127 E CA -0.763 55.693 56.400 0.094 0.000 0.765 127 E CB 2.325 32.030 29.700 0.008 0.000 1.219 127 E HN 0.818 nan 8.360 nan 0.000 0.434 128 F N -1.108 118.877 119.950 0.058 0.000 2.685 128 F HA 0.798 5.325 4.527 -0.000 0.000 0.315 128 F C -0.952 174.883 175.800 0.058 0.000 1.126 128 F CA -0.783 57.247 58.000 0.050 0.000 0.950 128 F CB 1.526 40.558 39.000 0.054 0.000 1.360 128 F HN 0.521 nan 8.300 nan 0.000 0.469 129 T N 0.515 115.191 114.554 0.204 0.000 2.907 129 T HA 0.880 5.230 4.350 -0.000 0.000 0.292 129 T C -0.963 173.858 174.700 0.201 0.000 1.043 129 T CA -0.650 61.515 62.100 0.109 0.000 1.003 129 T CB 1.942 70.847 68.868 0.061 0.000 1.084 129 T HN 1.530 nan 8.240 nan 0.000 0.483 130 L N -2.015 119.298 121.223 0.150 0.000 2.869 130 L HA 0.789 5.129 4.340 -0.000 0.000 0.265 130 L C -3.458 173.473 176.870 0.101 0.000 1.011 130 L CA -2.681 52.247 54.840 0.147 0.000 0.913 130 L CB 1.233 43.419 42.059 0.212 0.000 1.490 130 L HN 0.341 nan 8.230 nan 0.000 0.410 131 P HA 0.216 nan 4.420 nan 0.000 0.271 131 P C -0.203 177.137 177.300 0.067 0.000 1.216 131 P CA -0.101 63.037 63.100 0.063 0.000 0.776 131 P CB 0.861 32.591 31.700 0.050 0.000 0.881 132 Q N 2.363 122.197 119.800 0.058 0.000 2.181 132 Q HA -0.220 4.120 4.340 -0.000 0.000 0.205 132 Q C 1.936 177.964 176.000 0.047 0.000 0.980 132 Q CA 1.890 57.726 55.803 0.054 0.000 0.862 132 Q CB -0.532 28.232 28.738 0.043 0.000 0.905 132 Q HN 0.561 nan 8.270 nan 0.000 0.429 133 A N 0.554 123.398 122.820 0.040 0.000 1.933 133 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 133 A C 2.205 179.810 177.584 0.035 0.000 1.175 133 A CA 1.817 53.874 52.037 0.032 0.000 0.628 133 A CB -0.700 18.317 19.000 0.028 0.000 0.814 133 A HN 0.314 nan 8.150 nan 0.000 0.444 134 T N -0.584 113.996 114.554 0.044 0.000 2.737 134 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 134 T C 1.927 176.655 174.700 0.047 0.000 1.038 134 T CA 1.813 63.938 62.100 0.042 0.000 1.144 134 T CB -0.251 68.648 68.868 0.053 0.000 0.866 134 T HN 0.437 nan 8.240 nan 0.000 0.434 135 M N 1.367 121.012 119.600 0.076 0.000 2.175 135 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 135 M C 2.043 178.381 176.300 0.064 0.000 1.063 135 M CA 1.525 56.884 55.300 0.098 0.000 1.119 135 M CB -0.331 32.354 32.600 0.142 0.000 1.377 135 M HN -0.129 nan 8.290 nan 0.000 0.415 136 K N -0.054 120.375 120.400 0.048 0.000 2.057 136 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 136 K C 2.207 178.822 176.600 0.025 0.000 1.049 136 K CA 1.619 57.925 56.287 0.032 0.000 0.931 136 K CB -0.275 32.239 32.500 0.023 0.000 0.714 136 K HN 0.332 nan 8.250 nan 0.000 0.440 137 R N 1.108 121.620 120.500 0.020 0.000 2.066 137 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 137 R C 2.393 178.692 176.300 -0.002 0.000 1.131 137 R CA 1.310 57.420 56.100 0.016 0.000 0.955 137 R CB -0.791 29.516 30.300 0.013 0.000 0.851 137 R HN 0.192 nan 8.270 nan 0.000 0.432 138 L N -0.024 121.181 121.223 -0.030 0.000 2.042 138 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 138 L C 2.410 179.214 176.870 -0.111 0.000 1.076 138 L CA 1.584 56.365 54.840 -0.097 0.000 0.749 138 L CB -0.382 41.592 42.059 -0.142 0.000 0.893 138 L HN 0.251 nan 8.230 nan 0.000 0.432 139 I N -0.784 119.754 120.570 -0.053 0.000 2.235 139 I HA -0.216 3.954 4.170 -0.000 0.000 0.241 139 I C 2.391 178.521 176.117 0.022 0.000 1.085 139 I CA 1.091 62.378 61.300 -0.021 0.000 1.378 139 I CB -0.338 37.691 38.000 0.049 0.000 1.076 139 I HN 0.238 nan 8.210 nan 0.000 0.415 140 E N 1.203 121.431 120.200 0.046 0.000 2.160 140 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 140 E C 2.220 178.916 176.600 0.159 0.000 0.991 140 E CA 1.253 57.706 56.400 0.089 0.000 0.810 140 E CB -0.157 29.582 29.700 0.064 0.000 0.742 140 E HN 0.505 nan 8.360 nan 0.000 0.466 141 A N 0.950 123.848 122.820 0.131 0.000 2.066 141 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 141 A C 2.198 179.961 177.584 0.298 0.000 1.157 141 A CA 1.758 53.933 52.037 0.230 0.000 0.670 141 A CB -0.234 18.839 19.000 0.122 0.000 0.804 141 A HN 0.361 nan 8.150 nan 0.000 0.453 142 T N -3.921 110.681 114.554 0.080 0.000 2.969 142 T HA 0.069 4.419 4.350 -0.000 0.000 0.258 142 T C 1.617 176.167 174.700 -0.250 0.000 0.962 142 T CA 0.613 62.632 62.100 -0.134 0.000 0.903 142 T CB -0.255 68.485 68.868 -0.214 0.000 1.177 142 T HN 0.406 nan 8.240 nan 0.000 0.511 143 Q N 2.656 122.421 119.800 -0.060 0.000 2.152 143 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 143 Q C 1.780 177.745 176.000 -0.058 0.000 0.985 143 Q CA 2.214 57.994 55.803 -0.039 0.000 0.863 143 Q CB -1.666 27.099 28.738 0.045 0.000 0.904 143 Q HN 0.731 nan 8.270 nan 0.000 0.422 144 F N -0.560 119.409 119.950 0.031 0.000 2.408 144 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 144 F C 1.298 177.117 175.800 0.032 0.000 1.090 144 F CA 0.777 58.800 58.000 0.039 0.000 1.427 144 F CB -0.509 38.518 39.000 0.045 0.000 1.070 144 F HN 0.006 nan 8.300 nan 0.000 0.549 145 S N 0.396 115.660 115.700 -0.726 0.000 2.575 145 S HA 0.249 4.719 4.470 -0.000 0.000 0.215 145 S C 0.811 175.269 174.600 -0.238 0.000 0.966 145 S CA -0.283 57.630 58.200 -0.478 0.000 0.911 145 S CB -0.327 62.520 63.200 -0.587 0.000 0.780 145 S HN 0.249 nan 8.310 nan 0.000 0.514 146 M N 1.813 121.292 119.600 -0.203 0.000 2.245 146 M HA 0.288 4.768 4.480 -0.000 0.000 0.330 146 M C 0.550 176.714 176.300 -0.226 0.000 1.098 146 M CA -0.262 54.946 55.300 -0.154 0.000 1.172 146 M CB 0.335 32.855 32.600 -0.135 0.000 1.467 146 M HN 0.165 nan 8.290 nan 0.000 0.454 147 A N 1.887 124.603 122.820 -0.174 0.000 2.313 147 A HA 0.239 4.559 4.320 -0.000 0.000 0.261 147 A C 0.489 177.926 177.584 -0.245 0.000 1.090 147 A CA -0.324 51.614 52.037 -0.165 0.000 0.807 147 A CB 0.260 19.178 19.000 -0.138 0.000 1.055 147 A HN 0.973 nan 8.150 nan 0.000 0.492 148 H N -0.264 118.796 119.070 -0.017 0.000 2.332 148 H HA 0.140 4.696 4.556 -0.000 0.000 0.316 148 H C 0.175 175.502 175.328 -0.001 0.000 1.069 148 H CA 0.993 57.043 56.048 0.003 0.000 1.484 148 H CB 0.358 30.129 29.762 0.015 0.000 1.496 148 H HN 0.745 nan 8.280 nan 0.000 0.623 149 Q N 1.379 121.252 119.800 0.122 0.000 2.333 149 Q HA 0.133 4.473 4.340 -0.000 0.000 0.365 149 Q C -0.791 175.202 176.000 -0.013 0.000 0.882 149 Q CA -0.229 55.608 55.803 0.057 0.000 1.124 149 Q CB 1.682 30.457 28.738 0.063 0.000 1.345 149 Q HN 0.240 nan 8.270 nan 0.000 0.409 150 D N 0.358 120.715 120.400 -0.072 0.000 2.382 150 D HA 0.020 4.660 4.640 -0.000 0.000 0.245 150 D C 1.220 177.342 176.300 -0.295 0.000 1.120 150 D CA 0.048 53.945 54.000 -0.171 0.000 0.890 150 D CB 1.921 42.585 40.800 -0.226 0.000 1.201 150 D HN 0.006 nan 8.370 nan 0.000 0.433 151 V N 4.141 123.854 119.914 -0.334 0.000 2.720 151 V HA -0.174 3.946 4.120 -0.000 0.000 0.256 151 V C 1.332 176.892 176.094 -0.890 0.000 1.082 151 V CA 1.356 63.339 62.300 -0.529 0.000 1.101 151 V CB -0.485 31.147 31.823 -0.320 0.000 0.693 151 V HN 0.420 nan 8.190 nan 0.000 0.479 152 R N -0.121 119.977 120.500 -0.670 0.000 2.608 152 R HA 0.177 4.517 4.340 -0.000 0.000 0.277 152 R C 0.898 176.679 176.300 -0.864 0.000 1.341 152 R CA -0.224 55.364 56.100 -0.854 0.000 1.199 152 R CB -0.118 29.673 30.300 -0.848 0.000 1.156 152 R HN 0.388 nan 8.270 nan 0.000 0.558 153 Y N 1.030 121.113 120.300 -0.362 0.000 2.139 153 Y HA -0.372 4.178 4.550 -0.000 0.000 0.282 153 Y C 2.001 177.806 175.900 -0.158 0.000 1.179 153 Y CA 1.616 59.603 58.100 -0.189 0.000 1.161 153 Y CB -0.841 37.587 38.460 -0.052 0.000 0.970 153 Y HN 0.600 nan 8.280 nan 0.000 0.511 154 Y N -1.668 118.716 120.300 0.140 0.000 2.569 154 Y HA -0.049 4.501 4.550 -0.000 0.000 0.293 154 Y C 1.566 177.537 175.900 0.118 0.000 1.144 154 Y CA 0.593 58.772 58.100 0.132 0.000 1.321 154 Y CB -1.301 37.215 38.460 0.093 0.000 0.982 154 Y HN 0.127 nan 8.280 nan 0.000 0.558 155 L N 0.466 121.556 121.223 -0.221 0.000 2.477 155 L HA 0.061 4.401 4.340 -0.000 0.000 0.220 155 L C 0.371 177.232 176.870 -0.015 0.000 1.106 155 L CA 0.349 55.120 54.840 -0.115 0.000 0.851 155 L CB -0.367 41.503 42.059 -0.315 0.000 0.994 155 L HN 0.236 nan 8.230 nan 0.000 0.462 156 N N 0.937 119.628 118.700 -0.015 0.000 3.111 156 N HA 0.242 4.982 4.740 -0.000 0.000 0.302 156 N C 0.323 175.864 175.510 0.052 0.000 1.317 156 N CA -0.110 52.941 53.050 0.002 0.000 1.151 156 N CB 0.295 38.797 38.487 0.025 0.000 1.456 156 N HN 0.294 nan 8.380 nan 0.000 0.547 157 G N 0.056 108.913 108.800 0.094 0.000 2.428 157 G HA2 0.386 4.346 3.960 -0.000 0.000 0.305 157 G HA3 0.386 4.346 3.960 -0.000 0.000 0.305 157 G C -1.890 173.093 174.900 0.139 0.000 1.260 157 G CA -0.736 44.431 45.100 0.111 0.000 0.853 157 G HN 0.150 nan 8.290 nan 0.000 0.480 158 M N 0.604 120.275 119.600 0.119 0.000 2.327 158 M HA 0.707 5.187 4.480 -0.000 0.000 0.298 158 M C -1.552 174.736 176.300 -0.020 0.000 1.065 158 M CA -0.935 54.391 55.300 0.043 0.000 0.916 158 M CB 2.072 34.755 32.600 0.139 0.000 1.630 158 M HN 0.593 nan 8.290 nan 0.000 0.442 159 L N 4.596 125.539 121.223 -0.468 0.000 2.331 159 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 159 L C -1.815 174.949 176.870 -0.176 0.000 1.106 159 L CA 0.563 55.108 54.840 -0.491 0.000 0.824 159 L CB 0.477 41.883 42.059 -1.088 0.000 1.142 159 L HN 0.593 nan 8.230 nan 0.000 0.443 160 F N 4.063 123.889 119.950 -0.206 0.000 2.427 160 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 160 F C 0.076 175.822 175.800 -0.090 0.000 1.125 160 F CA -0.552 57.387 58.000 -0.101 0.000 0.989 160 F CB 1.343 40.341 39.000 -0.003 0.000 1.165 160 F HN 0.493 nan 8.300 nan 0.000 0.442 161 E N 2.095 122.284 120.200 -0.018 0.000 2.224 161 E HA 0.464 4.814 4.350 -0.000 0.000 0.265 161 E C -1.131 175.441 176.600 -0.046 0.000 0.878 161 E CA -0.690 55.695 56.400 -0.025 0.000 0.759 161 E CB 1.506 31.169 29.700 -0.063 0.000 1.164 161 E HN 0.588 nan 8.360 nan 0.000 0.414 162 T N 1.412 115.955 114.554 -0.020 0.000 2.824 162 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 162 T C -0.288 174.386 174.700 -0.044 0.000 0.995 162 T CA -0.787 61.258 62.100 -0.093 0.000 1.009 162 T CB 1.465 70.254 68.868 -0.131 0.000 0.955 162 T HN 0.520 nan 8.240 nan 0.000 0.452 163 E N 1.719 121.881 120.200 -0.064 0.000 2.349 163 E HA 0.476 4.826 4.350 -0.000 0.000 0.290 163 E C 0.643 177.219 176.600 -0.040 0.000 0.901 163 E CA -0.036 56.345 56.400 -0.031 0.000 0.800 163 E CB 0.717 30.409 29.700 -0.013 0.000 1.303 163 E HN 1.160 nan 8.360 nan 0.000 0.397 164 G N 4.512 113.294 108.800 -0.028 0.000 2.557 164 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.292 164 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.292 164 G C 0.482 175.357 174.900 -0.042 0.000 1.162 164 G CA 0.611 45.695 45.100 -0.027 0.000 0.964 164 G HN 0.674 nan 8.290 nan 0.000 0.541 165 E N 1.395 121.568 120.200 -0.044 0.000 2.603 165 E HA 0.326 4.676 4.350 -0.000 0.000 0.211 165 E C 0.272 176.827 176.600 -0.076 0.000 0.995 165 E CA 0.162 56.530 56.400 -0.053 0.000 0.990 165 E CB 0.711 30.393 29.700 -0.030 0.000 1.036 165 E HN 0.701 nan 8.360 nan 0.000 0.475 166 E N 1.052 121.200 120.200 -0.087 0.000 2.221 166 E HA 0.506 4.856 4.350 -0.000 0.000 0.268 166 E C -1.061 175.446 176.600 -0.154 0.000 0.933 166 E CA -0.840 55.499 56.400 -0.102 0.000 0.809 166 E CB 2.553 32.209 29.700 -0.074 0.000 1.190 166 E HN 0.056 nan 8.360 nan 0.000 0.406 167 L N 2.694 123.819 121.223 -0.163 0.000 2.333 167 L HA 0.529 4.869 4.340 -0.000 0.000 0.280 167 L C -0.892 175.875 176.870 -0.172 0.000 1.004 167 L CA -0.554 54.171 54.840 -0.192 0.000 0.820 167 L CB 1.374 43.320 42.059 -0.189 0.000 1.247 167 L HN 0.520 nan 8.230 nan 0.000 0.416 168 R N 2.435 122.817 120.500 -0.195 0.000 2.750 168 R HA 0.670 5.010 4.340 -0.000 0.000 0.281 168 R C -1.215 174.864 176.300 -0.367 0.000 0.972 168 R CA -0.342 55.604 56.100 -0.255 0.000 0.912 168 R CB 2.126 32.293 30.300 -0.222 0.000 1.187 168 R HN 0.705 nan 8.270 nan 0.000 0.464 169 T N -0.119 114.171 114.554 -0.439 0.000 2.863 169 T HA 0.652 5.002 4.350 -0.000 0.000 0.285 169 T C -0.701 173.733 174.700 -0.444 0.000 1.009 169 T CA -0.703 61.067 62.100 -0.551 0.000 0.989 169 T CB 1.809 70.294 68.868 -0.639 0.000 1.004 169 T HN 0.232 nan 8.240 nan 0.000 0.455 170 V N 0.996 120.653 119.914 -0.428 0.000 2.760 170 V HA 0.898 5.018 4.120 -0.000 0.000 0.309 170 V C -0.353 175.614 176.094 -0.210 0.000 1.077 170 V CA -0.967 61.142 62.300 -0.320 0.000 0.910 170 V CB 1.649 33.328 31.823 -0.240 0.000 1.008 170 V HN 1.423 nan 8.190 nan 0.000 0.424 171 A N 2.336 125.124 122.820 -0.053 0.000 2.455 171 A HA 0.956 5.276 4.320 -0.000 0.000 0.300 171 A C -0.642 176.973 177.584 0.051 0.000 1.040 171 A CA -0.519 51.552 52.037 0.057 0.000 0.697 171 A CB 2.320 21.251 19.000 -0.114 0.000 1.265 171 A HN 0.920 nan 8.150 nan 0.000 0.407 172 T N 0.047 114.655 114.554 0.091 0.000 2.885 172 T HA 0.511 4.861 4.350 -0.000 0.000 0.322 172 T C -1.520 173.118 174.700 -0.103 0.000 1.387 172 T CA 0.174 62.250 62.100 -0.039 0.000 1.041 172 T CB 1.471 70.323 68.868 -0.027 0.000 1.287 172 T HN 0.848 nan 8.240 nan 0.000 0.491 173 D N 0.779 121.088 120.400 -0.152 0.000 2.535 173 D HA 0.341 4.981 4.640 -0.000 0.000 0.229 173 D C 1.411 177.544 176.300 -0.278 0.000 1.238 173 D CA 0.597 54.477 54.000 -0.199 0.000 0.824 173 D CB 0.003 40.698 40.800 -0.175 0.000 1.045 173 D HN 1.142 nan 8.370 nan 0.000 0.500 174 G N 0.584 109.266 108.800 -0.197 0.000 2.241 174 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.244 174 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.244 174 G C 0.953 175.854 174.900 0.001 0.000 0.998 174 G CA 0.417 45.427 45.100 -0.149 0.000 0.621 174 G HN 0.450 nan 8.290 nan 0.000 0.519 175 H N 0.246 119.261 119.070 -0.091 0.000 2.615 175 H HA 0.359 4.915 4.556 -0.000 0.000 0.275 175 H C 1.502 176.721 175.328 -0.182 0.000 0.981 175 H CA 1.501 57.488 56.048 -0.102 0.000 1.252 175 H CB 0.576 30.278 29.762 -0.099 0.000 1.447 175 H HN 0.761 nan 8.280 nan 0.000 0.498 176 R N -0.114 120.306 120.500 -0.134 0.000 2.739 176 R HA 0.636 4.976 4.340 -0.000 0.000 0.271 176 R C -1.625 174.625 176.300 -0.083 0.000 1.010 176 R CA -0.799 55.230 56.100 -0.118 0.000 0.897 176 R CB 1.831 31.990 30.300 -0.236 0.000 1.236 176 R HN 0.056 nan 8.270 nan 0.000 0.466 177 L N -0.052 121.157 121.223 -0.023 0.000 2.393 177 L HA 0.974 5.314 4.340 -0.000 0.000 0.260 177 L C -1.443 175.400 176.870 -0.044 0.000 1.002 177 L CA -0.817 54.002 54.840 -0.035 0.000 0.818 177 L CB 2.430 44.498 42.059 0.014 0.000 1.369 177 L HN 1.016 nan 8.230 nan 0.000 0.412 178 A N 3.156 125.883 122.820 -0.155 0.000 2.422 178 A HA 0.766 5.086 4.320 -0.000 0.000 0.302 178 A C -1.838 175.520 177.584 -0.376 0.000 1.041 178 A CA -0.493 51.356 52.037 -0.313 0.000 0.708 178 A CB 2.021 20.860 19.000 -0.268 0.000 1.257 178 A HN 0.742 nan 8.150 nan 0.000 0.414 179 V N 1.720 121.321 119.914 -0.522 0.000 2.760 179 V HA 0.725 4.845 4.120 -0.000 0.000 0.309 179 V C -1.217 174.589 176.094 -0.480 0.000 1.077 179 V CA -0.361 61.629 62.300 -0.517 0.000 0.910 179 V CB 1.431 32.837 31.823 -0.695 0.000 1.008 179 V HN 1.573 nan 8.190 nan 0.000 0.424 180 C N 5.030 124.092 119.300 -0.397 0.000 2.686 180 C HA 0.871 5.331 4.460 -0.000 0.000 0.318 180 C C -0.373 174.460 174.990 -0.260 0.000 1.160 180 C CA -0.001 58.846 59.018 -0.286 0.000 1.396 180 C CB 1.224 28.837 27.740 -0.211 0.000 1.924 180 C HN 1.125 nan 8.230 nan 0.000 0.471 181 S N 6.106 121.690 115.700 -0.193 0.000 2.538 181 S HA 0.896 5.366 4.470 -0.000 0.000 0.288 181 S C -1.079 173.459 174.600 -0.104 0.000 1.108 181 S CA -0.514 57.592 58.200 -0.156 0.000 0.971 181 S CB 0.949 64.069 63.200 -0.133 0.000 1.041 181 S HN 0.774 nan 8.310 nan 0.000 0.483 182 M N 5.196 124.741 119.600 -0.092 0.000 2.378 182 M HA 0.456 4.936 4.480 -0.000 0.000 0.289 182 M C -2.842 173.426 176.300 -0.054 0.000 1.136 182 M CA -2.105 53.160 55.300 -0.059 0.000 0.917 182 M CB 2.119 34.692 32.600 -0.046 0.000 1.669 182 M HN 0.447 nan 8.290 nan 0.000 0.461 183 P HA 0.400 nan 4.420 nan 0.000 0.282 183 P C 0.003 177.291 177.300 -0.020 0.000 1.249 183 P CA -0.292 62.788 63.100 -0.033 0.000 0.806 183 P CB 0.949 32.636 31.700 -0.021 0.000 0.984 184 I N -2.475 118.081 120.570 -0.024 0.000 4.147 184 I HA 0.422 4.592 4.170 -0.000 0.000 0.329 184 I C 1.021 177.149 176.117 0.019 0.000 1.424 184 I CA -0.241 61.063 61.300 0.007 0.000 1.127 184 I CB -0.189 37.821 38.000 0.016 0.000 1.128 184 I HN 0.508 nan 8.210 nan 0.000 0.417 185 G N 1.868 110.671 108.800 0.005 0.000 2.225 185 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.267 185 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.267 185 G C -0.145 174.765 174.900 0.017 0.000 1.024 185 G CA 0.422 45.529 45.100 0.011 0.000 0.784 185 G HN 0.671 nan 8.290 nan 0.000 0.507 186 Q N -0.341 119.466 119.800 0.011 0.000 2.285 186 Q HA 0.518 4.858 4.340 -0.000 0.000 0.269 186 Q C -0.293 175.706 176.000 -0.000 0.000 1.030 186 Q CA -0.556 55.260 55.803 0.022 0.000 0.788 186 Q CB 2.043 30.817 28.738 0.059 0.000 1.266 186 Q HN 0.212 nan 8.270 nan 0.000 0.438 187 S N 3.308 119.011 115.700 0.005 0.000 2.515 187 S HA 0.246 4.716 4.470 -0.000 0.000 0.285 187 S C -0.402 174.196 174.600 -0.003 0.000 1.265 187 S CA 0.006 58.205 58.200 -0.002 0.000 1.079 187 S CB -0.094 63.108 63.200 0.004 0.000 0.877 187 S HN 0.393 nan 8.310 nan 0.000 0.493 188 L N 7.189 128.397 121.223 -0.024 0.000 2.354 188 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 188 L C -1.995 174.869 176.870 -0.010 0.000 1.005 188 L CA -2.294 52.530 54.840 -0.028 0.000 0.819 188 L CB 2.041 44.037 42.059 -0.105 0.000 1.311 188 L HN 0.482 nan 8.230 nan 0.000 0.423 189 P HA 0.144 nan 4.420 nan 0.000 0.279 189 P C -0.721 176.610 177.300 0.050 0.000 1.239 189 P CA -0.417 62.699 63.100 0.026 0.000 0.789 189 P CB 1.280 32.995 31.700 0.024 0.000 0.933 190 S N 1.784 117.517 115.700 0.056 0.000 2.515 190 S HA 0.159 4.629 4.470 -0.000 0.000 0.285 190 S C 0.002 174.696 174.600 0.157 0.000 1.265 190 S CA 0.576 58.819 58.200 0.071 0.000 1.079 190 S CB -0.714 62.513 63.200 0.046 0.000 0.877 190 S HN 0.623 nan 8.310 nan 0.000 0.493 191 H N 0.731 119.808 119.070 0.011 0.000 3.064 191 H HA 0.570 5.126 4.556 -0.000 0.000 0.352 191 H C -1.362 173.984 175.328 0.029 0.000 1.260 191 H CA -0.373 55.692 56.048 0.028 0.000 1.160 191 H CB 1.469 31.261 29.762 0.049 0.000 1.879 191 H HN 0.521 nan 8.280 nan 0.000 0.544 192 S N 1.733 117.155 115.700 -0.464 0.000 2.572 192 S HA 0.593 5.063 4.470 -0.000 0.000 0.274 192 S C -1.334 173.086 174.600 -0.300 0.000 1.150 192 S CA -0.338 57.715 58.200 -0.246 0.000 0.944 192 S CB 1.243 64.358 63.200 -0.141 0.000 1.071 192 S HN 0.784 nan 8.310 nan 0.000 0.479 193 V N 0.126 119.977 119.914 -0.105 0.000 3.114 193 V HA 0.733 4.853 4.120 -0.000 0.000 0.308 193 V C -1.242 174.844 176.094 -0.013 0.000 1.168 193 V CA -1.024 61.240 62.300 -0.061 0.000 1.015 193 V CB 1.653 33.468 31.823 -0.014 0.000 1.050 193 V HN 0.839 nan 8.190 nan 0.000 0.433 194 I N 2.604 123.172 120.570 -0.003 0.000 2.330 194 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 194 I C -0.403 175.718 176.117 0.007 0.000 1.001 194 I CA -0.905 60.415 61.300 0.032 0.000 1.193 194 I CB 1.803 39.883 38.000 0.133 0.000 1.345 194 I HN 0.458 nan 8.210 nan 0.000 0.461 195 V N 8.307 128.222 119.914 0.001 0.000 2.465 195 V HA 0.262 4.382 4.120 -0.000 0.000 0.279 195 V C -2.107 173.999 176.094 0.020 0.000 1.045 195 V CA -1.839 60.421 62.300 -0.066 0.000 0.938 195 V CB 1.031 32.719 31.823 -0.225 0.000 0.986 195 V HN 0.558 nan 8.190 nan 0.000 0.467 196 P HA 0.083 nan 4.420 nan 0.000 0.266 196 P C 0.836 178.165 177.300 0.048 0.000 1.195 196 P CA -0.028 63.093 63.100 0.035 0.000 0.768 196 P CB 0.550 32.260 31.700 0.017 0.000 0.838 197 R N 4.238 124.764 120.500 0.044 0.000 2.136 197 R HA -0.278 4.062 4.340 -0.000 0.000 0.242 197 R C 1.870 178.189 176.300 0.033 0.000 1.131 197 R CA 2.367 58.484 56.100 0.029 0.000 0.937 197 R CB -0.431 29.871 30.300 0.004 0.000 0.863 197 R HN 0.370 nan 8.270 nan 0.000 0.435 198 K N -0.748 119.675 120.400 0.039 0.000 2.103 198 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 198 K C 1.957 178.588 176.600 0.052 0.000 1.048 198 K CA 1.694 58.006 56.287 0.041 0.000 0.930 198 K CB -0.373 32.154 32.500 0.046 0.000 0.716 198 K HN 0.417 nan 8.250 nan 0.000 0.444 199 G N 0.330 109.189 108.800 0.098 0.000 2.408 199 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 199 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 199 G C 1.448 176.383 174.900 0.057 0.000 1.150 199 G CA 0.723 45.948 45.100 0.209 0.000 0.776 199 G HN 0.188 nan 8.290 nan 0.000 0.542 200 V N 1.672 121.612 119.914 0.044 0.000 2.295 200 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 200 V C 2.795 178.877 176.094 -0.021 0.000 1.049 200 V CA 1.199 63.527 62.300 0.047 0.000 1.024 200 V CB -0.338 31.544 31.823 0.098 0.000 0.648 200 V HN 0.271 nan 8.190 nan 0.000 0.447 201 I N 0.048 120.599 120.570 -0.032 0.000 2.179 201 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 201 I C 2.573 178.605 176.117 -0.140 0.000 1.088 201 I CA 1.637 62.904 61.300 -0.055 0.000 1.357 201 I CB -1.218 36.767 38.000 -0.025 0.000 1.051 201 I HN 0.374 nan 8.210 nan 0.000 0.409 202 E N 1.166 121.238 120.200 -0.214 0.000 2.110 202 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 202 E C 2.038 178.294 176.600 -0.574 0.000 0.988 202 E CA 0.959 57.134 56.400 -0.376 0.000 0.804 202 E CB -0.350 29.095 29.700 -0.425 0.000 0.745 202 E HN 0.308 nan 8.360 nan 0.000 0.458 203 L N 0.110 120.955 121.223 -0.631 0.000 2.027 203 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 203 L C 2.352 179.083 176.870 -0.232 0.000 1.074 203 L CA 2.142 56.680 54.840 -0.504 0.000 0.745 203 L CB -0.690 41.205 42.059 -0.274 0.000 0.898 203 L HN 0.315 nan 8.230 nan 0.000 0.433 204 M N -1.040 118.477 119.600 -0.139 0.000 2.108 204 M HA -0.276 4.204 4.480 -0.000 0.000 0.261 204 M C 2.184 178.423 176.300 -0.101 0.000 1.066 204 M CA 1.692 56.950 55.300 -0.070 0.000 1.107 204 M CB -0.131 32.451 32.600 -0.030 0.000 1.356 204 M HN 0.130 nan 8.290 nan 0.000 0.406 205 R N 0.364 120.776 120.500 -0.146 0.000 2.237 205 R HA -0.059 4.281 4.340 -0.000 0.000 0.219 205 R C 1.964 178.151 176.300 -0.189 0.000 1.080 205 R CA 1.314 57.323 56.100 -0.151 0.000 0.995 205 R CB -0.679 29.525 30.300 -0.160 0.000 0.875 205 R HN 0.668 nan 8.270 nan 0.000 0.462 206 M N -1.466 117.998 119.600 -0.226 0.000 2.495 206 M HA 0.190 4.670 4.480 -0.000 0.000 0.237 206 M C -0.613 175.594 176.300 -0.155 0.000 1.131 206 M CA 0.415 55.563 55.300 -0.254 0.000 1.032 206 M CB 0.467 32.895 32.600 -0.286 0.000 1.513 206 M HN -0.201 nan 8.290 nan 0.000 0.488 207 L N 3.681 124.844 121.223 -0.102 0.000 2.261 207 L HA 0.275 4.615 4.340 -0.000 0.000 0.289 207 L C 0.246 177.094 176.870 -0.037 0.000 1.059 207 L CA 0.412 55.225 54.840 -0.045 0.000 0.816 207 L CB 0.627 42.674 42.059 -0.019 0.000 1.191 207 L HN 0.436 nan 8.230 nan 0.000 0.431 208 D N 0.610 120.997 120.400 -0.021 0.000 2.475 208 D HA 0.030 4.670 4.640 -0.000 0.000 0.306 208 D C 1.002 177.308 176.300 0.011 0.000 1.304 208 D CA 0.220 54.214 54.000 -0.011 0.000 0.862 208 D CB 0.163 40.947 40.800 -0.026 0.000 1.306 208 D HN 0.502 nan 8.370 nan 0.000 0.494 209 G N 0.525 109.339 108.800 0.022 0.000 3.233 209 G HA2 0.401 4.361 3.960 -0.000 0.000 0.227 209 G HA3 0.401 4.361 3.960 -0.000 0.000 0.227 209 G C 1.228 176.147 174.900 0.031 0.000 1.175 209 G CA 0.453 45.574 45.100 0.034 0.000 0.781 209 G HN 0.555 nan 8.290 nan 0.000 0.542 210 G N 1.924 110.739 108.800 0.025 0.000 2.704 210 G HA2 -0.491 3.469 3.960 -0.000 0.000 0.344 210 G HA3 -0.491 3.469 3.960 -0.000 0.000 0.344 210 G C 1.159 176.077 174.900 0.029 0.000 1.200 210 G CA 1.272 46.386 45.100 0.025 0.000 0.962 210 G HN 0.710 nan 8.290 nan 0.000 0.552 211 D N 1.801 122.218 120.400 0.028 0.000 2.363 211 D HA 0.057 4.697 4.640 -0.000 0.000 0.226 211 D C 0.807 177.127 176.300 0.034 0.000 1.020 211 D CA 0.575 54.593 54.000 0.030 0.000 0.892 211 D CB -0.784 40.031 40.800 0.026 0.000 0.900 211 D HN 0.680 nan 8.370 nan 0.000 0.531 212 N N 2.408 121.130 118.700 0.036 0.000 2.492 212 N HA 0.092 4.832 4.740 -0.000 0.000 0.262 212 N C -2.331 173.207 175.510 0.046 0.000 1.202 212 N CA -1.044 52.030 53.050 0.040 0.000 0.926 212 N CB 0.710 39.225 38.487 0.046 0.000 1.078 212 N HN 0.171 nan 8.380 nan 0.000 0.454 213 P HA 0.029 nan 4.420 nan 0.000 0.271 213 P C -0.948 176.386 177.300 0.057 0.000 1.216 213 P CA -0.254 62.876 63.100 0.048 0.000 0.776 213 P CB 0.928 32.650 31.700 0.037 0.000 0.881 214 L N 3.077 124.337 121.223 0.062 0.000 2.346 214 L HA 0.687 5.027 4.340 -0.000 0.000 0.276 214 L C -0.455 176.436 176.870 0.035 0.000 1.006 214 L CA -0.903 53.976 54.840 0.065 0.000 0.817 214 L CB 1.743 43.846 42.059 0.073 0.000 1.272 214 L HN 0.198 nan 8.230 nan 0.000 0.421 215 R N 3.545 124.070 120.500 0.042 0.000 2.387 215 R HA 0.770 5.110 4.340 -0.000 0.000 0.314 215 R C -1.876 174.401 176.300 -0.038 0.000 0.958 215 R CA -0.538 55.552 56.100 -0.017 0.000 0.846 215 R CB 1.384 31.676 30.300 -0.013 0.000 1.147 215 R HN 0.506 nan 8.270 nan 0.000 0.447 216 V N 5.129 124.860 119.914 -0.305 0.000 2.555 216 V HA 0.505 4.625 4.120 -0.000 0.000 0.302 216 V C -0.476 175.437 176.094 -0.301 0.000 1.038 216 V CA -0.735 61.334 62.300 -0.386 0.000 0.887 216 V CB 1.834 33.153 31.823 -0.840 0.000 0.991 216 V HN 0.715 nan 8.190 nan 0.000 0.434 217 Q N 4.331 124.107 119.800 -0.039 0.000 2.321 217 Q HA 0.672 5.012 4.340 -0.000 0.000 0.270 217 Q C -1.388 174.727 176.000 0.192 0.000 1.032 217 Q CA -0.459 55.405 55.803 0.101 0.000 0.784 217 Q CB 3.067 31.924 28.738 0.198 0.000 1.264 217 Q HN 0.649 nan 8.270 nan 0.000 0.448 218 I N 1.475 122.156 120.570 0.185 0.000 2.406 218 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 218 I C 0.343 176.572 176.117 0.186 0.000 0.999 218 I CA -0.631 60.755 61.300 0.144 0.000 1.124 218 I CB 1.840 39.944 38.000 0.173 0.000 1.289 218 I HN 0.671 nan 8.210 nan 0.000 0.441 219 G N 2.137 110.990 108.800 0.088 0.000 2.753 219 G HA2 0.334 4.294 3.960 -0.000 0.000 0.285 219 G HA3 0.334 4.294 3.960 -0.000 0.000 0.285 219 G C 0.812 175.739 174.900 0.045 0.000 1.344 219 G CA -0.004 45.199 45.100 0.172 0.000 1.050 219 G HN 0.613 nan 8.290 nan 0.000 0.532 220 S N -1.227 114.516 115.700 0.071 0.000 2.423 220 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 220 S C 1.146 175.731 174.600 -0.024 0.000 1.014 220 S CA 1.481 59.716 58.200 0.057 0.000 0.965 220 S CB -0.125 63.114 63.200 0.064 0.000 0.785 220 S HN 0.499 nan 8.310 nan 0.000 0.495 221 N N 0.783 119.405 118.700 -0.129 0.000 2.184 221 N HA 0.361 5.101 4.740 -0.000 0.000 0.234 221 N C -1.240 174.041 175.510 -0.382 0.000 1.282 221 N CA -0.366 52.568 53.050 -0.194 0.000 0.877 221 N CB 0.719 39.123 38.487 -0.139 0.000 1.184 221 N HN 0.391 nan 8.380 nan 0.000 0.510 222 N N 0.074 118.409 118.700 -0.609 0.000 2.610 222 N HA 0.523 5.263 4.740 -0.000 0.000 0.264 222 N C -1.874 173.163 175.510 -0.789 0.000 1.348 222 N CA -0.701 51.808 53.050 -0.903 0.000 0.819 222 N CB 2.367 39.776 38.487 -1.797 0.000 1.521 222 N HN -0.060 nan 8.380 nan 0.000 0.497 223 I N -0.084 120.136 120.570 -0.584 0.000 2.647 223 I HA 0.575 4.745 4.170 -0.000 0.000 0.295 223 I C -1.382 174.604 176.117 -0.218 0.000 1.078 223 I CA -0.742 60.368 61.300 -0.315 0.000 1.048 223 I CB 1.765 39.615 38.000 -0.250 0.000 1.239 223 I HN 0.530 nan 8.210 nan 0.000 0.421 224 R N 5.668 126.170 120.500 0.003 0.000 2.673 224 R HA 0.851 5.191 4.340 -0.000 0.000 0.281 224 R C -2.006 174.302 176.300 0.014 0.000 0.991 224 R CA -0.579 55.542 56.100 0.035 0.000 0.896 224 R CB 2.083 32.529 30.300 0.244 0.000 1.201 224 R HN 0.698 nan 8.270 nan 0.000 0.457 225 A N 3.829 126.649 122.820 -0.000 0.000 2.343 225 A HA 0.436 4.756 4.320 -0.000 0.000 0.308 225 A C -1.411 176.158 177.584 -0.026 0.000 1.092 225 A CA -0.704 51.361 52.037 0.046 0.000 0.751 225 A CB 1.004 20.086 19.000 0.137 0.000 1.203 225 A HN 0.814 nan 8.150 nan 0.000 0.452 226 H N 2.184 121.292 119.070 0.063 0.000 2.597 226 H HA 0.411 4.967 4.556 -0.000 0.000 0.303 226 H C -1.036 174.338 175.328 0.077 0.000 1.057 226 H CA -0.155 55.933 56.048 0.067 0.000 1.261 226 H CB 1.444 31.219 29.762 0.022 0.000 1.397 226 H HN 0.324 nan 8.280 nan 0.000 0.461 227 V N 3.688 123.726 119.914 0.206 0.000 2.325 227 V HA 0.307 4.427 4.120 -0.000 0.000 0.280 227 V C 1.079 177.312 176.094 0.232 0.000 1.016 227 V CA 0.040 62.453 62.300 0.188 0.000 0.818 227 V CB 0.840 32.757 31.823 0.156 0.000 1.019 227 V HN 1.172 nan 8.190 nan 0.000 0.434 228 G N 4.536 113.429 108.800 0.155 0.000 2.634 228 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.318 228 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.318 228 G C 0.334 175.264 174.900 0.049 0.000 1.207 228 G CA 0.695 45.862 45.100 0.112 0.000 0.987 228 G HN 0.617 nan 8.290 nan 0.000 0.547 229 D N 1.057 121.417 120.400 -0.067 0.000 2.491 229 D HA 0.421 5.061 4.640 -0.000 0.000 0.228 229 D C -0.285 175.725 176.300 -0.483 0.000 1.183 229 D CA 0.316 54.155 54.000 -0.269 0.000 0.827 229 D CB 0.007 40.583 40.800 -0.374 0.000 0.989 229 D HN 0.119 nan 8.370 nan 0.000 0.494 230 F N 0.474 120.443 119.950 0.031 0.000 2.532 230 F HA 0.492 5.019 4.527 -0.000 0.000 0.321 230 F C 0.253 176.068 175.800 0.025 0.000 1.089 230 F CA -0.894 57.123 58.000 0.029 0.000 0.926 230 F CB 1.988 41.004 39.000 0.027 0.000 1.168 230 F HN -0.274 nan 8.300 nan 0.000 0.459 231 I N 3.737 124.419 120.570 0.185 0.000 2.439 231 I HA 0.253 4.423 4.170 -0.000 0.000 0.283 231 I C -1.370 174.810 176.117 0.106 0.000 1.023 231 I CA -0.634 60.679 61.300 0.022 0.000 1.100 231 I CB 1.688 39.631 38.000 -0.095 0.000 1.238 231 I HN 0.397 nan 8.210 nan 0.000 0.445 232 F N 5.993 125.909 119.950 -0.058 0.000 2.436 232 F HA 0.643 5.170 4.527 -0.000 0.000 0.340 232 F C -0.363 175.409 175.800 -0.046 0.000 1.113 232 F CA -0.092 57.888 58.000 -0.034 0.000 1.022 232 F CB 1.513 40.490 39.000 -0.039 0.000 1.128 232 F HN 0.284 nan 8.300 nan 0.000 0.466 233 T N 4.377 118.437 114.554 -0.823 0.000 2.886 233 T HA 0.535 4.885 4.350 -0.000 0.000 0.292 233 T C -1.198 172.970 174.700 -0.886 0.000 1.012 233 T CA -0.768 60.943 62.100 -0.649 0.000 0.982 233 T CB 1.533 70.293 68.868 -0.180 0.000 1.018 233 T HN 0.609 nan 8.240 nan 0.000 0.451 234 S N 1.840 117.111 115.700 -0.715 0.000 2.549 234 S HA 0.576 5.046 4.470 -0.000 0.000 0.280 234 S C -0.807 173.564 174.600 -0.382 0.000 1.109 234 S CA -0.918 56.979 58.200 -0.504 0.000 0.905 234 S CB 1.069 64.035 63.200 -0.389 0.000 1.081 234 S HN 0.576 nan 8.310 nan 0.000 0.477 235 K N 1.887 122.120 120.400 -0.279 0.000 2.180 235 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 235 K C -0.475 176.001 176.600 -0.207 0.000 1.014 235 K CA -0.340 55.793 56.287 -0.257 0.000 0.913 235 K CB 0.377 32.770 32.500 -0.178 0.000 1.008 235 K HN 0.497 nan 8.250 nan 0.000 0.490 236 L N 0.594 121.707 121.223 -0.182 0.000 2.331 236 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 236 L C -0.468 176.365 176.870 -0.063 0.000 1.015 236 L CA -1.312 53.455 54.840 -0.122 0.000 0.807 236 L CB 1.623 43.609 42.059 -0.121 0.000 1.293 236 L HN 0.241 nan 8.230 nan 0.000 0.451 237 V N 0.279 120.187 119.914 -0.010 0.000 2.439 237 V HA 0.230 4.350 4.120 -0.000 0.000 0.282 237 V C -0.305 175.828 176.094 0.066 0.000 1.039 237 V CA -0.776 61.548 62.300 0.040 0.000 0.913 237 V CB 1.419 33.304 31.823 0.105 0.000 0.983 237 V HN 0.596 nan 8.190 nan 0.000 0.460 238 D N 2.391 122.829 120.400 0.064 0.000 2.354 238 D HA 0.645 5.285 4.640 -0.000 0.000 0.247 238 D C 0.485 176.872 176.300 0.144 0.000 1.138 238 D CA 0.975 55.018 54.000 0.072 0.000 0.958 238 D CB 1.724 42.550 40.800 0.042 0.000 1.144 238 D HN 0.997 nan 8.370 nan 0.000 0.458 239 G N 0.108 108.966 108.800 0.096 0.000 2.459 239 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.685 239 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.685 239 G C -1.107 173.758 174.900 -0.059 0.000 1.303 239 G CA -1.062 44.079 45.100 0.069 0.000 0.907 239 G HN 0.431 nan 8.290 nan 0.000 0.632 240 R N -0.066 120.275 120.500 -0.265 0.000 2.198 240 R HA 0.437 4.777 4.340 -0.000 0.000 0.339 240 R C -0.282 175.764 176.300 -0.424 0.000 1.020 240 R CA -0.503 55.443 56.100 -0.258 0.000 0.864 240 R CB 0.926 31.084 30.300 -0.236 0.000 1.105 240 R HN 0.386 nan 8.270 nan 0.000 0.463 241 F N 5.615 125.413 119.950 -0.254 0.000 2.443 241 F HA 0.215 4.742 4.527 -0.000 0.000 0.353 241 F C -1.253 174.474 175.800 -0.122 0.000 1.101 241 F CA -1.883 56.027 58.000 -0.151 0.000 1.226 241 F CB 0.547 39.540 39.000 -0.013 0.000 1.140 241 F HN 0.432 nan 8.300 nan 0.000 0.557 242 P HA -0.035 nan 4.420 nan 0.000 0.269 242 P C -1.160 176.206 177.300 0.110 0.000 1.217 242 P CA -0.165 62.856 63.100 -0.131 0.000 0.783 242 P CB 0.573 32.149 31.700 -0.206 0.000 0.898 243 D N 0.718 121.146 120.400 0.047 0.000 2.380 243 D HA 0.024 4.664 4.640 -0.000 0.000 0.230 243 D C 1.200 177.512 176.300 0.020 0.000 1.154 243 D CA -0.541 53.484 54.000 0.042 0.000 0.859 243 D CB 0.122 40.890 40.800 -0.053 0.000 1.045 243 D HN 0.338 nan 8.370 nan 0.000 0.495 244 Y N 3.988 124.319 120.300 0.052 0.000 2.241 244 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 244 Y C 1.787 177.689 175.900 0.003 0.000 1.166 244 Y CA 1.131 59.247 58.100 0.026 0.000 1.203 244 Y CB -0.462 38.007 38.460 0.014 0.000 0.977 244 Y HN 0.262 nan 8.280 nan 0.000 0.529 245 R N 0.589 120.601 120.500 -0.813 0.000 2.127 245 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 245 R C 2.198 178.367 176.300 -0.219 0.000 1.134 245 R CA 1.772 57.527 56.100 -0.576 0.000 0.975 245 R CB -0.376 29.581 30.300 -0.573 0.000 0.865 245 R HN 0.435 nan 8.270 nan 0.000 0.447 246 R N 0.439 120.847 120.500 -0.153 0.000 2.276 246 R HA -0.035 4.305 4.340 -0.000 0.000 0.203 246 R C 1.970 178.250 176.300 -0.033 0.000 1.017 246 R CA 1.062 57.116 56.100 -0.077 0.000 1.010 246 R CB 0.186 30.448 30.300 -0.063 0.000 0.900 246 R HN 0.230 nan 8.270 nan 0.000 0.469 247 V N -2.264 117.645 119.914 -0.009 0.000 3.644 247 V HA 0.211 4.331 4.120 -0.000 0.000 0.267 247 V C 0.740 176.856 176.094 0.037 0.000 1.277 247 V CA -0.026 62.288 62.300 0.022 0.000 1.096 247 V CB -0.205 31.644 31.823 0.043 0.000 0.828 247 V HN -0.008 nan 8.190 nan 0.000 0.446 248 L N 3.701 124.944 121.223 0.033 0.000 2.499 248 L HA 0.283 4.623 4.340 -0.000 0.000 0.273 248 L C -1.739 175.151 176.870 0.032 0.000 1.195 248 L CA -1.384 53.484 54.840 0.047 0.000 0.882 248 L CB 0.072 42.157 42.059 0.044 0.000 1.133 248 L HN 0.157 nan 8.230 nan 0.000 0.483 249 P HA 0.001 nan 4.420 nan 0.000 0.266 249 P C -1.213 176.103 177.300 0.026 0.000 1.195 249 P CA -0.120 62.999 63.100 0.031 0.000 0.768 249 P CB 0.351 32.071 31.700 0.034 0.000 0.838 250 K N 2.060 122.471 120.400 0.018 0.000 2.185 250 K HA 0.226 4.546 4.320 -0.000 0.000 0.269 250 K C -0.080 176.535 176.600 0.024 0.000 0.987 250 K CA -0.796 55.501 56.287 0.017 0.000 0.865 250 K CB 0.405 32.909 32.500 0.007 0.000 1.090 250 K HN 0.365 nan 8.250 nan 0.000 0.450 251 N N 0.797 119.518 118.700 0.035 0.000 2.667 251 N HA -0.117 4.623 4.740 -0.000 0.000 0.263 251 N C -2.482 173.059 175.510 0.053 0.000 1.038 251 N CA 0.326 53.404 53.050 0.047 0.000 0.749 251 N CB -1.367 37.140 38.487 0.033 0.000 0.892 251 N HN 0.550 nan 8.380 nan 0.000 0.546 252 P HA 0.045 nan 4.420 nan 0.000 0.267 252 P C 0.718 178.043 177.300 0.040 0.000 1.209 252 P CA 0.091 63.182 63.100 -0.015 0.000 0.763 252 P CB 0.444 32.087 31.700 -0.095 0.000 0.816 253 D N 2.330 122.726 120.400 -0.006 0.000 2.369 253 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 253 D C -0.177 176.137 176.300 0.024 0.000 1.077 253 D CA 0.175 54.210 54.000 0.058 0.000 0.842 253 D CB 0.499 41.325 40.800 0.044 0.000 0.947 253 D HN 0.331 nan 8.370 nan 0.000 0.509 254 K N 0.609 120.920 120.400 -0.148 0.000 2.443 254 K HA 0.381 4.701 4.320 -0.000 0.000 0.252 254 K C -0.994 175.393 176.600 -0.354 0.000 0.933 254 K CA -0.609 55.625 56.287 -0.088 0.000 0.792 254 K CB 2.247 34.822 32.500 0.124 0.000 1.185 254 K HN 0.091 nan 8.250 nan 0.000 0.425 255 H N 2.503 121.581 119.070 0.013 0.000 2.759 255 H HA 0.369 4.925 4.556 -0.000 0.000 0.354 255 H C -1.283 174.134 175.328 0.149 0.000 1.074 255 H CA -0.790 55.298 56.048 0.068 0.000 1.226 255 H CB 2.402 32.167 29.762 0.005 0.000 1.648 255 H HN 0.379 nan 8.280 nan 0.000 0.529 256 L N 1.997 123.399 121.223 0.298 0.000 2.370 256 L HA 0.491 4.831 4.340 -0.000 0.000 0.266 256 L C -0.870 176.115 176.870 0.192 0.000 1.002 256 L CA -0.547 54.477 54.840 0.307 0.000 0.818 256 L CB 2.668 44.909 42.059 0.303 0.000 1.325 256 L HN 0.677 nan 8.230 nan 0.000 0.418 257 E N 3.389 123.684 120.200 0.158 0.000 2.290 257 E HA 0.786 5.136 4.350 -0.000 0.000 0.274 257 E C -1.883 174.771 176.600 0.091 0.000 0.889 257 E CA -0.588 55.878 56.400 0.110 0.000 0.760 257 E CB 2.156 31.911 29.700 0.091 0.000 1.206 257 E HN 0.816 nan 8.360 nan 0.000 0.419 258 A N 2.394 125.258 122.820 0.073 0.000 2.599 258 A HA 0.735 5.055 4.320 -0.000 0.000 0.290 258 A C -0.378 177.232 177.584 0.042 0.000 1.101 258 A CA -0.295 51.775 52.037 0.054 0.000 0.674 258 A CB 1.211 20.242 19.000 0.051 0.000 1.277 258 A HN 0.637 nan 8.150 nan 0.000 0.419 259 G N -0.653 108.165 108.800 0.029 0.000 2.380 259 G HA2 0.342 4.302 3.960 -0.000 0.000 0.242 259 G HA3 0.342 4.302 3.960 -0.000 0.000 0.242 259 G C 1.063 175.978 174.900 0.025 0.000 1.298 259 G CA 0.480 45.593 45.100 0.023 0.000 0.878 259 G HN 1.433 nan 8.290 nan 0.000 0.542 260 C N 1.818 121.131 119.300 0.022 0.000 2.432 260 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 260 C C 2.400 177.401 174.990 0.018 0.000 1.249 260 C CA 1.692 60.722 59.018 0.021 0.000 1.725 260 C CB -0.793 26.951 27.740 0.008 0.000 2.028 260 C HN 0.966 nan 8.230 nan 0.000 0.477 261 D N -0.103 120.303 120.400 0.009 0.000 2.084 261 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 261 D C 2.126 178.430 176.300 0.006 0.000 0.990 261 D CA 1.599 55.602 54.000 0.005 0.000 0.826 261 D CB -0.312 40.489 40.800 0.000 0.000 0.971 261 D HN 0.549 nan 8.370 nan 0.000 0.453 262 L N 0.072 121.296 121.223 0.001 0.000 2.042 262 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 262 L C 2.678 179.534 176.870 -0.023 0.000 1.076 262 L CA 0.619 55.451 54.840 -0.013 0.000 0.749 262 L CB -0.432 41.618 42.059 -0.016 0.000 0.893 262 L HN 0.273 nan 8.230 nan 0.000 0.432 263 L N -0.001 121.223 121.223 0.001 0.000 2.017 263 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 263 L C 2.769 179.701 176.870 0.103 0.000 1.073 263 L CA 1.600 56.450 54.840 0.017 0.000 0.745 263 L CB -0.316 41.807 42.059 0.105 0.000 0.894 263 L HN 0.289 nan 8.230 nan 0.000 0.432 264 K N -0.710 119.759 120.400 0.114 0.000 2.026 264 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 264 K C 2.114 178.769 176.600 0.092 0.000 1.048 264 K CA 1.344 57.707 56.287 0.127 0.000 0.929 264 K CB 0.093 32.619 32.500 0.044 0.000 0.713 264 K HN 0.228 nan 8.250 nan 0.000 0.439 265 Q N -0.053 119.767 119.800 0.034 0.000 2.167 265 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 265 Q C 2.038 178.036 176.000 -0.003 0.000 0.970 265 Q CA 1.457 57.268 55.803 0.013 0.000 0.855 265 Q CB -0.272 28.464 28.738 -0.004 0.000 0.911 265 Q HN 0.446 nan 8.270 nan 0.000 0.438 266 A N -0.115 122.674 122.820 -0.052 0.000 1.898 266 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 266 A C 1.839 179.350 177.584 -0.121 0.000 1.181 266 A CA 0.907 52.865 52.037 -0.132 0.000 0.620 266 A CB -0.643 18.205 19.000 -0.253 0.000 0.819 266 A HN 0.239 nan 8.150 nan 0.000 0.442 267 F N 0.275 120.218 119.950 -0.013 0.000 2.186 267 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 267 F C 2.766 178.558 175.800 -0.014 0.000 1.090 267 F CA 0.655 58.648 58.000 -0.012 0.000 1.307 267 F CB -0.638 38.346 39.000 -0.027 0.000 1.019 267 F HN 0.257 nan 8.300 nan 0.000 0.489 268 A N 0.199 123.115 122.820 0.161 0.000 1.877 268 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 268 A C 2.370 179.986 177.584 0.052 0.000 1.186 268 A CA 1.681 53.766 52.037 0.081 0.000 0.620 268 A CB -0.618 18.410 19.000 0.046 0.000 0.822 268 A HN 0.302 nan 8.150 nan 0.000 0.443 269 R N -0.743 119.777 120.500 0.033 0.000 2.075 269 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 269 R C 2.509 178.824 176.300 0.025 0.000 1.126 269 R CA 1.104 57.214 56.100 0.017 0.000 0.963 269 R CB -0.456 29.843 30.300 -0.002 0.000 0.858 269 R HN 0.507 nan 8.270 nan 0.000 0.435 270 A N 1.425 124.266 122.820 0.035 0.000 1.933 270 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 270 A C 2.373 179.997 177.584 0.066 0.000 1.175 270 A CA 1.641 53.707 52.037 0.048 0.000 0.628 270 A CB -0.609 18.428 19.000 0.062 0.000 0.814 270 A HN 0.393 nan 8.150 nan 0.000 0.444 271 A N 0.081 122.950 122.820 0.082 0.000 2.032 271 A HA -0.143 4.177 4.320 -0.000 0.000 0.221 271 A C 2.016 179.621 177.584 0.034 0.000 1.165 271 A CA 1.531 53.605 52.037 0.062 0.000 0.645 271 A CB -0.716 18.317 19.000 0.054 0.000 0.807 271 A HN 0.547 nan 8.150 nan 0.000 0.453 272 I N -0.820 119.767 120.570 0.028 0.000 2.335 272 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 272 I C 1.270 177.396 176.117 0.014 0.000 1.129 272 I CA 1.157 62.466 61.300 0.015 0.000 1.402 272 I CB -0.167 37.840 38.000 0.011 0.000 1.069 272 I HN 0.247 nan 8.210 nan 0.000 0.424 273 L N 0.325 121.561 121.223 0.022 0.000 2.965 273 L HA 0.195 4.535 4.340 -0.000 0.000 0.254 273 L C 0.780 177.668 176.870 0.030 0.000 1.220 273 L CA -0.366 54.487 54.840 0.021 0.000 1.023 273 L CB -0.213 41.858 42.059 0.020 0.000 1.355 273 L HN 0.177 nan 8.230 nan 0.000 0.545 274 S N -1.763 113.957 115.700 0.033 0.000 2.672 274 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 274 S C -0.026 174.593 174.600 0.032 0.000 1.207 274 S CA -0.730 57.496 58.200 0.042 0.000 1.002 274 S CB 1.420 64.649 63.200 0.048 0.000 0.998 274 S HN 0.294 nan 8.310 nan 0.000 0.542 275 N N 0.741 119.471 118.700 0.051 0.000 2.359 275 N HA -0.011 4.729 4.740 -0.000 0.000 0.261 275 N C 0.978 176.480 175.510 -0.014 0.000 1.267 275 N CA 0.170 53.246 53.050 0.043 0.000 0.864 275 N CB 0.308 38.876 38.487 0.134 0.000 1.063 275 N HN 0.740 nan 8.380 nan 0.000 0.474 276 E N 2.306 122.476 120.200 -0.050 0.000 2.209 276 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 276 E C 1.109 177.626 176.600 -0.138 0.000 0.993 276 E CA 1.143 57.496 56.400 -0.079 0.000 0.819 276 E CB 0.116 29.772 29.700 -0.074 0.000 0.745 276 E HN 0.721 nan 8.360 nan 0.000 0.477 277 K N -0.840 119.411 120.400 -0.249 0.000 2.365 277 K HA 0.073 4.393 4.320 -0.000 0.000 0.195 277 K C 1.399 177.749 176.600 -0.416 0.000 1.079 277 K CA 0.338 56.387 56.287 -0.396 0.000 0.979 277 K CB 0.141 32.284 32.500 -0.596 0.000 0.929 277 K HN 0.067 nan 8.250 nan 0.000 0.523 278 F N 1.608 121.532 119.950 -0.044 0.000 2.714 278 F HA 0.292 4.819 4.527 -0.000 0.000 0.294 278 F C 0.281 176.033 175.800 -0.081 0.000 1.120 278 F CA -0.774 57.190 58.000 -0.059 0.000 1.398 278 F CB 0.431 39.404 39.000 -0.045 0.000 1.120 278 F HN -0.195 nan 8.300 nan 0.000 0.589 279 R N 0.630 121.172 120.500 0.069 0.000 3.610 279 R HA -0.171 4.169 4.340 -0.000 0.000 0.274 279 R C 0.377 176.697 176.300 0.033 0.000 1.123 279 R CA 0.626 56.735 56.100 0.015 0.000 0.747 279 R CB -2.672 27.593 30.300 -0.059 0.000 1.149 279 R HN 0.390 nan 8.270 nan 0.000 0.471 280 G N 0.552 109.394 108.800 0.070 0.000 2.403 280 G HA2 0.442 4.402 3.960 -0.000 0.000 0.259 280 G HA3 0.442 4.402 3.960 -0.000 0.000 0.259 280 G C 0.357 175.300 174.900 0.071 0.000 1.244 280 G CA 0.110 45.242 45.100 0.054 0.000 0.849 280 G HN 0.224 nan 8.290 nan 0.000 0.532 281 V N 0.236 120.208 119.914 0.096 0.000 2.962 281 V HA 0.773 4.893 4.120 -0.000 0.000 0.313 281 V C -0.413 175.755 176.094 0.123 0.000 1.099 281 V CA -1.626 60.757 62.300 0.137 0.000 0.971 281 V CB 2.068 34.026 31.823 0.226 0.000 1.028 281 V HN 0.766 nan 8.190 nan 0.000 0.430 282 R N 2.450 123.015 120.500 0.108 0.000 2.460 282 R HA 0.775 5.115 4.340 -0.000 0.000 0.303 282 R C -1.662 174.651 176.300 0.022 0.000 0.968 282 R CA -0.725 55.372 56.100 -0.005 0.000 0.889 282 R CB 1.880 32.151 30.300 -0.049 0.000 1.123 282 R HN 0.603 nan 8.270 nan 0.000 0.455 283 L N 3.382 124.551 121.223 -0.089 0.000 2.322 283 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 283 L C -1.107 175.615 176.870 -0.246 0.000 1.014 283 L CA -0.445 54.394 54.840 -0.002 0.000 0.815 283 L CB 1.035 43.190 42.059 0.159 0.000 1.247 283 L HN 0.473 nan 8.230 nan 0.000 0.421 284 Y N 2.515 122.803 120.300 -0.020 0.000 2.326 284 Y HA 0.596 5.146 4.550 -0.000 0.000 0.331 284 Y C -0.076 175.748 175.900 -0.127 0.000 0.962 284 Y CA -1.247 56.818 58.100 -0.057 0.000 1.167 284 Y CB 1.828 40.263 38.460 -0.043 0.000 1.148 284 Y HN 0.329 nan 8.280 nan 0.000 0.463 285 V N 0.944 120.792 119.914 -0.110 0.000 2.435 285 V HA 0.957 5.077 4.120 -0.000 0.000 0.290 285 V C -0.242 175.670 176.094 -0.304 0.000 1.030 285 V CA -0.613 61.442 62.300 -0.409 0.000 0.881 285 V CB 1.093 32.349 31.823 -0.945 0.000 0.983 285 V HN 0.740 nan 8.190 nan 0.000 0.445 286 S N 1.662 117.252 115.700 -0.184 0.000 2.671 286 S HA 0.536 5.006 4.470 -0.000 0.000 0.277 286 S C -0.414 174.335 174.600 0.249 0.000 1.165 286 S CA -0.816 57.437 58.200 0.088 0.000 0.822 286 S CB 1.380 64.619 63.200 0.064 0.000 1.150 286 S HN 1.072 nan 8.310 nan 0.000 0.479 287 E N 0.920 121.267 120.200 0.245 0.000 2.905 287 E HA -0.104 4.246 4.350 -0.000 0.000 0.240 287 E C -0.178 176.521 176.600 0.165 0.000 0.990 287 E CA 0.831 57.357 56.400 0.209 0.000 0.954 287 E CB -0.968 28.801 29.700 0.115 0.000 0.908 287 E HN 0.665 nan 8.360 nan 0.000 0.532 288 N N 2.955 121.775 118.700 0.200 0.000 2.696 288 N HA -0.298 4.442 4.740 -0.000 0.000 0.249 288 N C -0.635 174.934 175.510 0.098 0.000 1.090 288 N CA 0.834 53.969 53.050 0.141 0.000 0.716 288 N CB -0.466 38.072 38.487 0.086 0.000 1.020 288 N HN 0.624 nan 8.380 nan 0.000 0.548 289 Q N 0.534 120.389 119.800 0.091 0.000 2.309 289 Q HA 0.580 4.920 4.340 -0.000 0.000 0.273 289 Q C -2.092 173.895 176.000 -0.021 0.000 1.040 289 Q CA -0.837 54.983 55.803 0.029 0.000 0.834 289 Q CB 1.566 30.317 28.738 0.022 0.000 1.345 289 Q HN 0.205 nan 8.270 nan 0.000 0.414 290 L N 3.182 124.387 121.223 -0.030 0.000 2.362 290 L HA 0.636 4.976 4.340 -0.000 0.000 0.275 290 L C -1.697 175.152 176.870 -0.036 0.000 0.998 290 L CA -0.108 54.702 54.840 -0.050 0.000 0.820 290 L CB 1.746 43.771 42.059 -0.058 0.000 1.270 290 L HN 0.611 nan 8.230 nan 0.000 0.415 291 K N 5.574 125.983 120.400 0.015 0.000 2.376 291 K HA 0.655 4.975 4.320 -0.000 0.000 0.257 291 K C -1.611 175.049 176.600 0.100 0.000 0.939 291 K CA -0.502 55.804 56.287 0.030 0.000 0.809 291 K CB 1.187 33.698 32.500 0.018 0.000 1.121 291 K HN 0.728 nan 8.250 nan 0.000 0.425 292 I N 3.721 124.297 120.570 0.011 0.000 2.378 292 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 292 I C -0.129 176.032 176.117 0.074 0.000 0.992 292 I CA -0.620 60.696 61.300 0.027 0.000 1.154 292 I CB 2.077 39.962 38.000 -0.192 0.000 1.315 292 I HN 0.714 nan 8.210 nan 0.000 0.448 293 T N 2.687 117.337 114.554 0.159 0.000 2.907 293 T HA 0.929 5.279 4.350 -0.000 0.000 0.292 293 T C -0.734 174.040 174.700 0.123 0.000 1.043 293 T CA -0.846 61.334 62.100 0.134 0.000 1.003 293 T CB 2.269 71.249 68.868 0.187 0.000 1.084 293 T HN 0.744 nan 8.240 nan 0.000 0.483 294 A N 2.292 125.165 122.820 0.087 0.000 2.547 294 A HA 0.846 5.166 4.320 -0.000 0.000 0.297 294 A C -1.212 176.406 177.584 0.058 0.000 1.056 294 A CA -1.162 50.921 52.037 0.078 0.000 0.688 294 A CB 1.322 20.367 19.000 0.076 0.000 1.282 294 A HN 1.254 nan 8.150 nan 0.000 0.400 295 N N 0.419 119.152 118.700 0.054 0.000 2.396 295 N HA 0.654 5.394 4.740 -0.000 0.000 0.275 295 N C -0.987 174.549 175.510 0.044 0.000 1.218 295 N CA -0.784 52.291 53.050 0.042 0.000 0.812 295 N CB 1.225 39.735 38.487 0.039 0.000 1.592 295 N HN 0.669 nan 8.380 nan 0.000 0.480 296 N N -0.852 117.869 118.700 0.036 0.000 2.619 296 N HA 0.595 5.335 4.740 -0.000 0.000 0.294 296 N C -2.387 173.143 175.510 0.034 0.000 1.279 296 N CA -2.040 51.032 53.050 0.037 0.000 0.867 296 N CB 0.140 38.642 38.487 0.025 0.000 1.329 296 N HN 0.263 nan 8.380 nan 0.000 0.557 297 P HA -0.050 nan 4.420 nan 0.000 0.221 297 P C -0.019 177.293 177.300 0.020 0.000 1.145 297 P CA 1.229 64.347 63.100 0.031 0.000 0.795 297 P CB 0.164 31.883 31.700 0.031 0.000 0.775 298 E N -1.256 118.953 120.200 0.015 0.000 2.494 298 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 298 E C 0.521 177.128 176.600 0.011 0.000 1.074 298 E CA 0.163 56.569 56.400 0.010 0.000 0.867 298 E CB -0.488 29.216 29.700 0.007 0.000 0.924 298 E HN 0.014 nan 8.360 nan 0.000 0.502 299 Q N -0.566 119.243 119.800 0.014 0.000 2.460 299 Q HA -0.211 4.129 4.340 -0.000 0.000 0.248 299 Q C -0.993 175.014 176.000 0.012 0.000 0.847 299 Q CA 0.871 56.681 55.803 0.013 0.000 1.214 299 Q CB -1.469 27.275 28.738 0.009 0.000 1.523 299 Q HN 0.436 nan 8.270 nan 0.000 0.602 300 E N 0.380 120.588 120.200 0.013 0.000 2.343 300 E HA 0.404 4.754 4.350 -0.000 0.000 0.269 300 E C -0.248 176.361 176.600 0.015 0.000 1.047 300 E CA -0.191 56.216 56.400 0.011 0.000 0.874 300 E CB 0.890 30.596 29.700 0.009 0.000 1.033 300 E HN 0.186 nan 8.360 nan 0.000 0.409 301 E N 0.200 120.407 120.200 0.012 0.000 2.367 301 E HA 0.663 5.013 4.350 -0.000 0.000 0.273 301 E C -1.454 175.154 176.600 0.012 0.000 0.903 301 E CA -1.030 55.379 56.400 0.016 0.000 0.764 301 E CB 2.106 31.813 29.700 0.012 0.000 1.252 301 E HN 0.461 nan 8.360 nan 0.000 0.446 302 A N 1.848 124.679 122.820 0.018 0.000 2.435 302 A HA 0.651 4.971 4.320 -0.000 0.000 0.304 302 A C -1.167 176.423 177.584 0.010 0.000 1.064 302 A CA -0.567 51.477 52.037 0.011 0.000 0.727 302 A CB 1.739 20.749 19.000 0.017 0.000 1.284 302 A HN 0.639 nan 8.150 nan 0.000 0.415 303 E N 1.486 121.682 120.200 -0.006 0.000 2.278 303 E HA 0.415 4.765 4.350 -0.000 0.000 0.272 303 E C -1.525 175.054 176.600 -0.034 0.000 0.890 303 E CA -0.418 55.973 56.400 -0.016 0.000 0.770 303 E CB 1.372 31.055 29.700 -0.028 0.000 1.212 303 E HN 0.599 nan 8.360 nan 0.000 0.415 304 E N 4.397 124.568 120.200 -0.049 0.000 2.210 304 E HA 0.443 4.793 4.350 -0.000 0.000 0.266 304 E C -0.539 176.014 176.600 -0.078 0.000 0.883 304 E CA -0.676 55.678 56.400 -0.075 0.000 0.761 304 E CB 2.096 31.723 29.700 -0.122 0.000 1.156 304 E HN 0.514 nan 8.360 nan 0.000 0.412 305 I N 3.149 123.679 120.570 -0.067 0.000 2.433 305 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 305 I C -0.798 175.284 176.117 -0.059 0.000 1.001 305 I CA -0.915 60.351 61.300 -0.058 0.000 1.119 305 I CB 1.255 39.228 38.000 -0.044 0.000 1.289 305 I HN 0.153 nan 8.210 nan 0.000 0.438 306 L N 5.249 126.438 121.223 -0.058 0.000 2.388 306 L HA 0.474 4.814 4.340 -0.000 0.000 0.264 306 L C -0.719 176.138 176.870 -0.022 0.000 0.998 306 L CA -0.497 54.314 54.840 -0.048 0.000 0.817 306 L CB 1.977 43.992 42.059 -0.073 0.000 1.338 306 L HN 0.399 nan 8.230 nan 0.000 0.414 307 D N 2.098 122.492 120.400 -0.009 0.000 2.308 307 D HA 0.548 5.188 4.640 -0.000 0.000 0.251 307 D C -0.240 176.073 176.300 0.021 0.000 1.127 307 D CA 0.240 54.246 54.000 0.010 0.000 0.876 307 D CB 1.615 42.421 40.800 0.011 0.000 1.176 307 D HN 0.337 nan 8.370 nan 0.000 0.446 308 V N -0.555 119.386 119.914 0.044 0.000 3.182 308 V HA 0.625 4.745 4.120 -0.000 0.000 0.308 308 V C -0.238 175.915 176.094 0.098 0.000 1.240 308 V CA -0.868 61.473 62.300 0.067 0.000 1.063 308 V CB 1.955 33.824 31.823 0.077 0.000 1.076 308 V HN 0.347 nan 8.190 nan 0.000 0.446 309 T N 2.561 117.182 114.554 0.112 0.000 2.753 309 T HA 0.595 4.945 4.350 -0.000 0.000 0.297 309 T C -1.322 173.491 174.700 0.188 0.000 0.981 309 T CA 0.210 62.379 62.100 0.114 0.000 0.956 309 T CB -0.055 68.859 68.868 0.077 0.000 0.936 309 T HN 0.812 nan 8.240 nan 0.000 0.463 310 Y N 2.243 122.575 120.300 0.053 0.000 2.406 310 Y HA 0.562 5.112 4.550 -0.000 0.000 0.340 310 Y C -0.780 175.160 175.900 0.066 0.000 0.975 310 Y CA -0.891 57.249 58.100 0.067 0.000 1.056 310 Y CB 1.635 40.132 38.460 0.062 0.000 1.210 310 Y HN 0.532 nan 8.280 nan 0.000 0.448 311 S N 3.575 118.801 115.700 -0.790 0.000 2.521 311 S HA 0.933 5.403 4.470 -0.000 0.000 0.295 311 S C -0.401 173.703 174.600 -0.827 0.000 1.098 311 S CA -0.205 57.649 58.200 -0.576 0.000 0.999 311 S CB 1.558 64.621 63.200 -0.229 0.000 1.034 311 S HN 1.345 nan 8.310 nan 0.000 0.483 312 G N 0.993 109.514 108.800 -0.466 0.000 2.353 312 G HA2 0.458 4.418 3.960 -0.000 0.000 0.424 312 G HA3 0.458 4.418 3.960 -0.000 0.000 0.424 312 G C -0.713 174.205 174.900 0.030 0.000 1.320 312 G CA -0.480 44.497 45.100 -0.206 0.000 0.995 312 G HN 1.073 nan 8.290 nan 0.000 0.580 313 A N -0.319 122.571 122.820 0.116 0.000 2.425 313 A HA 0.600 4.920 4.320 -0.000 0.000 0.242 313 A C 0.673 178.407 177.584 0.250 0.000 1.077 313 A CA 0.400 52.527 52.037 0.150 0.000 0.781 313 A CB 0.038 19.096 19.000 0.097 0.000 1.020 313 A HN 0.743 nan 8.150 nan 0.000 0.494 314 E N 0.230 120.543 120.200 0.188 0.000 2.392 314 E HA 0.370 4.720 4.350 -0.000 0.000 0.264 314 E C -0.244 176.417 176.600 0.101 0.000 1.024 314 E CA 0.306 56.798 56.400 0.153 0.000 0.903 314 E CB 0.747 30.514 29.700 0.112 0.000 0.963 314 E HN 0.650 nan 8.360 nan 0.000 0.432 315 M N 1.477 121.108 119.600 0.051 0.000 2.643 315 M HA 0.212 4.691 4.480 -0.000 0.000 0.276 315 M C -1.979 174.289 176.300 -0.055 0.000 1.200 315 M CA -0.619 54.690 55.300 0.015 0.000 0.863 315 M CB 2.477 35.092 32.600 0.025 0.000 1.711 315 M HN 0.404 nan 8.290 nan 0.000 0.492 316 E N 3.684 123.815 120.200 -0.116 0.000 2.187 316 E HA 0.633 4.983 4.350 -0.000 0.000 0.268 316 E C -2.104 174.340 176.600 -0.261 0.000 0.896 316 E CA -0.475 55.728 56.400 -0.329 0.000 0.766 316 E CB 1.962 31.424 29.700 -0.397 0.000 1.142 316 E HN 0.809 nan 8.360 nan 0.000 0.408 317 I N 2.442 122.841 120.570 -0.286 0.000 2.692 317 I HA 0.550 4.720 4.170 -0.000 0.000 0.293 317 I C -0.493 175.451 176.117 -0.288 0.000 1.200 317 I CA -0.600 60.545 61.300 -0.258 0.000 1.036 317 I CB 1.892 39.781 38.000 -0.184 0.000 1.258 317 I HN 0.583 nan 8.210 nan 0.000 0.421 318 G N 5.389 113.965 108.800 -0.372 0.000 2.412 318 G HA2 0.702 4.662 3.960 -0.000 0.000 0.318 318 G HA3 0.702 4.662 3.960 -0.000 0.000 0.318 318 G C -1.605 172.988 174.900 -0.512 0.000 1.146 318 G CA -0.211 44.712 45.100 -0.294 0.000 0.882 318 G HN 0.409 nan 8.290 nan 0.000 0.501 319 F N -0.595 119.339 119.950 -0.027 0.000 2.654 319 F HA 0.334 4.861 4.527 -0.000 0.000 0.308 319 F C -0.157 175.614 175.800 -0.047 0.000 1.108 319 F CA -1.246 56.740 58.000 -0.024 0.000 0.957 319 F CB 2.222 41.196 39.000 -0.043 0.000 1.309 319 F HN 0.387 nan 8.300 nan 0.000 0.446 320 N N 1.736 120.549 118.700 0.188 0.000 2.401 320 N HA 0.055 4.795 4.740 -0.000 0.000 0.255 320 N C 0.765 176.239 175.510 -0.061 0.000 1.110 320 N CA 0.296 53.307 53.050 -0.065 0.000 0.949 320 N CB 1.563 39.789 38.487 -0.435 0.000 1.110 320 N HN 0.639 nan 8.380 nan 0.000 0.490 321 V N 3.799 123.681 119.914 -0.054 0.000 2.568 321 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 321 V C 1.861 177.878 176.094 -0.127 0.000 1.072 321 V CA 2.003 64.248 62.300 -0.092 0.000 1.084 321 V CB -0.334 31.494 31.823 0.010 0.000 0.676 321 V HN 0.726 nan 8.190 nan 0.000 0.469 322 S N -0.794 114.828 115.700 -0.131 0.000 2.383 322 S HA -0.150 4.320 4.470 -0.000 0.000 0.227 322 S C 1.745 176.361 174.600 0.026 0.000 1.026 322 S CA 1.596 59.745 58.200 -0.084 0.000 0.981 322 S CB -0.395 62.741 63.200 -0.107 0.000 0.818 322 S HN 0.735 nan 8.310 nan 0.000 0.472 323 Y N 1.417 121.709 120.300 -0.015 0.000 2.200 323 Y HA -0.034 4.516 4.550 -0.000 0.000 0.290 323 Y C 2.508 178.333 175.900 -0.124 0.000 1.137 323 Y CA -0.386 57.717 58.100 0.005 0.000 1.163 323 Y CB -1.307 37.194 38.460 0.069 0.000 0.988 323 Y HN 0.054 nan 8.280 nan 0.000 0.518 324 V N -0.010 119.840 119.914 -0.107 0.000 2.307 324 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 324 V C 2.444 178.342 176.094 -0.327 0.000 1.045 324 V CA 1.562 63.632 62.300 -0.384 0.000 1.024 324 V CB -0.906 30.430 31.823 -0.811 0.000 0.651 324 V HN 0.320 nan 8.190 nan 0.000 0.449 325 L N -0.200 120.868 121.223 -0.258 0.000 2.083 325 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 325 L C 2.380 179.114 176.870 -0.226 0.000 1.083 325 L CA 1.463 56.190 54.840 -0.188 0.000 0.752 325 L CB -0.759 41.234 42.059 -0.109 0.000 0.899 325 L HN 0.354 nan 8.230 nan 0.000 0.433 326 D N -0.281 119.987 120.400 -0.220 0.000 2.104 326 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 326 D C 2.322 178.182 176.300 -0.734 0.000 0.994 326 D CA 1.191 54.931 54.000 -0.433 0.000 0.830 326 D CB -0.201 40.454 40.800 -0.242 0.000 0.959 326 D HN 0.089 nan 8.370 nan 0.000 0.452 327 V N 1.127 120.750 119.914 -0.486 0.000 2.261 327 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 327 V C 2.669 178.465 176.094 -0.498 0.000 1.047 327 V CA 1.169 63.126 62.300 -0.571 0.000 1.015 327 V CB -0.493 31.107 31.823 -0.372 0.000 0.642 327 V HN 0.214 nan 8.190 nan 0.000 0.446 328 L N -0.071 120.956 121.223 -0.327 0.000 2.131 328 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 328 L C 2.183 178.929 176.870 -0.206 0.000 1.092 328 L CA 1.935 56.647 54.840 -0.212 0.000 0.759 328 L CB -0.805 41.181 42.059 -0.121 0.000 0.903 328 L HN 0.459 nan 8.230 nan 0.000 0.435 329 N N -0.282 118.263 118.700 -0.258 0.000 2.270 329 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 329 N C 1.896 177.260 175.510 -0.243 0.000 1.016 329 N CA 0.828 53.745 53.050 -0.221 0.000 0.870 329 N CB -0.036 38.315 38.487 -0.227 0.000 0.979 329 N HN 0.284 nan 8.380 nan 0.000 0.431 330 A N 0.775 123.369 122.820 -0.376 0.000 2.014 330 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 330 A C 0.760 178.265 177.584 -0.133 0.000 1.163 330 A CA 0.488 52.358 52.037 -0.278 0.000 0.652 330 A CB -0.212 18.552 19.000 -0.393 0.000 0.808 330 A HN 0.132 nan 8.150 nan 0.000 0.449 331 L N 1.424 122.545 121.223 -0.170 0.000 2.281 331 L HA 0.200 4.540 4.340 -0.000 0.000 0.285 331 L C -0.248 176.593 176.870 -0.048 0.000 1.074 331 L CA -0.421 54.378 54.840 -0.067 0.000 0.817 331 L CB 0.857 42.871 42.059 -0.074 0.000 1.168 331 L HN 0.109 nan 8.230 nan 0.000 0.434 332 K N 4.218 124.609 120.400 -0.014 0.000 2.457 332 K HA 0.357 4.677 4.320 -0.000 0.000 0.226 332 K C -0.575 176.025 176.600 0.000 0.000 1.114 332 K CA -0.278 56.001 56.287 -0.013 0.000 1.089 332 K CB 0.796 33.292 32.500 -0.006 0.000 1.739 332 K HN 0.681 nan 8.250 nan 0.000 0.473 333 C N -2.302 116.998 119.300 0.000 0.000 3.285 333 C HA 0.462 4.922 4.460 -0.000 0.000 0.320 333 C C 1.747 176.743 174.990 0.009 0.000 1.411 333 C CA -0.830 58.194 59.018 0.010 0.000 1.429 333 C CB 1.947 29.699 27.740 0.020 0.000 1.812 333 C HN 0.594 nan 8.230 nan 0.000 0.454 334 E N 1.590 121.798 120.200 0.013 0.000 2.028 334 E HA 0.064 4.414 4.350 -0.000 0.000 0.190 334 E C 0.231 176.842 176.600 0.018 0.000 0.984 334 E CA 1.487 57.895 56.400 0.014 0.000 0.800 334 E CB -0.019 29.690 29.700 0.014 0.000 0.758 334 E HN 0.818 nan 8.360 nan 0.000 0.448 335 N N -1.086 117.629 118.700 0.024 0.000 2.292 335 N HA 0.440 5.180 4.740 -0.000 0.000 0.303 335 N C -1.815 173.718 175.510 0.039 0.000 1.140 335 N CA -0.689 52.380 53.050 0.032 0.000 0.788 335 N CB 3.030 41.537 38.487 0.034 0.000 1.361 335 N HN -0.013 nan 8.380 nan 0.000 0.489 336 V N 0.918 120.860 119.914 0.046 0.000 2.680 336 V HA 0.552 4.672 4.120 -0.000 0.000 0.309 336 V C -0.949 175.188 176.094 0.072 0.000 1.052 336 V CA -0.643 61.690 62.300 0.054 0.000 0.908 336 V CB 1.663 33.512 31.823 0.044 0.000 1.001 336 V HN 0.657 nan 8.190 nan 0.000 0.431 337 R N 5.739 126.288 120.500 0.082 0.000 2.562 337 R HA 0.734 5.074 4.340 -0.000 0.000 0.298 337 R C -1.246 175.118 176.300 0.106 0.000 0.961 337 R CA -0.698 55.463 56.100 0.102 0.000 0.881 337 R CB 1.741 32.103 30.300 0.104 0.000 1.159 337 R HN 0.826 nan 8.270 nan 0.000 0.450 338 M N 4.642 124.313 119.600 0.119 0.000 2.326 338 M HA 0.387 4.867 4.480 -0.000 0.000 0.306 338 M C -1.347 175.007 176.300 0.090 0.000 1.054 338 M CA -0.933 54.427 55.300 0.100 0.000 0.922 338 M CB 2.446 35.102 32.600 0.095 0.000 1.632 338 M HN 0.402 nan 8.290 nan 0.000 0.436 339 M N 4.349 123.978 119.600 0.048 0.000 2.181 339 M HA 0.636 5.116 4.480 -0.000 0.000 0.323 339 M C -1.272 175.000 176.300 -0.047 0.000 1.004 339 M CA -0.104 55.150 55.300 -0.077 0.000 0.941 339 M CB 1.532 34.120 32.600 -0.019 0.000 1.579 339 M HN 0.450 nan 8.290 nan 0.000 0.427 340 L N 0.724 121.891 121.223 -0.094 0.000 2.283 340 L HA 0.908 5.248 4.340 -0.000 0.000 0.259 340 L C 0.811 177.663 176.870 -0.031 0.000 1.027 340 L CA -0.478 54.361 54.840 -0.002 0.000 0.828 340 L CB 1.868 43.971 42.059 0.072 0.000 1.380 340 L HN 0.876 nan 8.230 nan 0.000 0.425 341 T N -3.520 111.039 114.554 0.008 0.000 3.216 341 T HA 0.385 4.735 4.350 -0.000 0.000 0.167 341 T C -0.247 174.462 174.700 0.015 0.000 0.905 341 T CA 0.299 62.403 62.100 0.007 0.000 1.042 341 T CB -0.155 68.717 68.868 0.007 0.000 1.787 341 T HN 0.614 nan 8.240 nan 0.000 0.355 342 D N 0.554 120.957 120.400 0.005 0.000 2.494 342 D HA 0.577 5.216 4.640 -0.000 0.000 0.259 342 D C 0.863 177.145 176.300 -0.031 0.000 1.109 342 D CA -0.686 53.310 54.000 -0.007 0.000 1.040 342 D CB 0.926 41.719 40.800 -0.012 0.000 1.175 342 D HN 0.146 nan 8.370 nan 0.000 0.584 343 S N -1.261 114.407 115.700 -0.053 0.000 2.469 343 S HA -0.065 4.405 4.470 -0.000 0.000 0.238 343 S C 1.482 176.000 174.600 -0.137 0.000 0.998 343 S CA 0.869 59.008 58.200 -0.102 0.000 0.957 343 S CB -0.404 62.735 63.200 -0.101 0.000 0.764 343 S HN 0.547 nan 8.310 nan 0.000 0.514 344 V N -2.239 117.617 119.914 -0.096 0.000 3.159 344 V HA 0.462 4.582 4.120 -0.000 0.000 0.333 344 V C 0.068 176.123 176.094 -0.066 0.000 1.424 344 V CA -0.500 61.740 62.300 -0.100 0.000 1.125 344 V CB 0.207 31.983 31.823 -0.078 0.000 1.075 344 V HN 0.110 nan 8.190 nan 0.000 0.482 345 S N 0.489 116.162 115.700 -0.045 0.000 2.664 345 S HA 0.618 5.088 4.470 -0.000 0.000 0.304 345 S C 0.341 174.957 174.600 0.026 0.000 1.099 345 S CA -0.356 57.839 58.200 -0.008 0.000 1.003 345 S CB 1.699 64.899 63.200 -0.000 0.000 1.092 345 S HN 0.493 nan 8.310 nan 0.000 0.525 346 S N 1.029 116.758 115.700 0.048 0.000 2.561 346 S HA 0.177 4.646 4.470 -0.000 0.000 0.294 346 S C -0.359 174.312 174.600 0.119 0.000 1.294 346 S CA -0.277 57.977 58.200 0.090 0.000 1.055 346 S CB 0.088 63.331 63.200 0.071 0.000 0.819 346 S HN 0.455 nan 8.310 nan 0.000 0.503 347 V N 3.357 123.379 119.914 0.180 0.000 2.531 347 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 347 V C -0.062 176.107 176.094 0.125 0.000 1.034 347 V CA -0.703 61.705 62.300 0.179 0.000 0.865 347 V CB 1.743 33.761 31.823 0.325 0.000 0.995 347 V HN 0.861 nan 8.190 nan 0.000 0.424 348 Q N 4.231 124.088 119.800 0.096 0.000 2.256 348 Q HA 0.744 5.084 4.340 -0.000 0.000 0.257 348 Q C -1.429 174.630 176.000 0.097 0.000 0.936 348 Q CA -0.449 55.413 55.803 0.098 0.000 0.903 348 Q CB 1.614 30.405 28.738 0.088 0.000 1.263 348 Q HN 0.736 nan 8.270 nan 0.000 0.440 349 I N 3.370 124.017 120.570 0.129 0.000 2.545 349 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 349 I C -0.756 175.487 176.117 0.210 0.000 1.040 349 I CA -0.624 60.752 61.300 0.126 0.000 1.068 349 I CB 2.103 40.140 38.000 0.061 0.000 1.251 349 I HN 0.769 nan 8.210 nan 0.000 0.424 350 E N 2.920 123.217 120.200 0.162 0.000 2.429 350 E HA 0.265 4.615 4.350 -0.000 0.000 0.280 350 E C -1.769 174.903 176.600 0.121 0.000 1.068 350 E CA -0.979 55.531 56.400 0.183 0.000 0.837 350 E CB 1.456 31.237 29.700 0.135 0.000 1.357 350 E HN 0.370 nan 8.360 nan 0.000 0.455 351 D N 0.256 120.726 120.400 0.116 0.000 2.417 351 D HA 0.126 4.766 4.640 -0.000 0.000 0.250 351 D C 0.734 177.074 176.300 0.066 0.000 1.166 351 D CA 0.594 54.641 54.000 0.077 0.000 0.881 351 D CB 1.567 42.411 40.800 0.073 0.000 1.164 351 D HN 0.587 nan 8.370 nan 0.000 0.467 352 A N 3.686 126.541 122.820 0.057 0.000 2.125 352 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 352 A C 1.735 179.344 177.584 0.042 0.000 1.156 352 A CA 1.552 53.621 52.037 0.053 0.000 0.671 352 A CB -0.107 18.922 19.000 0.049 0.000 0.794 352 A HN 0.597 nan 8.150 nan 0.000 0.459 353 A N -1.656 121.186 122.820 0.038 0.000 2.348 353 A HA 0.543 4.863 4.320 -0.000 0.000 0.224 353 A C 0.720 178.321 177.584 0.029 0.000 1.227 353 A CA 0.708 52.763 52.037 0.030 0.000 0.885 353 A CB -0.072 18.944 19.000 0.025 0.000 0.933 353 A HN 0.519 nan 8.150 nan 0.000 0.506 354 S N -1.183 114.538 115.700 0.035 0.000 2.533 354 S HA 0.408 4.878 4.470 -0.000 0.000 0.271 354 S C -0.430 174.190 174.600 0.033 0.000 1.143 354 S CA -0.436 57.782 58.200 0.030 0.000 0.891 354 S CB 1.318 64.536 63.200 0.030 0.000 1.105 354 S HN 0.325 nan 8.310 nan 0.000 0.468 355 Q N 1.637 121.449 119.800 0.020 0.000 2.219 355 Q HA 0.109 4.449 4.340 -0.000 0.000 0.209 355 Q C 1.585 177.579 176.000 -0.010 0.000 0.854 355 Q CA 0.336 56.148 55.803 0.014 0.000 0.960 355 Q CB 0.457 29.205 28.738 0.016 0.000 1.116 355 Q HN 0.830 nan 8.270 nan 0.000 0.500 356 S N 0.028 115.720 115.700 -0.014 0.000 2.419 356 S HA 0.018 4.488 4.470 -0.000 0.000 0.233 356 S C 0.923 175.474 174.600 -0.082 0.000 1.016 356 S CA 0.513 58.689 58.200 -0.040 0.000 0.974 356 S CB 0.097 63.282 63.200 -0.026 0.000 0.786 356 S HN 0.276 nan 8.310 nan 0.000 0.492 357 A N 0.242 123.018 122.820 -0.072 0.000 2.435 357 A HA 0.900 5.220 4.320 -0.000 0.000 0.304 357 A C -0.521 176.945 177.584 -0.198 0.000 1.064 357 A CA -0.383 51.550 52.037 -0.172 0.000 0.727 357 A CB 1.721 20.668 19.000 -0.087 0.000 1.284 357 A HN 1.068 nan 8.150 nan 0.000 0.415 358 A N 0.702 123.266 122.820 -0.427 0.000 2.515 358 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 358 A C -1.799 175.447 177.584 -0.564 0.000 1.059 358 A CA -0.401 51.463 52.037 -0.288 0.000 0.698 358 A CB 0.976 19.908 19.000 -0.113 0.000 1.289 358 A HN 0.895 nan 8.150 nan 0.000 0.404 359 Y N 0.177 120.495 120.300 0.029 0.000 2.425 359 Y HA 0.595 5.145 4.550 -0.000 0.000 0.344 359 Y C -0.154 175.766 175.900 0.035 0.000 0.969 359 Y CA -0.910 57.211 58.100 0.034 0.000 1.052 359 Y CB 2.445 40.949 38.460 0.073 0.000 1.215 359 Y HN 0.429 nan 8.280 nan 0.000 0.451 360 V N 3.950 123.958 119.914 0.157 0.000 2.540 360 V HA 0.633 4.753 4.120 -0.000 0.000 0.302 360 V C -0.874 175.291 176.094 0.117 0.000 1.035 360 V CA -0.843 61.530 62.300 0.121 0.000 0.873 360 V CB 1.835 33.714 31.823 0.093 0.000 0.992 360 V HN 0.551 nan 8.190 nan 0.000 0.428 361 V N 5.252 125.249 119.914 0.139 0.000 2.588 361 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 361 V C -0.174 176.107 176.094 0.312 0.000 1.042 361 V CA -0.690 61.717 62.300 0.179 0.000 0.877 361 V CB 2.010 33.903 31.823 0.115 0.000 0.996 361 V HN 0.718 nan 8.190 nan 0.000 0.425 362 M N 7.292 127.036 119.600 0.240 0.000 2.216 362 M HA 0.414 4.894 4.480 -0.000 0.000 0.356 362 M C -2.159 174.238 176.300 0.162 0.000 1.205 362 M CA -2.507 52.896 55.300 0.173 0.000 1.122 362 M CB 1.095 33.753 32.600 0.097 0.000 1.571 362 M HN 0.391 nan 8.290 nan 0.000 0.464 363 P HA 0.363 nan 4.420 nan 0.000 0.279 363 P C -1.150 175.984 177.300 -0.276 0.000 1.282 363 P CA -0.416 62.354 63.100 -0.550 0.000 0.788 363 P CB 0.615 31.831 31.700 -0.805 0.000 1.139 364 M N -1.510 117.904 119.600 -0.310 0.000 2.602 364 M HA 0.564 5.044 4.480 -0.000 0.000 0.312 364 M C -0.157 176.021 176.300 -0.202 0.000 1.181 364 M CA -1.028 54.155 55.300 -0.195 0.000 0.910 364 M CB 2.320 34.838 32.600 -0.137 0.000 1.723 364 M HN 0.048 nan 8.290 nan 0.000 0.459 365 R N 2.391 122.794 120.500 -0.162 0.000 2.272 365 R HA 0.594 4.934 4.340 -0.000 0.000 0.334 365 R C -0.980 175.242 176.300 -0.131 0.000 1.117 365 R CA 0.081 56.095 56.100 -0.142 0.000 0.966 365 R CB -0.017 30.212 30.300 -0.118 0.000 1.049 365 R HN 0.623 nan 8.270 nan 0.000 0.477 366 L N 0.000 121.146 121.223 -0.128 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 366 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 366 L CB 0.000 42.006 42.059 -0.088 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502