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 1mmi_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 0.000 176.331 176.300 0.051 0.000 1.140 1 M CA 0.000 55.341 55.300 0.068 0.000 0.988 1 M CB 0.000 32.647 32.600 0.079 0.000 1.302 2 K N 4.959 125.420 120.400 0.102 0.000 2.523 2 K HA 0.812 5.132 4.320 -0.000 0.000 0.257 2 K C -2.218 174.505 176.600 0.205 0.000 0.932 2 K CA -0.478 55.834 56.287 0.042 0.000 0.812 2 K CB 2.056 34.566 32.500 0.017 0.000 1.326 2 K HN 0.568 nan 8.250 nan 0.000 0.433 3 F N -1.196 118.809 119.950 0.092 0.000 2.678 3 F HA 0.525 5.052 4.527 -0.000 0.000 0.308 3 F C -1.573 174.286 175.800 0.097 0.000 1.118 3 F CA -0.769 57.298 58.000 0.111 0.000 0.959 3 F CB 2.029 41.084 39.000 0.092 0.000 1.305 3 F HN 0.239 nan 8.300 nan 0.000 0.443 4 T N 2.703 117.449 114.554 0.319 0.000 2.812 4 T HA 0.718 5.068 4.350 -0.000 0.000 0.282 4 T C -1.229 173.639 174.700 0.280 0.000 0.990 4 T CA -0.661 61.575 62.100 0.227 0.000 0.960 4 T CB 1.686 70.631 68.868 0.128 0.000 0.948 4 T HN 0.645 nan 8.240 nan 0.000 0.438 5 V N 2.163 122.246 119.914 0.281 0.000 2.888 5 V HA 0.404 4.524 4.120 -0.000 0.000 0.309 5 V C -0.251 175.935 176.094 0.154 0.000 1.114 5 V CA -1.030 61.410 62.300 0.233 0.000 0.940 5 V CB 2.323 34.302 31.823 0.261 0.000 1.021 5 V HN 0.771 nan 8.190 nan 0.000 0.426 6 E N 2.936 123.196 120.200 0.101 0.000 2.360 6 E HA 0.116 4.466 4.350 -0.000 0.000 0.269 6 E C 1.148 177.734 176.600 -0.023 0.000 1.022 6 E CA 0.004 56.397 56.400 -0.013 0.000 0.887 6 E CB 0.974 30.574 29.700 -0.165 0.000 0.990 6 E HN 0.639 nan 8.360 nan 0.000 0.426 7 R N 3.509 123.991 120.500 -0.029 0.000 2.133 7 R HA -0.260 4.080 4.340 -0.000 0.000 0.245 7 R C 1.188 177.466 176.300 -0.037 0.000 1.137 7 R CA 2.467 58.548 56.100 -0.032 0.000 0.947 7 R CB -0.001 30.270 30.300 -0.049 0.000 0.865 7 R HN 0.432 nan 8.270 nan 0.000 0.437 8 E N -0.972 119.173 120.200 -0.091 0.000 2.463 8 E HA -0.131 4.219 4.350 -0.000 0.000 0.201 8 E C 1.160 177.775 176.600 0.026 0.000 1.045 8 E CA 1.143 57.504 56.400 -0.066 0.000 0.872 8 E CB -0.027 29.605 29.700 -0.113 0.000 0.797 8 E HN 0.643 nan 8.360 nan 0.000 0.538 9 H N -1.819 117.258 119.070 0.012 0.000 2.592 9 H HA 0.150 4.706 4.556 -0.000 0.000 0.265 9 H C 1.288 176.620 175.328 0.007 0.000 0.955 9 H CA -0.116 55.933 56.048 0.003 0.000 1.175 9 H CB 0.605 30.363 29.762 -0.006 0.000 1.433 9 H HN 0.039 nan 8.280 nan 0.000 0.537 10 L N -0.181 121.120 121.223 0.130 0.000 2.425 10 L HA 0.026 4.366 4.340 -0.000 0.000 0.215 10 L C 1.681 178.600 176.870 0.082 0.000 1.065 10 L CA 0.640 55.531 54.840 0.085 0.000 0.842 10 L CB -0.063 42.038 42.059 0.070 0.000 1.033 10 L HN 0.133 nan 8.230 nan 0.000 0.474 11 L N 0.350 121.621 121.223 0.080 0.000 1.970 11 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 11 L C 2.578 179.559 176.870 0.185 0.000 1.071 11 L CA 2.034 56.949 54.840 0.126 0.000 0.751 11 L CB -0.902 41.203 42.059 0.076 0.000 0.889 11 L HN 0.326 nan 8.230 nan 0.000 0.432 12 K N -0.917 119.579 120.400 0.159 0.000 2.032 12 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 12 K C -0.392 176.332 176.600 0.206 0.000 1.048 12 K CA 1.731 58.123 56.287 0.175 0.000 0.927 12 K CB -0.990 31.634 32.500 0.206 0.000 0.712 12 K HN 0.250 nan 8.250 nan 0.000 0.441 13 P HA -0.162 nan 4.420 nan 0.000 0.215 13 P C 1.290 178.665 177.300 0.126 0.000 1.153 13 P CA 0.890 64.194 63.100 0.340 0.000 0.853 13 P CB 0.054 31.886 31.700 0.220 0.000 0.788 14 L N -0.280 120.992 121.223 0.082 0.000 2.017 14 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 14 L C 2.555 179.295 176.870 -0.217 0.000 1.073 14 L CA 1.878 56.728 54.840 0.016 0.000 0.745 14 L CB -1.507 40.613 42.059 0.102 0.000 0.894 14 L HN -0.040 nan 8.230 nan 0.000 0.432 15 Q N -1.592 118.037 119.800 -0.284 0.000 2.096 15 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 15 Q C 2.167 177.925 176.000 -0.404 0.000 0.982 15 Q CA 1.529 56.965 55.803 -0.611 0.000 0.850 15 Q CB 0.035 28.613 28.738 -0.267 0.000 0.901 15 Q HN 0.508 nan 8.270 nan 0.000 0.422 16 Q N -0.437 119.185 119.800 -0.298 0.000 2.046 16 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 16 Q C 2.265 178.104 176.000 -0.269 0.000 0.975 16 Q CA 1.901 57.480 55.803 -0.374 0.000 0.836 16 Q CB -0.275 28.040 28.738 -0.705 0.000 0.896 16 Q HN 0.519 nan 8.270 nan 0.000 0.428 17 V N -1.343 118.466 119.914 -0.175 0.000 2.719 17 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 17 V C 2.154 178.205 176.094 -0.071 0.000 1.065 17 V CA 1.721 63.976 62.300 -0.075 0.000 1.086 17 V CB -0.661 31.164 31.823 0.003 0.000 0.700 17 V HN 0.289 nan 8.190 nan 0.000 0.467 18 S N 0.658 116.270 115.700 -0.146 0.000 2.456 18 S HA 0.190 4.660 4.470 -0.000 0.000 0.224 18 S C 2.109 176.607 174.600 -0.170 0.000 1.035 18 S CA 0.715 58.834 58.200 -0.135 0.000 0.940 18 S CB -0.533 62.565 63.200 -0.171 0.000 0.799 18 S HN 0.824 nan 8.310 nan 0.000 0.508 19 G N 3.869 112.516 108.800 -0.256 0.000 2.859 19 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.236 19 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.236 19 G C -0.454 174.383 174.900 -0.105 0.000 1.207 19 G CA 1.610 46.590 45.100 -0.200 0.000 0.769 19 G HN 0.644 nan 8.290 nan 0.000 0.674 20 P HA 0.246 nan 4.420 nan 0.000 0.253 20 P C -0.052 177.245 177.300 -0.006 0.000 1.260 20 P CA -0.090 62.990 63.100 -0.033 0.000 0.800 20 P CB 0.157 31.843 31.700 -0.023 0.000 1.162 21 L N 0.302 121.523 121.223 -0.004 0.000 2.375 21 L HA 0.477 4.817 4.340 -0.000 0.000 0.271 21 L C 1.464 178.346 176.870 0.021 0.000 1.107 21 L CA -0.372 54.481 54.840 0.022 0.000 0.806 21 L CB 0.125 42.209 42.059 0.042 0.000 1.146 21 L HN -0.054 nan 8.230 nan 0.000 0.447 22 G N 0.750 109.567 108.800 0.028 0.000 2.563 22 G HA2 0.415 4.375 3.960 -0.000 0.000 0.283 22 G HA3 0.415 4.375 3.960 -0.000 0.000 0.283 22 G C 0.762 175.685 174.900 0.039 0.000 1.309 22 G CA 0.032 45.149 45.100 0.029 0.000 1.022 22 G HN 0.800 nan 8.290 nan 0.000 0.501 23 G N -1.646 107.177 108.800 0.038 0.000 2.838 23 G HA2 0.280 4.240 3.960 -0.000 0.000 0.210 23 G HA3 0.280 4.240 3.960 -0.000 0.000 0.210 23 G C 0.867 175.793 174.900 0.043 0.000 1.153 23 G CA 0.058 45.185 45.100 0.046 0.000 0.778 23 G HN 0.548 nan 8.290 nan 0.000 0.539 24 R N 0.390 120.911 120.500 0.036 0.000 2.621 24 R HA 0.226 4.566 4.340 -0.000 0.000 0.187 24 R C -2.646 173.669 176.300 0.025 0.000 1.340 24 R CA -0.888 55.230 56.100 0.031 0.000 1.251 24 R CB -0.277 30.040 30.300 0.028 0.000 1.465 24 R HN 0.069 nan 8.270 nan 0.000 0.763 25 P HA 0.093 nan 4.420 nan 0.000 0.268 25 P C 0.628 177.935 177.300 0.013 0.000 1.208 25 P CA -0.048 63.061 63.100 0.016 0.000 0.777 25 P CB 0.746 32.455 31.700 0.015 0.000 0.875 26 T N -0.387 114.171 114.554 0.008 0.000 2.665 26 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 26 T C 1.024 175.726 174.700 0.003 0.000 1.035 26 T CA 0.722 62.826 62.100 0.005 0.000 1.151 26 T CB -0.351 68.517 68.868 0.001 0.000 0.862 26 T HN 0.347 nan 8.240 nan 0.000 0.438 27 L N 3.458 124.680 121.223 -0.002 0.000 2.288 27 L HA 0.276 4.616 4.340 -0.000 0.000 0.283 27 L C -2.020 174.848 176.870 -0.002 0.000 1.072 27 L CA -2.064 52.772 54.840 -0.007 0.000 0.862 27 L CB 1.461 43.507 42.059 -0.021 0.000 1.245 27 L HN -0.006 nan 8.230 nan 0.000 0.432 28 P HA -0.128 nan 4.420 nan 0.000 0.218 28 P C 1.600 178.922 177.300 0.036 0.000 1.149 28 P CA 1.054 64.168 63.100 0.024 0.000 0.817 28 P CB 0.393 32.109 31.700 0.027 0.000 0.785 29 I N -1.293 119.293 120.570 0.028 0.000 2.700 29 I HA -0.184 3.986 4.170 -0.000 0.000 0.261 29 I C 1.220 177.369 176.117 0.053 0.000 1.219 29 I CA 0.859 62.195 61.300 0.059 0.000 1.463 29 I CB -0.083 37.944 38.000 0.046 0.000 1.092 29 I HN -0.151 nan 8.210 nan 0.000 0.452 30 L N 0.356 121.575 121.223 -0.006 0.000 2.465 30 L HA 0.043 4.383 4.340 -0.000 0.000 0.224 30 L C 2.293 179.199 176.870 0.060 0.000 1.145 30 L CA 1.273 56.104 54.840 -0.015 0.000 0.834 30 L CB -1.358 40.675 42.059 -0.044 0.000 0.944 30 L HN 0.242 nan 8.230 nan 0.000 0.451 31 G N -1.735 107.108 108.800 0.072 0.000 2.985 31 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 31 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 31 G C 0.642 175.611 174.900 0.116 0.000 1.165 31 G CA -0.127 45.022 45.100 0.082 0.000 0.776 31 G HN 0.291 nan 8.290 nan 0.000 0.541 32 N N -0.258 118.540 118.700 0.163 0.000 2.472 32 N HA 0.563 5.303 4.740 -0.000 0.000 0.289 32 N C -0.420 175.227 175.510 0.228 0.000 1.156 32 N CA -0.525 52.631 53.050 0.177 0.000 0.940 32 N CB 1.739 40.332 38.487 0.177 0.000 1.200 32 N HN -0.077 nan 8.380 nan 0.000 0.511 33 L N 0.952 122.246 121.223 0.119 0.000 2.357 33 L HA 0.452 4.792 4.340 -0.000 0.000 0.273 33 L C -0.263 176.488 176.870 -0.198 0.000 1.080 33 L CA -1.039 53.809 54.840 0.013 0.000 0.803 33 L CB 0.829 42.928 42.059 0.066 0.000 1.174 33 L HN 0.269 nan 8.230 nan 0.000 0.443 34 L N 3.228 124.130 121.223 -0.535 0.000 2.264 34 L HA 0.477 4.816 4.340 -0.000 0.000 0.289 34 L C -0.971 175.726 176.870 -0.289 0.000 1.044 34 L CA -0.051 54.411 54.840 -0.630 0.000 0.807 34 L CB 0.965 42.288 42.059 -1.226 0.000 1.192 34 L HN 0.294 nan 8.230 nan 0.000 0.425 35 L N 5.388 126.513 121.223 -0.163 0.000 2.307 35 L HA 0.589 4.929 4.340 -0.000 0.000 0.284 35 L C -0.370 176.470 176.870 -0.050 0.000 1.023 35 L CA 0.019 54.819 54.840 -0.067 0.000 0.810 35 L CB 1.667 43.737 42.059 0.019 0.000 1.231 35 L HN 0.636 nan 8.230 nan 0.000 0.423 36 Q N 2.427 122.197 119.800 -0.050 0.000 2.294 36 Q HA 0.541 4.881 4.340 -0.000 0.000 0.264 36 Q C -1.421 174.566 176.000 -0.022 0.000 0.992 36 Q CA -0.496 55.289 55.803 -0.028 0.000 0.747 36 Q CB 2.868 31.579 28.738 -0.044 0.000 1.262 36 Q HN 0.344 nan 8.270 nan 0.000 0.452 37 V N 1.789 121.721 119.914 0.030 0.000 2.370 37 V HA 0.856 4.976 4.120 -0.000 0.000 0.279 37 V C -0.379 175.751 176.094 0.061 0.000 1.029 37 V CA -0.347 61.983 62.300 0.051 0.000 0.870 37 V CB 1.200 33.115 31.823 0.154 0.000 0.984 37 V HN 0.797 nan 8.190 nan 0.000 0.451 38 A N 3.321 126.167 122.820 0.043 0.000 2.491 38 A HA 0.650 4.970 4.320 -0.000 0.000 0.293 38 A C -0.219 177.388 177.584 0.039 0.000 1.047 38 A CA -0.487 51.576 52.037 0.043 0.000 0.735 38 A CB 0.994 20.003 19.000 0.016 0.000 1.281 38 A HN 0.737 nan 8.150 nan 0.000 0.398 39 D N 1.272 121.712 120.400 0.066 0.000 2.800 39 D HA -0.113 4.527 4.640 -0.000 0.000 0.232 39 D C 1.161 177.494 176.300 0.055 0.000 1.137 39 D CA 3.135 57.168 54.000 0.056 0.000 0.718 39 D CB -1.038 39.773 40.800 0.018 0.000 1.084 39 D HN 2.317 nan 8.370 nan 0.000 0.432 40 G N -1.360 107.506 108.800 0.109 0.000 2.160 40 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 40 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 40 G C 0.337 175.114 174.900 -0.204 0.000 1.008 40 G CA 0.571 45.626 45.100 -0.074 0.000 0.724 40 G HN 0.592 nan 8.290 nan 0.000 0.514 41 T N -0.081 114.386 114.554 -0.145 0.000 2.886 41 T HA 0.539 4.889 4.350 -0.000 0.000 0.292 41 T C -0.531 174.073 174.700 -0.159 0.000 1.012 41 T CA -0.544 61.465 62.100 -0.153 0.000 0.982 41 T CB 2.097 70.907 68.868 -0.097 0.000 1.018 41 T HN 0.686 nan 8.240 nan 0.000 0.451 42 L N 3.454 124.545 121.223 -0.220 0.000 2.265 42 L HA 0.635 4.975 4.340 -0.000 0.000 0.288 42 L C -0.259 176.505 176.870 -0.178 0.000 1.058 42 L CA 0.291 54.975 54.840 -0.260 0.000 0.809 42 L CB 0.666 42.427 42.059 -0.496 0.000 1.179 42 L HN 0.554 nan 8.230 nan 0.000 0.429 43 S N 5.679 121.303 115.700 -0.126 0.000 2.475 43 S HA 0.772 5.242 4.470 -0.000 0.000 0.298 43 S C -0.763 173.790 174.600 -0.078 0.000 1.119 43 S CA -0.473 57.676 58.200 -0.084 0.000 1.085 43 S CB 1.306 64.472 63.200 -0.057 0.000 1.028 43 S HN 0.466 nan 8.310 nan 0.000 0.489 44 L N 2.680 123.878 121.223 -0.042 0.000 2.349 44 L HA 0.560 4.900 4.340 -0.000 0.000 0.278 44 L C -0.067 176.794 176.870 -0.015 0.000 0.996 44 L CA -0.183 54.644 54.840 -0.022 0.000 0.825 44 L CB 1.921 44.000 42.059 0.034 0.000 1.243 44 L HN 0.553 nan 8.230 nan 0.000 0.412 45 T N 1.294 115.805 114.554 -0.071 0.000 2.841 45 T HA 0.784 5.134 4.350 -0.000 0.000 0.283 45 T C -0.003 174.727 174.700 0.050 0.000 1.000 45 T CA -0.789 61.303 62.100 -0.014 0.000 0.977 45 T CB 1.875 70.723 68.868 -0.033 0.000 0.979 45 T HN 0.709 nan 8.240 nan 0.000 0.446 46 G N 0.504 109.400 108.800 0.159 0.000 2.482 46 G HA2 0.672 4.632 3.960 -0.000 0.000 0.317 46 G HA3 0.672 4.632 3.960 -0.000 0.000 0.317 46 G C -1.045 174.006 174.900 0.252 0.000 1.241 46 G CA -0.544 44.704 45.100 0.246 0.000 0.967 46 G HN 0.749 nan 8.290 nan 0.000 0.482 47 T N -0.927 113.766 114.554 0.231 0.000 2.868 47 T HA 0.474 4.824 4.350 -0.000 0.000 0.306 47 T C -0.980 173.734 174.700 0.024 0.000 1.224 47 T CA -0.384 61.773 62.100 0.095 0.000 1.012 47 T CB 1.926 70.810 68.868 0.027 0.000 1.221 47 T HN 0.588 nan 8.240 nan 0.000 0.499 48 D N 2.512 122.919 120.400 0.010 0.000 2.571 48 D HA 0.259 4.899 4.640 -0.000 0.000 0.239 48 D C 1.093 177.374 176.300 -0.032 0.000 1.267 48 D CA -0.321 53.672 54.000 -0.011 0.000 0.823 48 D CB 0.083 40.891 40.800 0.013 0.000 1.056 48 D HN 0.337 nan 8.370 nan 0.000 0.494 49 L N -0.467 120.725 121.223 -0.051 0.000 4.342 49 L HA -0.226 4.114 4.340 -0.000 0.000 0.395 49 L C 1.402 178.247 176.870 -0.042 0.000 0.764 49 L CA 1.436 56.242 54.840 -0.057 0.000 2.417 49 L CB -1.243 40.781 42.059 -0.059 0.000 1.210 49 L HN 0.222 nan 8.230 nan 0.000 0.626 50 E N -0.642 119.541 120.200 -0.029 0.000 2.162 50 E HA 0.226 4.576 4.350 -0.000 0.000 0.193 50 E C 0.880 177.449 176.600 -0.052 0.000 0.953 50 E CA 1.153 57.533 56.400 -0.033 0.000 0.849 50 E CB 0.390 30.085 29.700 -0.009 0.000 0.810 50 E HN 0.633 nan 8.360 nan 0.000 0.470 51 M N -0.856 118.730 119.600 -0.024 0.000 2.658 51 M HA 0.581 5.061 4.480 -0.000 0.000 0.295 51 M C -0.880 175.415 176.300 -0.008 0.000 1.248 51 M CA -0.725 54.540 55.300 -0.058 0.000 0.843 51 M CB 3.046 35.692 32.600 0.076 0.000 1.749 51 M HN -0.278 nan 8.290 nan 0.000 0.464 52 E N 1.840 122.008 120.200 -0.054 0.000 2.366 52 E HA 0.634 4.984 4.350 -0.000 0.000 0.278 52 E C -2.188 174.479 176.600 0.112 0.000 0.923 52 E CA -0.749 55.683 56.400 0.053 0.000 0.761 52 E CB 2.555 32.281 29.700 0.043 0.000 1.231 52 E HN 0.833 nan 8.360 nan 0.000 0.443 53 M N 2.978 122.681 119.600 0.172 0.000 2.151 53 M HA 0.362 4.842 4.480 -0.000 0.000 0.290 53 M C -1.429 174.946 176.300 0.125 0.000 0.965 53 M CA -0.573 54.841 55.300 0.191 0.000 0.930 53 M CB 2.100 34.788 32.600 0.146 0.000 1.560 53 M HN 0.211 nan 8.290 nan 0.000 0.438 54 V N 2.101 122.089 119.914 0.123 0.000 2.540 54 V HA 0.972 5.092 4.120 -0.000 0.000 0.302 54 V C -0.370 175.812 176.094 0.147 0.000 1.035 54 V CA -0.867 61.492 62.300 0.099 0.000 0.873 54 V CB 1.627 33.491 31.823 0.069 0.000 0.992 54 V HN 0.908 nan 8.190 nan 0.000 0.428 55 A N 5.227 128.136 122.820 0.148 0.000 2.356 55 A HA 0.921 5.241 4.320 -0.000 0.000 0.323 55 A C -0.407 177.182 177.584 0.008 0.000 1.119 55 A CA -0.872 51.270 52.037 0.175 0.000 0.790 55 A CB 1.466 20.675 19.000 0.348 0.000 1.273 55 A HN 0.780 nan 8.150 nan 0.000 0.452 56 R N 0.528 120.976 120.500 -0.086 0.000 2.480 56 R HA 0.545 4.885 4.340 -0.000 0.000 0.306 56 R C -1.267 174.938 176.300 -0.158 0.000 0.958 56 R CA -0.637 55.397 56.100 -0.111 0.000 0.861 56 R CB 1.999 32.242 30.300 -0.096 0.000 1.171 56 R HN 0.725 nan 8.270 nan 0.000 0.445 57 V N 0.132 119.952 119.914 -0.157 0.000 2.444 57 V HA 0.717 4.837 4.120 -0.000 0.000 0.294 57 V C 0.045 176.029 176.094 -0.184 0.000 1.022 57 V CA -0.745 61.449 62.300 -0.176 0.000 0.850 57 V CB 1.470 33.202 31.823 -0.152 0.000 0.992 57 V HN 0.878 nan 8.190 nan 0.000 0.426 58 A N 6.366 129.079 122.820 -0.177 0.000 2.488 58 A HA 0.597 4.917 4.320 -0.000 0.000 0.249 58 A C -0.289 177.189 177.584 -0.177 0.000 1.083 58 A CA -0.166 51.770 52.037 -0.167 0.000 0.768 58 A CB 0.038 18.953 19.000 -0.142 0.000 1.017 58 A HN 0.958 nan 8.150 nan 0.000 0.496 59 L N 3.870 124.953 121.223 -0.233 0.000 2.255 59 L HA 0.268 4.608 4.340 -0.000 0.000 0.289 59 L C 1.176 177.955 176.870 -0.152 0.000 1.046 59 L CA 0.244 54.937 54.840 -0.246 0.000 0.816 59 L CB 1.141 42.877 42.059 -0.539 0.000 1.197 59 L HN 0.667 nan 8.230 nan 0.000 0.427 60 V N 0.642 120.533 119.914 -0.038 0.000 3.647 60 V HA 0.254 4.374 4.120 -0.000 0.000 0.279 60 V C 0.657 176.796 176.094 0.076 0.000 1.314 60 V CA 0.049 62.359 62.300 0.018 0.000 1.125 60 V CB -0.607 31.229 31.823 0.021 0.000 0.907 60 V HN 0.758 nan 8.190 nan 0.000 0.434 61 Q N 0.607 120.473 119.800 0.110 0.000 2.359 61 Q HA 0.532 4.872 4.340 -0.000 0.000 0.275 61 Q C -2.805 173.362 176.000 0.277 0.000 1.082 61 Q CA -2.478 53.418 55.803 0.155 0.000 0.849 61 Q CB 1.147 29.966 28.738 0.135 0.000 1.377 61 Q HN 0.097 nan 8.270 nan 0.000 0.452 62 P HA -0.075 nan 4.420 nan 0.000 0.264 62 P C -1.180 176.247 177.300 0.211 0.000 1.183 62 P CA 0.741 63.932 63.100 0.152 0.000 0.763 62 P CB 0.358 32.094 31.700 0.060 0.000 0.807 63 H N 0.053 119.164 119.070 0.069 0.000 2.990 63 H HA 0.585 5.141 4.556 -0.000 0.000 0.336 63 H C -1.183 174.186 175.328 0.069 0.000 1.306 63 H CA -0.988 55.118 56.048 0.096 0.000 1.118 63 H CB 1.565 31.402 29.762 0.126 0.000 1.856 63 H HN 0.337 nan 8.280 nan 0.000 0.538 64 E N 1.258 121.519 120.200 0.102 0.000 2.308 64 E HA 0.297 4.647 4.350 -0.000 0.000 0.275 64 E C -2.889 173.772 176.600 0.101 0.000 0.890 64 E CA -2.064 54.354 56.400 0.030 0.000 0.754 64 E CB 3.359 33.069 29.700 0.017 0.000 1.207 64 E HN 0.343 nan 8.360 nan 0.000 0.426 65 P HA 0.317 nan 4.420 nan 0.000 0.272 65 P C -0.045 177.295 177.300 0.066 0.000 1.230 65 P CA 0.103 63.253 63.100 0.083 0.000 0.788 65 P CB 1.004 32.735 31.700 0.053 0.000 0.949 66 G N -0.841 107.996 108.800 0.062 0.000 2.368 66 G HA2 0.509 4.469 3.960 -0.000 0.000 0.302 66 G HA3 0.509 4.469 3.960 -0.000 0.000 0.302 66 G C -2.141 172.785 174.900 0.044 0.000 1.329 66 G CA -0.037 45.090 45.100 0.046 0.000 0.935 66 G HN 0.604 nan 8.290 nan 0.000 0.590 67 A N -0.935 121.901 122.820 0.027 0.000 2.547 67 A HA 1.024 5.344 4.320 -0.000 0.000 0.297 67 A C -0.352 177.233 177.584 0.000 0.000 1.056 67 A CA 0.462 52.504 52.037 0.009 0.000 0.688 67 A CB 1.964 20.961 19.000 -0.004 0.000 1.282 67 A HN 2.128 nan 8.150 nan 0.000 0.400 68 T N -0.247 114.295 114.554 -0.019 0.000 2.739 68 T HA 0.788 5.138 4.350 -0.000 0.000 0.303 68 T C -0.963 173.703 174.700 -0.056 0.000 1.389 68 T CA 0.404 62.490 62.100 -0.024 0.000 1.001 68 T CB 1.704 70.558 68.868 -0.022 0.000 1.436 68 T HN 1.921 nan 8.240 nan 0.000 0.500 69 T N -0.260 114.274 114.554 -0.033 0.000 2.876 69 T HA 0.789 5.139 4.350 -0.000 0.000 0.289 69 T C -0.500 174.188 174.700 -0.020 0.000 1.014 69 T CA -0.433 61.646 62.100 -0.036 0.000 0.986 69 T CB 1.041 69.931 68.868 0.037 0.000 1.021 69 T HN 1.106 nan 8.240 nan 0.000 0.458 70 V N -0.769 119.126 119.914 -0.032 0.000 3.078 70 V HA 0.832 4.952 4.120 -0.000 0.000 0.311 70 V C -3.213 172.901 176.094 0.032 0.000 1.138 70 V CA -3.339 58.938 62.300 -0.039 0.000 1.007 70 V CB 1.584 33.302 31.823 -0.175 0.000 1.045 70 V HN 0.713 nan 8.190 nan 0.000 0.432 71 P HA 0.267 nan 4.420 nan 0.000 0.267 71 P C 0.596 177.983 177.300 0.145 0.000 1.209 71 P CA 0.648 63.805 63.100 0.094 0.000 0.763 71 P CB 1.118 32.869 31.700 0.084 0.000 0.816 72 A N 4.814 127.722 122.820 0.147 0.000 1.855 72 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 72 A C 2.214 179.920 177.584 0.204 0.000 1.191 72 A CA 1.627 53.771 52.037 0.177 0.000 0.613 72 A CB -0.897 18.175 19.000 0.121 0.000 0.829 72 A HN 0.419 nan 8.150 nan 0.000 0.442 73 R N 0.117 120.710 120.500 0.155 0.000 2.092 73 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 73 R C 2.015 178.426 176.300 0.185 0.000 1.119 73 R CA 1.976 58.177 56.100 0.169 0.000 0.970 73 R CB -0.319 30.049 30.300 0.115 0.000 0.864 73 R HN 0.527 nan 8.270 nan 0.000 0.440 74 K N -0.793 119.699 120.400 0.153 0.000 2.057 74 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 74 K C 1.872 178.567 176.600 0.157 0.000 1.049 74 K CA 1.454 57.814 56.287 0.122 0.000 0.931 74 K CB -0.318 32.246 32.500 0.107 0.000 0.714 74 K HN 0.126 nan 8.250 nan 0.000 0.440 75 F N 1.164 121.142 119.950 0.046 0.000 2.146 75 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 75 F C 1.944 177.782 175.800 0.064 0.000 1.096 75 F CA 0.787 58.806 58.000 0.032 0.000 1.275 75 F CB -0.562 38.482 39.000 0.073 0.000 1.008 75 F HN -0.061 nan 8.300 nan 0.000 0.480 76 F N 1.658 121.567 119.950 -0.069 0.000 2.069 76 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 76 F C 2.200 177.902 175.800 -0.163 0.000 1.113 76 F CA 2.299 60.191 58.000 -0.180 0.000 1.214 76 F CB -0.944 38.009 39.000 -0.078 0.000 0.978 76 F HN -0.062 nan 8.300 nan 0.000 0.474 77 D N 0.418 120.719 120.400 -0.165 0.000 2.178 77 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 77 D C 2.449 178.558 176.300 -0.318 0.000 0.980 77 D CA 1.552 55.385 54.000 -0.279 0.000 0.842 77 D CB -0.352 40.396 40.800 -0.087 0.000 0.948 77 D HN 0.385 nan 8.370 nan 0.000 0.472 78 I N 0.008 120.391 120.570 -0.312 0.000 2.286 78 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 78 I C 2.243 178.111 176.117 -0.414 0.000 1.104 78 I CA 0.546 61.568 61.300 -0.464 0.000 1.397 78 I CB -0.002 37.628 38.000 -0.617 0.000 1.072 78 I HN 0.070 nan 8.210 nan 0.000 0.417 79 C N 0.124 119.177 119.300 -0.411 0.000 2.466 79 C HA -0.105 4.355 4.460 -0.000 0.000 0.278 79 C C 2.906 177.696 174.990 -0.332 0.000 1.288 79 C CA 0.558 59.362 59.018 -0.356 0.000 1.722 79 C CB -1.069 26.413 27.740 -0.430 0.000 2.017 79 C HN 0.440 nan 8.230 nan 0.000 0.488 80 R N 0.873 121.076 120.500 -0.495 0.000 2.115 80 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 80 R C 2.144 178.271 176.300 -0.289 0.000 1.111 80 R CA 1.619 57.437 56.100 -0.470 0.000 0.976 80 R CB -0.502 29.323 30.300 -0.792 0.000 0.870 80 R HN 0.584 nan 8.270 nan 0.000 0.445 81 G N 0.664 109.307 108.800 -0.262 0.000 2.572 81 G HA2 0.005 3.965 3.960 -0.000 0.000 0.216 81 G HA3 0.005 3.965 3.960 -0.000 0.000 0.216 81 G C 0.683 175.523 174.900 -0.100 0.000 1.133 81 G CA -0.140 44.864 45.100 -0.160 0.000 0.791 81 G HN 0.111 nan 8.290 nan 0.000 0.538 82 L N 1.768 122.924 121.223 -0.110 0.000 2.436 82 L HA 0.268 4.608 4.340 -0.000 0.000 0.265 82 L C -1.499 175.343 176.870 -0.047 0.000 1.168 82 L CA -1.848 52.963 54.840 -0.048 0.000 0.815 82 L CB 1.204 43.236 42.059 -0.045 0.000 1.109 82 L HN 0.021 nan 8.230 nan 0.000 0.462 83 P HA 0.005 nan 4.420 nan 0.000 0.272 83 P C -0.793 176.489 177.300 -0.031 0.000 1.240 83 P CA -0.467 62.619 63.100 -0.023 0.000 0.791 83 P CB 0.531 32.225 31.700 -0.009 0.000 0.978 84 E N 0.114 120.296 120.200 -0.031 0.000 2.452 84 E HA 0.175 4.525 4.350 -0.000 0.000 0.261 84 E C 1.099 177.680 176.600 -0.032 0.000 0.987 84 E CA 0.905 57.285 56.400 -0.033 0.000 0.926 84 E CB -0.636 29.048 29.700 -0.028 0.000 0.934 84 E HN 0.781 nan 8.360 nan 0.000 0.452 85 G N 2.529 111.304 108.800 -0.042 0.000 2.162 85 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 85 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 85 G C 0.299 175.180 174.900 -0.030 0.000 0.976 85 G CA 0.093 45.167 45.100 -0.043 0.000 0.655 85 G HN 0.875 nan 8.290 nan 0.000 0.533 86 A N 0.095 122.901 122.820 -0.024 0.000 2.511 86 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 86 A C 0.575 178.159 177.584 -0.000 0.000 1.069 86 A CA 0.362 52.395 52.037 -0.006 0.000 0.763 86 A CB 0.308 19.307 19.000 -0.002 0.000 1.001 86 A HN 0.328 nan 8.150 nan 0.000 0.498 87 E N 1.826 122.036 120.200 0.017 0.000 2.200 87 E HA 0.344 4.694 4.350 -0.000 0.000 0.283 87 E C -0.692 175.941 176.600 0.055 0.000 1.015 87 E CA 0.032 56.454 56.400 0.035 0.000 0.819 87 E CB 1.218 30.940 29.700 0.036 0.000 1.081 87 E HN 0.527 nan 8.360 nan 0.000 0.397 88 I N 2.212 122.830 120.570 0.080 0.000 2.328 88 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 88 I C 0.076 176.246 176.117 0.087 0.000 1.012 88 I CA -0.702 60.657 61.300 0.098 0.000 1.195 88 I CB 1.334 39.407 38.000 0.121 0.000 1.350 88 I HN 0.337 nan 8.210 nan 0.000 0.464 89 A N 7.006 129.847 122.820 0.036 0.000 2.276 89 A HA 0.764 5.084 4.320 -0.000 0.000 0.316 89 A C -0.504 176.998 177.584 -0.136 0.000 1.229 89 A CA -0.430 51.583 52.037 -0.040 0.000 0.851 89 A CB 0.984 19.975 19.000 -0.014 0.000 1.165 89 A HN 0.471 nan 8.150 nan 0.000 0.513 90 V N 2.889 122.569 119.914 -0.391 0.000 2.680 90 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 90 V C -0.186 175.666 176.094 -0.403 0.000 1.052 90 V CA -0.462 61.547 62.300 -0.486 0.000 0.908 90 V CB 1.664 32.898 31.823 -0.981 0.000 1.001 90 V HN 1.038 nan 8.190 nan 0.000 0.431 91 Q N 3.351 123.012 119.800 -0.231 0.000 2.352 91 Q HA 0.509 4.849 4.340 -0.000 0.000 0.270 91 Q C -2.272 173.671 176.000 -0.094 0.000 1.006 91 Q CA -0.845 54.872 55.803 -0.142 0.000 0.880 91 Q CB 2.480 31.164 28.738 -0.090 0.000 1.392 91 Q HN 0.638 nan 8.270 nan 0.000 0.401 92 L N 2.746 123.931 121.223 -0.063 0.000 2.319 92 L HA 0.405 4.745 4.340 -0.000 0.000 0.280 92 L C -0.788 176.064 176.870 -0.029 0.000 1.099 92 L CA 0.729 55.543 54.840 -0.042 0.000 0.828 92 L CB 1.060 43.105 42.059 -0.023 0.000 1.150 92 L HN 0.800 nan 8.230 nan 0.000 0.442 93 E N 4.688 124.873 120.200 -0.026 0.000 2.518 93 E HA 0.476 4.826 4.350 -0.000 0.000 0.240 93 E C 0.482 177.075 176.600 -0.013 0.000 0.996 93 E CA 0.242 56.630 56.400 -0.019 0.000 0.768 93 E CB 0.367 30.055 29.700 -0.020 0.000 1.329 93 E HN 0.965 nan 8.360 nan 0.000 0.408 94 G N 4.482 113.276 108.800 -0.009 0.000 2.565 94 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.295 94 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.295 94 G C 0.598 175.495 174.900 -0.005 0.000 1.165 94 G CA 0.598 45.695 45.100 -0.005 0.000 0.977 94 G HN 0.654 nan 8.290 nan 0.000 0.546 95 E N 0.888 121.086 120.200 -0.003 0.000 2.501 95 E HA 0.379 4.729 4.350 -0.000 0.000 0.200 95 E C 1.059 177.656 176.600 -0.004 0.000 1.016 95 E CA -0.268 56.132 56.400 -0.001 0.000 0.921 95 E CB 0.472 30.174 29.700 0.004 0.000 1.034 95 E HN 0.420 nan 8.360 nan 0.000 0.468 96 R N 0.660 121.155 120.500 -0.008 0.000 2.596 96 R HA 0.494 4.834 4.340 -0.000 0.000 0.267 96 R C -0.527 175.757 176.300 -0.027 0.000 1.026 96 R CA -0.359 55.734 56.100 -0.011 0.000 1.087 96 R CB 1.434 31.732 30.300 -0.004 0.000 1.132 96 R HN 0.101 nan 8.270 nan 0.000 0.531 97 M N 2.882 122.459 119.600 -0.039 0.000 2.125 97 M HA 0.342 4.822 4.480 -0.000 0.000 0.321 97 M C -1.467 174.806 176.300 -0.044 0.000 0.983 97 M CA -1.051 54.206 55.300 -0.070 0.000 0.934 97 M CB 1.087 33.607 32.600 -0.134 0.000 1.542 97 M HN 0.254 nan 8.290 nan 0.000 0.424 98 L N 5.516 126.715 121.223 -0.041 0.000 2.292 98 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 98 L C -0.606 176.265 176.870 0.002 0.000 1.065 98 L CA -0.166 54.672 54.840 -0.003 0.000 0.806 98 L CB 1.511 43.560 42.059 -0.016 0.000 1.175 98 L HN 0.378 nan 8.230 nan 0.000 0.431 99 V N 4.791 124.770 119.914 0.108 0.000 2.448 99 V HA 0.630 4.750 4.120 -0.000 0.000 0.295 99 V C -0.041 176.186 176.094 0.221 0.000 1.025 99 V CA -0.823 61.580 62.300 0.172 0.000 0.859 99 V CB 1.756 33.755 31.823 0.295 0.000 0.988 99 V HN 0.651 nan 8.190 nan 0.000 0.431 100 R N 2.325 122.907 120.500 0.137 0.000 2.621 100 R HA 0.764 5.104 4.340 -0.000 0.000 0.284 100 R C -1.099 175.260 176.300 0.099 0.000 0.998 100 R CA -0.465 55.695 56.100 0.099 0.000 0.895 100 R CB 2.197 32.516 30.300 0.031 0.000 1.195 100 R HN 0.695 nan 8.270 nan 0.000 0.450 101 S N 1.312 117.073 115.700 0.102 0.000 2.605 101 S HA 0.522 4.992 4.470 -0.000 0.000 0.279 101 S C 0.212 174.848 174.600 0.061 0.000 1.166 101 S CA 0.396 58.645 58.200 0.083 0.000 0.975 101 S CB 1.141 64.403 63.200 0.104 0.000 1.111 101 S HN 0.983 nan 8.310 nan 0.000 0.465 102 G N 5.044 113.865 108.800 0.035 0.000 2.591 102 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.298 102 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.298 102 G C 0.147 175.051 174.900 0.007 0.000 1.195 102 G CA 0.370 45.482 45.100 0.020 0.000 0.989 102 G HN 0.764 nan 8.290 nan 0.000 0.551 103 R N 1.062 121.562 120.500 -0.001 0.000 2.694 103 R HA 0.384 4.724 4.340 -0.000 0.000 0.334 103 R C -0.175 176.095 176.300 -0.048 0.000 1.143 103 R CA 0.348 56.434 56.100 -0.024 0.000 1.073 103 R CB 0.300 30.586 30.300 -0.022 0.000 1.366 103 R HN 0.343 nan 8.270 nan 0.000 0.577 104 S N 0.861 116.541 115.700 -0.034 0.000 2.475 104 S HA 0.538 5.008 4.470 -0.000 0.000 0.298 104 S C -0.154 174.323 174.600 -0.205 0.000 1.119 104 S CA -0.649 57.486 58.200 -0.108 0.000 1.085 104 S CB 2.086 65.352 63.200 0.109 0.000 1.028 104 S HN 0.224 nan 8.310 nan 0.000 0.489 105 R N 1.427 121.588 120.500 -0.564 0.000 2.604 105 R HA 0.581 4.921 4.340 -0.000 0.000 0.281 105 R C -1.773 174.013 176.300 -0.856 0.000 1.020 105 R CA -0.497 55.341 56.100 -0.437 0.000 0.899 105 R CB 1.447 31.609 30.300 -0.231 0.000 1.205 105 R HN 0.507 nan 8.270 nan 0.000 0.450 106 F N -0.205 119.755 119.950 0.016 0.000 2.588 106 F HA 0.489 5.016 4.527 -0.000 0.000 0.314 106 F C 0.170 175.977 175.800 0.011 0.000 1.069 106 F CA -0.924 57.090 58.000 0.023 0.000 0.931 106 F CB 2.518 41.548 39.000 0.049 0.000 1.260 106 F HN 0.260 nan 8.300 nan 0.000 0.465 107 S N 2.898 118.691 115.700 0.154 0.000 2.707 107 S HA 0.723 5.193 4.470 -0.000 0.000 0.312 107 S C -1.162 173.491 174.600 0.087 0.000 1.116 107 S CA -0.449 57.802 58.200 0.085 0.000 1.078 107 S CB 0.202 63.423 63.200 0.034 0.000 0.997 107 S HN 0.571 nan 8.310 nan 0.000 0.477 108 L N 3.906 125.166 121.223 0.062 0.000 2.334 108 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 108 L C 0.811 177.691 176.870 0.017 0.000 1.036 108 L CA -0.772 54.094 54.840 0.043 0.000 0.807 108 L CB 1.882 43.949 42.059 0.013 0.000 1.231 108 L HN 0.735 nan 8.230 nan 0.000 0.438 109 S N 0.394 116.108 115.700 0.024 0.000 2.593 109 S HA 0.467 4.937 4.470 -0.000 0.000 0.269 109 S C -0.012 174.592 174.600 0.007 0.000 1.334 109 S CA -0.526 57.685 58.200 0.017 0.000 1.015 109 S CB 1.157 64.372 63.200 0.026 0.000 0.912 109 S HN 0.732 nan 8.310 nan 0.000 0.541 110 T N -0.702 113.856 114.554 0.007 0.000 2.901 110 T HA 0.714 5.064 4.350 -0.000 0.000 0.293 110 T C -1.023 173.690 174.700 0.023 0.000 1.084 110 T CA -0.999 61.105 62.100 0.006 0.000 1.008 110 T CB 0.964 69.827 68.868 -0.007 0.000 1.170 110 T HN 0.409 nan 8.240 nan 0.000 0.509 111 L N 1.394 122.639 121.223 0.036 0.000 2.354 111 L HA 0.654 4.993 4.340 -0.000 0.000 0.269 111 L C -2.567 174.336 176.870 0.055 0.000 1.005 111 L CA -2.639 52.231 54.840 0.050 0.000 0.819 111 L CB 1.455 43.557 42.059 0.072 0.000 1.311 111 L HN 0.549 nan 8.230 nan 0.000 0.423 112 P HA 0.097 nan 4.420 nan 0.000 0.267 112 P C 0.271 177.616 177.300 0.076 0.000 1.205 112 P CA 0.001 63.130 63.100 0.050 0.000 0.765 112 P CB 0.645 32.370 31.700 0.042 0.000 0.828 113 A N 4.790 127.644 122.820 0.056 0.000 1.958 113 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 113 A C 2.076 179.725 177.584 0.108 0.000 1.178 113 A CA 2.237 54.314 52.037 0.066 0.000 0.642 113 A CB -1.529 17.482 19.000 0.019 0.000 0.816 113 A HN 0.550 nan 8.150 nan 0.000 0.453 114 A N -0.890 121.976 122.820 0.077 0.000 2.172 114 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 114 A C 1.361 178.995 177.584 0.083 0.000 1.154 114 A CA 1.572 53.652 52.037 0.072 0.000 0.701 114 A CB -0.295 18.733 19.000 0.047 0.000 0.789 114 A HN 0.437 nan 8.150 nan 0.000 0.465 115 D N -1.906 118.554 120.400 0.100 0.000 2.349 115 D HA 0.152 4.792 4.640 -0.000 0.000 0.214 115 D C -0.243 176.117 176.300 0.100 0.000 1.063 115 D CA -0.112 53.936 54.000 0.080 0.000 0.847 115 D CB -0.047 40.790 40.800 0.063 0.000 0.933 115 D HN 0.394 nan 8.370 nan 0.000 0.513 116 F N 2.479 122.437 119.950 0.014 0.000 2.467 116 F HA 0.256 4.783 4.527 -0.000 0.000 0.362 116 F C -1.893 173.916 175.800 0.015 0.000 1.090 116 F CA -2.295 55.714 58.000 0.016 0.000 1.202 116 F CB 0.700 39.711 39.000 0.018 0.000 1.113 116 F HN -0.248 nan 8.300 nan 0.000 0.541 117 P HA -0.003 nan 4.420 nan 0.000 0.263 117 P C -1.089 176.165 177.300 -0.077 0.000 1.195 117 P CA 0.147 63.092 63.100 -0.258 0.000 0.762 117 P CB 0.352 31.833 31.700 -0.365 0.000 0.799 118 N N 3.493 122.203 118.700 0.017 0.000 2.444 118 N HA 0.208 4.947 4.740 -0.000 0.000 0.262 118 N C -0.887 174.650 175.510 0.044 0.000 0.974 118 N CA -0.535 52.558 53.050 0.072 0.000 0.933 118 N CB 0.304 38.837 38.487 0.078 0.000 1.137 118 N HN 0.149 nan 8.380 nan 0.000 0.498 119 L N 2.947 124.205 121.223 0.059 0.000 2.453 119 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 119 L C 0.561 177.484 176.870 0.088 0.000 1.182 119 L CA 0.274 55.150 54.840 0.061 0.000 0.858 119 L CB 0.247 42.351 42.059 0.075 0.000 1.120 119 L HN 0.459 nan 8.230 nan 0.000 0.474 120 D N 2.531 122.984 120.400 0.089 0.000 2.423 120 D HA -0.003 4.637 4.640 -0.000 0.000 0.238 120 D C -0.327 176.076 176.300 0.172 0.000 1.142 120 D CA -0.057 54.004 54.000 0.102 0.000 0.884 120 D CB 0.533 41.387 40.800 0.089 0.000 1.199 120 D HN 0.416 nan 8.370 nan 0.000 0.438 121 D N 1.335 121.796 120.400 0.101 0.000 2.357 121 D HA 0.249 4.889 4.640 -0.000 0.000 0.242 121 D C 0.325 176.708 176.300 0.138 0.000 1.153 121 D CA 0.073 54.095 54.000 0.036 0.000 0.918 121 D CB 0.691 41.463 40.800 -0.047 0.000 1.181 121 D HN 0.371 nan 8.370 nan 0.000 0.435 122 W N -0.828 120.457 121.300 -0.026 0.000 3.025 122 W HA 0.341 5.001 4.660 0.000 0.000 0.343 122 W C -1.116 175.385 176.519 -0.030 0.000 1.246 122 W CA -0.804 56.525 57.345 -0.026 0.000 1.178 122 W CB 0.484 29.927 29.460 -0.030 0.000 1.463 122 W HN 0.060 nan 8.180 nan 0.000 0.578 123 Q N 1.524 121.457 119.800 0.222 0.000 2.266 123 Q HA 0.353 4.693 4.340 -0.000 0.000 0.261 123 Q C -0.255 175.877 176.000 0.221 0.000 0.985 123 Q CA -0.666 55.165 55.803 0.046 0.000 0.873 123 Q CB 2.530 31.294 28.738 0.044 0.000 1.306 123 Q HN 0.407 nan 8.270 nan 0.000 0.447 124 S N 1.247 116.957 115.700 0.016 0.000 2.523 124 S HA 0.130 4.600 4.470 -0.000 0.000 0.275 124 S C 0.396 175.036 174.600 0.067 0.000 1.281 124 S CA -0.228 58.036 58.200 0.108 0.000 1.050 124 S CB 0.414 63.584 63.200 -0.050 0.000 0.937 124 S HN 0.424 nan 8.310 nan 0.000 0.492 125 E N 2.981 123.221 120.200 0.067 0.000 2.465 125 E HA 0.237 4.587 4.350 -0.000 0.000 0.209 125 E C -0.421 176.147 176.600 -0.053 0.000 0.951 125 E CA 0.332 56.724 56.400 -0.012 0.000 0.997 125 E CB 0.969 30.642 29.700 -0.044 0.000 1.025 125 E HN 0.461 nan 8.360 nan 0.000 0.500 126 V N 1.492 121.387 119.914 -0.032 0.000 2.808 126 V HA 0.375 4.495 4.120 -0.000 0.000 0.308 126 V C -0.730 175.376 176.094 0.019 0.000 1.099 126 V CA -0.740 61.562 62.300 0.003 0.000 0.920 126 V CB 2.599 34.421 31.823 -0.002 0.000 1.014 126 V HN -0.043 nan 8.190 nan 0.000 0.425 127 E N 3.696 123.928 120.200 0.053 0.000 2.356 127 E HA 0.801 5.151 4.350 -0.000 0.000 0.275 127 E C -1.702 174.945 176.600 0.079 0.000 0.904 127 E CA -0.607 55.749 56.400 -0.073 0.000 0.757 127 E CB 3.119 32.777 29.700 -0.070 0.000 1.232 127 E HN 0.587 nan 8.360 nan 0.000 0.442 128 F N -1.771 118.194 119.950 0.024 0.000 2.773 128 F HA 0.645 5.172 4.527 -0.000 0.000 0.314 128 F C -0.685 175.133 175.800 0.029 0.000 1.160 128 F CA -1.055 56.960 58.000 0.025 0.000 0.920 128 F CB 1.056 40.076 39.000 0.033 0.000 1.323 128 F HN 0.319 nan 8.300 nan 0.000 0.457 129 T N 0.380 115.086 114.554 0.253 0.000 2.942 129 T HA 0.909 5.259 4.350 -0.000 0.000 0.289 129 T C -0.882 173.973 174.700 0.258 0.000 1.044 129 T CA -0.673 61.533 62.100 0.176 0.000 1.023 129 T CB 2.024 70.946 68.868 0.090 0.000 1.123 129 T HN 1.430 nan 8.240 nan 0.000 0.512 130 L N -2.506 118.837 121.223 0.200 0.000 2.720 130 L HA 0.816 5.156 4.340 -0.000 0.000 0.261 130 L C -3.332 173.606 176.870 0.113 0.000 1.046 130 L CA -2.890 52.045 54.840 0.158 0.000 0.886 130 L CB 1.210 43.380 42.059 0.186 0.000 1.493 130 L HN 0.338 nan 8.230 nan 0.000 0.407 131 P HA 0.168 nan 4.420 nan 0.000 0.268 131 P C -0.070 177.277 177.300 0.078 0.000 1.205 131 P CA -0.078 63.064 63.100 0.071 0.000 0.771 131 P CB 0.780 32.512 31.700 0.054 0.000 0.858 132 Q N 2.283 122.126 119.800 0.072 0.000 2.152 132 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 132 Q C 1.979 178.018 176.000 0.065 0.000 0.985 132 Q CA 2.111 57.957 55.803 0.072 0.000 0.863 132 Q CB -0.511 28.266 28.738 0.064 0.000 0.904 132 Q HN 0.586 nan 8.270 nan 0.000 0.422 133 A N 0.352 123.205 122.820 0.054 0.000 1.940 133 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 133 A C 2.223 179.836 177.584 0.048 0.000 1.176 133 A CA 1.948 54.012 52.037 0.046 0.000 0.631 133 A CB -0.805 18.217 19.000 0.037 0.000 0.814 133 A HN 0.336 nan 8.150 nan 0.000 0.446 134 T N -0.634 113.952 114.554 0.054 0.000 2.777 134 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 134 T C 1.922 176.663 174.700 0.069 0.000 1.040 134 T CA 1.874 64.006 62.100 0.053 0.000 1.141 134 T CB -0.248 68.653 68.868 0.056 0.000 0.868 134 T HN 0.440 nan 8.240 nan 0.000 0.444 135 M N 1.433 121.092 119.600 0.098 0.000 2.175 135 M HA 0.052 4.532 4.480 -0.000 0.000 0.264 135 M C 2.038 178.398 176.300 0.100 0.000 1.063 135 M CA 1.582 56.961 55.300 0.131 0.000 1.119 135 M CB -0.315 32.377 32.600 0.153 0.000 1.377 135 M HN 0.067 nan 8.290 nan 0.000 0.415 136 K N -0.490 119.955 120.400 0.074 0.000 2.032 136 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 136 K C 2.198 178.828 176.600 0.050 0.000 1.048 136 K CA 1.952 58.273 56.287 0.057 0.000 0.927 136 K CB -0.271 32.256 32.500 0.045 0.000 0.712 136 K HN 0.274 nan 8.250 nan 0.000 0.441 137 R N 0.320 120.846 120.500 0.043 0.000 2.091 137 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 137 R C 2.063 178.376 176.300 0.021 0.000 1.136 137 R CA 1.263 57.383 56.100 0.034 0.000 0.959 137 R CB -0.572 29.743 30.300 0.026 0.000 0.856 137 R HN 0.215 nan 8.270 nan 0.000 0.437 138 L N 0.491 121.721 121.223 0.011 0.000 2.017 138 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 138 L C 2.236 179.070 176.870 -0.060 0.000 1.073 138 L CA 1.719 56.534 54.840 -0.041 0.000 0.745 138 L CB -0.765 41.278 42.059 -0.027 0.000 0.894 138 L HN 0.309 nan 8.230 nan 0.000 0.432 139 I N -1.108 119.461 120.570 -0.001 0.000 2.286 139 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 139 I C 2.256 178.393 176.117 0.033 0.000 1.104 139 I CA 0.816 62.120 61.300 0.007 0.000 1.397 139 I CB -0.240 37.806 38.000 0.077 0.000 1.072 139 I HN 0.311 nan 8.210 nan 0.000 0.417 140 E N 1.152 121.386 120.200 0.057 0.000 2.150 140 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 140 E C 2.322 179.012 176.600 0.149 0.000 0.985 140 E CA 1.077 57.531 56.400 0.091 0.000 0.814 140 E CB -0.109 29.633 29.700 0.071 0.000 0.752 140 E HN 0.479 nan 8.360 nan 0.000 0.466 141 A N 1.160 124.055 122.820 0.126 0.000 1.972 141 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 141 A C 2.307 180.070 177.584 0.299 0.000 1.169 141 A CA 2.108 54.276 52.037 0.217 0.000 0.635 141 A CB -0.447 18.613 19.000 0.102 0.000 0.810 141 A HN 0.379 nan 8.150 nan 0.000 0.446 142 T N -4.450 110.158 114.554 0.091 0.000 2.954 142 T HA 0.100 4.450 4.350 -0.000 0.000 0.252 142 T C 1.729 176.302 174.700 -0.212 0.000 0.983 142 T CA 0.653 62.693 62.100 -0.099 0.000 0.941 142 T CB -0.166 68.583 68.868 -0.197 0.000 1.141 142 T HN 0.442 nan 8.240 nan 0.000 0.500 143 Q N 1.224 121.000 119.800 -0.039 0.000 2.135 143 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 143 Q C 2.018 177.984 176.000 -0.057 0.000 0.981 143 Q CA 2.025 57.807 55.803 -0.035 0.000 0.856 143 Q CB -0.614 28.153 28.738 0.047 0.000 0.902 143 Q HN 0.765 nan 8.270 nan 0.000 0.425 144 F N -0.313 119.643 119.950 0.010 0.000 2.287 144 F HA -0.057 4.470 4.527 -0.000 0.000 0.301 144 F C 1.583 177.374 175.800 -0.015 0.000 1.069 144 F CA 1.211 59.218 58.000 0.012 0.000 1.372 144 F CB -0.464 38.547 39.000 0.019 0.000 1.056 144 F HN -0.085 nan 8.300 nan 0.000 0.523 145 S N 0.582 115.773 115.700 -0.849 0.000 2.575 145 S HA 0.238 4.708 4.470 -0.000 0.000 0.215 145 S C 0.755 175.166 174.600 -0.315 0.000 0.966 145 S CA -0.254 57.584 58.200 -0.603 0.000 0.911 145 S CB -0.391 62.396 63.200 -0.688 0.000 0.780 145 S HN 0.258 nan 8.310 nan 0.000 0.514 146 M N 1.890 121.333 119.600 -0.262 0.000 2.243 146 M HA 0.290 4.770 4.480 -0.000 0.000 0.341 146 M C 0.603 176.733 176.300 -0.283 0.000 1.130 146 M CA -0.310 54.878 55.300 -0.186 0.000 1.162 146 M CB 0.304 32.830 32.600 -0.124 0.000 1.497 146 M HN 0.162 nan 8.290 nan 0.000 0.456 147 A N 2.135 124.835 122.820 -0.201 0.000 2.386 147 A HA 0.134 4.454 4.320 -0.000 0.000 0.246 147 A C 0.641 178.080 177.584 -0.242 0.000 1.089 147 A CA -0.193 51.727 52.037 -0.197 0.000 0.790 147 A CB 0.124 19.063 19.000 -0.102 0.000 1.042 147 A HN 0.983 nan 8.150 nan 0.000 0.497 148 H N -0.158 118.930 119.070 0.030 0.000 2.406 148 H HA 0.131 4.687 4.556 -0.000 0.000 0.304 148 H C 0.021 175.366 175.328 0.028 0.000 1.042 148 H CA 1.039 57.107 56.048 0.033 0.000 1.360 148 H CB 0.471 30.257 29.762 0.039 0.000 1.448 148 H HN 0.746 nan 8.280 nan 0.000 0.553 149 Q N 1.278 121.170 119.800 0.152 0.000 3.112 149 Q HA 0.104 4.444 4.340 -0.000 0.000 0.300 149 Q C -1.103 174.931 176.000 0.056 0.000 0.760 149 Q CA -0.200 55.655 55.803 0.087 0.000 0.979 149 Q CB 1.792 30.579 28.738 0.080 0.000 1.512 149 Q HN 0.226 nan 8.270 nan 0.000 0.378 150 D N 0.888 121.302 120.400 0.023 0.000 2.372 150 D HA 0.022 4.662 4.640 -0.000 0.000 0.243 150 D C 1.430 177.718 176.300 -0.019 0.000 1.121 150 D CA 0.073 54.063 54.000 -0.017 0.000 0.898 150 D CB 1.956 42.700 40.800 -0.094 0.000 1.202 150 D HN 0.250 nan 8.370 nan 0.000 0.428 151 V N 2.025 121.932 119.914 -0.011 0.000 3.141 151 V HA -0.000 4.120 4.120 -0.000 0.000 0.265 151 V C 0.917 177.016 176.094 0.008 0.000 1.126 151 V CA 0.735 63.048 62.300 0.021 0.000 1.141 151 V CB -0.516 31.324 31.823 0.029 0.000 0.743 151 V HN 0.305 nan 8.190 nan 0.000 0.492 152 R N 1.257 121.665 120.500 -0.153 0.000 2.608 152 R HA 0.312 4.652 4.340 -0.000 0.000 0.277 152 R C 0.985 176.900 176.300 -0.642 0.000 1.341 152 R CA -0.066 55.761 56.100 -0.455 0.000 1.199 152 R CB -0.314 29.578 30.300 -0.681 0.000 1.156 152 R HN 0.730 nan 8.270 nan 0.000 0.558 153 Y N 0.457 120.603 120.300 -0.257 0.000 2.333 153 Y HA -0.280 4.270 4.550 -0.000 0.000 0.290 153 Y C 1.343 177.190 175.900 -0.087 0.000 1.144 153 Y CA 0.637 58.670 58.100 -0.112 0.000 1.228 153 Y CB -0.776 37.688 38.460 0.007 0.000 0.985 153 Y HN 0.563 nan 8.280 nan 0.000 0.542 154 Y N -0.732 119.269 120.300 -0.499 0.000 2.571 154 Y HA 0.154 4.704 4.550 -0.000 0.000 0.294 154 Y C 1.625 177.537 175.900 0.020 0.000 1.141 154 Y CA 0.081 58.061 58.100 -0.199 0.000 1.308 154 Y CB -0.985 37.291 38.460 -0.307 0.000 1.002 154 Y HN 0.165 nan 8.280 nan 0.000 0.551 155 L N 0.581 121.552 121.223 -0.420 0.000 2.313 155 L HA -0.062 4.278 4.340 -0.000 0.000 0.214 155 L C 1.266 178.112 176.870 -0.041 0.000 1.119 155 L CA 0.548 55.256 54.840 -0.220 0.000 0.809 155 L CB -0.382 41.430 42.059 -0.412 0.000 0.933 155 L HN 0.282 nan 8.230 nan 0.000 0.449 156 N N 0.397 119.076 118.700 -0.035 0.000 2.521 156 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 156 N C 0.792 176.335 175.510 0.055 0.000 1.146 156 N CA 0.584 53.639 53.050 0.007 0.000 0.893 156 N CB 0.283 38.790 38.487 0.034 0.000 0.975 156 N HN 0.309 nan 8.380 nan 0.000 0.451 157 G N -0.425 108.441 108.800 0.110 0.000 3.119 157 G HA2 0.663 4.623 3.960 -0.000 0.000 0.206 157 G HA3 0.663 4.623 3.960 -0.000 0.000 0.206 157 G C -1.008 173.947 174.900 0.092 0.000 1.313 157 G CA -0.469 44.699 45.100 0.112 0.000 1.010 157 G HN 0.099 nan 8.290 nan 0.000 0.578 158 M N 0.402 120.025 119.600 0.039 0.000 2.326 158 M HA 0.546 5.026 4.480 -0.000 0.000 0.292 158 M C -1.766 174.395 176.300 -0.232 0.000 1.081 158 M CA -0.807 54.425 55.300 -0.112 0.000 0.919 158 M CB 2.118 34.681 32.600 -0.061 0.000 1.634 158 M HN 0.408 nan 8.290 nan 0.000 0.451 159 L N 4.868 125.704 121.223 -0.646 0.000 2.360 159 L HA 0.448 4.788 4.340 -0.000 0.000 0.276 159 L C -1.731 174.897 176.870 -0.404 0.000 1.121 159 L CA 0.622 55.084 54.840 -0.630 0.000 0.845 159 L CB 0.334 41.774 42.059 -1.031 0.000 1.143 159 L HN 0.586 nan 8.230 nan 0.000 0.452 160 F N 4.145 123.975 119.950 -0.200 0.000 2.426 160 F HA 0.454 4.981 4.527 -0.000 0.000 0.348 160 F C 0.170 175.923 175.800 -0.078 0.000 1.124 160 F CA -0.467 57.475 58.000 -0.096 0.000 1.008 160 F CB 1.336 40.336 39.000 -0.000 0.000 1.139 160 F HN 0.463 nan 8.300 nan 0.000 0.452 161 E N 2.183 122.398 120.200 0.026 0.000 2.246 161 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 161 E C -1.111 175.486 176.600 -0.005 0.000 0.880 161 E CA -0.750 55.653 56.400 0.005 0.000 0.762 161 E CB 1.451 31.128 29.700 -0.038 0.000 1.180 161 E HN 0.596 nan 8.360 nan 0.000 0.416 162 T N 1.533 116.102 114.554 0.025 0.000 2.806 162 T HA 0.445 4.795 4.350 -0.000 0.000 0.290 162 T C -0.109 174.589 174.700 -0.003 0.000 0.966 162 T CA -0.693 61.385 62.100 -0.036 0.000 1.060 162 T CB 1.311 70.157 68.868 -0.037 0.000 0.927 162 T HN 0.483 nan 8.240 nan 0.000 0.485 163 E N 1.787 121.970 120.200 -0.029 0.000 2.274 163 E HA 0.483 4.833 4.350 -0.000 0.000 0.269 163 E C 0.737 177.325 176.600 -0.020 0.000 0.891 163 E CA -0.150 56.246 56.400 -0.006 0.000 0.784 163 E CB 1.189 30.896 29.700 0.011 0.000 1.225 163 E HN 1.104 nan 8.360 nan 0.000 0.412 164 G N 4.114 112.908 108.800 -0.010 0.000 2.574 164 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.301 164 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.301 164 G C 0.473 175.356 174.900 -0.028 0.000 1.166 164 G CA 0.583 45.675 45.100 -0.013 0.000 0.971 164 G HN 0.625 nan 8.290 nan 0.000 0.542 165 E N 1.749 121.928 120.200 -0.034 0.000 2.558 165 E HA 0.243 4.593 4.350 -0.000 0.000 0.205 165 E C 0.040 176.596 176.600 -0.072 0.000 1.006 165 E CA -0.016 56.357 56.400 -0.046 0.000 0.961 165 E CB 0.544 30.229 29.700 -0.026 0.000 1.044 165 E HN 0.565 nan 8.360 nan 0.000 0.465 166 E N 1.080 121.229 120.200 -0.085 0.000 2.227 166 E HA 0.389 4.739 4.350 -0.000 0.000 0.268 166 E C -0.923 175.585 176.600 -0.153 0.000 0.907 166 E CA -0.639 55.701 56.400 -0.101 0.000 0.786 166 E CB 2.600 32.257 29.700 -0.072 0.000 1.191 166 E HN 0.017 nan 8.360 nan 0.000 0.411 167 L N 2.597 123.719 121.223 -0.168 0.000 2.309 167 L HA 0.521 4.861 4.340 -0.000 0.000 0.282 167 L C -0.541 176.249 176.870 -0.132 0.000 1.036 167 L CA -0.542 54.193 54.840 -0.175 0.000 0.806 167 L CB 1.273 43.227 42.059 -0.175 0.000 1.220 167 L HN 0.479 nan 8.230 nan 0.000 0.429 168 R N 1.932 122.347 120.500 -0.143 0.000 2.628 168 R HA 0.531 4.871 4.340 -0.000 0.000 0.288 168 R C -1.028 175.090 176.300 -0.303 0.000 0.980 168 R CA -0.427 55.544 56.100 -0.215 0.000 0.891 168 R CB 1.958 32.124 30.300 -0.223 0.000 1.188 168 R HN 0.710 nan 8.270 nan 0.000 0.450 169 T N 0.152 114.469 114.554 -0.395 0.000 2.925 169 T HA 0.597 4.947 4.350 -0.000 0.000 0.285 169 T C -0.506 173.931 174.700 -0.438 0.000 1.021 169 T CA -0.764 61.007 62.100 -0.548 0.000 1.042 169 T CB 1.804 70.284 68.868 -0.647 0.000 1.037 169 T HN 0.418 nan 8.240 nan 0.000 0.481 170 V N -0.282 119.380 119.914 -0.420 0.000 2.733 170 V HA 0.876 4.996 4.120 -0.000 0.000 0.306 170 V C -1.202 174.793 176.094 -0.165 0.000 1.084 170 V CA -0.700 61.440 62.300 -0.268 0.000 0.905 170 V CB 1.194 32.933 31.823 -0.141 0.000 1.010 170 V HN 1.532 nan 8.190 nan 0.000 0.424 171 A N 3.964 126.732 122.820 -0.087 0.000 2.393 171 A HA 0.956 5.276 4.320 -0.000 0.000 0.306 171 A C -0.356 177.216 177.584 -0.020 0.000 1.050 171 A CA -0.185 51.850 52.037 -0.004 0.000 0.724 171 A CB 2.144 21.051 19.000 -0.154 0.000 1.248 171 A HN 1.570 nan 8.150 nan 0.000 0.424 172 T N 0.041 114.607 114.554 0.019 0.000 2.885 172 T HA 0.488 4.838 4.350 -0.000 0.000 0.322 172 T C -1.391 173.217 174.700 -0.153 0.000 1.387 172 T CA 0.100 62.135 62.100 -0.108 0.000 1.041 172 T CB 1.462 70.256 68.868 -0.123 0.000 1.287 172 T HN 0.785 nan 8.240 nan 0.000 0.491 173 D N 0.880 121.179 120.400 -0.169 0.000 2.501 173 D HA 0.328 4.968 4.640 -0.000 0.000 0.224 173 D C 1.425 177.598 176.300 -0.211 0.000 1.202 173 D CA 0.598 54.511 54.000 -0.145 0.000 0.829 173 D CB -0.097 40.675 40.800 -0.046 0.000 1.023 173 D HN 1.128 nan 8.370 nan 0.000 0.499 174 G N 0.561 109.201 108.800 -0.267 0.000 2.253 174 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.251 174 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.251 174 G C 1.022 175.654 174.900 -0.446 0.000 0.998 174 G CA 0.525 45.408 45.100 -0.362 0.000 0.621 174 G HN 0.493 nan 8.290 nan 0.000 0.524 175 H N 0.211 119.218 119.070 -0.106 0.000 2.545 175 H HA 0.242 4.798 4.556 -0.000 0.000 0.283 175 H C 1.573 176.778 175.328 -0.205 0.000 0.997 175 H CA 1.507 57.498 56.048 -0.096 0.000 1.269 175 H CB 0.665 30.411 29.762 -0.027 0.000 1.451 175 H HN 0.725 nan 8.280 nan 0.000 0.508 176 R N 0.130 120.499 120.500 -0.218 0.000 2.774 176 R HA 0.638 4.978 4.340 -0.000 0.000 0.272 176 R C -1.643 174.558 176.300 -0.165 0.000 1.000 176 R CA -0.819 55.148 56.100 -0.221 0.000 0.906 176 R CB 1.866 31.916 30.300 -0.418 0.000 1.227 176 R HN 0.047 nan 8.270 nan 0.000 0.468 177 L N 0.055 121.222 121.223 -0.093 0.000 2.434 177 L HA 0.953 5.293 4.340 -0.000 0.000 0.260 177 L C -1.445 175.382 176.870 -0.073 0.000 0.983 177 L CA -0.744 54.043 54.840 -0.089 0.000 0.820 177 L CB 2.436 44.470 42.059 -0.043 0.000 1.361 177 L HN 1.026 nan 8.230 nan 0.000 0.410 178 A N 3.251 125.976 122.820 -0.159 0.000 2.386 178 A HA 0.827 5.147 4.320 -0.000 0.000 0.311 178 A C -1.704 175.697 177.584 -0.305 0.000 1.068 178 A CA -0.521 51.367 52.037 -0.248 0.000 0.743 178 A CB 2.044 20.909 19.000 -0.225 0.000 1.258 178 A HN 0.838 nan 8.150 nan 0.000 0.429 179 V N 1.418 121.075 119.914 -0.430 0.000 2.851 179 V HA 0.682 4.802 4.120 -0.000 0.000 0.307 179 V C -1.383 174.454 176.094 -0.427 0.000 1.129 179 V CA -0.339 61.700 62.300 -0.436 0.000 0.932 179 V CB 1.402 32.895 31.823 -0.549 0.000 1.024 179 V HN 1.673 nan 8.190 nan 0.000 0.426 180 C N 5.391 124.474 119.300 -0.363 0.000 2.608 180 C HA 0.892 5.352 4.460 -0.000 0.000 0.325 180 C C -0.271 174.577 174.990 -0.238 0.000 1.147 180 C CA 0.003 58.863 59.018 -0.264 0.000 1.359 180 C CB 1.065 28.693 27.740 -0.187 0.000 1.912 180 C HN 1.041 nan 8.230 nan 0.000 0.466 181 S N 6.449 122.038 115.700 -0.185 0.000 2.526 181 S HA 0.865 5.335 4.470 -0.000 0.000 0.293 181 S C -0.862 173.679 174.600 -0.098 0.000 1.092 181 S CA -0.651 57.459 58.200 -0.151 0.000 0.980 181 S CB 1.604 64.719 63.200 -0.141 0.000 1.048 181 S HN 0.785 nan 8.310 nan 0.000 0.483 182 M N 3.093 122.644 119.600 -0.082 0.000 2.501 182 M HA 0.476 4.956 4.480 -0.000 0.000 0.293 182 M C -2.995 173.274 176.300 -0.053 0.000 1.192 182 M CA -2.401 52.867 55.300 -0.054 0.000 0.886 182 M CB 1.823 34.402 32.600 -0.035 0.000 1.710 182 M HN 0.276 nan 8.290 nan 0.000 0.457 183 P HA 0.349 nan 4.420 nan 0.000 0.280 183 P C 0.080 177.363 177.300 -0.027 0.000 1.244 183 P CA -0.153 62.927 63.100 -0.034 0.000 0.784 183 P CB 0.507 32.195 31.700 -0.021 0.000 0.913 184 I N -1.631 118.916 120.570 -0.037 0.000 4.225 184 I HA 0.443 4.613 4.170 -0.000 0.000 0.327 184 I C 0.943 177.061 176.117 0.002 0.000 1.422 184 I CA -0.234 61.057 61.300 -0.015 0.000 1.150 184 I CB -0.009 37.971 38.000 -0.033 0.000 1.192 184 I HN 0.512 nan 8.210 nan 0.000 0.440 185 G N 1.629 110.425 108.800 -0.006 0.000 2.143 185 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 185 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 185 G C -0.172 174.736 174.900 0.013 0.000 0.991 185 G CA 0.352 45.455 45.100 0.006 0.000 0.689 185 G HN 0.618 nan 8.290 nan 0.000 0.522 186 Q N -0.187 119.619 119.800 0.009 0.000 2.394 186 Q HA 0.640 4.980 4.340 -0.000 0.000 0.273 186 Q C -0.346 175.657 176.000 0.005 0.000 1.089 186 Q CA -0.593 55.222 55.803 0.020 0.000 0.812 186 Q CB 1.925 30.694 28.738 0.051 0.000 1.353 186 Q HN 0.154 nan 8.270 nan 0.000 0.438 187 S N 2.228 117.934 115.700 0.011 0.000 2.430 187 S HA 0.269 4.739 4.470 -0.000 0.000 0.282 187 S C -0.647 173.962 174.600 0.016 0.000 1.186 187 S CA -0.351 57.854 58.200 0.008 0.000 1.060 187 S CB 0.030 63.236 63.200 0.010 0.000 0.966 187 S HN 0.246 nan 8.310 nan 0.000 0.501 188 L N 5.334 126.559 121.223 0.004 0.000 2.334 188 L HA 0.654 4.994 4.340 -0.000 0.000 0.270 188 L C -1.888 174.997 176.870 0.025 0.000 1.018 188 L CA -2.402 52.447 54.840 0.015 0.000 0.811 188 L CB 0.227 42.263 42.059 -0.039 0.000 1.271 188 L HN 0.338 nan 8.230 nan 0.000 0.443 189 P HA 0.227 nan 4.420 nan 0.000 0.277 189 P C -0.908 176.438 177.300 0.077 0.000 1.240 189 P CA -0.475 62.656 63.100 0.052 0.000 0.798 189 P CB 0.790 32.517 31.700 0.045 0.000 0.979 190 S N 1.209 116.957 115.700 0.080 0.000 2.422 190 S HA 0.308 4.778 4.470 -0.000 0.000 0.283 190 S C -0.229 174.468 174.600 0.162 0.000 1.163 190 S CA 0.187 58.439 58.200 0.087 0.000 1.054 190 S CB -0.679 62.554 63.200 0.056 0.000 0.967 190 S HN 0.584 nan 8.310 nan 0.000 0.499 191 H N 0.870 119.958 119.070 0.031 0.000 3.046 191 H HA 0.556 5.112 4.556 0.000 0.000 0.363 191 H C -1.270 174.083 175.328 0.042 0.000 1.203 191 H CA -0.312 55.762 56.048 0.042 0.000 1.169 191 H CB 1.436 31.237 29.762 0.065 0.000 1.851 191 H HN 0.505 nan 8.280 nan 0.000 0.546 192 S N 2.206 117.669 115.700 -0.394 0.000 2.538 192 S HA 0.627 5.097 4.470 -0.000 0.000 0.288 192 S C -1.107 173.309 174.600 -0.306 0.000 1.108 192 S CA -0.416 57.648 58.200 -0.226 0.000 0.971 192 S CB 1.391 64.503 63.200 -0.147 0.000 1.041 192 S HN 0.698 nan 8.310 nan 0.000 0.483 193 V N 0.253 120.106 119.914 -0.102 0.000 3.078 193 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 193 V C -1.180 174.902 176.094 -0.021 0.000 1.138 193 V CA -1.056 61.212 62.300 -0.053 0.000 1.007 193 V CB 1.525 33.360 31.823 0.020 0.000 1.045 193 V HN 0.829 nan 8.190 nan 0.000 0.432 194 I N 2.510 123.071 120.570 -0.014 0.000 2.354 194 I HA 0.583 4.753 4.170 -0.000 0.000 0.292 194 I C -0.506 175.648 176.117 0.062 0.000 0.989 194 I CA -0.948 60.355 61.300 0.005 0.000 1.188 194 I CB 1.821 39.852 38.000 0.052 0.000 1.342 194 I HN 0.431 nan 8.210 nan 0.000 0.457 195 V N 7.932 127.913 119.914 0.112 0.000 2.394 195 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 195 V C -1.985 174.181 176.094 0.120 0.000 1.031 195 V CA -1.783 60.577 62.300 0.100 0.000 0.881 195 V CB 1.327 33.217 31.823 0.112 0.000 0.982 195 V HN 0.590 nan 8.190 nan 0.000 0.451 196 P HA 0.113 nan 4.420 nan 0.000 0.272 196 P C 0.708 178.071 177.300 0.105 0.000 1.223 196 P CA -0.309 62.856 63.100 0.109 0.000 0.784 196 P CB 0.951 32.708 31.700 0.095 0.000 0.923 197 R N 3.154 123.707 120.500 0.090 0.000 2.136 197 R HA -0.243 4.097 4.340 -0.000 0.000 0.242 197 R C 1.736 178.076 176.300 0.067 0.000 1.131 197 R CA 2.242 58.385 56.100 0.072 0.000 0.937 197 R CB -0.585 29.751 30.300 0.061 0.000 0.863 197 R HN 0.331 nan 8.270 nan 0.000 0.435 198 K N -0.559 119.882 120.400 0.069 0.000 2.113 198 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 198 K C 2.112 178.753 176.600 0.068 0.000 1.047 198 K CA 1.477 57.799 56.287 0.058 0.000 0.928 198 K CB -0.358 32.181 32.500 0.065 0.000 0.716 198 K HN 0.550 nan 8.250 nan 0.000 0.446 199 G N 0.523 109.404 108.800 0.136 0.000 2.408 199 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 199 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 199 G C 1.512 176.457 174.900 0.075 0.000 1.150 199 G CA 0.573 45.814 45.100 0.236 0.000 0.776 199 G HN 0.105 nan 8.290 nan 0.000 0.542 200 V N 1.447 121.410 119.914 0.082 0.000 2.427 200 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 200 V C 2.763 178.853 176.094 -0.006 0.000 1.051 200 V CA 0.928 63.280 62.300 0.086 0.000 1.048 200 V CB -0.292 31.605 31.823 0.123 0.000 0.666 200 V HN 0.246 nan 8.190 nan 0.000 0.456 201 I N -0.112 120.438 120.570 -0.032 0.000 2.179 201 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 201 I C 2.616 178.630 176.117 -0.172 0.000 1.088 201 I CA 1.447 62.706 61.300 -0.068 0.000 1.357 201 I CB -1.229 36.745 38.000 -0.044 0.000 1.051 201 I HN 0.337 nan 8.210 nan 0.000 0.409 202 E N 0.673 120.691 120.200 -0.303 0.000 2.072 202 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 202 E C 2.457 178.683 176.600 -0.624 0.000 0.985 202 E CA 0.748 56.813 56.400 -0.558 0.000 0.801 202 E CB -0.457 28.671 29.700 -0.953 0.000 0.750 202 E HN 0.424 nan 8.360 nan 0.000 0.452 203 L N 0.088 120.953 121.223 -0.596 0.000 2.013 203 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 203 L C 2.602 179.380 176.870 -0.154 0.000 1.073 203 L CA 1.461 56.115 54.840 -0.310 0.000 0.753 203 L CB -0.384 41.619 42.059 -0.094 0.000 0.890 203 L HN 0.199 nan 8.230 nan 0.000 0.432 204 M N -0.611 118.926 119.600 -0.104 0.000 2.117 204 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 204 M C 2.295 178.545 176.300 -0.084 0.000 1.065 204 M CA 1.721 56.990 55.300 -0.052 0.000 1.114 204 M CB -0.379 32.208 32.600 -0.022 0.000 1.361 204 M HN -0.017 nan 8.290 nan 0.000 0.408 205 R N -0.241 120.173 120.500 -0.144 0.000 2.115 205 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 205 R C 2.094 178.290 176.300 -0.173 0.000 1.111 205 R CA 1.692 57.700 56.100 -0.152 0.000 0.976 205 R CB -0.489 29.695 30.300 -0.194 0.000 0.870 205 R HN 0.618 nan 8.270 nan 0.000 0.445 206 M N -0.505 118.971 119.600 -0.205 0.000 2.619 206 M HA 0.051 4.531 4.480 -0.000 0.000 0.251 206 M C -0.361 175.910 176.300 -0.049 0.000 1.106 206 M CA 0.836 56.014 55.300 -0.204 0.000 1.086 206 M CB 0.255 32.728 32.600 -0.211 0.000 1.465 206 M HN -0.172 nan 8.290 nan 0.000 0.506 207 L N 3.697 124.903 121.223 -0.028 0.000 2.334 207 L HA 0.163 4.503 4.340 -0.000 0.000 0.286 207 L C 0.519 177.409 176.870 0.034 0.000 1.108 207 L CA 0.270 55.125 54.840 0.024 0.000 0.875 207 L CB 0.288 42.360 42.059 0.022 0.000 1.246 207 L HN 0.373 nan 8.230 nan 0.000 0.439 208 D N 0.566 121.006 120.400 0.066 0.000 2.269 208 D HA 0.008 4.647 4.640 -0.000 0.000 0.208 208 D C 1.385 177.714 176.300 0.050 0.000 0.963 208 D CA 0.908 54.948 54.000 0.067 0.000 0.864 208 D CB 0.155 41.019 40.800 0.107 0.000 0.936 208 D HN 0.581 nan 8.370 nan 0.000 0.505 209 G N -0.899 107.930 108.800 0.048 0.000 2.141 209 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.242 209 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.242 209 G C 0.643 175.565 174.900 0.037 0.000 0.982 209 G CA 0.130 45.254 45.100 0.039 0.000 0.662 209 G HN 0.783 nan 8.290 nan 0.000 0.527 210 G N 0.104 108.928 108.800 0.040 0.000 2.489 210 G HA2 0.491 4.451 3.960 -0.000 0.000 0.271 210 G HA3 0.491 4.451 3.960 -0.000 0.000 0.271 210 G C 0.414 175.335 174.900 0.035 0.000 1.427 210 G CA 0.511 45.631 45.100 0.034 0.000 1.057 210 G HN 0.708 nan 8.290 nan 0.000 0.532 211 D N -2.199 118.219 120.400 0.030 0.000 2.593 211 D HA 0.057 4.697 4.640 -0.000 0.000 0.241 211 D C -0.103 176.216 176.300 0.031 0.000 1.257 211 D CA -0.570 53.449 54.000 0.031 0.000 0.828 211 D CB -0.750 40.066 40.800 0.026 0.000 1.049 211 D HN 0.291 nan 8.370 nan 0.000 0.490 212 N N 2.754 121.474 118.700 0.032 0.000 2.411 212 N HA 0.087 4.827 4.740 -0.000 0.000 0.265 212 N C -2.205 173.337 175.510 0.052 0.000 1.266 212 N CA -0.825 52.248 53.050 0.037 0.000 0.889 212 N CB 0.709 39.216 38.487 0.035 0.000 1.069 212 N HN 0.199 nan 8.380 nan 0.000 0.476 213 P HA 0.050 nan 4.420 nan 0.000 0.274 213 P C -0.787 176.562 177.300 0.082 0.000 1.246 213 P CA -0.454 62.684 63.100 0.064 0.000 0.795 213 P CB 0.736 32.469 31.700 0.055 0.000 1.006 214 L N 1.436 122.713 121.223 0.091 0.000 2.309 214 L HA 0.504 4.844 4.340 -0.000 0.000 0.282 214 L C 0.145 177.061 176.870 0.077 0.000 1.036 214 L CA -0.501 54.398 54.840 0.099 0.000 0.806 214 L CB 0.898 43.021 42.059 0.108 0.000 1.220 214 L HN 0.294 nan 8.230 nan 0.000 0.429 215 R N 3.789 124.327 120.500 0.063 0.000 2.393 215 R HA 0.690 5.030 4.340 -0.000 0.000 0.315 215 R C -1.763 174.486 176.300 -0.085 0.000 0.952 215 R CA -0.604 55.485 56.100 -0.018 0.000 0.842 215 R CB 1.453 31.734 30.300 -0.030 0.000 1.163 215 R HN 0.561 nan 8.270 nan 0.000 0.450 216 V N 4.612 124.348 119.914 -0.296 0.000 2.459 216 V HA 0.348 4.468 4.120 -0.000 0.000 0.295 216 V C -0.434 175.385 176.094 -0.459 0.000 1.029 216 V CA -0.737 61.307 62.300 -0.427 0.000 0.874 216 V CB 1.804 33.203 31.823 -0.708 0.000 0.985 216 V HN 0.758 nan 8.190 nan 0.000 0.438 217 Q N 4.366 124.051 119.800 -0.191 0.000 2.340 217 Q HA 0.677 5.017 4.340 -0.000 0.000 0.268 217 Q C -1.273 174.776 176.000 0.082 0.000 1.031 217 Q CA -0.452 55.320 55.803 -0.052 0.000 0.804 217 Q CB 2.969 31.726 28.738 0.031 0.000 1.286 217 Q HN 0.645 nan 8.270 nan 0.000 0.448 218 I N 1.519 122.132 120.570 0.072 0.000 2.406 218 I HA 0.531 4.701 4.170 -0.000 0.000 0.290 218 I C 0.327 176.522 176.117 0.130 0.000 0.999 218 I CA -0.545 60.797 61.300 0.071 0.000 1.124 218 I CB 1.836 39.887 38.000 0.086 0.000 1.289 218 I HN 0.670 nan 8.210 nan 0.000 0.441 219 G N 2.062 110.887 108.800 0.041 0.000 2.887 219 G HA2 0.322 4.282 3.960 -0.000 0.000 0.277 219 G HA3 0.322 4.282 3.960 -0.000 0.000 0.277 219 G C 0.804 175.695 174.900 -0.017 0.000 1.346 219 G CA 0.079 45.231 45.100 0.086 0.000 1.058 219 G HN 0.596 nan 8.290 nan 0.000 0.535 220 S N -1.415 114.294 115.700 0.015 0.000 2.423 220 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 220 S C 1.090 175.667 174.600 -0.038 0.000 1.014 220 S CA 1.489 59.706 58.200 0.029 0.000 0.965 220 S CB -0.149 63.076 63.200 0.042 0.000 0.785 220 S HN 0.508 nan 8.310 nan 0.000 0.495 221 N N 0.610 119.220 118.700 -0.151 0.000 2.232 221 N HA 0.374 5.114 4.740 -0.000 0.000 0.240 221 N C -1.246 174.046 175.510 -0.364 0.000 1.307 221 N CA -0.397 52.539 53.050 -0.190 0.000 0.859 221 N CB 0.744 39.153 38.487 -0.130 0.000 1.260 221 N HN 0.383 nan 8.380 nan 0.000 0.501 222 N N 0.090 118.437 118.700 -0.587 0.000 2.610 222 N HA 0.568 5.308 4.740 -0.000 0.000 0.264 222 N C -1.868 173.217 175.510 -0.709 0.000 1.348 222 N CA -0.722 51.820 53.050 -0.847 0.000 0.819 222 N CB 2.376 39.796 38.487 -1.778 0.000 1.521 222 N HN -0.055 nan 8.380 nan 0.000 0.497 223 I N -0.219 120.033 120.570 -0.530 0.000 2.865 223 I HA 0.567 4.737 4.170 -0.000 0.000 0.302 223 I C -1.499 174.523 176.117 -0.157 0.000 1.140 223 I CA -0.769 60.362 61.300 -0.281 0.000 1.021 223 I CB 1.973 39.848 38.000 -0.208 0.000 1.233 223 I HN 0.516 nan 8.210 nan 0.000 0.427 224 R N 5.287 125.815 120.500 0.046 0.000 2.575 224 R HA 0.833 5.173 4.340 -0.000 0.000 0.293 224 R C -1.893 174.443 176.300 0.059 0.000 0.983 224 R CA -0.479 55.684 56.100 0.105 0.000 0.887 224 R CB 1.951 32.424 30.300 0.288 0.000 1.184 224 R HN 0.714 nan 8.270 nan 0.000 0.445 225 A N 3.338 126.220 122.820 0.103 0.000 2.350 225 A HA 0.452 4.772 4.320 -0.000 0.000 0.324 225 A C -1.566 176.127 177.584 0.183 0.000 1.118 225 A CA -0.579 51.534 52.037 0.127 0.000 0.783 225 A CB 1.270 20.361 19.000 0.152 0.000 1.236 225 A HN 0.786 nan 8.150 nan 0.000 0.457 226 H N 2.190 121.295 119.070 0.060 0.000 2.970 226 H HA 0.560 5.116 4.556 -0.000 0.000 0.315 226 H C -1.768 173.598 175.328 0.064 0.000 0.992 226 H CA -0.184 55.903 56.048 0.065 0.000 1.363 226 H CB 1.263 31.036 29.762 0.018 0.000 1.532 226 H HN 0.439 nan 8.280 nan 0.000 0.514 227 V N 3.334 123.289 119.914 0.068 0.000 2.769 227 V HA 0.506 4.626 4.120 -0.000 0.000 0.312 227 V C 1.409 177.504 176.094 0.001 0.000 1.061 227 V CA -0.209 62.153 62.300 0.103 0.000 0.931 227 V CB 1.311 33.212 31.823 0.131 0.000 1.010 227 V HN 0.949 nan 8.190 nan 0.000 0.433 228 G N 2.664 111.469 108.800 0.008 0.000 2.686 228 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.359 228 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.359 228 G C 0.323 175.110 174.900 -0.189 0.000 1.222 228 G CA 1.166 46.212 45.100 -0.091 0.000 0.956 228 G HN 0.817 nan 8.290 nan 0.000 0.565 229 D N 0.835 120.988 120.400 -0.412 0.000 2.395 229 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 229 D C -0.097 175.900 176.300 -0.504 0.000 1.146 229 D CA 0.230 53.968 54.000 -0.436 0.000 0.830 229 D CB -0.049 40.491 40.800 -0.433 0.000 0.958 229 D HN 0.107 nan 8.370 nan 0.000 0.501 230 F N 0.519 120.320 119.950 -0.248 0.000 2.480 230 F HA 0.510 5.037 4.527 0.000 0.000 0.329 230 F C 0.433 176.039 175.800 -0.324 0.000 1.091 230 F CA -1.026 56.849 58.000 -0.208 0.000 0.972 230 F CB 1.685 40.621 39.000 -0.107 0.000 1.150 230 F HN -0.291 nan 8.300 nan 0.000 0.467 231 I N 3.457 124.055 120.570 0.047 0.000 2.512 231 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 231 I C -1.547 174.664 176.117 0.156 0.000 1.069 231 I CA -0.661 60.657 61.300 0.029 0.000 1.056 231 I CB 2.146 40.159 38.000 0.022 0.000 1.229 231 I HN 0.389 nan 8.210 nan 0.000 0.429 232 F N 5.751 125.716 119.950 0.025 0.000 2.467 232 F HA 0.635 5.162 4.527 -0.000 0.000 0.336 232 F C -0.603 175.224 175.800 0.044 0.000 1.123 232 F CA -0.328 57.682 58.000 0.016 0.000 0.964 232 F CB 1.682 40.669 39.000 -0.021 0.000 1.136 232 F HN 0.274 nan 8.300 nan 0.000 0.447 233 T N 4.284 118.357 114.554 -0.802 0.000 2.824 233 T HA 0.558 4.908 4.350 -0.000 0.000 0.282 233 T C -1.010 173.166 174.700 -0.873 0.000 0.993 233 T CA -0.724 60.996 62.100 -0.634 0.000 0.967 233 T CB 1.525 70.316 68.868 -0.129 0.000 0.960 233 T HN 0.588 nan 8.240 nan 0.000 0.441 234 S N 1.848 117.148 115.700 -0.667 0.000 2.570 234 S HA 0.523 4.993 4.470 -0.000 0.000 0.286 234 S C -0.510 173.907 174.600 -0.304 0.000 1.099 234 S CA -0.966 56.989 58.200 -0.409 0.000 0.913 234 S CB 0.864 63.920 63.200 -0.239 0.000 1.085 234 S HN 0.531 nan 8.310 nan 0.000 0.480 235 K N 1.511 121.785 120.400 -0.210 0.000 2.187 235 K HA 0.314 4.634 4.320 -0.000 0.000 0.247 235 K C -0.738 175.783 176.600 -0.132 0.000 1.019 235 K CA -0.492 55.681 56.287 -0.190 0.000 0.893 235 K CB 0.166 32.593 32.500 -0.122 0.000 1.025 235 K HN 0.337 nan 8.250 nan 0.000 0.500 236 L N 0.609 121.764 121.223 -0.113 0.000 2.313 236 L HA 0.369 4.709 4.340 -0.000 0.000 0.268 236 L C -0.529 176.351 176.870 0.016 0.000 1.010 236 L CA -0.881 53.927 54.840 -0.053 0.000 0.814 236 L CB 1.916 43.927 42.059 -0.079 0.000 1.304 236 L HN 0.272 nan 8.230 nan 0.000 0.441 237 V N 1.527 121.488 119.914 0.077 0.000 2.472 237 V HA 0.370 4.490 4.120 -0.000 0.000 0.290 237 V C -0.452 175.755 176.094 0.189 0.000 1.037 237 V CA -1.060 61.345 62.300 0.174 0.000 0.908 237 V CB 1.608 33.581 31.823 0.251 0.000 0.985 237 V HN 0.661 nan 8.190 nan 0.000 0.454 238 D N 2.726 123.288 120.400 0.271 0.000 2.339 238 D HA 0.588 5.228 4.640 -0.000 0.000 0.245 238 D C 0.460 176.913 176.300 0.254 0.000 1.115 238 D CA 0.627 54.771 54.000 0.240 0.000 0.917 238 D CB 1.691 42.632 40.800 0.234 0.000 1.192 238 D HN 1.001 nan 8.370 nan 0.000 0.428 239 G N 0.390 109.212 108.800 0.037 0.000 2.362 239 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.656 239 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.656 239 G C -1.189 173.471 174.900 -0.399 0.000 1.376 239 G CA -1.135 43.824 45.100 -0.236 0.000 0.971 239 G HN 0.434 nan 8.290 nan 0.000 0.636 240 R N 0.178 120.293 120.500 -0.641 0.000 2.230 240 R HA 0.391 4.731 4.340 -0.000 0.000 0.337 240 R C -0.347 175.622 176.300 -0.551 0.000 1.063 240 R CA -0.503 55.334 56.100 -0.438 0.000 0.935 240 R CB 0.915 31.035 30.300 -0.299 0.000 1.121 240 R HN 0.363 nan 8.270 nan 0.000 0.486 241 F N 4.257 123.982 119.950 -0.375 0.000 2.471 241 F HA 0.196 4.723 4.527 0.000 0.000 0.353 241 F C -1.386 174.350 175.800 -0.107 0.000 1.113 241 F CA -1.597 56.294 58.000 -0.181 0.000 1.262 241 F CB 0.553 39.515 39.000 -0.063 0.000 1.146 241 F HN 0.360 nan 8.300 nan 0.000 0.578 242 P HA 0.000 nan 4.420 nan 0.000 0.269 242 P C -1.365 175.974 177.300 0.064 0.000 1.217 242 P CA -0.022 62.983 63.100 -0.160 0.000 0.783 242 P CB 0.421 31.959 31.700 -0.272 0.000 0.898 243 D N 0.724 121.132 120.400 0.013 0.000 2.427 243 D HA 0.048 4.688 4.640 -0.000 0.000 0.226 243 D C 0.777 177.046 176.300 -0.051 0.000 1.076 243 D CA -0.657 53.348 54.000 0.008 0.000 0.849 243 D CB 0.191 40.950 40.800 -0.068 0.000 1.052 243 D HN 0.382 nan 8.370 nan 0.000 0.515 244 Y N 3.557 123.866 120.300 0.014 0.000 2.384 244 Y HA -0.106 4.444 4.550 -0.000 0.000 0.289 244 Y C 1.709 177.596 175.900 -0.022 0.000 1.152 244 Y CA 0.961 59.055 58.100 -0.011 0.000 1.258 244 Y CB -0.395 38.054 38.460 -0.019 0.000 0.979 244 Y HN 0.248 nan 8.280 nan 0.000 0.549 245 R N 0.100 120.044 120.500 -0.926 0.000 2.152 245 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 245 R C 2.126 178.270 176.300 -0.260 0.000 1.117 245 R CA 1.576 57.293 56.100 -0.639 0.000 0.981 245 R CB -0.225 29.726 30.300 -0.581 0.000 0.870 245 R HN 0.259 nan 8.270 nan 0.000 0.451 246 R N -0.590 119.795 120.500 -0.191 0.000 2.210 246 R HA 0.053 4.393 4.340 -0.000 0.000 0.203 246 R C 1.740 178.003 176.300 -0.062 0.000 1.010 246 R CA 0.415 56.452 56.100 -0.104 0.000 1.008 246 R CB 0.421 30.668 30.300 -0.090 0.000 0.923 246 R HN 0.008 nan 8.270 nan 0.000 0.469 247 V N 0.120 120.007 119.914 -0.046 0.000 2.500 247 V HA 0.030 4.150 4.120 -0.000 0.000 0.243 247 V C 0.434 176.537 176.094 0.015 0.000 1.039 247 V CA 0.183 62.478 62.300 -0.009 0.000 1.053 247 V CB -0.209 31.620 31.823 0.009 0.000 0.695 247 V HN 0.098 nan 8.190 nan 0.000 0.463 248 L N 2.383 123.623 121.223 0.027 0.000 2.653 248 L HA 0.053 4.393 4.340 -0.000 0.000 0.288 248 L C -2.084 174.801 176.870 0.025 0.000 1.243 248 L CA -1.139 53.727 54.840 0.043 0.000 0.906 248 L CB -0.819 41.269 42.059 0.049 0.000 1.154 248 L HN 0.148 nan 8.230 nan 0.000 0.498 249 P HA 0.013 nan 4.420 nan 0.000 0.262 249 P C 0.328 177.645 177.300 0.028 0.000 1.182 249 P CA -0.054 63.069 63.100 0.038 0.000 0.761 249 P CB 0.371 32.105 31.700 0.057 0.000 0.795 250 K N 2.501 122.910 120.400 0.015 0.000 2.034 250 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 250 K C 0.912 177.524 176.600 0.020 0.000 1.051 250 K CA 1.366 57.658 56.287 0.009 0.000 0.931 250 K CB -0.155 32.346 32.500 0.002 0.000 0.715 250 K HN 0.485 nan 8.250 nan 0.000 0.446 251 N N 0.082 118.797 118.700 0.025 0.000 2.732 251 N HA 0.111 4.851 4.740 -0.000 0.000 0.247 251 N C -2.954 172.572 175.510 0.027 0.000 1.305 251 N CA -1.003 52.066 53.050 0.032 0.000 0.762 251 N CB 1.458 39.958 38.487 0.022 0.000 1.361 251 N HN -0.116 nan 8.380 nan 0.000 0.545 252 P HA 0.189 nan 4.420 nan 0.000 0.238 252 P C 0.492 177.751 177.300 -0.069 0.000 1.794 252 P CA -0.102 63.018 63.100 0.033 0.000 1.088 252 P CB 0.085 31.841 31.700 0.094 0.000 1.923 253 D N 2.017 122.334 120.400 -0.138 0.000 2.183 253 D HA -0.125 4.515 4.640 -0.000 0.000 0.203 253 D C 0.009 176.004 176.300 -0.508 0.000 0.969 253 D CA 0.628 54.455 54.000 -0.289 0.000 0.842 253 D CB -0.053 40.681 40.800 -0.109 0.000 0.957 253 D HN 0.273 nan 8.370 nan 0.000 0.484 254 K N 1.212 121.473 120.400 -0.233 0.000 2.382 254 K HA 0.092 4.412 4.320 -0.000 0.000 0.286 254 K C -0.459 176.122 176.600 -0.032 0.000 1.062 254 K CA 0.038 56.316 56.287 -0.016 0.000 1.000 254 K CB 0.401 33.017 32.500 0.194 0.000 0.954 254 K HN 0.221 nan 8.250 nan 0.000 0.470 255 H N 2.659 121.895 119.070 0.276 0.000 2.481 255 H HA 0.274 4.830 4.556 -0.000 0.000 0.333 255 H C -0.786 174.733 175.328 0.318 0.000 1.066 255 H CA -0.821 55.356 56.048 0.215 0.000 1.209 255 H CB 1.257 31.094 29.762 0.124 0.000 1.445 255 H HN 0.419 nan 8.280 nan 0.000 0.488 256 L N 2.618 124.048 121.223 0.345 0.000 2.322 256 L HA 0.400 4.740 4.340 -0.000 0.000 0.281 256 L C -0.266 176.703 176.870 0.165 0.000 1.014 256 L CA -0.434 54.554 54.840 0.247 0.000 0.815 256 L CB 1.369 43.477 42.059 0.083 0.000 1.247 256 L HN 0.519 nan 8.230 nan 0.000 0.421 257 E N 3.693 123.977 120.200 0.140 0.000 2.199 257 E HA 0.777 5.127 4.350 -0.000 0.000 0.269 257 E C -1.352 175.292 176.600 0.073 0.000 0.899 257 E CA -0.764 55.691 56.400 0.091 0.000 0.772 257 E CB 2.167 31.912 29.700 0.075 0.000 1.155 257 E HN 0.730 nan 8.360 nan 0.000 0.408 258 A N 1.788 124.642 122.820 0.056 0.000 2.606 258 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 258 A C -0.299 177.305 177.584 0.034 0.000 1.082 258 A CA -0.384 51.679 52.037 0.043 0.000 0.685 258 A CB 1.443 20.468 19.000 0.042 0.000 1.284 258 A HN 0.604 nan 8.150 nan 0.000 0.408 259 G N -0.352 108.463 108.800 0.025 0.000 2.313 259 G HA2 0.314 4.274 3.960 -0.000 0.000 0.250 259 G HA3 0.314 4.274 3.960 -0.000 0.000 0.250 259 G C 1.084 175.997 174.900 0.021 0.000 1.281 259 G CA 0.485 45.596 45.100 0.019 0.000 0.917 259 G HN 1.332 nan 8.290 nan 0.000 0.501 260 C N 2.175 121.485 119.300 0.017 0.000 2.413 260 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 260 C C 2.403 177.401 174.990 0.014 0.000 1.228 260 C CA 1.637 60.664 59.018 0.014 0.000 1.731 260 C CB -0.649 27.090 27.740 -0.001 0.000 2.042 260 C HN 0.789 nan 8.230 nan 0.000 0.468 261 D N 0.341 120.745 120.400 0.006 0.000 2.117 261 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 261 D C 1.967 178.274 176.300 0.010 0.000 0.987 261 D CA 0.847 54.850 54.000 0.005 0.000 0.829 261 D CB -0.672 40.128 40.800 -0.001 0.000 0.961 261 D HN 0.321 nan 8.370 nan 0.000 0.460 262 L N 0.478 121.706 121.223 0.007 0.000 2.013 262 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 262 L C 2.220 179.090 176.870 -0.000 0.000 1.073 262 L CA 1.286 56.126 54.840 -0.000 0.000 0.753 262 L CB -0.853 41.203 42.059 -0.004 0.000 0.890 262 L HN 0.064 nan 8.230 nan 0.000 0.432 263 L N -0.591 120.645 121.223 0.021 0.000 2.072 263 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 263 L C 2.574 179.531 176.870 0.144 0.000 1.079 263 L CA 1.856 56.722 54.840 0.043 0.000 0.752 263 L CB -0.661 41.457 42.059 0.098 0.000 0.906 263 L HN 0.293 nan 8.230 nan 0.000 0.436 264 K N -1.263 119.213 120.400 0.126 0.000 2.032 264 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 264 K C 2.071 178.735 176.600 0.106 0.000 1.048 264 K CA 1.579 57.943 56.287 0.127 0.000 0.927 264 K CB -0.062 32.461 32.500 0.038 0.000 0.712 264 K HN 0.304 nan 8.250 nan 0.000 0.441 265 Q N -0.140 119.690 119.800 0.050 0.000 2.224 265 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 265 Q C 1.972 177.986 176.000 0.023 0.000 0.970 265 Q CA 1.397 57.217 55.803 0.030 0.000 0.865 265 Q CB -0.155 28.588 28.738 0.009 0.000 0.922 265 Q HN 0.454 nan 8.270 nan 0.000 0.445 266 A N -0.297 122.519 122.820 -0.007 0.000 1.897 266 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 266 A C 1.824 179.374 177.584 -0.056 0.000 1.181 266 A CA 0.827 52.818 52.037 -0.077 0.000 0.620 266 A CB -0.666 18.224 19.000 -0.182 0.000 0.821 266 A HN 0.249 nan 8.150 nan 0.000 0.443 267 F N 0.389 120.338 119.950 -0.001 0.000 2.171 267 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 267 F C 2.767 178.565 175.800 -0.003 0.000 1.090 267 F CA 0.883 58.883 58.000 0.001 0.000 1.293 267 F CB -0.572 38.423 39.000 -0.008 0.000 1.013 267 F HN 0.257 nan 8.300 nan 0.000 0.486 268 A N -0.010 122.917 122.820 0.177 0.000 1.930 268 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 268 A C 2.356 179.975 177.584 0.059 0.000 1.175 268 A CA 1.367 53.457 52.037 0.088 0.000 0.627 268 A CB -0.539 18.492 19.000 0.052 0.000 0.815 268 A HN 0.285 nan 8.150 nan 0.000 0.443 269 R N -0.605 119.923 120.500 0.047 0.000 2.062 269 R HA -0.052 4.288 4.340 -0.000 0.000 0.231 269 R C 2.562 178.884 176.300 0.037 0.000 1.136 269 R CA 1.194 57.311 56.100 0.029 0.000 0.948 269 R CB -0.529 29.777 30.300 0.011 0.000 0.845 269 R HN 0.490 nan 8.270 nan 0.000 0.430 270 A N 1.483 124.333 122.820 0.049 0.000 1.917 270 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 270 A C 2.388 180.017 177.584 0.075 0.000 1.182 270 A CA 1.892 53.967 52.037 0.062 0.000 0.633 270 A CB -0.727 18.323 19.000 0.083 0.000 0.819 270 A HN 0.432 nan 8.150 nan 0.000 0.448 271 A N -0.093 122.782 122.820 0.091 0.000 1.978 271 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 271 A C 2.007 179.613 177.584 0.037 0.000 1.170 271 A CA 1.503 53.581 52.037 0.067 0.000 0.636 271 A CB -0.734 18.301 19.000 0.059 0.000 0.810 271 A HN 0.547 nan 8.150 nan 0.000 0.448 272 I N -0.738 119.850 120.570 0.031 0.000 2.315 272 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 272 I C 1.367 177.495 176.117 0.017 0.000 1.125 272 I CA 1.182 62.493 61.300 0.018 0.000 1.392 272 I CB -0.168 37.840 38.000 0.014 0.000 1.065 272 I HN 0.253 nan 8.210 nan 0.000 0.424 273 L N 0.104 121.342 121.223 0.026 0.000 2.965 273 L HA 0.203 4.543 4.340 -0.000 0.000 0.254 273 L C 0.854 177.744 176.870 0.033 0.000 1.220 273 L CA -0.343 54.511 54.840 0.025 0.000 1.023 273 L CB -0.160 41.913 42.059 0.024 0.000 1.355 273 L HN 0.189 nan 8.230 nan 0.000 0.545 274 S N -1.256 114.466 115.700 0.036 0.000 2.646 274 S HA 0.203 4.673 4.470 -0.000 0.000 0.276 274 S C 0.208 174.828 174.600 0.033 0.000 1.222 274 S CA -0.680 57.545 58.200 0.043 0.000 1.014 274 S CB 1.468 64.696 63.200 0.047 0.000 0.991 274 S HN 0.260 nan 8.310 nan 0.000 0.533 275 N N 1.202 119.933 118.700 0.052 0.000 2.411 275 N HA -0.042 4.698 4.740 -0.000 0.000 0.261 275 N C 0.833 176.345 175.510 0.002 0.000 1.248 275 N CA 0.315 53.398 53.050 0.054 0.000 0.885 275 N CB 0.385 38.957 38.487 0.140 0.000 1.062 275 N HN 0.772 nan 8.380 nan 0.000 0.471 276 E N 3.026 123.207 120.200 -0.033 0.000 2.209 276 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 276 E C 1.276 177.796 176.600 -0.134 0.000 0.993 276 E CA 1.103 57.462 56.400 -0.069 0.000 0.819 276 E CB 0.255 29.918 29.700 -0.063 0.000 0.745 276 E HN 0.637 nan 8.360 nan 0.000 0.477 277 K N -0.205 120.063 120.400 -0.220 0.000 2.168 277 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 277 K C 1.314 177.640 176.600 -0.457 0.000 1.049 277 K CA 0.682 56.707 56.287 -0.436 0.000 0.974 277 K CB 0.198 32.257 32.500 -0.736 0.000 0.792 277 K HN -0.027 nan 8.250 nan 0.000 0.463 278 F N 0.716 120.625 119.950 -0.069 0.000 2.622 278 F HA 0.306 4.833 4.527 -0.000 0.000 0.288 278 F C 0.312 176.050 175.800 -0.105 0.000 1.120 278 F CA -0.132 57.817 58.000 -0.086 0.000 1.423 278 F CB 0.502 39.467 39.000 -0.059 0.000 1.127 278 F HN -0.088 nan 8.300 nan 0.000 0.588 279 R N 0.327 120.868 120.500 0.068 0.000 3.641 279 R HA -0.151 4.189 4.340 -0.000 0.000 0.286 279 R C 0.456 176.771 176.300 0.026 0.000 1.153 279 R CA 0.660 56.762 56.100 0.004 0.000 0.775 279 R CB -2.593 27.660 30.300 -0.078 0.000 1.215 279 R HN 0.372 nan 8.270 nan 0.000 0.474 280 G N 0.639 109.478 108.800 0.064 0.000 2.378 280 G HA2 0.430 4.390 3.960 -0.000 0.000 0.255 280 G HA3 0.430 4.390 3.960 -0.000 0.000 0.255 280 G C 0.512 175.456 174.900 0.073 0.000 1.270 280 G CA 0.114 45.246 45.100 0.054 0.000 0.876 280 G HN 0.223 nan 8.290 nan 0.000 0.521 281 V N 0.467 120.444 119.914 0.104 0.000 3.046 281 V HA 0.810 4.930 4.120 -0.000 0.000 0.316 281 V C -0.337 175.827 176.094 0.116 0.000 1.104 281 V CA -1.682 60.703 62.300 0.141 0.000 1.006 281 V CB 2.099 34.065 31.823 0.237 0.000 1.058 281 V HN 0.737 nan 8.190 nan 0.000 0.440 282 R N 1.995 122.556 120.500 0.102 0.000 2.437 282 R HA 0.715 5.055 4.340 -0.000 0.000 0.310 282 R C -1.748 174.558 176.300 0.010 0.000 0.955 282 R CA -0.700 55.390 56.100 -0.017 0.000 0.851 282 R CB 1.814 32.068 30.300 -0.076 0.000 1.161 282 R HN 0.577 nan 8.270 nan 0.000 0.446 283 L N 3.758 124.946 121.223 -0.057 0.000 2.295 283 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 283 L C -0.876 175.865 176.870 -0.215 0.000 1.035 283 L CA -0.383 54.466 54.840 0.016 0.000 0.806 283 L CB 0.587 42.741 42.059 0.158 0.000 1.214 283 L HN 0.460 nan 8.230 nan 0.000 0.426 284 Y N 2.632 122.939 120.300 0.011 0.000 2.334 284 Y HA 0.553 5.103 4.550 -0.000 0.000 0.336 284 Y C 0.018 175.899 175.900 -0.031 0.000 0.960 284 Y CA -0.767 57.329 58.100 -0.007 0.000 1.164 284 Y CB 1.916 40.373 38.460 -0.005 0.000 1.155 284 Y HN 0.304 nan 8.280 nan 0.000 0.478 285 V N 4.634 124.578 119.914 0.050 0.000 2.427 285 V HA 0.837 4.957 4.120 -0.000 0.000 0.286 285 V C -0.440 175.672 176.094 0.030 0.000 1.034 285 V CA -0.045 62.208 62.300 -0.078 0.000 0.893 285 V CB 1.156 32.780 31.823 -0.331 0.000 0.982 285 V HN 0.897 nan 8.190 nan 0.000 0.452 286 S N 3.567 119.325 115.700 0.097 0.000 2.752 286 S HA 0.483 4.953 4.470 -0.000 0.000 0.284 286 S C -0.494 174.299 174.600 0.321 0.000 1.189 286 S CA -0.779 57.552 58.200 0.220 0.000 0.835 286 S CB 1.180 64.460 63.200 0.134 0.000 1.192 286 S HN 0.914 nan 8.310 nan 0.000 0.506 287 E N 1.077 121.411 120.200 0.224 0.000 2.585 287 E HA 0.029 4.379 4.350 -0.000 0.000 0.252 287 E C -0.359 176.333 176.600 0.152 0.000 0.981 287 E CA 0.272 56.771 56.400 0.165 0.000 0.943 287 E CB -0.243 29.499 29.700 0.070 0.000 0.923 287 E HN 0.518 nan 8.360 nan 0.000 0.486 288 N N 3.087 121.895 118.700 0.179 0.000 2.701 288 N HA -0.270 4.470 4.740 -0.000 0.000 0.250 288 N C -1.092 174.479 175.510 0.101 0.000 1.046 288 N CA 1.352 54.482 53.050 0.132 0.000 0.733 288 N CB -0.845 37.689 38.487 0.077 0.000 0.973 288 N HN 0.671 nan 8.380 nan 0.000 0.541 289 Q N -0.411 119.456 119.800 0.112 0.000 2.320 289 Q HA 0.592 4.931 4.340 -0.000 0.000 0.272 289 Q C -1.912 174.112 176.000 0.039 0.000 1.023 289 Q CA -0.830 55.010 55.803 0.061 0.000 0.855 289 Q CB 1.568 30.336 28.738 0.051 0.000 1.367 289 Q HN 0.198 nan 8.270 nan 0.000 0.406 290 L N 2.995 124.223 121.223 0.009 0.000 2.381 290 L HA 0.632 4.972 4.340 -0.000 0.000 0.274 290 L C -1.709 175.154 176.870 -0.011 0.000 0.988 290 L CA -0.141 54.694 54.840 -0.008 0.000 0.824 290 L CB 1.726 43.760 42.059 -0.042 0.000 1.263 290 L HN 0.579 nan 8.230 nan 0.000 0.410 291 K N 5.694 126.121 120.400 0.044 0.000 2.292 291 K HA 0.671 4.991 4.320 -0.000 0.000 0.257 291 K C -1.550 175.115 176.600 0.107 0.000 0.940 291 K CA -0.517 55.797 56.287 0.045 0.000 0.811 291 K CB 1.148 33.663 32.500 0.025 0.000 1.120 291 K HN 0.737 nan 8.250 nan 0.000 0.428 292 I N 3.827 124.405 120.570 0.014 0.000 2.406 292 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 292 I C -0.139 176.026 176.117 0.080 0.000 0.999 292 I CA -0.712 60.603 61.300 0.025 0.000 1.124 292 I CB 2.073 39.957 38.000 -0.193 0.000 1.289 292 I HN 0.731 nan 8.210 nan 0.000 0.441 293 T N 2.493 117.144 114.554 0.162 0.000 2.924 293 T HA 0.919 5.269 4.350 -0.000 0.000 0.291 293 T C -0.632 174.140 174.700 0.120 0.000 1.045 293 T CA -0.864 61.315 62.100 0.130 0.000 1.015 293 T CB 2.322 71.293 68.868 0.172 0.000 1.103 293 T HN 0.708 nan 8.240 nan 0.000 0.496 294 A N 2.039 124.911 122.820 0.086 0.000 2.515 294 A HA 0.892 5.212 4.320 -0.000 0.000 0.298 294 A C -0.984 176.635 177.584 0.058 0.000 1.059 294 A CA -1.138 50.945 52.037 0.077 0.000 0.698 294 A CB 1.351 20.396 19.000 0.075 0.000 1.289 294 A HN 1.270 nan 8.150 nan 0.000 0.404 295 N N 0.105 118.837 118.700 0.053 0.000 2.591 295 N HA 0.627 5.367 4.740 -0.000 0.000 0.263 295 N C -1.127 174.408 175.510 0.041 0.000 1.308 295 N CA -0.774 52.301 53.050 0.041 0.000 0.837 295 N CB 1.149 39.658 38.487 0.037 0.000 1.548 295 N HN 0.658 nan 8.380 nan 0.000 0.493 296 N N -1.255 117.466 118.700 0.035 0.000 2.531 296 N HA 0.595 5.335 4.740 -0.000 0.000 0.290 296 N C -2.420 173.110 175.510 0.034 0.000 1.257 296 N CA -2.056 51.017 53.050 0.037 0.000 0.863 296 N CB 0.301 38.805 38.487 0.028 0.000 1.320 296 N HN 0.305 nan 8.380 nan 0.000 0.538 297 P HA -0.030 nan 4.420 nan 0.000 0.225 297 P C 0.134 177.447 177.300 0.022 0.000 1.148 297 P CA 1.111 64.231 63.100 0.033 0.000 0.779 297 P CB 0.199 31.922 31.700 0.038 0.000 0.780 298 E N -0.507 119.704 120.200 0.018 0.000 2.516 298 E HA -0.066 4.284 4.350 -0.000 0.000 0.199 298 E C 0.583 177.191 176.600 0.012 0.000 1.069 298 E CA 0.224 56.632 56.400 0.013 0.000 0.876 298 E CB -0.664 29.042 29.700 0.010 0.000 0.843 298 E HN 0.263 nan 8.360 nan 0.000 0.530 299 Q N -0.802 119.008 119.800 0.015 0.000 2.460 299 Q HA -0.231 4.109 4.340 -0.000 0.000 0.248 299 Q C -0.721 175.287 176.000 0.013 0.000 0.847 299 Q CA 0.762 56.573 55.803 0.014 0.000 1.214 299 Q CB -1.869 26.876 28.738 0.010 0.000 1.523 299 Q HN 0.416 nan 8.270 nan 0.000 0.602 300 E N 0.985 121.193 120.200 0.014 0.000 2.366 300 E HA 0.283 4.633 4.350 -0.000 0.000 0.266 300 E C -0.164 176.446 176.600 0.017 0.000 1.051 300 E CA 0.079 56.487 56.400 0.013 0.000 0.884 300 E CB 0.723 30.430 29.700 0.012 0.000 1.006 300 E HN 0.124 nan 8.360 nan 0.000 0.417 301 E N 0.505 120.714 120.200 0.015 0.000 2.293 301 E HA 0.598 4.948 4.350 -0.000 0.000 0.270 301 E C -1.293 175.316 176.600 0.016 0.000 0.879 301 E CA -0.904 55.507 56.400 0.018 0.000 0.756 301 E CB 2.092 31.800 29.700 0.014 0.000 1.208 301 E HN 0.478 nan 8.360 nan 0.000 0.428 302 A N 2.202 125.036 122.820 0.023 0.000 2.354 302 A HA 0.673 4.993 4.320 -0.000 0.000 0.321 302 A C -0.885 176.708 177.584 0.016 0.000 1.125 302 A CA -0.546 51.502 52.037 0.017 0.000 0.799 302 A CB 1.643 20.655 19.000 0.022 0.000 1.293 302 A HN 0.667 nan 8.150 nan 0.000 0.452 303 E N 0.814 121.014 120.200 0.001 0.000 2.291 303 E HA 0.387 4.737 4.350 -0.000 0.000 0.276 303 E C -1.543 175.043 176.600 -0.024 0.000 0.896 303 E CA -0.427 55.967 56.400 -0.009 0.000 0.774 303 E CB 1.344 31.030 29.700 -0.023 0.000 1.227 303 E HN 0.615 nan 8.360 nan 0.000 0.413 304 E N 4.259 124.437 120.200 -0.038 0.000 2.222 304 E HA 0.468 4.818 4.350 -0.000 0.000 0.267 304 E C -0.494 176.068 176.600 -0.064 0.000 0.884 304 E CA -0.714 55.650 56.400 -0.061 0.000 0.764 304 E CB 2.166 31.807 29.700 -0.099 0.000 1.169 304 E HN 0.494 nan 8.360 nan 0.000 0.413 305 I N 3.768 124.305 120.570 -0.055 0.000 2.465 305 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 305 I C -0.222 175.866 176.117 -0.048 0.000 1.014 305 I CA -0.903 60.368 61.300 -0.048 0.000 1.093 305 I CB 1.269 39.248 38.000 -0.036 0.000 1.267 305 I HN 0.287 nan 8.210 nan 0.000 0.431 306 L N 2.051 123.245 121.223 -0.049 0.000 2.350 306 L HA 0.743 5.083 4.340 -0.000 0.000 0.260 306 L C -1.139 175.722 176.870 -0.015 0.000 1.015 306 L CA -1.066 53.752 54.840 -0.037 0.000 0.821 306 L CB 1.834 43.861 42.059 -0.054 0.000 1.370 306 L HN 0.282 nan 8.230 nan 0.000 0.416 307 D N 1.778 122.176 120.400 -0.003 0.000 2.345 307 D HA 0.520 5.160 4.640 -0.000 0.000 0.247 307 D C 0.007 176.320 176.300 0.022 0.000 1.108 307 D CA 0.102 54.110 54.000 0.014 0.000 0.894 307 D CB 2.384 43.193 40.800 0.015 0.000 1.203 307 D HN 0.613 nan 8.370 nan 0.000 0.430 308 V N -1.337 118.603 119.914 0.044 0.000 3.182 308 V HA 0.594 4.714 4.120 -0.000 0.000 0.308 308 V C -0.272 175.876 176.094 0.090 0.000 1.240 308 V CA -0.900 61.437 62.300 0.061 0.000 1.063 308 V CB 1.817 33.677 31.823 0.063 0.000 1.076 308 V HN 0.395 nan 8.190 nan 0.000 0.446 309 T N 2.899 117.515 114.554 0.104 0.000 2.727 309 T HA 0.615 4.965 4.350 -0.000 0.000 0.298 309 T C -1.199 173.630 174.700 0.216 0.000 0.942 309 T CA 0.298 62.472 62.100 0.123 0.000 0.997 309 T CB -0.305 68.616 68.868 0.088 0.000 0.917 309 T HN 0.900 nan 8.240 nan 0.000 0.487 310 Y N 1.423 121.751 120.300 0.046 0.000 2.442 310 Y HA 0.435 4.985 4.550 -0.000 0.000 0.330 310 Y C 0.112 176.037 175.900 0.041 0.000 1.100 310 Y CA -0.914 57.217 58.100 0.052 0.000 1.034 310 Y CB 1.932 40.424 38.460 0.053 0.000 1.285 310 Y HN 0.472 nan 8.280 nan 0.000 0.440 311 S N 2.696 118.033 115.700 -0.604 0.000 2.603 311 S HA 0.271 4.741 4.470 -0.000 0.000 0.232 311 S C 0.670 174.876 174.600 -0.657 0.000 1.016 311 S CA 0.192 58.105 58.200 -0.479 0.000 0.976 311 S CB 0.238 63.308 63.200 -0.217 0.000 0.921 311 S HN 0.984 nan 8.310 nan 0.000 0.516 312 G N 1.529 109.528 108.800 -1.335 0.000 2.525 312 G HA2 0.576 4.536 3.960 -0.000 0.000 0.276 312 G HA3 0.576 4.536 3.960 -0.000 0.000 0.276 312 G C 0.150 174.915 174.900 -0.224 0.000 1.388 312 G CA -0.090 44.620 45.100 -0.650 0.000 1.050 312 G HN 0.477 nan 8.290 nan 0.000 0.520 313 A N -1.061 121.788 122.820 0.049 0.000 2.366 313 A HA 0.454 4.774 4.320 -0.000 0.000 0.249 313 A C 0.429 178.172 177.584 0.264 0.000 1.084 313 A CA -0.220 51.888 52.037 0.118 0.000 0.794 313 A CB 0.155 19.204 19.000 0.082 0.000 1.034 313 A HN 0.645 nan 8.150 nan 0.000 0.491 314 E N 0.013 120.327 120.200 0.190 0.000 2.390 314 E HA 0.417 4.767 4.350 -0.000 0.000 0.261 314 E C -0.434 176.234 176.600 0.113 0.000 1.076 314 E CA 0.322 56.826 56.400 0.174 0.000 0.905 314 E CB 0.754 30.532 29.700 0.130 0.000 0.984 314 E HN 0.612 nan 8.360 nan 0.000 0.427 315 M N 1.356 121.000 119.600 0.074 0.000 2.534 315 M HA 0.221 4.701 4.480 -0.000 0.000 0.280 315 M C -1.889 174.396 176.300 -0.025 0.000 1.217 315 M CA -0.383 54.929 55.300 0.021 0.000 0.893 315 M CB 2.568 35.172 32.600 0.006 0.000 1.730 315 M HN 0.508 nan 8.290 nan 0.000 0.483 316 E N 2.861 123.008 120.200 -0.088 0.000 2.256 316 E HA 0.711 5.061 4.350 -0.000 0.000 0.268 316 E C -2.075 174.384 176.600 -0.236 0.000 0.877 316 E CA -0.565 55.685 56.400 -0.248 0.000 0.757 316 E CB 2.687 32.220 29.700 -0.279 0.000 1.183 316 E HN 0.704 nan 8.360 nan 0.000 0.418 317 I N 2.541 122.947 120.570 -0.274 0.000 2.752 317 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 317 I C -0.932 174.974 176.117 -0.351 0.000 1.219 317 I CA -0.528 60.601 61.300 -0.285 0.000 1.030 317 I CB 1.876 39.747 38.000 -0.214 0.000 1.259 317 I HN 0.624 nan 8.210 nan 0.000 0.423 318 G N 5.491 114.014 108.800 -0.462 0.000 2.388 318 G HA2 0.725 4.685 3.960 -0.000 0.000 0.330 318 G HA3 0.725 4.685 3.960 -0.000 0.000 0.330 318 G C -1.667 172.858 174.900 -0.626 0.000 1.142 318 G CA -0.239 44.640 45.100 -0.368 0.000 0.908 318 G HN 0.371 nan 8.290 nan 0.000 0.473 319 F N -0.263 119.694 119.950 0.011 0.000 2.643 319 F HA 0.407 4.934 4.527 0.000 0.000 0.314 319 F C 0.019 175.815 175.800 -0.005 0.000 1.096 319 F CA -1.324 56.689 58.000 0.021 0.000 0.953 319 F CB 2.179 41.185 39.000 0.009 0.000 1.345 319 F HN 0.368 nan 8.300 nan 0.000 0.468 320 N N 1.267 120.100 118.700 0.222 0.000 2.411 320 N HA 0.061 4.801 4.740 -0.000 0.000 0.259 320 N C 0.578 176.060 175.510 -0.047 0.000 1.103 320 N CA 0.262 53.293 53.050 -0.032 0.000 0.954 320 N CB 1.578 39.838 38.487 -0.379 0.000 1.085 320 N HN 0.611 nan 8.380 nan 0.000 0.485 321 V N 3.615 123.498 119.914 -0.053 0.000 2.667 321 V HA -0.133 3.987 4.120 -0.000 0.000 0.252 321 V C 1.776 177.799 176.094 -0.118 0.000 1.065 321 V CA 1.694 63.946 62.300 -0.079 0.000 1.083 321 V CB -0.345 31.486 31.823 0.012 0.000 0.692 321 V HN 0.724 nan 8.190 nan 0.000 0.468 322 S N -0.557 115.068 115.700 -0.126 0.000 2.399 322 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 322 S C 1.723 176.352 174.600 0.049 0.000 1.022 322 S CA 1.550 59.702 58.200 -0.079 0.000 0.983 322 S CB -0.360 62.772 63.200 -0.114 0.000 0.803 322 S HN 0.740 nan 8.310 nan 0.000 0.480 323 Y N 1.257 121.535 120.300 -0.036 0.000 2.220 323 Y HA 0.003 4.553 4.550 0.000 0.000 0.291 323 Y C 2.531 178.357 175.900 -0.123 0.000 1.129 323 Y CA -0.400 57.692 58.100 -0.013 0.000 1.161 323 Y CB -1.257 37.219 38.460 0.027 0.000 0.997 323 Y HN 0.046 nan 8.280 nan 0.000 0.522 324 V N -0.501 119.361 119.914 -0.086 0.000 2.295 324 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 324 V C 2.393 178.297 176.094 -0.317 0.000 1.049 324 V CA 1.120 63.212 62.300 -0.346 0.000 1.024 324 V CB -0.841 30.538 31.823 -0.740 0.000 0.648 324 V HN 0.230 nan 8.190 nan 0.000 0.447 325 L N 0.158 121.227 121.223 -0.257 0.000 2.012 325 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 325 L C 2.298 179.032 176.870 -0.226 0.000 1.073 325 L CA 1.987 56.712 54.840 -0.191 0.000 0.748 325 L CB -1.624 40.367 42.059 -0.113 0.000 0.891 325 L HN 0.358 nan 8.230 nan 0.000 0.431 326 D N -0.879 119.400 120.400 -0.202 0.000 2.158 326 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 326 D C 2.355 178.192 176.300 -0.772 0.000 0.995 326 D CA 1.046 54.813 54.000 -0.389 0.000 0.846 326 D CB -0.037 40.698 40.800 -0.108 0.000 0.941 326 D HN 0.164 nan 8.370 nan 0.000 0.456 327 V N 0.501 120.113 119.914 -0.504 0.000 2.407 327 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 327 V C 2.515 178.280 176.094 -0.549 0.000 1.041 327 V CA 0.856 62.784 62.300 -0.620 0.000 1.040 327 V CB -0.249 31.352 31.823 -0.371 0.000 0.671 327 V HN 0.194 nan 8.190 nan 0.000 0.455 328 L N 0.105 121.116 121.223 -0.352 0.000 2.141 328 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 328 L C 2.312 179.046 176.870 -0.226 0.000 1.094 328 L CA 1.082 55.783 54.840 -0.231 0.000 0.763 328 L CB -0.688 41.292 42.059 -0.131 0.000 0.908 328 L HN 0.355 nan 8.230 nan 0.000 0.437 329 N N 0.439 118.972 118.700 -0.277 0.000 2.309 329 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 329 N C 1.773 177.118 175.510 -0.274 0.000 1.018 329 N CA 1.368 54.272 53.050 -0.243 0.000 0.876 329 N CB -0.020 38.322 38.487 -0.240 0.000 0.972 329 N HN 0.301 nan 8.380 nan 0.000 0.434 330 A N 0.167 122.732 122.820 -0.424 0.000 2.072 330 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 330 A C 0.888 178.360 177.584 -0.186 0.000 1.156 330 A CA 0.088 51.917 52.037 -0.346 0.000 0.701 330 A CB -0.058 18.612 19.000 -0.549 0.000 0.816 330 A HN 0.147 nan 8.150 nan 0.000 0.458 331 L N 1.449 122.545 121.223 -0.212 0.000 2.283 331 L HA 0.182 4.522 4.340 -0.000 0.000 0.287 331 L C 0.286 177.120 176.870 -0.061 0.000 1.073 331 L CA -0.337 54.450 54.840 -0.088 0.000 0.822 331 L CB 0.844 42.851 42.059 -0.086 0.000 1.186 331 L HN 0.335 nan 8.230 nan 0.000 0.436 332 K N 3.447 123.831 120.400 -0.025 0.000 2.598 332 K HA 0.433 4.753 4.320 -0.000 0.000 0.226 332 K C -0.623 175.973 176.600 -0.007 0.000 1.156 332 K CA -0.563 55.711 56.287 -0.022 0.000 1.122 332 K CB 0.334 32.825 32.500 -0.015 0.000 1.739 332 K HN 0.575 nan 8.250 nan 0.000 0.472 333 C N -1.914 117.382 119.300 -0.008 0.000 3.171 333 C HA 0.391 4.851 4.460 -0.000 0.000 0.308 333 C C 1.446 176.437 174.990 0.002 0.000 1.334 333 C CA -0.825 58.195 59.018 0.002 0.000 1.473 333 C CB 1.809 29.556 27.740 0.011 0.000 1.866 333 C HN 0.800 nan 8.230 nan 0.000 0.465 334 E N 1.212 121.415 120.200 0.006 0.000 2.015 334 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 334 E C 0.127 176.733 176.600 0.010 0.000 0.991 334 E CA 1.233 57.637 56.400 0.007 0.000 0.802 334 E CB 0.107 29.812 29.700 0.008 0.000 0.759 334 E HN 0.783 nan 8.360 nan 0.000 0.447 335 N N -0.562 118.146 118.700 0.014 0.000 2.269 335 N HA 0.332 5.072 4.740 -0.000 0.000 0.304 335 N C -1.697 173.828 175.510 0.024 0.000 1.072 335 N CA -0.513 52.549 53.050 0.020 0.000 0.802 335 N CB 3.042 41.541 38.487 0.021 0.000 1.348 335 N HN -0.075 nan 8.380 nan 0.000 0.484 336 V N 1.552 121.485 119.914 0.030 0.000 2.667 336 V HA 0.531 4.651 4.120 -0.000 0.000 0.308 336 V C -0.752 175.371 176.094 0.048 0.000 1.048 336 V CA -0.714 61.608 62.300 0.037 0.000 0.928 336 V CB 1.571 33.413 31.823 0.031 0.000 1.004 336 V HN 0.671 nan 8.190 nan 0.000 0.444 337 R N 6.100 126.630 120.500 0.051 0.000 2.393 337 R HA 0.697 5.037 4.340 -0.000 0.000 0.310 337 R C -0.945 175.405 176.300 0.083 0.000 0.968 337 R CA -0.572 55.566 56.100 0.063 0.000 0.867 337 R CB 1.403 31.720 30.300 0.028 0.000 1.124 337 R HN 0.824 nan 8.270 nan 0.000 0.450 338 M N 4.944 124.609 119.600 0.108 0.000 2.436 338 M HA 0.423 4.903 4.480 -0.000 0.000 0.331 338 M C -0.880 175.530 176.300 0.183 0.000 1.135 338 M CA -0.723 54.643 55.300 0.110 0.000 0.987 338 M CB 2.468 35.112 32.600 0.073 0.000 1.687 338 M HN 0.436 nan 8.290 nan 0.000 0.445 339 M N 4.012 123.721 119.600 0.182 0.000 2.106 339 M HA 0.528 5.008 4.480 -0.000 0.000 0.288 339 M C -1.388 174.996 176.300 0.139 0.000 0.941 339 M CA -0.110 55.337 55.300 0.244 0.000 0.934 339 M CB 1.643 34.420 32.600 0.295 0.000 1.551 339 M HN 0.554 nan 8.290 nan 0.000 0.437 340 L N 1.026 122.306 121.223 0.096 0.000 2.313 340 L HA 0.740 5.080 4.340 -0.000 0.000 0.268 340 L C 0.548 177.449 176.870 0.052 0.000 1.010 340 L CA -0.311 54.579 54.840 0.084 0.000 0.814 340 L CB 2.264 44.368 42.059 0.074 0.000 1.304 340 L HN 0.655 nan 8.230 nan 0.000 0.441 341 T N -1.351 113.236 114.554 0.055 0.000 3.330 341 T HA 0.228 4.578 4.350 -0.000 0.000 0.240 341 T C -0.899 173.818 174.700 0.028 0.000 0.988 341 T CA 0.247 62.367 62.100 0.035 0.000 1.253 341 T CB 0.515 69.403 68.868 0.034 0.000 1.163 341 T HN 0.837 nan 8.240 nan 0.000 0.382 342 D N -0.414 120.000 120.400 0.023 0.000 2.779 342 D HA 0.240 4.880 4.640 -0.000 0.000 0.331 342 D C 0.762 177.051 176.300 -0.019 0.000 1.331 342 D CA 0.041 54.044 54.000 0.005 0.000 0.866 342 D CB 0.130 40.930 40.800 0.000 0.000 1.409 342 D HN 0.101 nan 8.370 nan 0.000 0.486 343 S N -1.141 114.533 115.700 -0.044 0.000 2.474 343 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 343 S C 1.585 176.123 174.600 -0.104 0.000 0.997 343 S CA 1.072 59.218 58.200 -0.091 0.000 0.949 343 S CB -0.763 62.381 63.200 -0.093 0.000 0.766 343 S HN 1.096 nan 8.310 nan 0.000 0.517 344 V N -2.138 117.739 119.914 -0.062 0.000 3.319 344 V HA 0.517 4.637 4.120 -0.000 0.000 0.317 344 V C 0.060 176.137 176.094 -0.029 0.000 1.411 344 V CA -0.494 61.773 62.300 -0.056 0.000 1.112 344 V CB -0.287 31.511 31.823 -0.041 0.000 1.031 344 V HN 0.295 nan 8.190 nan 0.000 0.448 345 S N 1.081 116.774 115.700 -0.013 0.000 2.638 345 S HA 0.707 5.177 4.470 -0.000 0.000 0.302 345 S C 0.289 174.931 174.600 0.069 0.000 1.096 345 S CA 0.004 58.218 58.200 0.024 0.000 0.953 345 S CB 1.924 65.142 63.200 0.029 0.000 1.107 345 S HN 0.791 nan 8.310 nan 0.000 0.503 346 S N 0.223 115.984 115.700 0.100 0.000 2.606 346 S HA 0.504 4.974 4.470 -0.000 0.000 0.257 346 S C -0.080 174.647 174.600 0.211 0.000 1.327 346 S CA -0.634 57.672 58.200 0.177 0.000 0.984 346 S CB 0.574 63.850 63.200 0.126 0.000 0.941 346 S HN 0.631 nan 8.310 nan 0.000 0.576 347 V N 0.634 120.697 119.914 0.249 0.000 2.628 347 V HA 0.500 4.620 4.120 -0.000 0.000 0.306 347 V C -0.717 175.429 176.094 0.086 0.000 1.045 347 V CA -0.764 61.632 62.300 0.161 0.000 0.905 347 V CB 1.659 33.559 31.823 0.129 0.000 0.997 347 V HN 1.020 nan 8.190 nan 0.000 0.436 348 Q N 5.287 125.142 119.800 0.091 0.000 2.271 348 Q HA 0.648 4.988 4.340 -0.000 0.000 0.258 348 Q C -1.411 174.644 176.000 0.090 0.000 0.936 348 Q CA -0.548 55.308 55.803 0.088 0.000 0.909 348 Q CB 1.545 30.339 28.738 0.094 0.000 1.253 348 Q HN 0.795 nan 8.270 nan 0.000 0.440 349 I N 3.701 124.337 120.570 0.110 0.000 2.498 349 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 349 I C -0.716 175.519 176.117 0.196 0.000 1.032 349 I CA -0.646 60.724 61.300 0.118 0.000 1.073 349 I CB 1.943 39.983 38.000 0.067 0.000 1.251 349 I HN 0.699 nan 8.210 nan 0.000 0.426 350 E N 3.149 123.433 120.200 0.140 0.000 2.433 350 E HA 0.282 4.632 4.350 -0.000 0.000 0.278 350 E C -1.604 175.055 176.600 0.098 0.000 0.976 350 E CA -1.055 55.435 56.400 0.150 0.000 0.793 350 E CB 1.675 31.423 29.700 0.080 0.000 1.311 350 E HN 0.377 nan 8.360 nan 0.000 0.460 351 D N 0.549 121.007 120.400 0.096 0.000 2.472 351 D HA 0.032 4.672 4.640 -0.000 0.000 0.248 351 D C 0.758 177.079 176.300 0.035 0.000 1.174 351 D CA 0.431 54.465 54.000 0.058 0.000 0.883 351 D CB 1.351 42.185 40.800 0.056 0.000 1.149 351 D HN 0.593 nan 8.370 nan 0.000 0.488 352 A N 3.852 126.688 122.820 0.026 0.000 2.076 352 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 352 A C 1.821 179.409 177.584 0.006 0.000 1.160 352 A CA 1.811 53.856 52.037 0.013 0.000 0.653 352 A CB -0.168 18.842 19.000 0.016 0.000 0.801 352 A HN 0.627 nan 8.150 nan 0.000 0.455 353 A N -1.949 120.878 122.820 0.011 0.000 2.390 353 A HA 0.533 4.853 4.320 -0.000 0.000 0.232 353 A C 0.805 178.393 177.584 0.007 0.000 1.233 353 A CA 0.769 52.810 52.037 0.007 0.000 0.907 353 A CB 0.023 19.029 19.000 0.009 0.000 0.967 353 A HN 0.526 nan 8.150 nan 0.000 0.512 354 S N -1.089 114.618 115.700 0.010 0.000 2.546 354 S HA 0.469 4.939 4.470 -0.000 0.000 0.272 354 S C -0.624 173.978 174.600 0.004 0.000 1.140 354 S CA -0.411 57.793 58.200 0.007 0.000 0.920 354 S CB 1.426 64.633 63.200 0.013 0.000 1.083 354 S HN 0.166 nan 8.310 nan 0.000 0.476 355 Q N 1.895 121.690 119.800 -0.008 0.000 2.247 355 Q HA 0.363 4.703 4.340 -0.000 0.000 0.204 355 Q C 1.426 177.405 176.000 -0.035 0.000 0.872 355 Q CA 0.116 55.909 55.803 -0.017 0.000 0.951 355 Q CB 0.447 29.175 28.738 -0.017 0.000 1.099 355 Q HN 0.587 nan 8.270 nan 0.000 0.501 356 S N 0.363 116.043 115.700 -0.033 0.000 2.382 356 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 356 S C 0.884 175.425 174.600 -0.098 0.000 1.027 356 S CA 0.923 59.091 58.200 -0.054 0.000 0.991 356 S CB 0.035 63.215 63.200 -0.034 0.000 0.823 356 S HN 0.479 nan 8.310 nan 0.000 0.469 357 A N 0.288 123.051 122.820 -0.096 0.000 2.355 357 A HA 0.846 5.166 4.320 -0.000 0.000 0.324 357 A C -0.506 176.918 177.584 -0.267 0.000 1.117 357 A CA -0.441 51.468 52.037 -0.212 0.000 0.785 357 A CB 1.381 20.297 19.000 -0.140 0.000 1.254 357 A HN 0.414 nan 8.150 nan 0.000 0.453 358 A N 0.819 123.360 122.820 -0.465 0.000 2.435 358 A HA 0.800 5.120 4.320 -0.000 0.000 0.304 358 A C -1.661 175.524 177.584 -0.665 0.000 1.064 358 A CA -0.421 51.404 52.037 -0.355 0.000 0.727 358 A CB 0.952 19.860 19.000 -0.152 0.000 1.284 358 A HN 0.820 nan 8.150 nan 0.000 0.415 359 Y N 0.187 120.496 120.300 0.015 0.000 2.425 359 Y HA 0.580 5.130 4.550 -0.000 0.000 0.344 359 Y C -0.198 175.705 175.900 0.005 0.000 0.969 359 Y CA -0.853 57.258 58.100 0.018 0.000 1.052 359 Y CB 2.431 40.928 38.460 0.062 0.000 1.215 359 Y HN 0.410 nan 8.280 nan 0.000 0.451 360 V N 4.075 124.056 119.914 0.111 0.000 2.588 360 V HA 0.613 4.733 4.120 -0.000 0.000 0.304 360 V C -0.894 175.230 176.094 0.050 0.000 1.042 360 V CA -0.864 61.478 62.300 0.070 0.000 0.877 360 V CB 1.899 33.752 31.823 0.050 0.000 0.996 360 V HN 0.540 nan 8.190 nan 0.000 0.425 361 V N 5.604 125.551 119.914 0.056 0.000 2.531 361 V HA 0.523 4.643 4.120 -0.000 0.000 0.301 361 V C -0.236 176.016 176.094 0.263 0.000 1.034 361 V CA -0.542 61.805 62.300 0.079 0.000 0.865 361 V CB 1.817 33.613 31.823 -0.045 0.000 0.995 361 V HN 0.839 nan 8.190 nan 0.000 0.424 362 M N 7.939 127.691 119.600 0.253 0.000 2.314 362 M HA 0.503 4.983 4.480 -0.000 0.000 0.342 362 M C -2.328 174.153 176.300 0.302 0.000 1.171 362 M CA -1.801 53.649 55.300 0.250 0.000 1.098 362 M CB 1.176 33.864 32.600 0.146 0.000 1.559 362 M HN 0.377 nan 8.290 nan 0.000 0.459 363 P HA 0.209 nan 4.420 nan 0.000 0.276 363 P C -1.205 176.026 177.300 -0.115 0.000 1.252 363 P CA -0.368 62.593 63.100 -0.232 0.000 0.802 363 P CB 0.710 32.219 31.700 -0.318 0.000 1.035 364 M N 1.382 120.857 119.600 -0.208 0.000 2.300 364 M HA 0.311 4.791 4.480 -0.000 0.000 0.348 364 M C 0.415 176.621 176.300 -0.156 0.000 1.151 364 M CA -0.634 54.596 55.300 -0.117 0.000 1.046 364 M CB 1.238 33.787 32.600 -0.086 0.000 1.647 364 M HN 0.203 nan 8.290 nan 0.000 0.451 365 R N 2.778 123.208 120.500 -0.115 0.000 2.298 365 R HA 0.408 4.748 4.340 -0.000 0.000 0.310 365 R C -0.820 175.409 176.300 -0.118 0.000 1.068 365 R CA -0.463 55.569 56.100 -0.113 0.000 0.957 365 R CB 0.586 30.832 30.300 -0.091 0.000 1.003 365 R HN 0.434 nan 8.270 nan 0.000 0.454 366 L N 0.000 121.158 121.223 -0.108 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 366 L CA 0.000 54.782 54.840 -0.096 0.000 0.813 366 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502