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 1g9u_1_A DATA FIRST_RESID 34 DATA SEQUENCE KSKTEYYNAW SEWERNAPPG NGEQREMAVS RLRDCLDRQA HELELNNLGL DATA SEQUENCE SSLPELPPHL ESLVASCNSL TELPELPQSL KSLLVDNNNL KALSDLPPLL DATA SEQUENCE EYLGVSNNQL EKLPELQNSS FLKIIDVDNN SLKKLPDLPP SLEFIAAGNN DATA SEQUENCE QLEELPELQN LPFLTAIYAD NNSLKKLPDL PLSLESIVAG NNILEELPEL DATA SEQUENCE QNLPFLTTIY ADNNLLKTLP DLPPSLEALN VRDNYLTDLP ELPQSLTFLD DATA SEQUENCE VSENIFSGLS ELPPNLYYLN ASSNEIRSLC DLPPSLEELN VSNNKLIELP DATA SEQUENCE ALPPRLERLI ASFNHLAEVP ELPQNLKQLH VEYNPLREFP DIPESVEDLR DATA SEQUENCE MNS 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.492 176.600 -0.180 0.000 0.988 34 K CA 0.000 56.134 56.287 -0.255 0.000 0.838 34 K CB 0.000 32.176 32.500 -0.540 0.000 1.064 35 S N 1.043 116.618 115.700 -0.209 0.000 2.693 35 S HA 0.267 4.736 4.470 -0.000 0.000 0.276 35 S C 1.202 175.706 174.600 -0.160 0.000 1.192 35 S CA -0.471 57.643 58.200 -0.142 0.000 0.994 35 S CB 2.078 65.192 63.200 -0.144 0.000 1.012 35 S HN 0.766 nan 8.310 nan 0.000 0.550 36 K N 0.645 120.935 120.400 -0.183 0.000 2.044 36 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 36 K C 1.937 178.165 176.600 -0.619 0.000 1.049 36 K CA 2.271 58.325 56.287 -0.389 0.000 0.927 36 K CB -1.054 31.169 32.500 -0.463 0.000 0.713 36 K HN 0.733 nan 8.250 nan 0.000 0.443 37 T N 1.155 115.449 114.554 -0.433 0.000 2.720 37 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 37 T C 1.377 175.946 174.700 -0.219 0.000 1.037 37 T CA 1.791 63.720 62.100 -0.284 0.000 1.144 37 T CB -0.214 68.564 68.868 -0.151 0.000 0.864 37 T HN 0.441 nan 8.240 nan 0.000 0.444 38 E N -0.106 119.930 120.200 -0.274 0.000 2.106 38 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 38 E C 1.926 178.246 176.600 -0.468 0.000 0.984 38 E CA 1.018 57.219 56.400 -0.331 0.000 0.806 38 E CB -0.291 29.178 29.700 -0.384 0.000 0.750 38 E HN 0.607 nan 8.360 nan 0.000 0.458 39 Y N 0.366 120.362 120.300 -0.507 0.000 2.114 39 Y HA -0.266 4.284 4.550 -0.001 0.000 0.284 39 Y C 2.269 177.616 175.900 -0.922 0.000 1.143 39 Y CA 1.563 59.085 58.100 -0.963 0.000 1.135 39 Y CB -0.430 37.347 38.460 -1.139 0.000 0.980 39 Y HN 0.106 nan 8.280 nan 0.000 0.499 40 Y N -0.036 120.031 120.300 -0.389 0.000 2.193 40 Y HA -0.354 4.196 4.550 -0.001 0.000 0.285 40 Y C 2.263 178.160 175.900 -0.004 0.000 1.166 40 Y CA 1.147 59.206 58.100 -0.068 0.000 1.181 40 Y CB -0.419 38.051 38.460 0.017 0.000 0.976 40 Y HN 0.331 nan 8.280 nan 0.000 0.520 41 N N -0.235 118.511 118.700 0.076 0.000 2.173 41 N HA -0.107 4.632 4.740 -0.000 0.000 0.184 41 N C 2.086 177.629 175.510 0.054 0.000 1.025 41 N CA 0.575 53.661 53.050 0.060 0.000 0.852 41 N CB -0.204 38.284 38.487 0.002 0.000 0.998 41 N HN 0.217 nan 8.380 nan 0.000 0.427 42 A N 1.311 124.093 122.820 -0.063 0.000 1.917 42 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 42 A C 1.577 179.316 177.584 0.258 0.000 1.182 42 A CA 1.219 53.256 52.037 -0.000 0.000 0.633 42 A CB -0.843 18.061 19.000 -0.160 0.000 0.819 42 A HN 0.443 nan 8.150 nan 0.000 0.448 43 W N 0.407 121.817 121.300 0.183 0.000 2.402 43 W HA -0.009 4.651 4.660 -0.001 0.000 0.286 43 W C 2.572 179.247 176.519 0.261 0.000 1.221 43 W CA 0.810 58.292 57.345 0.228 0.000 1.257 43 W CB -1.442 28.126 29.460 0.179 0.000 1.120 43 W HN 0.350 nan 8.180 nan 0.000 0.551 44 S N -0.007 115.917 115.700 0.373 0.000 2.387 44 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 44 S C 1.730 176.455 174.600 0.209 0.000 1.026 44 S CA 1.489 59.836 58.200 0.245 0.000 0.972 44 S CB -0.355 62.940 63.200 0.159 0.000 0.814 44 S HN 0.446 nan 8.310 nan 0.000 0.477 45 E N 0.765 121.087 120.200 0.204 0.000 2.033 45 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 45 E C 1.962 178.693 176.600 0.217 0.000 1.011 45 E CA 1.628 58.130 56.400 0.169 0.000 0.815 45 E CB -0.623 29.166 29.700 0.147 0.000 0.755 45 E HN 0.667 nan 8.360 nan 0.000 0.451 46 W N 2.389 123.758 121.300 0.115 0.000 2.338 46 W HA -0.191 4.469 4.660 -0.001 0.000 0.304 46 W C 2.247 178.806 176.519 0.068 0.000 1.212 46 W CA 2.310 59.714 57.345 0.098 0.000 1.264 46 W CB -0.291 29.253 29.460 0.141 0.000 1.142 46 W HN 0.293 nan 8.180 nan 0.000 0.512 47 E N 0.353 120.588 120.200 0.060 0.000 2.118 47 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 47 E C 2.055 178.529 176.600 -0.210 0.000 0.992 47 E CA 1.447 57.703 56.400 -0.241 0.000 0.804 47 E CB -0.259 29.452 29.700 0.018 0.000 0.741 47 E HN 0.354 nan 8.360 nan 0.000 0.458 48 R N 0.016 120.470 120.500 -0.076 0.000 2.276 48 R HA 0.030 4.370 4.340 -0.000 0.000 0.203 48 R C 1.398 177.641 176.300 -0.096 0.000 1.017 48 R CA 0.574 56.633 56.100 -0.068 0.000 1.010 48 R CB 0.016 30.308 30.300 -0.013 0.000 0.900 48 R HN 0.103 nan 8.270 nan 0.000 0.469 49 N N 0.865 119.483 118.700 -0.135 0.000 2.398 49 N HA 0.054 4.794 4.740 -0.000 0.000 0.188 49 N C -0.168 175.225 175.510 -0.195 0.000 1.122 49 N CA 0.165 53.141 53.050 -0.123 0.000 0.866 49 N CB 0.246 38.692 38.487 -0.067 0.000 0.970 49 N HN 0.129 nan 8.380 nan 0.000 0.462 50 A N 2.121 124.763 122.820 -0.295 0.000 2.598 50 A HA 0.081 4.401 4.320 -0.000 0.000 0.239 50 A C -2.057 175.433 177.584 -0.157 0.000 1.032 50 A CA -0.468 51.398 52.037 -0.286 0.000 0.760 50 A CB -0.404 18.429 19.000 -0.278 0.000 0.946 50 A HN 0.047 nan 8.150 nan 0.000 0.512 51 P HA 0.140 nan 4.420 nan 0.000 0.267 51 P C -1.909 175.348 177.300 -0.071 0.000 1.209 51 P CA -1.086 61.972 63.100 -0.071 0.000 0.763 51 P CB 0.254 31.924 31.700 -0.049 0.000 0.816 52 P HA -0.232 nan 4.420 nan 0.000 0.213 52 P C 1.569 178.839 177.300 -0.049 0.000 1.176 52 P CA 2.086 65.154 63.100 -0.053 0.000 0.919 52 P CB -0.398 31.279 31.700 -0.038 0.000 0.791 53 G N -1.139 107.638 108.800 -0.038 0.000 2.394 53 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.214 53 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.214 53 G C 1.436 176.314 174.900 -0.037 0.000 1.176 53 G CA 0.821 45.901 45.100 -0.033 0.000 0.786 53 G HN 0.200 nan 8.290 nan 0.000 0.533 54 N N 0.493 119.171 118.700 -0.037 0.000 2.499 54 N HA -0.218 4.522 4.740 -0.000 0.000 0.211 54 N C 1.775 177.264 175.510 -0.035 0.000 0.969 54 N CA 2.009 55.038 53.050 -0.036 0.000 0.969 54 N CB -0.434 38.027 38.487 -0.043 0.000 0.985 54 N HN 0.685 nan 8.380 nan 0.000 0.506 55 G N -1.382 107.394 108.800 -0.040 0.000 2.184 55 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.264 55 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.264 55 G C -0.279 174.597 174.900 -0.040 0.000 0.975 55 G CA 0.428 45.507 45.100 -0.035 0.000 0.642 55 G HN 0.561 nan 8.290 nan 0.000 0.536 56 E N 0.593 120.759 120.200 -0.057 0.000 2.417 56 E HA 0.189 4.539 4.350 -0.000 0.000 0.261 56 E C 0.477 177.029 176.600 -0.081 0.000 1.000 56 E CA 0.231 56.589 56.400 -0.070 0.000 0.919 56 E CB 0.290 29.919 29.700 -0.118 0.000 0.955 56 E HN 0.537 nan 8.360 nan 0.000 0.455 57 Q N 3.174 122.947 119.800 -0.046 0.000 3.207 57 Q HA 0.082 4.422 4.340 -0.000 0.000 0.335 57 Q C 0.822 176.801 176.000 -0.035 0.000 1.374 57 Q CA -0.157 55.623 55.803 -0.040 0.000 1.023 57 Q CB 0.303 29.032 28.738 -0.014 0.000 1.576 57 Q HN 0.348 nan 8.270 nan 0.000 0.515 58 R N 0.601 121.020 120.500 -0.135 0.000 2.096 58 R HA -0.216 4.124 4.340 -0.000 0.000 0.235 58 R C 1.905 178.199 176.300 -0.011 0.000 1.127 58 R CA 1.525 57.512 56.100 -0.189 0.000 0.968 58 R CB 0.057 29.971 30.300 -0.643 0.000 0.861 58 R HN 0.518 nan 8.270 nan 0.000 0.440 59 E N 1.047 121.226 120.200 -0.034 0.000 2.058 59 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 59 E C 1.769 178.378 176.600 0.015 0.000 0.997 59 E CA 1.573 57.974 56.400 0.001 0.000 0.801 59 E CB 0.005 29.696 29.700 -0.015 0.000 0.746 59 E HN 0.117 nan 8.360 nan 0.000 0.450 60 M N 0.962 120.565 119.600 0.005 0.000 2.108 60 M HA -0.089 4.390 4.480 -0.000 0.000 0.261 60 M C 2.350 178.654 176.300 0.007 0.000 1.066 60 M CA 1.966 57.267 55.300 -0.000 0.000 1.107 60 M CB -0.591 32.007 32.600 -0.005 0.000 1.356 60 M HN 0.271 nan 8.290 nan 0.000 0.406 61 A N -0.521 122.332 122.820 0.055 0.000 1.933 61 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 61 A C 2.405 179.988 177.584 -0.002 0.000 1.175 61 A CA 1.672 53.746 52.037 0.062 0.000 0.628 61 A CB -1.051 18.103 19.000 0.257 0.000 0.814 61 A HN 0.301 nan 8.150 nan 0.000 0.444 62 V N -0.473 119.496 119.914 0.091 0.000 2.515 62 V HA -0.163 3.957 4.120 -0.000 0.000 0.250 62 V C 2.720 178.793 176.094 -0.036 0.000 1.058 62 V CA 2.080 64.403 62.300 0.039 0.000 1.064 62 V CB -0.454 31.468 31.823 0.165 0.000 0.675 62 V HN 0.551 nan 8.190 nan 0.000 0.461 63 S N -0.534 115.148 115.700 -0.030 0.000 2.382 63 S HA -0.146 4.323 4.470 -0.000 0.000 0.228 63 S C 2.116 176.669 174.600 -0.078 0.000 1.027 63 S CA 1.294 59.464 58.200 -0.050 0.000 0.991 63 S CB -0.189 62.989 63.200 -0.036 0.000 0.823 63 S HN 0.554 nan 8.310 nan 0.000 0.469 64 R N 0.467 120.906 120.500 -0.103 0.000 2.090 64 R HA 0.069 4.409 4.340 -0.000 0.000 0.228 64 R C 2.181 178.365 176.300 -0.194 0.000 1.110 64 R CA 0.867 56.890 56.100 -0.127 0.000 0.973 64 R CB -0.504 29.722 30.300 -0.123 0.000 0.869 64 R HN 0.343 nan 8.270 nan 0.000 0.440 65 L N 0.530 121.556 121.223 -0.328 0.000 2.046 65 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 65 L C 2.631 179.391 176.870 -0.183 0.000 1.077 65 L CA 1.574 56.079 54.840 -0.557 0.000 0.747 65 L CB -0.366 40.843 42.059 -1.417 0.000 0.896 65 L HN 0.123 nan 8.230 nan 0.000 0.432 66 R N 0.020 120.497 120.500 -0.038 0.000 2.070 66 R HA -0.192 4.148 4.340 -0.000 0.000 0.233 66 R C 2.072 178.430 176.300 0.096 0.000 1.137 66 R CA 1.797 57.972 56.100 0.125 0.000 0.945 66 R CB -0.840 29.413 30.300 -0.078 0.000 0.845 66 R HN 0.531 nan 8.270 nan 0.000 0.430 67 D N 0.902 121.305 120.400 0.005 0.000 2.178 67 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 67 D C 1.942 178.237 176.300 -0.009 0.000 0.980 67 D CA 1.144 55.147 54.000 0.004 0.000 0.842 67 D CB -0.303 40.483 40.800 -0.023 0.000 0.948 67 D HN 0.228 nan 8.370 nan 0.000 0.472 68 C N 0.109 119.380 119.300 -0.049 0.000 2.429 68 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 68 C C 2.754 177.725 174.990 -0.030 0.000 1.262 68 C CA 0.689 59.655 59.018 -0.086 0.000 1.733 68 C CB -1.573 26.080 27.740 -0.145 0.000 2.010 68 C HN 0.433 nan 8.230 nan 0.000 0.483 69 L N 1.113 122.371 121.223 0.060 0.000 2.093 69 L HA 0.010 4.349 4.340 -0.000 0.000 0.208 69 L C 1.997 178.924 176.870 0.095 0.000 1.085 69 L CA 2.186 57.084 54.840 0.097 0.000 0.755 69 L CB -1.016 41.187 42.059 0.240 0.000 0.904 69 L HN 0.286 nan 8.230 nan 0.000 0.435 70 D N -0.659 119.822 120.400 0.134 0.000 2.224 70 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 70 D C 2.048 178.384 176.300 0.060 0.000 0.965 70 D CA 0.870 54.942 54.000 0.120 0.000 0.852 70 D CB 0.067 40.956 40.800 0.147 0.000 0.947 70 D HN 0.397 nan 8.370 nan 0.000 0.494 71 R N -0.061 120.455 120.500 0.027 0.000 2.312 71 R HA 0.090 4.429 4.340 -0.000 0.000 0.205 71 R C 0.168 176.466 176.300 -0.003 0.000 0.904 71 R CA -0.072 56.033 56.100 0.007 0.000 1.052 71 R CB 0.357 30.649 30.300 -0.013 0.000 1.014 71 R HN -0.122 nan 8.270 nan 0.000 0.503 72 Q N -0.030 119.767 119.800 -0.005 0.000 2.453 72 Q HA -0.153 4.187 4.340 -0.000 0.000 0.294 72 Q C -0.672 175.299 176.000 -0.049 0.000 1.295 72 Q CA 0.789 56.591 55.803 -0.002 0.000 0.853 72 Q CB -1.785 26.975 28.738 0.036 0.000 1.193 72 Q HN 0.497 nan 8.270 nan 0.000 0.461 73 A N 0.285 123.011 122.820 -0.156 0.000 2.475 73 A HA 0.172 4.491 4.320 -0.000 0.000 0.239 73 A C 1.334 178.724 177.584 -0.323 0.000 1.087 73 A CA 0.694 52.477 52.037 -0.424 0.000 0.779 73 A CB 0.040 18.660 19.000 -0.633 0.000 1.036 73 A HN 0.586 nan 8.150 nan 0.000 0.506 74 H N -0.169 118.892 119.070 -0.014 0.000 2.333 74 H HA 0.121 4.676 4.556 -0.001 0.000 0.302 74 H C 0.564 175.874 175.328 -0.030 0.000 1.075 74 H CA 1.255 57.291 56.048 -0.019 0.000 1.348 74 H CB 0.133 29.879 29.762 -0.027 0.000 1.393 74 H HN 0.741 nan 8.280 nan 0.000 0.509 75 E N 0.658 120.795 120.200 -0.106 0.000 2.272 75 E HA 0.398 4.748 4.350 -0.000 0.000 0.269 75 E C -1.797 174.723 176.600 -0.134 0.000 0.877 75 E CA -0.984 55.399 56.400 -0.029 0.000 0.755 75 E CB 2.334 32.113 29.700 0.132 0.000 1.192 75 E HN 0.107 nan 8.360 nan 0.000 0.422 76 L N 3.709 124.868 121.223 -0.106 0.000 2.298 76 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 76 L C -0.872 175.941 176.870 -0.096 0.000 1.013 76 L CA -0.148 54.616 54.840 -0.127 0.000 0.824 76 L CB 1.478 43.443 42.059 -0.157 0.000 1.221 76 L HN 0.585 nan 8.230 nan 0.000 0.418 77 E N 5.700 125.847 120.200 -0.089 0.000 2.035 77 E HA 0.282 4.632 4.350 -0.000 0.000 0.271 77 E C -0.793 175.763 176.600 -0.072 0.000 0.953 77 E CA -0.183 56.177 56.400 -0.067 0.000 0.777 77 E CB 0.618 30.289 29.700 -0.049 0.000 1.104 77 E HN 0.751 nan 8.360 nan 0.000 0.408 78 L N 4.933 126.116 121.223 -0.067 0.000 3.141 78 L HA 0.229 4.569 4.340 -0.000 0.000 0.263 78 L C 0.152 177.007 176.870 -0.026 0.000 1.312 78 L CA -0.530 54.277 54.840 -0.055 0.000 1.012 78 L CB -0.184 41.830 42.059 -0.075 0.000 1.408 78 L HN 0.333 nan 8.230 nan 0.000 0.559 79 N N 0.598 119.284 118.700 -0.024 0.000 2.518 79 N HA -0.028 4.712 4.740 -0.000 0.000 0.266 79 N C 0.158 175.665 175.510 -0.005 0.000 1.196 79 N CA -0.197 52.845 53.050 -0.012 0.000 0.947 79 N CB 0.724 39.202 38.487 -0.015 0.000 1.098 79 N HN 0.301 nan 8.380 nan 0.000 0.450 80 N N 0.176 118.878 118.700 0.002 0.000 2.738 80 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 80 N C -0.704 174.810 175.510 0.006 0.000 1.047 80 N CA 0.019 53.071 53.050 0.004 0.000 0.707 80 N CB -0.661 37.825 38.487 -0.002 0.000 0.937 80 N HN 0.578 nan 8.380 nan 0.000 0.545 81 L N -0.435 120.797 121.223 0.016 0.000 3.014 81 L HA 0.273 4.613 4.340 -0.000 0.000 0.263 81 L C 1.610 178.493 176.870 0.022 0.000 1.207 81 L CA 0.457 55.308 54.840 0.019 0.000 1.017 81 L CB 0.298 42.377 42.059 0.034 0.000 1.360 81 L HN 0.363 nan 8.230 nan 0.000 0.560 82 G N 1.256 110.068 108.800 0.020 0.000 2.233 82 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.270 82 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.270 82 G C 0.285 175.209 174.900 0.039 0.000 1.011 82 G CA 0.099 45.211 45.100 0.019 0.000 0.762 82 G HN 0.315 nan 8.290 nan 0.000 0.511 83 L N 0.593 121.863 121.223 0.078 0.000 2.410 83 L HA 0.328 4.668 4.340 -0.000 0.000 0.273 83 L C 1.725 178.667 176.870 0.120 0.000 1.152 83 L CA 0.219 55.145 54.840 0.143 0.000 0.855 83 L CB 1.045 43.275 42.059 0.284 0.000 1.129 83 L HN 0.262 nan 8.230 nan 0.000 0.463 84 S N -0.212 115.557 115.700 0.115 0.000 2.593 84 S HA 0.129 4.598 4.470 -0.000 0.000 0.217 84 S C 0.493 175.182 174.600 0.148 0.000 0.966 84 S CA 0.060 58.318 58.200 0.096 0.000 0.914 84 S CB -0.107 63.127 63.200 0.057 0.000 0.776 84 S HN 0.792 nan 8.310 nan 0.000 0.523 85 S N 0.069 115.923 115.700 0.257 0.000 2.615 85 S HA 0.662 5.132 4.470 -0.000 0.000 0.268 85 S C -1.681 173.107 174.600 0.313 0.000 1.146 85 S CA -1.177 57.187 58.200 0.274 0.000 0.818 85 S CB 0.477 63.853 63.200 0.293 0.000 1.111 85 S HN 0.225 nan 8.310 nan 0.000 0.465 86 L N 1.573 122.799 121.223 0.004 0.000 2.354 86 L HA 0.685 5.025 4.340 -0.000 0.000 0.269 86 L C -2.159 174.365 176.870 -0.578 0.000 1.005 86 L CA -2.240 52.358 54.840 -0.403 0.000 0.819 86 L CB 2.325 44.226 42.059 -0.263 0.000 1.311 86 L HN 0.612 nan 8.230 nan 0.000 0.423 87 P HA 0.184 nan 4.420 nan 0.000 0.307 87 P C -0.896 176.362 177.300 -0.069 0.000 1.306 87 P CA -0.561 62.279 63.100 -0.432 0.000 0.742 87 P CB 0.448 31.925 31.700 -0.371 0.000 1.349 88 E N -0.623 119.694 120.200 0.195 0.000 2.414 88 E HA 0.180 4.529 4.350 -0.000 0.000 0.263 88 E C -0.277 176.545 176.600 0.370 0.000 1.000 88 E CA 0.068 56.617 56.400 0.249 0.000 0.914 88 E CB -0.243 29.626 29.700 0.281 0.000 0.948 88 E HN 0.229 nan 8.360 nan 0.000 0.444 89 L N 4.460 125.792 121.223 0.182 0.000 2.421 89 L HA 0.374 4.714 4.340 -0.000 0.000 0.263 89 L C -2.024 174.882 176.870 0.059 0.000 1.122 89 L CA -2.389 52.504 54.840 0.089 0.000 0.804 89 L CB 0.337 42.379 42.059 -0.028 0.000 1.150 89 L HN 0.340 nan 8.230 nan 0.000 0.457 90 P HA 0.090 nan 4.420 nan 0.000 0.264 90 P C -2.478 174.680 177.300 -0.238 0.000 1.193 90 P CA -0.731 62.215 63.100 -0.256 0.000 0.763 90 P CB -0.157 31.454 31.700 -0.149 0.000 0.810 91 P HA 0.090 nan 4.420 nan 0.000 0.272 91 P C -0.323 176.705 177.300 -0.453 0.000 1.240 91 P CA -0.063 62.806 63.100 -0.385 0.000 0.791 91 P CB -0.089 31.312 31.700 -0.497 0.000 0.978 92 H N -3.192 115.867 119.070 -0.017 0.000 2.921 92 H HA -0.183 4.373 4.556 -0.001 0.000 0.281 92 H C 0.293 175.603 175.328 -0.029 0.000 1.165 92 H CA -0.199 55.837 56.048 -0.021 0.000 1.151 92 H CB -2.437 27.313 29.762 -0.019 0.000 1.311 92 H HN 0.178 nan 8.280 nan 0.000 0.361 93 L N -1.054 120.178 121.223 0.014 0.000 2.456 93 L HA 0.464 4.804 4.340 -0.000 0.000 0.257 93 L C 1.181 178.061 176.870 0.017 0.000 1.162 93 L CA -0.453 54.388 54.840 0.002 0.000 0.808 93 L CB 0.659 42.688 42.059 -0.049 0.000 1.136 93 L HN 0.174 nan 8.230 nan 0.000 0.466 94 E N -0.304 119.908 120.200 0.020 0.000 2.330 94 E HA 0.132 4.482 4.350 -0.000 0.000 0.200 94 E C -0.056 176.548 176.600 0.007 0.000 0.922 94 E CA 0.333 56.742 56.400 0.015 0.000 0.935 94 E CB 0.582 30.295 29.700 0.022 0.000 0.917 94 E HN 0.761 nan 8.360 nan 0.000 0.491 95 S N 0.170 115.874 115.700 0.006 0.000 2.557 95 S HA 0.497 4.967 4.470 -0.000 0.000 0.291 95 S C -1.661 172.927 174.600 -0.021 0.000 1.116 95 S CA -0.841 57.356 58.200 -0.005 0.000 0.992 95 S CB 1.042 64.237 63.200 -0.007 0.000 1.028 95 S HN 0.111 nan 8.310 nan 0.000 0.484 96 L N 6.145 127.356 121.223 -0.020 0.000 2.298 96 L HA 0.692 5.032 4.340 -0.000 0.000 0.284 96 L C -1.274 175.581 176.870 -0.026 0.000 1.013 96 L CA -0.336 54.482 54.840 -0.035 0.000 0.824 96 L CB 1.448 43.486 42.059 -0.035 0.000 1.221 96 L HN 0.487 nan 8.230 nan 0.000 0.418 97 V N 5.772 125.663 119.914 -0.038 0.000 2.277 97 V HA 0.645 4.764 4.120 -0.000 0.000 0.269 97 V C 0.643 176.717 176.094 -0.034 0.000 1.036 97 V CA 0.134 62.416 62.300 -0.031 0.000 0.821 97 V CB 0.752 32.552 31.823 -0.038 0.000 1.052 97 V HN 0.915 nan 8.190 nan 0.000 0.462 98 A N 3.327 126.134 122.820 -0.021 0.000 2.812 98 A HA 0.572 4.891 4.320 -0.000 0.000 0.294 98 A C 0.640 178.223 177.584 -0.002 0.000 1.014 98 A CA -0.238 51.787 52.037 -0.020 0.000 1.024 98 A CB 0.198 19.180 19.000 -0.030 0.000 1.162 98 A HN 0.726 nan 8.150 nan 0.000 0.511 99 S N -1.670 114.030 115.700 0.001 0.000 2.632 99 S HA 0.462 4.931 4.470 -0.000 0.000 0.271 99 S C 0.575 175.180 174.600 0.008 0.000 1.260 99 S CA 0.024 58.230 58.200 0.010 0.000 1.010 99 S CB 0.529 63.737 63.200 0.014 0.000 0.965 99 S HN 1.136 nan 8.310 nan 0.000 0.534 100 C N 2.068 121.375 119.300 0.011 0.000 4.388 100 C HA -0.089 4.370 4.460 -0.000 0.000 0.310 100 C C 0.576 175.575 174.990 0.014 0.000 1.261 100 C CA 0.013 59.038 59.018 0.010 0.000 2.114 100 C CB -3.242 24.501 27.740 0.006 0.000 1.281 100 C HN 0.932 nan 8.230 nan 0.000 0.706 101 N N -0.540 118.172 118.700 0.020 0.000 3.550 101 N HA 0.542 5.282 4.740 -0.000 0.000 0.357 101 N C 0.216 175.743 175.510 0.029 0.000 1.585 101 N CA -0.409 52.659 53.050 0.029 0.000 0.651 101 N CB 1.133 39.644 38.487 0.040 0.000 2.273 101 N HN 0.207 nan 8.380 nan 0.000 0.631 102 S N 0.351 116.074 115.700 0.038 0.000 2.901 102 S HA 0.403 4.873 4.470 -0.000 0.000 0.248 102 S C -0.341 174.284 174.600 0.041 0.000 1.021 102 S CA -0.353 57.867 58.200 0.034 0.000 1.090 102 S CB 0.002 63.221 63.200 0.032 0.000 1.039 102 S HN 0.222 nan 8.310 nan 0.000 0.514 103 L N 1.876 123.124 121.223 0.042 0.000 2.380 103 L HA 0.309 4.649 4.340 -0.000 0.000 0.273 103 L C 1.670 178.561 176.870 0.035 0.000 1.138 103 L CA -0.147 54.720 54.840 0.044 0.000 0.832 103 L CB 0.548 42.630 42.059 0.038 0.000 1.124 103 L HN 0.311 nan 8.230 nan 0.000 0.454 104 T N -2.160 112.416 114.554 0.037 0.000 2.990 104 T HA 0.266 4.615 4.350 -0.000 0.000 0.250 104 T C 0.498 175.215 174.700 0.029 0.000 1.041 104 T CA -0.123 61.995 62.100 0.030 0.000 1.010 104 T CB 0.384 69.270 68.868 0.030 0.000 1.003 104 T HN 0.581 nan 8.240 nan 0.000 0.499 105 E N 0.017 120.237 120.200 0.033 0.000 2.393 105 E HA 0.664 5.013 4.350 -0.000 0.000 0.273 105 E C -1.594 175.022 176.600 0.026 0.000 0.918 105 E CA -0.841 55.577 56.400 0.029 0.000 0.773 105 E CB 2.567 32.287 29.700 0.033 0.000 1.275 105 E HN 0.148 nan 8.360 nan 0.000 0.451 106 L N 2.336 123.571 121.223 0.019 0.000 2.330 106 L HA 0.569 4.909 4.340 -0.000 0.000 0.271 106 L C -1.981 174.893 176.870 0.007 0.000 1.013 106 L CA -1.737 53.109 54.840 0.010 0.000 0.816 106 L CB 1.361 43.425 42.059 0.008 0.000 1.287 106 L HN 0.432 nan 8.230 nan 0.000 0.435 107 P HA 0.186 nan 4.420 nan 0.000 0.279 107 P C -0.980 176.322 177.300 0.005 0.000 1.276 107 P CA -0.676 62.423 63.100 -0.003 0.000 0.801 107 P CB 0.630 32.315 31.700 -0.024 0.000 1.127 108 E N 0.150 120.358 120.200 0.013 0.000 2.442 108 E HA 0.094 4.444 4.350 -0.000 0.000 0.262 108 E C -0.217 176.391 176.600 0.013 0.000 1.004 108 E CA 0.218 56.628 56.400 0.016 0.000 0.928 108 E CB 0.268 29.980 29.700 0.020 0.000 0.937 108 E HN 0.330 nan 8.360 nan 0.000 0.446 109 L N 3.908 125.138 121.223 0.012 0.000 2.325 109 L HA 0.343 4.683 4.340 -0.000 0.000 0.278 109 L C -2.128 174.747 176.870 0.009 0.000 1.023 109 L CA -2.252 52.592 54.840 0.007 0.000 0.811 109 L CB 1.124 43.187 42.059 0.008 0.000 1.249 109 L HN 0.223 nan 8.230 nan 0.000 0.431 110 P HA -0.019 nan 4.420 nan 0.000 0.264 110 P C 0.042 177.349 177.300 0.011 0.000 1.183 110 P CA -0.071 63.032 63.100 0.005 0.000 0.763 110 P CB 0.450 32.147 31.700 -0.005 0.000 0.807 111 Q N 1.182 120.992 119.800 0.017 0.000 2.541 111 Q HA -0.078 4.262 4.340 -0.000 0.000 0.215 111 Q C 1.317 177.318 176.000 0.002 0.000 0.977 111 Q CA 1.215 57.026 55.803 0.013 0.000 0.934 111 Q CB -0.161 28.589 28.738 0.019 0.000 0.988 111 Q HN 0.578 nan 8.270 nan 0.000 0.521 112 S N -0.508 115.200 115.700 0.013 0.000 2.528 112 S HA 0.025 4.494 4.470 -0.000 0.000 0.219 112 S C 0.796 175.389 174.600 -0.012 0.000 0.985 112 S CA -0.318 57.885 58.200 0.006 0.000 0.914 112 S CB -0.067 63.165 63.200 0.053 0.000 0.776 112 S HN 0.167 nan 8.310 nan 0.000 0.526 113 L N 2.327 123.547 121.223 -0.005 0.000 2.534 113 L HA 0.225 4.564 4.340 -0.000 0.000 0.271 113 L C 0.960 177.823 176.870 -0.011 0.000 1.178 113 L CA 0.653 55.491 54.840 -0.003 0.000 0.907 113 L CB 0.539 42.601 42.059 0.006 0.000 1.164 113 L HN 0.069 nan 8.230 nan 0.000 0.482 114 K N 1.312 121.708 120.400 -0.007 0.000 2.399 114 K HA 0.192 4.512 4.320 -0.000 0.000 0.196 114 K C -0.060 176.567 176.600 0.045 0.000 1.103 114 K CA 0.187 56.472 56.287 -0.003 0.000 0.986 114 K CB 0.701 33.182 32.500 -0.030 0.000 0.952 114 K HN 0.571 nan 8.250 nan 0.000 0.541 115 S N 0.892 116.619 115.700 0.045 0.000 2.614 115 S HA 0.504 4.974 4.470 -0.000 0.000 0.288 115 S C -1.787 172.863 174.600 0.083 0.000 1.137 115 S CA -0.851 57.400 58.200 0.086 0.000 0.992 115 S CB 1.082 64.288 63.200 0.011 0.000 1.026 115 S HN 0.072 nan 8.310 nan 0.000 0.486 116 L N 5.180 126.490 121.223 0.146 0.000 2.377 116 L HA 0.677 5.017 4.340 -0.000 0.000 0.270 116 L C -1.845 175.115 176.870 0.151 0.000 0.991 116 L CA -0.393 54.508 54.840 0.103 0.000 0.851 116 L CB 1.205 43.306 42.059 0.070 0.000 1.218 116 L HN 0.739 nan 8.230 nan 0.000 0.420 117 L N 6.168 127.458 121.223 0.111 0.000 2.335 117 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 117 L C 0.256 177.161 176.870 0.057 0.000 1.037 117 L CA -0.144 54.764 54.840 0.114 0.000 0.895 117 L CB 1.406 43.508 42.059 0.071 0.000 1.266 117 L HN 0.549 nan 8.230 nan 0.000 0.439 118 V N -1.508 118.438 119.914 0.053 0.000 2.838 118 V HA 0.294 4.414 4.120 -0.000 0.000 0.363 118 V C 0.177 176.289 176.094 0.030 0.000 1.324 118 V CA -0.766 61.553 62.300 0.031 0.000 1.220 118 V CB -0.195 31.642 31.823 0.023 0.000 1.328 118 V HN 0.570 nan 8.190 nan 0.000 0.595 119 D N 0.255 120.677 120.400 0.037 0.000 2.368 119 D HA 0.005 4.645 4.640 -0.000 0.000 0.240 119 D C 0.211 176.524 176.300 0.021 0.000 1.169 119 D CA 0.015 54.032 54.000 0.029 0.000 0.906 119 D CB 0.264 41.084 40.800 0.034 0.000 1.187 119 D HN 0.287 nan 8.370 nan 0.000 0.435 120 N N 1.024 119.734 118.700 0.017 0.000 2.726 120 N HA -0.140 4.600 4.740 -0.000 0.000 0.253 120 N C -0.908 174.611 175.510 0.016 0.000 1.059 120 N CA 0.493 53.551 53.050 0.014 0.000 0.701 120 N CB -0.933 37.561 38.487 0.012 0.000 0.899 120 N HN 0.550 nan 8.380 nan 0.000 0.548 121 N N 0.095 118.805 118.700 0.017 0.000 3.283 121 N HA 0.314 5.053 4.740 -0.000 0.000 0.338 121 N C -0.062 175.459 175.510 0.018 0.000 1.517 121 N CA -0.509 52.553 53.050 0.019 0.000 0.733 121 N CB 0.455 38.954 38.487 0.021 0.000 1.797 121 N HN 0.163 nan 8.380 nan 0.000 0.637 122 N N -0.017 118.695 118.700 0.020 0.000 2.401 122 N HA 0.313 5.052 4.740 -0.000 0.000 0.264 122 N C -0.628 174.893 175.510 0.019 0.000 1.238 122 N CA -0.094 52.967 53.050 0.019 0.000 0.889 122 N CB 0.712 39.211 38.487 0.019 0.000 1.196 122 N HN 0.208 nan 8.380 nan 0.000 0.511 123 L N 0.922 122.157 121.223 0.019 0.000 2.453 123 L HA 0.077 4.416 4.340 -0.000 0.000 0.272 123 L C 1.413 178.293 176.870 0.016 0.000 1.182 123 L CA 0.398 55.249 54.840 0.018 0.000 0.858 123 L CB 0.815 42.885 42.059 0.018 0.000 1.120 123 L HN 0.179 nan 8.230 nan 0.000 0.474 124 K N 1.839 122.249 120.400 0.016 0.000 2.355 124 K HA 0.362 4.682 4.320 -0.000 0.000 0.198 124 K C -0.133 176.475 176.600 0.013 0.000 1.039 124 K CA 0.051 56.346 56.287 0.014 0.000 1.075 124 K CB 0.748 33.257 32.500 0.014 0.000 0.870 124 K HN 0.752 nan 8.250 nan 0.000 0.540 125 A N 0.636 123.464 122.820 0.014 0.000 2.604 125 A HA 0.496 4.816 4.320 -0.000 0.000 0.295 125 A C -1.786 175.807 177.584 0.015 0.000 1.067 125 A CA -0.733 51.312 52.037 0.014 0.000 0.683 125 A CB 1.060 20.068 19.000 0.013 0.000 1.281 125 A HN 0.080 nan 8.150 nan 0.000 0.407 126 L N 1.295 122.527 121.223 0.015 0.000 2.325 126 L HA 0.556 4.895 4.340 -0.000 0.000 0.278 126 L C 0.679 177.559 176.870 0.017 0.000 1.023 126 L CA -0.474 54.376 54.840 0.016 0.000 0.811 126 L CB 1.997 44.065 42.059 0.016 0.000 1.249 126 L HN 0.824 nan 8.230 nan 0.000 0.431 127 S N 0.937 116.647 115.700 0.018 0.000 2.686 127 S HA 0.181 4.651 4.470 -0.000 0.000 0.270 127 S C -0.459 174.153 174.600 0.021 0.000 1.194 127 S CA -0.768 57.444 58.200 0.018 0.000 0.990 127 S CB 0.746 63.957 63.200 0.018 0.000 1.029 127 S HN 0.536 nan 8.310 nan 0.000 0.560 128 D N 0.775 121.188 120.400 0.022 0.000 2.474 128 D HA 0.131 4.771 4.640 -0.000 0.000 0.232 128 D C -0.158 176.160 176.300 0.029 0.000 1.177 128 D CA 0.764 54.779 54.000 0.026 0.000 0.876 128 D CB 0.262 41.077 40.800 0.027 0.000 1.208 128 D HN 0.218 nan 8.370 nan 0.000 0.464 129 L N 1.560 122.804 121.223 0.035 0.000 2.299 129 L HA 0.427 4.767 4.340 -0.000 0.000 0.268 129 L C -2.054 174.839 176.870 0.039 0.000 1.012 129 L CA -1.840 53.022 54.840 0.036 0.000 0.816 129 L CB 0.572 42.655 42.059 0.040 0.000 1.355 129 L HN 0.212 nan 8.230 nan 0.000 0.457 130 P HA 0.041 nan 4.420 nan 0.000 0.269 130 P C -2.323 175.001 177.300 0.041 0.000 1.211 130 P CA -0.815 62.302 63.100 0.028 0.000 0.781 130 P CB -0.200 31.509 31.700 0.016 0.000 0.877 131 P HA 0.117 nan 4.420 nan 0.000 0.245 131 P C 0.778 178.133 177.300 0.091 0.000 1.203 131 P CA 0.812 63.965 63.100 0.087 0.000 0.792 131 P CB 0.212 31.963 31.700 0.085 0.000 0.997 132 L N -1.208 119.970 121.223 -0.076 0.000 2.653 132 L HA 0.172 4.512 4.340 -0.000 0.000 0.231 132 L C 0.649 177.452 176.870 -0.112 0.000 1.153 132 L CA -0.611 54.040 54.840 -0.315 0.000 0.933 132 L CB -0.329 41.541 42.059 -0.315 0.000 1.175 132 L HN -0.019 nan 8.230 nan 0.000 0.473 133 L N 0.944 122.187 121.223 0.033 0.000 2.499 133 L HA -0.014 4.326 4.340 -0.000 0.000 0.273 133 L C 1.268 178.214 176.870 0.126 0.000 1.195 133 L CA 0.934 55.815 54.840 0.069 0.000 0.882 133 L CB 0.397 42.502 42.059 0.077 0.000 1.133 133 L HN 0.177 nan 8.230 nan 0.000 0.483 134 E N 3.787 124.057 120.200 0.117 0.000 2.330 134 E HA -0.017 4.332 4.350 -0.000 0.000 0.200 134 E C -0.665 176.035 176.600 0.167 0.000 0.922 134 E CA 0.234 56.723 56.400 0.148 0.000 0.935 134 E CB 0.452 30.223 29.700 0.118 0.000 0.917 134 E HN 0.540 nan 8.360 nan 0.000 0.491 135 Y N 1.405 121.726 120.300 0.036 0.000 2.326 135 Y HA 0.388 4.937 4.550 -0.000 0.000 0.329 135 Y C -1.442 174.475 175.900 0.029 0.000 0.973 135 Y CA -1.275 56.841 58.100 0.027 0.000 1.162 135 Y CB 1.235 39.695 38.460 0.001 0.000 1.147 135 Y HN -0.074 nan 8.280 nan 0.000 0.456 136 L N 6.379 127.463 121.223 -0.232 0.000 2.319 136 L HA 0.780 5.119 4.340 -0.000 0.000 0.281 136 L C -0.461 176.245 176.870 -0.274 0.000 1.005 136 L CA -0.302 54.461 54.840 -0.128 0.000 0.828 136 L CB 1.339 43.360 42.059 -0.062 0.000 1.227 136 L HN 0.746 nan 8.230 nan 0.000 0.415 137 G N 4.285 113.045 108.800 -0.067 0.000 2.588 137 G HA2 0.545 4.504 3.960 -0.000 0.000 0.312 137 G HA3 0.545 4.504 3.960 -0.000 0.000 0.312 137 G C -0.516 174.403 174.900 0.032 0.000 1.257 137 G CA -0.138 44.959 45.100 -0.005 0.000 0.994 137 G HN 0.874 nan 8.290 nan 0.000 0.498 138 V N 0.352 120.269 119.914 0.005 0.000 2.792 138 V HA 0.411 4.531 4.120 -0.000 0.000 0.360 138 V C 0.546 176.646 176.094 0.011 0.000 1.306 138 V CA -0.260 62.048 62.300 0.014 0.000 1.245 138 V CB -0.588 31.241 31.823 0.010 0.000 1.382 138 V HN 0.699 nan 8.190 nan 0.000 0.636 139 S N 0.239 115.947 115.700 0.012 0.000 2.632 139 S HA 0.439 4.908 4.470 -0.000 0.000 0.267 139 S C 0.540 175.146 174.600 0.011 0.000 1.276 139 S CA 0.086 58.291 58.200 0.009 0.000 0.998 139 S CB 0.417 63.621 63.200 0.006 0.000 0.953 139 S HN 0.774 nan 8.310 nan 0.000 0.547 140 N N 1.644 120.349 118.700 0.008 0.000 2.708 140 N HA -0.146 4.594 4.740 -0.000 0.000 0.255 140 N C -0.871 174.646 175.510 0.011 0.000 1.046 140 N CA 0.710 53.766 53.050 0.009 0.000 0.715 140 N CB -1.717 36.775 38.487 0.009 0.000 0.895 140 N HN 0.738 nan 8.380 nan 0.000 0.545 141 N N 0.213 118.920 118.700 0.011 0.000 3.343 141 N HA 0.288 5.028 4.740 -0.000 0.000 0.330 141 N C -0.189 175.328 175.510 0.011 0.000 1.560 141 N CA -0.442 52.615 53.050 0.012 0.000 0.752 141 N CB 0.767 39.262 38.487 0.013 0.000 1.863 141 N HN 0.156 nan 8.380 nan 0.000 0.636 142 Q N 0.927 120.734 119.800 0.012 0.000 2.233 142 Q HA 0.423 4.763 4.340 -0.000 0.000 0.340 142 Q C -0.494 175.512 176.000 0.010 0.000 0.899 142 Q CA -0.154 55.655 55.803 0.011 0.000 1.139 142 Q CB 0.411 29.156 28.738 0.011 0.000 1.273 142 Q HN 0.297 nan 8.270 nan 0.000 0.431 143 L N 1.255 122.484 121.223 0.010 0.000 2.499 143 L HA -0.011 4.329 4.340 -0.000 0.000 0.273 143 L C 0.999 177.874 176.870 0.009 0.000 1.195 143 L CA 0.690 55.535 54.840 0.010 0.000 0.882 143 L CB 0.570 42.634 42.059 0.009 0.000 1.133 143 L HN 0.415 nan 8.230 nan 0.000 0.483 144 E N 1.675 121.880 120.200 0.009 0.000 2.434 144 E HA 0.144 4.493 4.350 -0.000 0.000 0.207 144 E C -0.377 176.227 176.600 0.007 0.000 0.929 144 E CA 0.158 56.563 56.400 0.008 0.000 1.001 144 E CB 0.803 30.508 29.700 0.008 0.000 1.016 144 E HN 0.390 nan 8.360 nan 0.000 0.502 145 K N 0.295 120.700 120.400 0.008 0.000 2.562 145 K HA 0.448 4.768 4.320 -0.000 0.000 0.267 145 K C -1.635 174.971 176.600 0.009 0.000 0.938 145 K CA -0.275 56.016 56.287 0.008 0.000 0.840 145 K CB 2.092 34.597 32.500 0.008 0.000 1.390 145 K HN -0.146 nan 8.250 nan 0.000 0.428 146 L N 2.738 123.966 121.223 0.009 0.000 2.304 146 L HA 0.690 5.030 4.340 -0.000 0.000 0.268 146 L C -1.817 175.060 176.870 0.012 0.000 1.010 146 L CA -1.939 52.907 54.840 0.010 0.000 0.813 146 L CB 1.095 43.159 42.059 0.008 0.000 1.315 146 L HN 0.589 nan 8.230 nan 0.000 0.445 147 P HA 0.037 nan 4.420 nan 0.000 0.286 147 P C -0.763 176.546 177.300 0.016 0.000 1.293 147 P CA -0.449 62.661 63.100 0.016 0.000 0.770 147 P CB 0.454 32.166 31.700 0.020 0.000 1.206 148 E N 0.447 120.657 120.200 0.017 0.000 1.775 148 E HA 0.051 4.401 4.350 -0.000 0.000 0.266 148 E C 1.233 177.845 176.600 0.020 0.000 1.191 148 E CA -0.065 56.345 56.400 0.016 0.000 1.048 148 E CB -0.446 29.263 29.700 0.016 0.000 1.081 148 E HN 0.338 nan 8.360 nan 0.000 0.434 149 L N 1.894 123.128 121.223 0.019 0.000 2.127 149 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 149 L C 2.542 179.426 176.870 0.023 0.000 1.089 149 L CA 1.204 56.058 54.840 0.023 0.000 0.757 149 L CB -0.418 41.652 42.059 0.018 0.000 0.899 149 L HN 0.453 nan 8.230 nan 0.000 0.434 150 Q N -0.521 119.289 119.800 0.017 0.000 2.515 150 Q HA -0.122 4.218 4.340 -0.000 0.000 0.212 150 Q C 0.709 176.716 176.000 0.011 0.000 0.970 150 Q CA 0.867 56.678 55.803 0.013 0.000 0.941 150 Q CB -0.255 28.488 28.738 0.009 0.000 0.998 150 Q HN 0.488 nan 8.270 nan 0.000 0.518 151 N N 0.470 119.181 118.700 0.019 0.000 2.373 151 N HA 0.024 4.764 4.740 -0.000 0.000 0.181 151 N C -0.332 175.199 175.510 0.036 0.000 1.082 151 N CA 0.213 53.277 53.050 0.022 0.000 0.885 151 N CB 0.734 39.237 38.487 0.027 0.000 0.977 151 N HN 0.023 nan 8.380 nan 0.000 0.462 152 S N 0.273 115.999 115.700 0.045 0.000 2.464 152 S HA 0.222 4.691 4.470 -0.000 0.000 0.313 152 S C 0.772 175.401 174.600 0.047 0.000 1.078 152 S CA -0.466 57.784 58.200 0.084 0.000 1.096 152 S CB 0.081 63.340 63.200 0.097 0.000 1.032 152 S HN 0.088 nan 8.310 nan 0.000 0.498 153 S N 3.510 119.192 115.700 -0.029 0.000 2.584 153 S HA 0.014 4.484 4.470 -0.000 0.000 0.240 153 S C 0.210 174.477 174.600 -0.555 0.000 0.975 153 S CA 0.808 58.813 58.200 -0.325 0.000 0.949 153 S CB -0.198 62.697 63.200 -0.509 0.000 0.761 153 S HN 0.796 nan 8.310 nan 0.000 0.536 154 F N -0.318 119.646 119.950 0.024 0.000 2.825 154 F HA 0.415 4.942 4.527 -0.000 0.000 0.322 154 F C 0.210 176.024 175.800 0.023 0.000 1.127 154 F CA -0.813 57.197 58.000 0.016 0.000 1.164 154 F CB 0.002 39.009 39.000 0.012 0.000 1.101 154 F HN -0.012 nan 8.300 nan 0.000 0.529 155 L N 1.934 123.260 121.223 0.172 0.000 2.500 155 L HA 0.046 4.385 4.340 -0.000 0.000 0.272 155 L C 1.133 178.061 176.870 0.097 0.000 1.149 155 L CA 0.438 55.349 54.840 0.119 0.000 0.897 155 L CB 0.887 42.994 42.059 0.080 0.000 1.178 155 L HN 0.241 nan 8.230 nan 0.000 0.473 156 K N 3.863 124.323 120.400 0.100 0.000 2.214 156 K HA 0.304 4.624 4.320 -0.000 0.000 0.201 156 K C -0.139 176.530 176.600 0.115 0.000 1.049 156 K CA 0.594 56.939 56.287 0.096 0.000 0.978 156 K CB 0.509 33.064 32.500 0.092 0.000 0.842 156 K HN 0.439 nan 8.250 nan 0.000 0.474 157 I N 1.481 122.098 120.570 0.078 0.000 2.466 157 I HA 0.333 4.502 4.170 -0.000 0.000 0.289 157 I C -1.042 175.003 176.117 -0.121 0.000 1.026 157 I CA -0.591 60.733 61.300 0.040 0.000 1.078 157 I CB 2.151 40.119 38.000 -0.054 0.000 1.249 157 I HN -0.078 nan 8.210 nan 0.000 0.429 158 I N 5.002 125.572 120.570 0.001 0.000 2.466 158 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 158 I C -1.184 174.923 176.117 -0.016 0.000 1.026 158 I CA -0.390 60.871 61.300 -0.064 0.000 1.078 158 I CB 2.034 40.025 38.000 -0.014 0.000 1.249 158 I HN 0.483 nan 8.210 nan 0.000 0.429 159 D N 6.502 126.849 120.400 -0.090 0.000 2.462 159 D HA 0.331 4.971 4.640 -0.000 0.000 0.245 159 D C -0.203 176.085 176.300 -0.020 0.000 1.122 159 D CA -0.370 53.623 54.000 -0.012 0.000 0.864 159 D CB 1.789 42.583 40.800 -0.010 0.000 1.098 159 D HN 0.286 nan 8.370 nan 0.000 0.541 160 V N 0.468 120.377 119.914 -0.009 0.000 2.854 160 V HA 0.397 4.517 4.120 -0.000 0.000 0.366 160 V C 0.071 176.164 176.094 -0.001 0.000 1.322 160 V CA -0.885 61.411 62.300 -0.006 0.000 1.243 160 V CB -0.006 31.814 31.823 -0.006 0.000 1.337 160 V HN 0.210 nan 8.190 nan 0.000 0.585 161 D N 3.101 123.500 120.400 -0.002 0.000 2.525 161 D HA 0.105 4.744 4.640 -0.000 0.000 0.235 161 D C 0.549 176.850 176.300 0.001 0.000 1.137 161 D CA 1.223 55.221 54.000 -0.002 0.000 0.868 161 D CB 0.147 40.939 40.800 -0.013 0.000 1.180 161 D HN 0.566 nan 8.370 nan 0.000 0.465 162 N N 2.116 120.819 118.700 0.004 0.000 2.663 162 N HA -0.177 4.562 4.740 -0.000 0.000 0.263 162 N C -0.576 174.938 175.510 0.007 0.000 1.109 162 N CA 0.518 53.572 53.050 0.006 0.000 0.701 162 N CB -0.879 37.611 38.487 0.005 0.000 0.879 162 N HN 0.490 nan 8.380 nan 0.000 0.550 163 N N -0.551 118.153 118.700 0.007 0.000 3.566 163 N HA 0.407 5.146 4.740 -0.000 0.000 0.354 163 N C -0.354 175.161 175.510 0.008 0.000 1.632 163 N CA -0.416 52.639 53.050 0.007 0.000 0.690 163 N CB 0.673 39.164 38.487 0.007 0.000 2.273 163 N HN 0.037 nan 8.380 nan 0.000 0.643 164 S N 0.664 116.369 115.700 0.007 0.000 2.665 164 S HA 0.398 4.868 4.470 -0.000 0.000 0.235 164 S C -0.433 174.171 174.600 0.007 0.000 1.084 164 S CA -0.382 57.822 58.200 0.007 0.000 1.151 164 S CB -0.025 63.180 63.200 0.008 0.000 1.151 164 S HN 0.235 nan 8.310 nan 0.000 0.461 165 L N 1.649 122.875 121.223 0.006 0.000 2.281 165 L HA 0.407 4.747 4.340 -0.000 0.000 0.285 165 L C 1.219 178.091 176.870 0.005 0.000 1.074 165 L CA -0.358 54.485 54.840 0.005 0.000 0.817 165 L CB 0.832 42.894 42.059 0.004 0.000 1.168 165 L HN 0.104 nan 8.230 nan 0.000 0.434 166 K N 2.235 122.638 120.400 0.004 0.000 2.243 166 K HA 0.032 4.352 4.320 -0.000 0.000 0.201 166 K C -0.202 176.400 176.600 0.003 0.000 1.051 166 K CA 0.885 57.174 56.287 0.004 0.000 0.970 166 K CB 0.277 32.780 32.500 0.004 0.000 0.755 166 K HN 0.548 nan 8.250 nan 0.000 0.465 167 K N -0.696 119.706 120.400 0.003 0.000 2.556 167 K HA 0.340 4.660 4.320 -0.000 0.000 0.274 167 K C -1.198 175.402 176.600 0.001 0.000 0.966 167 K CA -0.823 55.465 56.287 0.001 0.000 0.865 167 K CB 1.321 33.822 32.500 0.001 0.000 1.444 167 K HN -0.201 nan 8.250 nan 0.000 0.433 168 L N 2.336 123.559 121.223 -0.000 0.000 2.307 168 L HA 0.487 4.827 4.340 -0.000 0.000 0.282 168 L C -1.937 174.933 176.870 0.001 0.000 1.051 168 L CA -1.979 52.860 54.840 -0.001 0.000 0.804 168 L CB 1.497 43.554 42.059 -0.004 0.000 1.197 168 L HN 0.619 nan 8.230 nan 0.000 0.431 169 P HA 0.126 nan 4.420 nan 0.000 0.276 169 P C -0.991 176.311 177.300 0.003 0.000 1.261 169 P CA -0.624 62.478 63.100 0.004 0.000 0.800 169 P CB 0.747 32.452 31.700 0.007 0.000 1.066 170 D N 0.121 120.523 120.400 0.004 0.000 2.423 170 D HA 0.121 4.761 4.640 -0.000 0.000 0.238 170 D C 0.283 176.587 176.300 0.007 0.000 1.142 170 D CA 0.446 54.448 54.000 0.003 0.000 0.884 170 D CB 0.487 41.289 40.800 0.003 0.000 1.199 170 D HN 0.213 nan 8.370 nan 0.000 0.438 171 L N 2.937 124.165 121.223 0.008 0.000 2.334 171 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 171 L C -2.006 174.876 176.870 0.019 0.000 1.036 171 L CA -1.819 53.029 54.840 0.014 0.000 0.807 171 L CB 1.649 43.715 42.059 0.012 0.000 1.231 171 L HN 0.153 nan 8.230 nan 0.000 0.438 172 P HA 0.187 nan 4.420 nan 0.000 0.278 172 P C -2.408 174.921 177.300 0.047 0.000 1.238 172 P CA -1.666 61.449 63.100 0.026 0.000 0.794 172 P CB 0.724 32.438 31.700 0.024 0.000 0.955 173 P HA -0.052 nan 4.420 nan 0.000 0.237 173 P C 1.022 178.468 177.300 0.244 0.000 1.178 173 P CA 0.831 63.988 63.100 0.094 0.000 0.766 173 P CB -0.273 31.463 31.700 0.061 0.000 0.876 174 S N -1.222 114.578 115.700 0.166 0.000 2.603 174 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 174 S C 0.845 175.542 174.600 0.162 0.000 0.967 174 S CA -0.401 57.900 58.200 0.167 0.000 0.920 174 S CB -0.958 62.244 63.200 0.003 0.000 0.773 174 S HN 0.009 nan 8.310 nan 0.000 0.529 175 L N 2.696 124.012 121.223 0.154 0.000 2.540 175 L HA 0.170 4.510 4.340 -0.000 0.000 0.276 175 L C 0.901 177.875 176.870 0.175 0.000 1.212 175 L CA 0.777 55.696 54.840 0.131 0.000 0.893 175 L CB 0.102 42.218 42.059 0.094 0.000 1.138 175 L HN 0.159 nan 8.230 nan 0.000 0.491 176 E N 3.702 124.002 120.200 0.168 0.000 2.330 176 E HA 0.119 4.469 4.350 -0.000 0.000 0.200 176 E C -0.780 175.968 176.600 0.247 0.000 0.922 176 E CA 0.140 56.659 56.400 0.198 0.000 0.935 176 E CB 0.596 30.393 29.700 0.161 0.000 0.917 176 E HN 0.500 nan 8.360 nan 0.000 0.491 177 F N 0.964 120.953 119.950 0.064 0.000 2.581 177 F HA 0.542 5.068 4.527 -0.000 0.000 0.311 177 F C -1.647 174.187 175.800 0.056 0.000 1.113 177 F CA -0.997 57.047 58.000 0.073 0.000 0.935 177 F CB 1.524 40.569 39.000 0.075 0.000 1.232 177 F HN -0.238 nan 8.300 nan 0.000 0.445 178 I N 4.779 125.076 120.570 -0.456 0.000 2.722 178 I HA 0.803 4.973 4.170 -0.000 0.000 0.295 178 I C -1.790 174.051 176.117 -0.460 0.000 1.161 178 I CA -0.678 60.442 61.300 -0.299 0.000 1.032 178 I CB 1.970 39.907 38.000 -0.104 0.000 1.244 178 I HN 0.851 nan 8.210 nan 0.000 0.421 179 A N 5.521 128.203 122.820 -0.231 0.000 2.310 179 A HA 0.843 5.163 4.320 -0.000 0.000 0.304 179 A C -0.217 177.353 177.584 -0.023 0.000 1.231 179 A CA -0.048 51.934 52.037 -0.091 0.000 0.799 179 A CB 1.224 20.191 19.000 -0.056 0.000 1.162 179 A HN 1.005 nan 8.150 nan 0.000 0.486 180 A N 2.520 125.341 122.820 0.001 0.000 2.585 180 A HA 0.593 4.913 4.320 -0.000 0.000 0.281 180 A C 0.821 178.413 177.584 0.015 0.000 0.945 180 A CA 0.339 52.377 52.037 0.001 0.000 1.031 180 A CB -0.371 18.623 19.000 -0.009 0.000 1.221 180 A HN 1.470 nan 8.150 nan 0.000 0.496 181 G N -0.225 108.593 108.800 0.030 0.000 2.594 181 G HA2 0.336 4.296 3.960 -0.000 0.000 0.243 181 G HA3 0.336 4.296 3.960 -0.000 0.000 0.243 181 G C 0.518 175.431 174.900 0.022 0.000 1.229 181 G CA 0.249 45.372 45.100 0.039 0.000 0.843 181 G HN 0.618 nan 8.290 nan 0.000 0.578 182 N N 0.111 118.826 118.700 0.024 0.000 2.738 182 N HA -0.175 4.564 4.740 -0.000 0.000 0.249 182 N C 0.039 175.557 175.510 0.013 0.000 1.047 182 N CA 0.626 53.687 53.050 0.018 0.000 0.707 182 N CB -0.675 37.822 38.487 0.016 0.000 0.937 182 N HN 0.656 nan 8.380 nan 0.000 0.545 183 N N 0.015 118.722 118.700 0.012 0.000 3.357 183 N HA 0.269 5.009 4.740 -0.000 0.000 0.359 183 N C -0.287 175.228 175.510 0.009 0.000 1.477 183 N CA -0.231 52.825 53.050 0.009 0.000 0.645 183 N CB 0.358 38.850 38.487 0.007 0.000 1.703 183 N HN 0.191 nan 8.380 nan 0.000 0.597 184 Q N 0.962 120.767 119.800 0.007 0.000 2.318 184 Q HA 0.420 4.760 4.340 -0.000 0.000 0.371 184 Q C -0.880 175.123 176.000 0.005 0.000 0.896 184 Q CA -0.139 55.669 55.803 0.007 0.000 1.134 184 Q CB 0.542 29.283 28.738 0.006 0.000 1.329 184 Q HN 0.301 nan 8.270 nan 0.000 0.413 185 L N 0.817 122.043 121.223 0.005 0.000 2.410 185 L HA 0.128 4.468 4.340 -0.000 0.000 0.273 185 L C 1.300 178.172 176.870 0.003 0.000 1.152 185 L CA -0.043 54.799 54.840 0.003 0.000 0.855 185 L CB 0.681 42.742 42.059 0.002 0.000 1.129 185 L HN 0.270 nan 8.230 nan 0.000 0.463 186 E N 1.699 121.899 120.200 0.001 0.000 2.431 186 E HA 0.177 4.526 4.350 -0.000 0.000 0.200 186 E C -0.094 176.506 176.600 -0.001 0.000 0.995 186 E CA 0.432 56.832 56.400 0.000 0.000 0.915 186 E CB 0.756 30.456 29.700 0.000 0.000 0.930 186 E HN 0.621 nan 8.360 nan 0.000 0.496 187 E N -0.468 119.732 120.200 -0.002 0.000 2.413 187 E HA 0.407 4.757 4.350 -0.000 0.000 0.277 187 E C -0.998 175.600 176.600 -0.004 0.000 0.958 187 E CA -0.575 55.824 56.400 -0.003 0.000 0.779 187 E CB 2.068 31.766 29.700 -0.003 0.000 1.278 187 E HN -0.081 nan 8.360 nan 0.000 0.456 188 L N 1.791 123.011 121.223 -0.007 0.000 2.332 188 L HA 0.541 4.881 4.340 -0.000 0.000 0.269 188 L C -2.137 174.728 176.870 -0.008 0.000 1.016 188 L CA -1.990 52.844 54.840 -0.009 0.000 0.809 188 L CB 1.313 43.364 42.059 -0.013 0.000 1.280 188 L HN 0.361 nan 8.230 nan 0.000 0.447 189 P HA 0.029 nan 4.420 nan 0.000 0.272 189 P C -0.811 176.484 177.300 -0.009 0.000 1.248 189 P CA -0.384 62.712 63.100 -0.007 0.000 0.799 189 P CB 0.374 32.070 31.700 -0.006 0.000 0.997 190 E N 0.343 120.538 120.200 -0.009 0.000 2.373 190 E HA 0.103 4.452 4.350 -0.000 0.000 0.267 190 E C 0.496 177.089 176.600 -0.012 0.000 1.032 190 E CA 0.169 56.562 56.400 -0.010 0.000 0.889 190 E CB 0.583 30.277 29.700 -0.010 0.000 0.984 190 E HN 0.377 nan 8.360 nan 0.000 0.425 191 L N 1.602 122.817 121.223 -0.014 0.000 2.840 191 L HA 0.008 4.348 4.340 -0.000 0.000 0.249 191 L C 2.106 178.965 176.870 -0.017 0.000 1.119 191 L CA 0.045 54.877 54.840 -0.014 0.000 0.930 191 L CB 0.139 42.188 42.059 -0.017 0.000 1.295 191 L HN 0.453 nan 8.230 nan 0.000 0.534 192 Q N -0.249 119.540 119.800 -0.018 0.000 2.500 192 Q HA -0.071 4.269 4.340 -0.000 0.000 0.213 192 Q C 0.677 176.659 176.000 -0.030 0.000 0.974 192 Q CA 1.042 56.832 55.803 -0.022 0.000 0.918 192 Q CB -0.137 28.589 28.738 -0.020 0.000 0.980 192 Q HN 0.410 nan 8.270 nan 0.000 0.505 193 N N -0.052 118.629 118.700 -0.031 0.000 2.236 193 N HA 0.100 4.840 4.740 -0.000 0.000 0.196 193 N C -0.613 174.861 175.510 -0.059 0.000 1.114 193 N CA -0.027 52.998 53.050 -0.042 0.000 0.859 193 N CB 0.486 38.954 38.487 -0.031 0.000 0.982 193 N HN 0.162 nan 8.380 nan 0.000 0.493 194 L N 3.836 125.030 121.223 -0.048 0.000 2.456 194 L HA 0.156 4.496 4.340 -0.000 0.000 0.277 194 L C -0.916 175.877 176.870 -0.128 0.000 1.124 194 L CA -1.282 53.527 54.840 -0.051 0.000 0.880 194 L CB 0.472 42.526 42.059 -0.008 0.000 1.192 194 L HN -0.008 nan 8.230 nan 0.000 0.463 195 P HA -0.099 nan 4.420 nan 0.000 0.222 195 P C 0.816 177.685 177.300 -0.717 0.000 1.153 195 P CA 1.344 64.094 63.100 -0.582 0.000 0.798 195 P CB 0.187 31.310 31.700 -0.961 0.000 0.796 196 F N -1.460 118.504 119.950 0.023 0.000 2.661 196 F HA 0.266 4.793 4.527 -0.000 0.000 0.306 196 F C 0.953 176.776 175.800 0.037 0.000 1.094 196 F CA -0.874 57.142 58.000 0.027 0.000 1.254 196 F CB -0.206 38.808 39.000 0.024 0.000 1.040 196 F HN -0.227 nan 8.300 nan 0.000 0.562 197 L N 0.834 122.134 121.223 0.128 0.000 2.534 197 L HA 0.122 4.462 4.340 -0.000 0.000 0.271 197 L C 0.984 177.913 176.870 0.099 0.000 1.178 197 L CA 1.048 55.951 54.840 0.106 0.000 0.907 197 L CB 0.566 42.655 42.059 0.050 0.000 1.164 197 L HN 0.108 nan 8.230 nan 0.000 0.482 198 T N 3.516 118.139 114.554 0.115 0.000 3.018 198 T HA 0.525 4.874 4.350 -0.000 0.000 0.246 198 T C -0.055 174.697 174.700 0.086 0.000 1.026 198 T CA 0.529 62.697 62.100 0.114 0.000 1.081 198 T CB 0.314 69.272 68.868 0.150 0.000 0.970 198 T HN 0.698 nan 8.240 nan 0.000 0.475 199 A N 1.276 124.131 122.820 0.057 0.000 2.540 199 A HA 0.689 5.009 4.320 -0.000 0.000 0.297 199 A C -1.685 175.744 177.584 -0.258 0.000 1.056 199 A CA -0.759 51.238 52.037 -0.067 0.000 0.700 199 A CB 1.084 20.142 19.000 0.096 0.000 1.280 199 A HN 0.281 nan 8.150 nan 0.000 0.398 200 I N 1.315 121.683 120.570 -0.336 0.000 2.466 200 I HA 0.436 4.605 4.170 -0.000 0.000 0.289 200 I C -1.590 174.231 176.117 -0.492 0.000 1.026 200 I CA -0.542 60.563 61.300 -0.326 0.000 1.078 200 I CB 1.536 39.421 38.000 -0.191 0.000 1.249 200 I HN 0.616 nan 8.210 nan 0.000 0.429 201 Y N 4.097 124.237 120.300 -0.267 0.000 2.328 201 Y HA 0.600 5.150 4.550 -0.001 0.000 0.333 201 Y C 0.590 176.417 175.900 -0.122 0.000 0.958 201 Y CA -0.734 57.264 58.100 -0.170 0.000 1.167 201 Y CB 1.994 40.360 38.460 -0.157 0.000 1.151 201 Y HN 0.712 nan 8.280 nan 0.000 0.470 202 A N 1.820 124.653 122.820 0.021 0.000 2.592 202 A HA 0.160 4.480 4.320 -0.000 0.000 0.290 202 A C -0.081 177.519 177.584 0.027 0.000 0.998 202 A CA -0.542 51.502 52.037 0.012 0.000 0.983 202 A CB -0.210 18.780 19.000 -0.016 0.000 1.240 202 A HN 0.719 nan 8.150 nan 0.000 0.535 203 D N -0.162 120.270 120.400 0.054 0.000 2.360 203 D HA -0.007 4.633 4.640 -0.000 0.000 0.242 203 D C -0.372 175.957 176.300 0.048 0.000 1.184 203 D CA -0.170 53.864 54.000 0.057 0.000 0.930 203 D CB 0.229 41.078 40.800 0.083 0.000 1.161 203 D HN 0.100 nan 8.370 nan 0.000 0.447 204 N N 1.011 119.739 118.700 0.045 0.000 2.696 204 N HA -0.150 4.590 4.740 -0.000 0.000 0.256 204 N C -0.805 174.721 175.510 0.026 0.000 1.031 204 N CA 0.568 53.639 53.050 0.036 0.000 0.730 204 N CB -0.851 37.657 38.487 0.035 0.000 0.894 204 N HN 0.537 nan 8.380 nan 0.000 0.544 205 N N -1.009 117.705 118.700 0.023 0.000 3.379 205 N HA 0.340 5.080 4.740 -0.000 0.000 0.350 205 N C -0.184 175.334 175.510 0.013 0.000 1.553 205 N CA -0.388 52.671 53.050 0.016 0.000 0.712 205 N CB 0.807 39.302 38.487 0.013 0.000 1.880 205 N HN -0.072 nan 8.380 nan 0.000 0.648 206 S N 0.484 116.189 115.700 0.009 0.000 2.581 206 S HA 0.391 4.861 4.470 -0.000 0.000 0.245 206 S C -0.009 174.594 174.600 0.004 0.000 1.115 206 S CA -0.369 57.835 58.200 0.007 0.000 1.093 206 S CB -0.275 62.928 63.200 0.005 0.000 0.853 206 S HN 0.232 nan 8.310 nan 0.000 0.479 207 L N 1.955 123.181 121.223 0.005 0.000 2.410 207 L HA 0.255 4.594 4.340 -0.000 0.000 0.273 207 L C 1.274 178.145 176.870 0.002 0.000 1.152 207 L CA 0.033 54.874 54.840 0.003 0.000 0.855 207 L CB 0.519 42.580 42.059 0.003 0.000 1.129 207 L HN 0.168 nan 8.230 nan 0.000 0.463 208 K N 2.056 122.456 120.400 -0.001 0.000 2.352 208 K HA 0.190 4.509 4.320 -0.000 0.000 0.194 208 K C -0.006 176.593 176.600 -0.002 0.000 1.038 208 K CA 0.370 56.656 56.287 -0.002 0.000 1.023 208 K CB 0.461 32.958 32.500 -0.005 0.000 0.840 208 K HN 0.430 nan 8.250 nan 0.000 0.519 209 K N 0.820 121.218 120.400 -0.002 0.000 2.527 209 K HA 0.420 4.739 4.320 -0.000 0.000 0.260 209 K C -1.354 175.244 176.600 -0.004 0.000 0.937 209 K CA -0.441 55.844 56.287 -0.003 0.000 0.826 209 K CB 2.414 34.912 32.500 -0.005 0.000 1.359 209 K HN -0.133 nan 8.250 nan 0.000 0.434 210 L N 3.530 124.750 121.223 -0.004 0.000 2.325 210 L HA 0.540 4.880 4.340 -0.000 0.000 0.279 210 L C -2.019 174.845 176.870 -0.009 0.000 1.054 210 L CA -2.007 52.829 54.840 -0.007 0.000 0.804 210 L CB 1.131 43.187 42.059 -0.007 0.000 1.200 210 L HN 0.441 nan 8.230 nan 0.000 0.436 211 P HA 0.115 nan 4.420 nan 0.000 0.274 211 P C -1.030 176.263 177.300 -0.012 0.000 1.246 211 P CA -0.590 62.503 63.100 -0.011 0.000 0.795 211 P CB 0.444 32.136 31.700 -0.013 0.000 1.006 212 D N 0.405 120.797 120.400 -0.013 0.000 2.472 212 D HA 0.058 4.697 4.640 -0.000 0.000 0.237 212 D C 0.193 176.484 176.300 -0.015 0.000 1.141 212 D CA 0.577 54.568 54.000 -0.014 0.000 0.875 212 D CB 0.356 41.148 40.800 -0.015 0.000 1.192 212 D HN 0.189 nan 8.370 nan 0.000 0.450 213 L N 3.710 124.924 121.223 -0.015 0.000 2.360 213 L HA 0.386 4.725 4.340 -0.000 0.000 0.271 213 L C -1.982 174.881 176.870 -0.011 0.000 1.057 213 L CA -1.896 52.937 54.840 -0.013 0.000 0.803 213 L CB 1.203 43.256 42.059 -0.011 0.000 1.207 213 L HN 0.171 nan 8.230 nan 0.000 0.445 214 P HA 0.117 nan 4.420 nan 0.000 0.275 214 P C 0.674 177.986 177.300 0.019 0.000 1.228 214 P CA -0.332 62.767 63.100 -0.001 0.000 0.786 214 P CB 0.935 32.634 31.700 -0.002 0.000 0.927 215 L N 1.459 122.692 121.223 0.017 0.000 2.191 215 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 215 L C 2.186 179.165 176.870 0.180 0.000 1.103 215 L CA 1.983 56.845 54.840 0.036 0.000 0.769 215 L CB -0.894 41.176 42.059 0.018 0.000 0.908 215 L HN 0.450 nan 8.230 nan 0.000 0.438 216 S N -0.699 115.108 115.700 0.178 0.000 2.527 216 S HA 0.029 4.499 4.470 -0.000 0.000 0.222 216 S C 0.705 175.436 174.600 0.218 0.000 0.985 216 S CA -0.382 57.971 58.200 0.256 0.000 0.921 216 S CB -0.352 62.910 63.200 0.103 0.000 0.772 216 S HN 0.168 nan 8.310 nan 0.000 0.529 217 L N 2.516 123.827 121.223 0.147 0.000 2.540 217 L HA 0.168 4.508 4.340 -0.000 0.000 0.276 217 L C 1.008 177.961 176.870 0.137 0.000 1.212 217 L CA 0.780 55.682 54.840 0.103 0.000 0.893 217 L CB 0.332 42.420 42.059 0.050 0.000 1.138 217 L HN 0.159 nan 8.230 nan 0.000 0.491 218 E N 1.264 121.529 120.200 0.110 0.000 2.290 218 E HA 0.110 4.460 4.350 -0.000 0.000 0.197 218 E C -0.185 176.459 176.600 0.074 0.000 0.948 218 E CA 0.549 57.019 56.400 0.117 0.000 0.895 218 E CB 0.489 30.252 29.700 0.106 0.000 0.865 218 E HN 0.694 nan 8.360 nan 0.000 0.486 219 S N 0.106 115.820 115.700 0.024 0.000 2.536 219 S HA 0.545 5.015 4.470 -0.000 0.000 0.271 219 S C -1.124 173.408 174.600 -0.113 0.000 1.134 219 S CA -0.926 57.259 58.200 -0.025 0.000 0.897 219 S CB 1.816 64.991 63.200 -0.042 0.000 1.094 219 S HN 0.158 nan 8.310 nan 0.000 0.473 220 I N 3.004 123.510 120.570 -0.106 0.000 2.478 220 I HA 0.608 4.778 4.170 -0.000 0.000 0.287 220 I C -1.700 174.328 176.117 -0.148 0.000 1.042 220 I CA -0.916 60.289 61.300 -0.158 0.000 1.067 220 I CB 1.729 39.684 38.000 -0.076 0.000 1.233 220 I HN 0.622 nan 8.210 nan 0.000 0.431 221 V N 7.716 127.445 119.914 -0.310 0.000 2.293 221 V HA 0.594 4.714 4.120 -0.000 0.000 0.275 221 V C 0.545 176.589 176.094 -0.084 0.000 1.021 221 V CA -0.146 62.019 62.300 -0.225 0.000 0.815 221 V CB 0.918 32.461 31.823 -0.467 0.000 1.025 221 V HN 0.837 nan 8.190 nan 0.000 0.448 222 A N 3.705 126.538 122.820 0.022 0.000 2.806 222 A HA 0.662 4.982 4.320 -0.000 0.000 0.266 222 A C 0.788 178.411 177.584 0.065 0.000 0.926 222 A CA 0.081 52.136 52.037 0.030 0.000 1.068 222 A CB 0.079 19.085 19.000 0.010 0.000 1.189 222 A HN 0.841 nan 8.150 nan 0.000 0.481 223 G N -0.038 108.823 108.800 0.103 0.000 2.554 223 G HA2 0.342 4.302 3.960 -0.000 0.000 0.238 223 G HA3 0.342 4.302 3.960 -0.000 0.000 0.238 223 G C 0.482 175.427 174.900 0.074 0.000 1.259 223 G CA 0.414 45.579 45.100 0.107 0.000 0.843 223 G HN 0.744 nan 8.290 nan 0.000 0.582 224 N N 0.264 119.002 118.700 0.063 0.000 2.746 224 N HA -0.171 4.568 4.740 -0.000 0.000 0.250 224 N C -0.047 175.485 175.510 0.037 0.000 1.055 224 N CA 0.354 53.433 53.050 0.048 0.000 0.699 224 N CB -0.654 37.864 38.487 0.051 0.000 0.919 224 N HN 0.598 nan 8.380 nan 0.000 0.548 225 N N 0.233 118.953 118.700 0.032 0.000 3.312 225 N HA 0.552 5.292 4.740 -0.000 0.000 0.361 225 N C 0.296 175.816 175.510 0.016 0.000 1.476 225 N CA -0.265 52.798 53.050 0.022 0.000 0.669 225 N CB 0.559 39.058 38.487 0.020 0.000 1.629 225 N HN 0.208 nan 8.380 nan 0.000 0.612 226 I N 0.358 120.934 120.570 0.010 0.000 2.998 226 I HA 0.383 4.553 4.170 -0.000 0.000 0.338 226 I C -0.667 175.452 176.117 0.003 0.000 1.413 226 I CA -0.276 61.027 61.300 0.005 0.000 0.880 226 I CB 0.001 38.001 38.000 -0.000 0.000 2.051 226 I HN 0.040 nan 8.210 nan 0.000 0.561 227 L N 1.675 122.903 121.223 0.009 0.000 2.410 227 L HA 0.202 4.542 4.340 -0.000 0.000 0.273 227 L C 1.338 178.211 176.870 0.004 0.000 1.144 227 L CA 0.368 55.212 54.840 0.007 0.000 0.863 227 L CB 1.171 43.238 42.059 0.013 0.000 1.140 227 L HN 0.420 nan 8.230 nan 0.000 0.463 228 E N 1.931 122.130 120.200 -0.001 0.000 2.400 228 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 228 E C -0.035 176.565 176.600 0.000 0.000 1.012 228 E CA 0.177 56.574 56.400 -0.006 0.000 0.875 228 E CB 0.629 30.321 29.700 -0.013 0.000 0.859 228 E HN 0.732 nan 8.360 nan 0.000 0.498 229 E N -0.870 119.331 120.200 0.002 0.000 2.416 229 E HA 0.256 4.606 4.350 -0.000 0.000 0.280 229 E C -1.184 175.419 176.600 0.006 0.000 1.055 229 E CA -0.756 55.647 56.400 0.005 0.000 0.825 229 E CB 0.663 30.364 29.700 0.002 0.000 1.312 229 E HN -0.070 nan 8.360 nan 0.000 0.452 230 L N 1.567 122.794 121.223 0.008 0.000 2.343 230 L HA 0.515 4.855 4.340 -0.000 0.000 0.275 230 L C -1.807 175.064 176.870 0.002 0.000 1.056 230 L CA -2.042 52.802 54.840 0.006 0.000 0.804 230 L CB 0.900 42.965 42.059 0.010 0.000 1.203 230 L HN 0.544 nan 8.230 nan 0.000 0.440 231 P HA -0.002 nan 4.420 nan 0.000 0.274 231 P C -0.591 176.706 177.300 -0.006 0.000 1.264 231 P CA -0.457 62.640 63.100 -0.005 0.000 0.795 231 P CB 0.551 32.246 31.700 -0.007 0.000 1.064 232 E N -0.202 119.993 120.200 -0.009 0.000 2.415 232 E HA 0.053 4.402 4.350 -0.000 0.000 0.263 232 E C 0.324 176.915 176.600 -0.014 0.000 0.995 232 E CA 0.068 56.461 56.400 -0.012 0.000 0.915 232 E CB 0.116 29.807 29.700 -0.015 0.000 0.951 232 E HN 0.327 nan 8.360 nan 0.000 0.449 233 L N 3.464 124.678 121.223 -0.014 0.000 2.766 233 L HA 0.019 4.359 4.340 -0.000 0.000 0.241 233 L C 2.311 179.165 176.870 -0.026 0.000 1.080 233 L CA -0.121 54.709 54.840 -0.016 0.000 0.909 233 L CB -0.132 41.923 42.059 -0.007 0.000 1.277 233 L HN 0.546 nan 8.230 nan 0.000 0.510 234 Q N 0.388 120.173 119.800 -0.025 0.000 2.291 234 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 234 Q C 0.602 176.573 176.000 -0.047 0.000 0.976 234 Q CA 1.383 57.167 55.803 -0.031 0.000 0.875 234 Q CB -0.328 28.396 28.738 -0.025 0.000 0.927 234 Q HN 0.430 nan 8.270 nan 0.000 0.450 235 N N 0.729 119.399 118.700 -0.050 0.000 2.313 235 N HA 0.191 4.930 4.740 -0.000 0.000 0.207 235 N C -0.721 174.728 175.510 -0.101 0.000 1.141 235 N CA 0.220 53.228 53.050 -0.070 0.000 0.830 235 N CB 0.456 38.908 38.487 -0.057 0.000 1.008 235 N HN 0.293 nan 8.380 nan 0.000 0.481 236 L N 2.199 123.363 121.223 -0.099 0.000 2.272 236 L HA 0.323 4.663 4.340 -0.000 0.000 0.284 236 L C -1.333 175.417 176.870 -0.201 0.000 1.045 236 L CA -1.357 53.405 54.840 -0.131 0.000 0.842 236 L CB 1.615 43.637 42.059 -0.061 0.000 1.224 236 L HN -0.191 nan 8.230 nan 0.000 0.430 237 P HA -0.012 nan 4.420 nan 0.000 0.235 237 P C 0.779 177.753 177.300 -0.543 0.000 1.177 237 P CA 0.782 63.571 63.100 -0.519 0.000 0.785 237 P CB 0.252 31.497 31.700 -0.757 0.000 0.885 238 F N -1.359 118.600 119.950 0.015 0.000 2.678 238 F HA 0.268 4.795 4.527 -0.001 0.000 0.305 238 F C 1.017 176.832 175.800 0.025 0.000 1.090 238 F CA -1.104 56.910 58.000 0.023 0.000 1.272 238 F CB -0.749 38.267 39.000 0.027 0.000 1.060 238 F HN -0.215 nan 8.300 nan 0.000 0.576 239 L N 0.568 121.852 121.223 0.102 0.000 2.477 239 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 239 L C 1.052 177.975 176.870 0.088 0.000 1.157 239 L CA 0.958 55.851 54.840 0.089 0.000 0.889 239 L CB 0.476 42.559 42.059 0.040 0.000 1.158 239 L HN 0.088 nan 8.230 nan 0.000 0.473 240 T N 1.847 116.464 114.554 0.105 0.000 2.959 240 T HA 0.205 4.554 4.350 -0.000 0.000 0.254 240 T C 0.022 174.792 174.700 0.117 0.000 1.003 240 T CA 0.433 62.598 62.100 0.109 0.000 0.950 240 T CB 0.212 69.154 68.868 0.123 0.000 1.090 240 T HN 0.684 nan 8.240 nan 0.000 0.503 241 T N 1.705 116.326 114.554 0.111 0.000 2.991 241 T HA 0.634 4.983 4.350 -0.000 0.000 0.303 241 T C -1.211 173.573 174.700 0.139 0.000 1.015 241 T CA -0.398 61.789 62.100 0.146 0.000 1.007 241 T CB 1.699 70.658 68.868 0.152 0.000 1.034 241 T HN 0.065 nan 8.240 nan 0.000 0.446 242 I N 3.236 123.911 120.570 0.175 0.000 2.478 242 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 242 I C -1.473 174.768 176.117 0.206 0.000 1.042 242 I CA -0.899 60.493 61.300 0.154 0.000 1.067 242 I CB 1.705 39.745 38.000 0.068 0.000 1.233 242 I HN 0.550 nan 8.210 nan 0.000 0.431 243 Y N 4.593 124.886 120.300 -0.012 0.000 2.328 243 Y HA 0.622 5.171 4.550 -0.001 0.000 0.336 243 Y C 0.462 176.365 175.900 0.005 0.000 0.960 243 Y CA -0.983 57.121 58.100 0.007 0.000 1.134 243 Y CB 2.142 40.605 38.460 0.005 0.000 1.166 243 Y HN 0.603 nan 8.280 nan 0.000 0.464 244 A N 2.129 125.011 122.820 0.103 0.000 2.543 244 A HA 0.177 4.496 4.320 -0.000 0.000 0.279 244 A C -0.268 177.353 177.584 0.062 0.000 0.917 244 A CA -0.597 51.485 52.037 0.074 0.000 1.036 244 A CB -0.295 18.734 19.000 0.048 0.000 1.227 244 A HN 0.713 nan 8.150 nan 0.000 0.503 245 D N 0.323 120.764 120.400 0.069 0.000 2.390 245 D HA -0.055 4.585 4.640 -0.000 0.000 0.236 245 D C -0.449 175.893 176.300 0.070 0.000 1.189 245 D CA 0.082 54.120 54.000 0.064 0.000 0.887 245 D CB 0.259 41.108 40.800 0.080 0.000 1.198 245 D HN 0.137 nan 8.370 nan 0.000 0.444 246 N N 1.279 120.016 118.700 0.063 0.000 2.708 246 N HA -0.149 4.591 4.740 -0.000 0.000 0.255 246 N C -0.755 174.783 175.510 0.048 0.000 1.046 246 N CA 0.580 53.664 53.050 0.056 0.000 0.715 246 N CB -0.934 37.587 38.487 0.057 0.000 0.895 246 N HN 0.559 nan 8.380 nan 0.000 0.545 247 N N -0.159 118.568 118.700 0.045 0.000 3.550 247 N HA 0.497 5.237 4.740 -0.000 0.000 0.357 247 N C 0.252 175.779 175.510 0.027 0.000 1.585 247 N CA -0.470 52.600 53.050 0.033 0.000 0.651 247 N CB 0.392 38.899 38.487 0.033 0.000 2.273 247 N HN 0.034 nan 8.380 nan 0.000 0.631 248 L N 1.734 122.967 121.223 0.017 0.000 2.999 248 L HA 0.451 4.790 4.340 -0.000 0.000 0.263 248 L C -0.728 176.152 176.870 0.016 0.000 1.320 248 L CA -0.029 54.813 54.840 0.004 0.000 0.913 248 L CB 0.151 42.196 42.059 -0.023 0.000 1.296 248 L HN 0.135 nan 8.230 nan 0.000 0.546 249 L N 0.240 121.488 121.223 0.043 0.000 2.312 249 L HA 0.311 4.651 4.340 -0.000 0.000 0.281 249 L C 1.037 177.953 176.870 0.078 0.000 1.070 249 L CA -0.133 54.736 54.840 0.047 0.000 0.805 249 L CB 1.564 43.651 42.059 0.046 0.000 1.174 249 L HN 0.235 nan 8.230 nan 0.000 0.434 250 K N 0.259 120.698 120.400 0.065 0.000 2.354 250 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 250 K C 0.105 176.730 176.600 0.042 0.000 1.045 250 K CA 0.346 56.691 56.287 0.096 0.000 1.026 250 K CB 0.754 33.301 32.500 0.078 0.000 0.866 250 K HN 0.595 nan 8.250 nan 0.000 0.530 251 T N -0.164 114.408 114.554 0.031 0.000 2.886 251 T HA 0.455 4.804 4.350 -0.000 0.000 0.330 251 T C -1.899 172.817 174.700 0.026 0.000 1.488 251 T CA -0.698 61.414 62.100 0.020 0.000 1.054 251 T CB 1.044 69.920 68.868 0.015 0.000 1.348 251 T HN -0.100 nan 8.240 nan 0.000 0.489 252 L N 3.112 124.351 121.223 0.027 0.000 2.333 252 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 252 L C -2.083 174.797 176.870 0.018 0.000 1.010 252 L CA -2.244 52.612 54.840 0.027 0.000 0.818 252 L CB 2.019 44.100 42.059 0.036 0.000 1.306 252 L HN 0.468 nan 8.230 nan 0.000 0.430 253 P HA 0.127 nan 4.420 nan 0.000 0.274 253 P C -1.058 176.246 177.300 0.006 0.000 1.256 253 P CA -0.596 62.508 63.100 0.007 0.000 0.795 253 P CB 0.443 32.145 31.700 0.003 0.000 1.038 254 D N 0.197 120.598 120.400 0.001 0.000 2.488 254 D HA 0.049 4.689 4.640 -0.000 0.000 0.238 254 D C 0.313 176.611 176.300 -0.004 0.000 1.138 254 D CA 0.507 54.506 54.000 -0.002 0.000 0.873 254 D CB 0.504 41.300 40.800 -0.007 0.000 1.183 254 D HN 0.187 nan 8.370 nan 0.000 0.458 255 L N 3.430 124.651 121.223 -0.003 0.000 2.439 255 L HA 0.288 4.628 4.340 -0.000 0.000 0.259 255 L C -2.064 174.799 176.870 -0.011 0.000 1.129 255 L CA -1.868 52.970 54.840 -0.003 0.000 0.803 255 L CB 0.292 42.352 42.059 0.002 0.000 1.161 255 L HN 0.118 nan 8.230 nan 0.000 0.462 256 P HA 0.064 nan 4.420 nan 0.000 0.267 256 P C -2.101 175.188 177.300 -0.018 0.000 1.205 256 P CA -1.047 62.039 63.100 -0.023 0.000 0.765 256 P CB 0.124 31.816 31.700 -0.012 0.000 0.828 257 P HA -0.074 nan 4.420 nan 0.000 0.226 257 P C 0.474 177.766 177.300 -0.013 0.000 1.146 257 P CA 1.363 64.447 63.100 -0.026 0.000 0.773 257 P CB 0.147 31.824 31.700 -0.038 0.000 0.772 258 S N -1.324 114.374 115.700 -0.004 0.000 2.754 258 S HA 0.193 4.663 4.470 -0.000 0.000 0.247 258 S C 0.266 174.887 174.600 0.036 0.000 1.031 258 S CA -0.502 57.710 58.200 0.020 0.000 1.014 258 S CB -0.428 62.795 63.200 0.040 0.000 0.918 258 S HN -0.010 nan 8.310 nan 0.000 0.519 259 L N 2.650 123.889 121.223 0.026 0.000 2.615 259 L HA 0.028 4.368 4.340 -0.000 0.000 0.284 259 L C 0.966 177.864 176.870 0.047 0.000 1.237 259 L CA 1.387 56.251 54.840 0.041 0.000 0.905 259 L CB 0.377 42.453 42.059 0.028 0.000 1.149 259 L HN 0.231 nan 8.230 nan 0.000 0.499 260 E N 2.879 123.130 120.200 0.084 0.000 2.391 260 E HA 0.354 4.704 4.350 -0.000 0.000 0.206 260 E C -0.408 176.293 176.600 0.169 0.000 0.851 260 E CA 0.382 56.844 56.400 0.103 0.000 1.059 260 E CB 0.587 30.373 29.700 0.144 0.000 1.065 260 E HN 0.686 nan 8.360 nan 0.000 0.512 261 A N 1.463 124.399 122.820 0.193 0.000 2.359 261 A HA 0.609 4.929 4.320 -0.000 0.000 0.303 261 A C -1.552 176.105 177.584 0.122 0.000 1.066 261 A CA -0.530 51.654 52.037 0.246 0.000 0.730 261 A CB 1.011 20.198 19.000 0.311 0.000 1.211 261 A HN 0.109 nan 8.150 nan 0.000 0.439 262 L N 2.750 124.008 121.223 0.059 0.000 2.376 262 L HA 0.618 4.957 4.340 -0.000 0.000 0.275 262 L C -0.999 175.787 176.870 -0.141 0.000 0.987 262 L CA -0.252 54.567 54.840 -0.035 0.000 0.828 262 L CB 1.697 43.754 42.059 -0.004 0.000 1.249 262 L HN 0.683 nan 8.230 nan 0.000 0.409 263 N N 4.329 122.832 118.700 -0.328 0.000 2.442 263 N HA 0.451 5.191 4.740 -0.000 0.000 0.274 263 N C -0.675 174.729 175.510 -0.178 0.000 1.002 263 N CA -0.210 52.613 53.050 -0.378 0.000 0.910 263 N CB 1.954 39.906 38.487 -0.891 0.000 1.244 263 N HN 0.517 nan 8.380 nan 0.000 0.492 264 V N 1.511 121.388 119.914 -0.061 0.000 2.967 264 V HA 0.406 4.525 4.120 -0.000 0.000 0.364 264 V C 0.515 176.635 176.094 0.044 0.000 1.373 264 V CA -0.842 61.463 62.300 0.008 0.000 1.193 264 V CB -0.468 31.378 31.823 0.039 0.000 1.236 264 V HN 0.572 nan 8.190 nan 0.000 0.582 265 R N 1.425 121.941 120.500 0.026 0.000 2.538 265 R HA 0.117 4.457 4.340 -0.000 0.000 0.282 265 R C 0.363 176.702 176.300 0.065 0.000 1.009 265 R CA 1.148 57.279 56.100 0.053 0.000 1.063 265 R CB -0.036 30.294 30.300 0.049 0.000 0.945 265 R HN 0.585 nan 8.270 nan 0.000 0.414 266 D N 2.160 122.605 120.400 0.074 0.000 2.897 266 D HA -0.157 4.482 4.640 -0.000 0.000 0.250 266 D C -1.415 174.932 176.300 0.079 0.000 1.086 266 D CA 0.744 54.787 54.000 0.072 0.000 0.799 266 D CB -0.906 39.931 40.800 0.062 0.000 1.043 266 D HN 0.777 nan 8.370 nan 0.000 0.427 267 N N -0.398 118.357 118.700 0.092 0.000 3.455 267 N HA 0.326 5.065 4.740 -0.000 0.000 0.358 267 N C -0.567 175.032 175.510 0.147 0.000 1.580 267 N CA -0.405 52.709 53.050 0.106 0.000 0.692 267 N CB 0.319 38.859 38.487 0.089 0.000 1.978 267 N HN 0.107 nan 8.380 nan 0.000 0.651 268 Y N 1.199 121.480 120.300 -0.032 0.000 2.669 268 Y HA 0.484 5.033 4.550 -0.000 0.000 0.302 268 Y C -0.667 175.158 175.900 -0.126 0.000 1.000 268 Y CA -0.174 57.885 58.100 -0.068 0.000 1.222 268 Y CB -0.083 38.345 38.460 -0.053 0.000 1.209 268 Y HN 0.224 nan 8.280 nan 0.000 0.571 269 L N 0.264 121.392 121.223 -0.158 0.000 2.326 269 L HA 0.275 4.615 4.340 -0.000 0.000 0.278 269 L C 1.199 177.604 176.870 -0.776 0.000 1.092 269 L CA 0.043 54.698 54.840 -0.309 0.000 0.810 269 L CB 1.439 43.418 42.059 -0.133 0.000 1.153 269 L HN 0.110 nan 8.230 nan 0.000 0.439 270 T N -0.243 113.932 114.554 -0.632 0.000 3.018 270 T HA 0.066 4.415 4.350 -0.000 0.000 0.246 270 T C -0.127 174.237 174.700 -0.560 0.000 1.026 270 T CA 0.350 62.051 62.100 -0.665 0.000 1.081 270 T CB 0.142 68.809 68.868 -0.335 0.000 0.970 270 T HN 0.612 nan 8.240 nan 0.000 0.475 271 D N -0.593 119.644 120.400 -0.272 0.000 2.552 271 D HA 0.586 5.226 4.640 -0.000 0.000 0.239 271 D C -1.353 175.060 176.300 0.188 0.000 1.139 271 D CA -0.537 53.495 54.000 0.053 0.000 0.914 271 D CB 1.578 42.384 40.800 0.011 0.000 1.461 271 D HN 0.057 nan 8.370 nan 0.000 0.462 272 L N 1.424 122.778 121.223 0.218 0.000 2.319 272 L HA 0.629 4.969 4.340 -0.000 0.000 0.267 272 L C -1.919 174.995 176.870 0.074 0.000 1.011 272 L CA -1.696 53.236 54.840 0.153 0.000 0.818 272 L CB 1.802 43.935 42.059 0.123 0.000 1.316 272 L HN 0.346 nan 8.230 nan 0.000 0.432 273 P HA 0.113 nan 4.420 nan 0.000 0.277 273 P C -0.899 176.411 177.300 0.017 0.000 1.276 273 P CA -0.636 62.479 63.100 0.026 0.000 0.788 273 P CB 0.365 32.077 31.700 0.019 0.000 1.114 274 E N 0.209 120.413 120.200 0.007 0.000 2.465 274 E HA 0.050 4.400 4.350 -0.000 0.000 0.260 274 E C -0.292 176.304 176.600 -0.007 0.000 0.980 274 E CA 0.364 56.763 56.400 -0.002 0.000 0.927 274 E CB 0.052 29.749 29.700 -0.006 0.000 0.934 274 E HN 0.307 nan 8.360 nan 0.000 0.459 275 L N 5.774 126.988 121.223 -0.015 0.000 2.275 275 L HA 0.300 4.640 4.340 -0.000 0.000 0.288 275 L C -1.992 174.861 176.870 -0.028 0.000 1.046 275 L CA -2.058 52.768 54.840 -0.023 0.000 0.805 275 L CB 0.767 42.805 42.059 -0.036 0.000 1.193 275 L HN 0.181 nan 8.230 nan 0.000 0.426 276 P HA -0.025 nan 4.420 nan 0.000 0.265 276 P C 0.076 177.352 177.300 -0.040 0.000 1.187 276 P CA 0.026 63.110 63.100 -0.026 0.000 0.766 276 P CB 0.579 32.268 31.700 -0.018 0.000 0.820 277 Q N 1.249 121.026 119.800 -0.038 0.000 2.437 277 Q HA -0.109 4.230 4.340 -0.000 0.000 0.210 277 Q C 1.424 177.385 176.000 -0.065 0.000 0.972 277 Q CA 1.321 57.093 55.803 -0.052 0.000 0.903 277 Q CB -0.214 28.501 28.738 -0.040 0.000 0.967 277 Q HN 0.519 nan 8.270 nan 0.000 0.486 278 S N -1.041 114.629 115.700 -0.050 0.000 2.603 278 S HA 0.053 4.522 4.470 -0.000 0.000 0.220 278 S C 0.474 175.027 174.600 -0.077 0.000 0.967 278 S CA -0.387 57.782 58.200 -0.052 0.000 0.920 278 S CB 0.044 63.237 63.200 -0.011 0.000 0.773 278 S HN 0.218 nan 8.310 nan 0.000 0.529 279 L N 2.003 123.175 121.223 -0.085 0.000 2.453 279 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 279 L C 1.134 177.885 176.870 -0.199 0.000 1.182 279 L CA 0.891 55.678 54.840 -0.089 0.000 0.858 279 L CB 1.219 43.238 42.059 -0.068 0.000 1.120 279 L HN 0.201 nan 8.230 nan 0.000 0.474 280 T N 3.424 117.846 114.554 -0.221 0.000 3.009 280 T HA 0.351 4.701 4.350 -0.000 0.000 0.267 280 T C -0.672 173.572 174.700 -0.761 0.000 0.942 280 T CA -0.025 61.743 62.100 -0.554 0.000 0.883 280 T CB 0.004 68.545 68.868 -0.545 0.000 1.192 280 T HN 0.249 nan 8.240 nan 0.000 0.524 281 F N 1.789 121.785 119.950 0.077 0.000 2.579 281 F HA 0.704 5.231 4.527 -0.001 0.000 0.325 281 F C -0.825 175.046 175.800 0.119 0.000 1.162 281 F CA -1.264 56.848 58.000 0.187 0.000 0.946 281 F CB 1.858 40.953 39.000 0.157 0.000 1.211 281 F HN -0.073 nan 8.300 nan 0.000 0.447 282 L N 4.071 125.454 121.223 0.266 0.000 2.406 282 L HA 0.597 4.936 4.340 -0.000 0.000 0.272 282 L C -1.464 175.445 176.870 0.066 0.000 0.980 282 L CA -0.235 54.657 54.840 0.087 0.000 0.831 282 L CB 1.587 43.624 42.059 -0.036 0.000 1.253 282 L HN 0.489 nan 8.230 nan 0.000 0.406 283 D N 3.883 124.309 120.400 0.043 0.000 2.453 283 D HA 0.325 4.965 4.640 -0.000 0.000 0.238 283 D C 0.174 176.462 176.300 -0.020 0.000 1.088 283 D CA -0.123 53.895 54.000 0.029 0.000 0.854 283 D CB 1.765 42.616 40.800 0.086 0.000 1.076 283 D HN 0.415 nan 8.370 nan 0.000 0.533 284 V N 1.629 121.509 119.914 -0.056 0.000 3.176 284 V HA 0.262 4.382 4.120 -0.000 0.000 0.332 284 V C 0.734 176.855 176.094 0.046 0.000 1.414 284 V CA -0.267 62.020 62.300 -0.021 0.000 1.133 284 V CB -0.603 31.093 31.823 -0.212 0.000 1.088 284 V HN 0.437 nan 8.190 nan 0.000 0.473 285 S N 0.719 116.436 115.700 0.027 0.000 2.563 285 S HA 0.213 4.682 4.470 -0.000 0.000 0.284 285 S C 0.479 175.124 174.600 0.076 0.000 1.331 285 S CA 0.617 58.845 58.200 0.046 0.000 1.047 285 S CB 0.192 63.416 63.200 0.041 0.000 0.859 285 S HN 0.750 nan 8.310 nan 0.000 0.514 286 E N 0.619 120.863 120.200 0.073 0.000 2.320 286 E HA -0.212 4.137 4.350 -0.000 0.000 0.234 286 E C -0.188 176.458 176.600 0.077 0.000 1.183 286 E CA 0.430 56.869 56.400 0.065 0.000 0.713 286 E CB -1.569 28.164 29.700 0.055 0.000 1.226 286 E HN 0.714 nan 8.360 nan 0.000 0.382 287 N N 0.015 118.775 118.700 0.101 0.000 3.312 287 N HA 0.583 5.322 4.740 -0.000 0.000 0.361 287 N C 0.628 176.099 175.510 -0.066 0.000 1.476 287 N CA -0.218 52.864 53.050 0.053 0.000 0.669 287 N CB 0.745 39.357 38.487 0.209 0.000 1.629 287 N HN 0.167 nan 8.380 nan 0.000 0.612 288 I N -1.418 118.980 120.570 -0.286 0.000 3.083 288 I HA 0.433 4.603 4.170 -0.000 0.000 0.336 288 I C -1.071 174.854 176.117 -0.320 0.000 1.497 288 I CA -0.441 60.680 61.300 -0.299 0.000 0.936 288 I CB -0.283 37.429 38.000 -0.480 0.000 1.671 288 I HN 0.042 nan 8.210 nan 0.000 0.535 289 F N 1.872 121.768 119.950 -0.089 0.000 2.443 289 F HA 0.256 4.782 4.527 -0.000 0.000 0.353 289 F C 1.763 177.529 175.800 -0.056 0.000 1.101 289 F CA 0.267 58.227 58.000 -0.068 0.000 1.226 289 F CB 1.528 40.498 39.000 -0.051 0.000 1.140 289 F HN 0.330 nan 8.300 nan 0.000 0.557 290 S N 0.132 115.896 115.700 0.107 0.000 2.511 290 S HA 0.536 5.006 4.470 -0.000 0.000 0.214 290 S C 0.576 175.219 174.600 0.071 0.000 0.997 290 S CA 0.147 58.381 58.200 0.056 0.000 0.908 290 S CB 0.215 63.421 63.200 0.009 0.000 0.803 290 S HN 0.864 nan 8.310 nan 0.000 0.504 291 G N 0.398 109.268 108.800 0.116 0.000 2.600 291 G HA2 0.608 4.568 3.960 -0.000 0.000 0.293 291 G HA3 0.608 4.568 3.960 -0.000 0.000 0.293 291 G C -2.256 172.695 174.900 0.084 0.000 1.408 291 G CA -0.974 44.169 45.100 0.072 0.000 0.782 291 G HN 0.236 nan 8.290 nan 0.000 0.482 292 L N 1.388 122.614 121.223 0.004 0.000 2.406 292 L HA 0.481 4.820 4.340 -0.000 0.000 0.272 292 L C 0.542 177.393 176.870 -0.032 0.000 0.980 292 L CA -0.834 53.977 54.840 -0.049 0.000 0.831 292 L CB 2.199 44.168 42.059 -0.151 0.000 1.253 292 L HN 0.692 nan 8.230 nan 0.000 0.406 293 S N 0.656 116.347 115.700 -0.015 0.000 2.634 293 S HA 0.210 4.680 4.470 -0.000 0.000 0.261 293 S C 0.037 174.615 174.600 -0.037 0.000 1.271 293 S CA -0.854 57.336 58.200 -0.017 0.000 0.985 293 S CB 0.904 64.102 63.200 -0.004 0.000 0.968 293 S HN 0.652 nan 8.310 nan 0.000 0.568 294 E N 0.301 120.481 120.200 -0.033 0.000 2.765 294 E HA -0.072 4.277 4.350 -0.000 0.000 0.256 294 E C -0.654 175.915 176.600 -0.052 0.000 0.935 294 E CA 0.167 56.543 56.400 -0.041 0.000 0.954 294 E CB 0.052 29.733 29.700 -0.032 0.000 0.908 294 E HN 0.418 nan 8.360 nan 0.000 0.500 295 L N 6.513 127.696 121.223 -0.066 0.000 2.439 295 L HA 0.339 4.679 4.340 -0.000 0.000 0.261 295 L C -1.657 175.168 176.870 -0.076 0.000 1.153 295 L CA -1.954 52.837 54.840 -0.082 0.000 0.808 295 L CB 0.462 42.463 42.059 -0.097 0.000 1.126 295 L HN 0.508 nan 8.230 nan 0.000 0.460 296 P HA 0.108 nan 4.420 nan 0.000 0.272 296 P C -2.358 174.884 177.300 -0.098 0.000 1.223 296 P CA -1.355 61.695 63.100 -0.084 0.000 0.784 296 P CB 0.273 31.919 31.700 -0.089 0.000 0.923 297 P HA 0.008 nan 4.420 nan 0.000 0.245 297 P C 0.396 177.631 177.300 -0.109 0.000 1.212 297 P CA 0.796 63.848 63.100 -0.081 0.000 0.774 297 P CB 0.128 31.794 31.700 -0.055 0.000 0.999 298 N N -0.432 118.163 118.700 -0.175 0.000 2.205 298 N HA 0.072 4.811 4.740 -0.000 0.000 0.201 298 N C 0.411 175.596 175.510 -0.542 0.000 1.128 298 N CA -0.316 52.551 53.050 -0.305 0.000 0.867 298 N CB 0.072 38.374 38.487 -0.308 0.000 0.996 298 N HN 0.146 nan 8.380 nan 0.000 0.503 299 L N 1.573 122.585 121.223 -0.351 0.000 2.559 299 L HA -0.073 4.267 4.340 -0.000 0.000 0.274 299 L C 0.527 177.200 176.870 -0.329 0.000 1.205 299 L CA 0.554 55.174 54.840 -0.367 0.000 0.907 299 L CB 0.185 42.121 42.059 -0.204 0.000 1.153 299 L HN 0.061 nan 8.230 nan 0.000 0.490 300 Y N 4.604 124.740 120.300 -0.275 0.000 2.503 300 Y HA 0.168 4.717 4.550 -0.000 0.000 0.277 300 Y C -0.127 175.733 175.900 -0.066 0.000 1.102 300 Y CA -0.126 57.852 58.100 -0.204 0.000 1.261 300 Y CB -0.338 37.942 38.460 -0.300 0.000 1.096 300 Y HN 0.615 nan 8.280 nan 0.000 0.546 301 Y N 0.462 120.692 120.300 -0.116 0.000 2.421 301 Y HA 0.607 5.157 4.550 -0.001 0.000 0.339 301 Y C -2.015 173.902 175.900 0.028 0.000 0.996 301 Y CA -2.157 55.978 58.100 0.059 0.000 1.046 301 Y CB 1.646 40.293 38.460 0.311 0.000 1.226 301 Y HN -0.148 nan 8.280 nan 0.000 0.445 302 L N 6.855 127.729 121.223 -0.582 0.000 2.441 302 L HA 0.549 4.889 4.340 -0.000 0.000 0.270 302 L C -2.078 174.412 176.870 -0.633 0.000 0.973 302 L CA -0.421 54.112 54.840 -0.512 0.000 0.842 302 L CB 1.610 43.512 42.059 -0.262 0.000 1.239 302 L HN 0.780 nan 8.230 nan 0.000 0.406 303 N N 4.223 122.577 118.700 -0.576 0.000 2.558 303 N HA 0.644 5.384 4.740 -0.000 0.000 0.242 303 N C -0.396 175.016 175.510 -0.164 0.000 0.979 303 N CA 0.244 53.099 53.050 -0.324 0.000 0.931 303 N CB 1.782 40.174 38.487 -0.158 0.000 1.122 303 N HN 0.734 nan 8.380 nan 0.000 0.508 304 A N 2.196 124.936 122.820 -0.134 0.000 2.606 304 A HA 0.216 4.536 4.320 -0.000 0.000 0.290 304 A C 0.539 178.102 177.584 -0.035 0.000 1.174 304 A CA -0.381 51.591 52.037 -0.107 0.000 0.958 304 A CB -0.535 18.370 19.000 -0.158 0.000 1.194 304 A HN 0.607 nan 8.150 nan 0.000 0.526 305 S N -0.494 115.199 115.700 -0.012 0.000 2.580 305 S HA 0.328 4.797 4.470 -0.000 0.000 0.266 305 S C 0.698 175.319 174.600 0.035 0.000 1.354 305 S CA 0.581 58.797 58.200 0.027 0.000 1.008 305 S CB 0.180 63.408 63.200 0.048 0.000 0.898 305 S HN 1.165 nan 8.310 nan 0.000 0.555 306 S N 1.396 117.119 115.700 0.038 0.000 3.631 306 S HA -0.138 4.332 4.470 -0.000 0.000 0.366 306 S C 0.189 174.814 174.600 0.042 0.000 0.993 306 S CA 0.676 58.894 58.200 0.029 0.000 1.167 306 S CB -2.053 61.157 63.200 0.017 0.000 0.909 306 S HN 0.790 nan 8.310 nan 0.000 0.478 307 N N 0.744 119.478 118.700 0.055 0.000 3.040 307 N HA 0.434 5.173 4.740 -0.000 0.000 0.339 307 N C 0.475 176.015 175.510 0.049 0.000 1.387 307 N CA -0.514 52.583 53.050 0.078 0.000 0.745 307 N CB 0.520 39.096 38.487 0.148 0.000 1.237 307 N HN 0.242 nan 8.380 nan 0.000 0.565 308 E N 0.717 120.948 120.200 0.052 0.000 3.157 308 E HA 0.373 4.723 4.350 -0.000 0.000 0.203 308 E C -0.789 175.833 176.600 0.037 0.000 0.982 308 E CA -0.236 56.180 56.400 0.026 0.000 1.217 308 E CB -0.571 29.127 29.700 -0.004 0.000 1.123 308 E HN 0.370 nan 8.360 nan 0.000 0.457 309 I N 1.357 121.957 120.570 0.051 0.000 2.556 309 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 309 I C 1.577 177.713 176.117 0.031 0.000 1.114 309 I CA -0.013 61.314 61.300 0.045 0.000 1.418 309 I CB 0.922 38.944 38.000 0.037 0.000 1.394 309 I HN 0.138 nan 8.210 nan 0.000 0.552 310 R N 3.232 123.747 120.500 0.024 0.000 2.146 310 R HA 0.144 4.484 4.340 -0.000 0.000 0.206 310 R C 0.144 176.453 176.300 0.016 0.000 1.049 310 R CA 0.481 56.591 56.100 0.017 0.000 1.029 310 R CB 0.375 30.680 30.300 0.009 0.000 0.949 310 R HN 0.790 nan 8.270 nan 0.000 0.471 311 S N -0.181 115.527 115.700 0.014 0.000 2.550 311 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 311 S C -0.886 173.714 174.600 0.000 0.000 1.145 311 S CA -0.964 57.241 58.200 0.008 0.000 0.852 311 S CB 1.902 65.106 63.200 0.006 0.000 1.119 311 S HN 0.024 nan 8.310 nan 0.000 0.465 312 L N 1.621 122.841 121.223 -0.006 0.000 2.356 312 L HA 0.560 4.900 4.340 -0.000 0.000 0.277 312 L C -0.112 176.748 176.870 -0.016 0.000 0.996 312 L CA -0.696 54.133 54.840 -0.018 0.000 0.822 312 L CB 1.550 43.595 42.059 -0.023 0.000 1.256 312 L HN 0.856 nan 8.230 nan 0.000 0.413 313 C N 0.795 120.083 119.300 -0.020 0.000 1.709 313 C HA 0.269 4.728 4.460 -0.000 0.000 0.229 313 C C 0.528 175.505 174.990 -0.022 0.000 3.002 313 C CA -0.497 58.511 59.018 -0.017 0.000 1.897 313 C CB 0.724 28.456 27.740 -0.014 0.000 2.506 313 C HN 0.694 nan 8.230 nan 0.000 0.288 314 D N 1.067 121.454 120.400 -0.022 0.000 2.339 314 D HA 0.343 4.983 4.640 -0.000 0.000 0.245 314 D C -0.626 175.655 176.300 -0.031 0.000 1.115 314 D CA 0.404 54.390 54.000 -0.023 0.000 0.917 314 D CB 0.560 41.349 40.800 -0.020 0.000 1.192 314 D HN 0.282 nan 8.370 nan 0.000 0.428 315 L N 1.899 123.103 121.223 -0.032 0.000 2.352 315 L HA 0.344 4.683 4.340 -0.000 0.000 0.269 315 L C -2.123 174.725 176.870 -0.037 0.000 1.034 315 L CA -1.929 52.887 54.840 -0.040 0.000 0.806 315 L CB 1.118 43.154 42.059 -0.038 0.000 1.244 315 L HN 0.111 nan 8.230 nan 0.000 0.447 316 P HA 0.117 nan 4.420 nan 0.000 0.268 316 P C -2.321 174.965 177.300 -0.024 0.000 1.204 316 P CA -1.174 61.900 63.100 -0.043 0.000 0.768 316 P CB 0.097 31.757 31.700 -0.067 0.000 0.842 317 P HA -0.057 nan 4.420 nan 0.000 0.236 317 P C 1.081 178.396 177.300 0.024 0.000 1.177 317 P CA 0.768 63.869 63.100 0.002 0.000 0.773 317 P CB -0.107 31.592 31.700 -0.000 0.000 0.878 318 S N -1.224 114.498 115.700 0.036 0.000 2.522 318 S HA 0.006 4.475 4.470 -0.000 0.000 0.227 318 S C 0.829 175.528 174.600 0.165 0.000 0.986 318 S CA -0.135 58.133 58.200 0.112 0.000 0.929 318 S CB -1.119 62.140 63.200 0.098 0.000 0.769 318 S HN -0.009 nan 8.310 nan 0.000 0.529 319 L N 2.603 123.873 121.223 0.077 0.000 2.534 319 L HA 0.194 4.534 4.340 -0.000 0.000 0.271 319 L C 0.948 177.864 176.870 0.076 0.000 1.178 319 L CA 0.722 55.606 54.840 0.073 0.000 0.907 319 L CB 0.200 42.262 42.059 0.005 0.000 1.164 319 L HN 0.210 nan 8.230 nan 0.000 0.482 320 E N 2.473 122.736 120.200 0.105 0.000 2.340 320 E HA 0.121 4.470 4.350 -0.000 0.000 0.198 320 E C -0.426 176.218 176.600 0.074 0.000 0.961 320 E CA 0.283 56.721 56.400 0.065 0.000 0.905 320 E CB 0.480 30.199 29.700 0.033 0.000 0.884 320 E HN 0.658 nan 8.360 nan 0.000 0.491 321 E N 0.993 121.262 120.200 0.115 0.000 2.246 321 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 321 E C -1.583 175.009 176.600 -0.013 0.000 0.880 321 E CA -0.620 55.845 56.400 0.110 0.000 0.762 321 E CB 2.534 32.413 29.700 0.298 0.000 1.180 321 E HN -0.127 nan 8.360 nan 0.000 0.416 322 L N 3.463 124.663 121.223 -0.038 0.000 2.343 322 L HA 0.483 4.823 4.340 -0.000 0.000 0.278 322 L C -1.493 175.332 176.870 -0.075 0.000 0.996 322 L CA -0.458 54.328 54.840 -0.091 0.000 0.831 322 L CB 1.291 43.314 42.059 -0.060 0.000 1.232 322 L HN 0.394 nan 8.230 nan 0.000 0.413 323 N N 4.009 122.633 118.700 -0.126 0.000 2.483 323 N HA 0.389 5.128 4.740 -0.000 0.000 0.267 323 N C -0.366 175.112 175.510 -0.053 0.000 0.998 323 N CA -0.264 52.752 53.050 -0.057 0.000 0.918 323 N CB 1.693 40.166 38.487 -0.023 0.000 1.215 323 N HN 0.446 nan 8.380 nan 0.000 0.500 324 V N 1.016 120.925 119.914 -0.008 0.000 2.909 324 V HA 0.391 4.511 4.120 -0.000 0.000 0.362 324 V C 0.697 176.824 176.094 0.055 0.000 1.356 324 V CA -0.723 61.579 62.300 0.003 0.000 1.195 324 V CB -0.120 31.698 31.823 -0.008 0.000 1.256 324 V HN 0.452 nan 8.190 nan 0.000 0.567 325 S N 2.429 118.180 115.700 0.085 0.000 2.563 325 S HA 0.214 4.684 4.470 -0.000 0.000 0.284 325 S C 0.925 175.615 174.600 0.151 0.000 1.331 325 S CA 0.960 59.255 58.200 0.159 0.000 1.047 325 S CB -0.254 63.065 63.200 0.197 0.000 0.859 325 S HN 1.285 nan 8.310 nan 0.000 0.514 326 N N 2.272 121.106 118.700 0.222 0.000 2.727 326 N HA -0.158 4.582 4.740 -0.000 0.000 0.251 326 N C -0.777 174.789 175.510 0.094 0.000 1.040 326 N CA 0.894 54.034 53.050 0.151 0.000 0.712 326 N CB -1.538 36.966 38.487 0.028 0.000 0.912 326 N HN 0.663 nan 8.380 nan 0.000 0.545 327 N N -0.010 118.753 118.700 0.106 0.000 3.369 327 N HA 0.388 5.128 4.740 -0.000 0.000 0.362 327 N C -0.256 175.301 175.510 0.079 0.000 1.523 327 N CA -0.492 52.602 53.050 0.074 0.000 0.684 327 N CB 0.465 38.987 38.487 0.058 0.000 1.796 327 N HN 0.040 nan 8.380 nan 0.000 0.641 328 K N 1.231 121.666 120.400 0.060 0.000 2.896 328 K HA 0.411 4.730 4.320 -0.000 0.000 0.210 328 K C -0.443 176.192 176.600 0.058 0.000 1.116 328 K CA -0.169 56.150 56.287 0.053 0.000 1.050 328 K CB -0.064 32.448 32.500 0.020 0.000 0.812 328 K HN 0.381 nan 8.250 nan 0.000 0.462 329 L N 1.335 122.604 121.223 0.077 0.000 2.417 329 L HA 0.313 4.653 4.340 -0.000 0.000 0.268 329 L C 1.690 178.623 176.870 0.105 0.000 1.158 329 L CA -0.091 54.791 54.840 0.069 0.000 0.819 329 L CB 0.598 42.690 42.059 0.055 0.000 1.112 329 L HN 0.191 nan 8.230 nan 0.000 0.458 330 I N -2.258 118.364 120.570 0.086 0.000 4.323 330 I HA 0.397 4.566 4.170 -0.000 0.000 0.328 330 I C 0.351 176.508 176.117 0.066 0.000 1.310 330 I CA 0.026 61.394 61.300 0.112 0.000 1.186 330 I CB 0.650 38.722 38.000 0.120 0.000 1.130 330 I HN 0.557 nan 8.210 nan 0.000 0.411 331 E N 1.615 121.842 120.200 0.044 0.000 2.356 331 E HA 0.585 4.934 4.350 -0.000 0.000 0.275 331 E C -1.515 175.096 176.600 0.018 0.000 0.904 331 E CA -0.734 55.681 56.400 0.026 0.000 0.757 331 E CB 3.060 32.772 29.700 0.021 0.000 1.232 331 E HN 0.170 nan 8.360 nan 0.000 0.442 332 L N 3.674 124.902 121.223 0.009 0.000 2.360 332 L HA 0.543 4.882 4.340 -0.000 0.000 0.271 332 L C -1.912 174.955 176.870 -0.004 0.000 1.057 332 L CA -1.832 53.009 54.840 0.001 0.000 0.803 332 L CB 1.093 43.150 42.059 -0.004 0.000 1.207 332 L HN 0.463 nan 8.230 nan 0.000 0.445 333 P HA 0.163 nan 4.420 nan 0.000 0.277 333 P C -0.901 176.392 177.300 -0.013 0.000 1.271 333 P CA -0.560 62.534 63.100 -0.011 0.000 0.795 333 P CB 0.558 32.249 31.700 -0.015 0.000 1.101 334 A N 1.110 123.923 122.820 -0.012 0.000 2.540 334 A HA 0.151 4.471 4.320 -0.000 0.000 0.239 334 A C 0.476 178.050 177.584 -0.016 0.000 1.061 334 A CA -0.041 51.989 52.037 -0.013 0.000 0.758 334 A CB -0.900 18.093 19.000 -0.012 0.000 0.991 334 A HN 0.483 nan 8.150 nan 0.000 0.502 335 L N 3.992 125.205 121.223 -0.016 0.000 2.331 335 L HA 0.256 4.595 4.340 -0.000 0.000 0.278 335 L C -1.922 174.939 176.870 -0.014 0.000 1.106 335 L CA -1.759 53.070 54.840 -0.017 0.000 0.824 335 L CB 0.696 42.743 42.059 -0.020 0.000 1.142 335 L HN 0.493 nan 8.230 nan 0.000 0.443 336 P HA -0.019 nan 4.420 nan 0.000 0.264 336 P C -1.848 175.449 177.300 -0.005 0.000 1.183 336 P CA -0.797 62.299 63.100 -0.007 0.000 0.763 336 P CB 0.141 31.839 31.700 -0.004 0.000 0.807 337 P HA -0.124 nan 4.420 nan 0.000 0.218 337 P C 0.762 178.061 177.300 -0.002 0.000 1.149 337 P CA 1.485 64.583 63.100 -0.004 0.000 0.817 337 P CB 0.268 31.967 31.700 -0.002 0.000 0.785 338 R N -0.733 119.770 120.500 0.005 0.000 2.313 338 R HA 0.131 4.471 4.340 -0.000 0.000 0.199 338 R C 0.823 177.124 176.300 0.002 0.000 0.958 338 R CA -0.381 55.721 56.100 0.004 0.000 1.047 338 R CB -0.713 29.597 30.300 0.016 0.000 0.955 338 R HN 0.237 nan 8.270 nan 0.000 0.481 339 L N 2.482 123.705 121.223 0.000 0.000 2.455 339 L HA -0.026 4.314 4.340 -0.000 0.000 0.272 339 L C 1.115 177.981 176.870 -0.006 0.000 1.174 339 L CA 0.759 55.599 54.840 0.001 0.000 0.869 339 L CB 0.616 42.672 42.059 -0.006 0.000 1.130 339 L HN 0.110 nan 8.230 nan 0.000 0.474 340 E N 4.171 124.370 120.200 -0.001 0.000 2.465 340 E HA 0.160 4.509 4.350 -0.000 0.000 0.209 340 E C -0.052 176.538 176.600 -0.016 0.000 0.951 340 E CA 0.011 56.405 56.400 -0.009 0.000 0.997 340 E CB 0.704 30.399 29.700 -0.007 0.000 1.025 340 E HN 0.506 nan 8.360 nan 0.000 0.500 341 R N 1.157 121.652 120.500 -0.008 0.000 2.483 341 R HA 0.424 4.763 4.340 -0.000 0.000 0.303 341 R C -1.596 174.688 176.300 -0.026 0.000 0.987 341 R CA -0.580 55.505 56.100 -0.026 0.000 0.881 341 R CB 1.861 32.164 30.300 0.005 0.000 1.177 341 R HN -0.076 nan 8.270 nan 0.000 0.451 342 L N 5.224 126.416 121.223 -0.050 0.000 2.377 342 L HA 0.513 4.852 4.340 -0.000 0.000 0.270 342 L C -1.447 175.408 176.870 -0.025 0.000 0.991 342 L CA -0.550 54.271 54.840 -0.032 0.000 0.851 342 L CB 1.411 43.454 42.059 -0.027 0.000 1.218 342 L HN 0.508 nan 8.230 nan 0.000 0.420 343 I N 5.473 126.043 120.570 -0.000 0.000 2.359 343 I HA 0.546 4.715 4.170 -0.000 0.000 0.284 343 I C 0.684 176.840 176.117 0.065 0.000 1.018 343 I CA -0.308 61.023 61.300 0.052 0.000 1.173 343 I CB 0.761 38.803 38.000 0.070 0.000 1.326 343 I HN 0.746 nan 8.210 nan 0.000 0.462 344 A N 3.718 126.584 122.820 0.077 0.000 2.592 344 A HA 0.323 4.643 4.320 -0.000 0.000 0.290 344 A C 0.702 178.333 177.584 0.078 0.000 0.998 344 A CA -0.221 51.856 52.037 0.067 0.000 0.983 344 A CB 0.184 19.204 19.000 0.034 0.000 1.240 344 A HN 0.479 nan 8.150 nan 0.000 0.535 345 S N -0.094 115.670 115.700 0.107 0.000 2.559 345 S HA 0.310 4.780 4.470 -0.000 0.000 0.282 345 S C 0.179 174.891 174.600 0.187 0.000 1.336 345 S CA 0.466 58.702 58.200 0.061 0.000 1.037 345 S CB -0.464 62.831 63.200 0.158 0.000 0.853 345 S HN 0.840 nan 8.310 nan 0.000 0.523 346 F N 0.907 120.949 119.950 0.152 0.000 2.891 346 F HA -0.224 4.303 4.527 -0.000 0.000 0.272 346 F C 0.551 176.408 175.800 0.095 0.000 1.004 346 F CA 0.227 58.300 58.000 0.121 0.000 0.938 346 F CB -1.680 37.365 39.000 0.075 0.000 0.939 346 F HN 0.499 nan 8.300 nan 0.000 0.833 347 N N -0.835 117.968 118.700 0.172 0.000 3.379 347 N HA 0.269 5.008 4.740 -0.000 0.000 0.350 347 N C -0.164 175.446 175.510 0.166 0.000 1.553 347 N CA -0.718 52.431 53.050 0.165 0.000 0.712 347 N CB 0.861 39.420 38.487 0.120 0.000 1.880 347 N HN 0.355 nan 8.380 nan 0.000 0.648 348 H N 0.873 119.975 119.070 0.054 0.000 2.507 348 H HA 0.353 4.909 4.556 -0.000 0.000 0.281 348 H C -0.530 174.816 175.328 0.029 0.000 1.160 348 H CA -0.181 55.893 56.048 0.042 0.000 0.981 348 H CB -0.017 29.768 29.762 0.038 0.000 1.665 348 H HN 0.235 nan 8.280 nan 0.000 0.554 349 L N 0.583 121.811 121.223 0.009 0.000 2.349 349 L HA 0.223 4.563 4.340 -0.000 0.000 0.275 349 L C 1.446 178.292 176.870 -0.040 0.000 1.115 349 L CA -0.200 54.644 54.840 0.005 0.000 0.820 349 L CB 1.308 43.370 42.059 0.006 0.000 1.135 349 L HN 0.198 nan 8.230 nan 0.000 0.445 350 A N 2.550 125.360 122.820 -0.017 0.000 2.081 350 A HA 0.162 4.482 4.320 -0.000 0.000 0.214 350 A C 0.579 178.153 177.584 -0.016 0.000 1.158 350 A CA 0.720 52.741 52.037 -0.027 0.000 0.724 350 A CB 0.071 19.067 19.000 -0.007 0.000 0.826 350 A HN 0.810 nan 8.150 nan 0.000 0.463 351 E N -1.579 118.615 120.200 -0.010 0.000 2.390 351 E HA 0.443 4.793 4.350 -0.000 0.000 0.280 351 E C -1.771 174.820 176.600 -0.015 0.000 0.992 351 E CA -0.711 55.682 56.400 -0.011 0.000 0.790 351 E CB 2.476 32.174 29.700 -0.004 0.000 1.248 351 E HN -0.033 nan 8.360 nan 0.000 0.447 352 V N 3.092 122.991 119.914 -0.026 0.000 2.465 352 V HA 0.290 4.410 4.120 -0.000 0.000 0.279 352 V C -1.944 174.131 176.094 -0.031 0.000 1.045 352 V CA -1.328 60.953 62.300 -0.033 0.000 0.938 352 V CB 0.693 32.483 31.823 -0.055 0.000 0.986 352 V HN 0.591 nan 8.190 nan 0.000 0.467 353 P HA 0.137 nan 4.420 nan 0.000 0.274 353 P C -0.055 177.226 177.300 -0.031 0.000 1.260 353 P CA -0.644 62.442 63.100 -0.023 0.000 0.793 353 P CB 0.383 32.072 31.700 -0.018 0.000 1.048 354 E N 0.053 120.237 120.200 -0.027 0.000 2.652 354 E HA -0.017 4.333 4.350 -0.000 0.000 0.255 354 E C -0.544 176.035 176.600 -0.035 0.000 0.952 354 E CA 0.127 56.509 56.400 -0.030 0.000 0.947 354 E CB -0.051 29.637 29.700 -0.021 0.000 0.912 354 E HN 0.236 nan 8.360 nan 0.000 0.489 355 L N 6.764 127.960 121.223 -0.045 0.000 2.334 355 L HA 0.374 4.713 4.340 -0.000 0.000 0.277 355 L C -1.923 174.926 176.870 -0.034 0.000 1.075 355 L CA -2.278 52.535 54.840 -0.045 0.000 0.804 355 L CB 0.632 42.653 42.059 -0.063 0.000 1.174 355 L HN 0.460 nan 8.230 nan 0.000 0.438 356 P HA 0.019 nan 4.420 nan 0.000 0.268 356 P C -0.074 177.213 177.300 -0.022 0.000 1.205 356 P CA -0.351 62.736 63.100 -0.022 0.000 0.771 356 P CB 0.625 32.314 31.700 -0.018 0.000 0.858 357 Q N 1.348 121.138 119.800 -0.017 0.000 2.437 357 Q HA -0.090 4.250 4.340 -0.000 0.000 0.210 357 Q C 0.424 176.415 176.000 -0.015 0.000 0.972 357 Q CA 1.297 57.090 55.803 -0.016 0.000 0.903 357 Q CB -0.592 28.139 28.738 -0.011 0.000 0.967 357 Q HN 0.473 nan 8.270 nan 0.000 0.486 358 N N -0.681 118.010 118.700 -0.015 0.000 2.275 358 N HA 0.091 4.830 4.740 -0.000 0.000 0.236 358 N C -0.767 174.732 175.510 -0.018 0.000 1.154 358 N CA -0.195 52.846 53.050 -0.015 0.000 0.866 358 N CB 0.401 38.879 38.487 -0.014 0.000 1.093 358 N HN 0.045 nan 8.380 nan 0.000 0.515 359 L N 0.787 121.997 121.223 -0.022 0.000 2.540 359 L HA -0.006 4.334 4.340 -0.000 0.000 0.276 359 L C 1.148 178.003 176.870 -0.024 0.000 1.212 359 L CA 0.893 55.717 54.840 -0.026 0.000 0.893 359 L CB 0.733 42.771 42.059 -0.035 0.000 1.138 359 L HN 0.007 nan 8.230 nan 0.000 0.491 360 K N 1.892 122.278 120.400 -0.024 0.000 2.350 360 K HA 0.171 4.491 4.320 -0.000 0.000 0.196 360 K C -0.123 176.459 176.600 -0.029 0.000 1.084 360 K CA 0.282 56.557 56.287 -0.021 0.000 0.967 360 K CB 0.351 32.841 32.500 -0.017 0.000 0.950 360 K HN 0.735 nan 8.250 nan 0.000 0.512 361 Q N 0.939 120.708 119.800 -0.052 0.000 2.304 361 Q HA 0.380 4.720 4.340 -0.000 0.000 0.270 361 Q C -1.957 173.977 176.000 -0.109 0.000 1.035 361 Q CA -0.777 54.968 55.803 -0.098 0.000 0.781 361 Q CB 1.527 30.165 28.738 -0.167 0.000 1.261 361 Q HN 0.032 nan 8.270 nan 0.000 0.444 362 L N 4.691 125.882 121.223 -0.054 0.000 2.372 362 L HA 0.477 4.817 4.340 -0.000 0.000 0.273 362 L C -1.852 175.122 176.870 0.172 0.000 0.989 362 L CA -0.089 54.752 54.840 0.002 0.000 0.841 362 L CB 1.487 43.540 42.059 -0.010 0.000 1.225 362 L HN 0.801 nan 8.230 nan 0.000 0.414 363 H N 4.118 123.179 119.070 -0.014 0.000 2.887 363 H HA 0.498 5.054 4.556 -0.001 0.000 0.300 363 H C -0.725 174.586 175.328 -0.028 0.000 1.038 363 H CA -0.588 55.452 56.048 -0.014 0.000 1.352 363 H CB 2.188 31.962 29.762 0.020 0.000 1.473 363 H HN 0.359 nan 8.280 nan 0.000 0.503 364 V N 4.407 124.348 119.914 0.045 0.000 2.792 364 V HA 0.074 4.194 4.120 -0.000 0.000 0.360 364 V C -0.267 175.762 176.094 -0.109 0.000 1.306 364 V CA -0.481 61.807 62.300 -0.019 0.000 1.245 364 V CB 0.066 31.876 31.823 -0.022 0.000 1.382 364 V HN 0.698 nan 8.190 nan 0.000 0.636 365 E N 0.309 120.397 120.200 -0.186 0.000 2.392 365 E HA 0.296 4.646 4.350 -0.000 0.000 0.264 365 E C -0.445 175.891 176.600 -0.440 0.000 1.024 365 E CA -0.374 55.788 56.400 -0.398 0.000 0.903 365 E CB 0.082 29.512 29.700 -0.450 0.000 0.963 365 E HN 0.432 nan 8.360 nan 0.000 0.432 366 Y N 0.134 120.224 120.300 -0.349 0.000 3.018 366 Y HA -0.270 4.280 4.550 -0.000 0.000 0.181 366 Y C -0.536 175.209 175.900 -0.258 0.000 1.542 366 Y CA 0.410 58.292 58.100 -0.362 0.000 0.975 366 Y CB -1.796 36.252 38.460 -0.687 0.000 1.379 366 Y HN 0.583 nan 8.280 nan 0.000 0.423 367 N N 1.264 119.918 118.700 -0.076 0.000 2.229 367 N HA 0.329 5.069 4.740 -0.000 0.000 0.298 367 N C -2.684 172.770 175.510 -0.094 0.000 1.114 367 N CA -1.751 51.258 53.050 -0.067 0.000 0.776 367 N CB 2.588 41.040 38.487 -0.059 0.000 1.501 367 N HN -0.167 nan 8.380 nan 0.000 0.474 368 P HA 0.075 nan 4.420 nan 0.000 0.231 368 P C -0.296 176.942 177.300 -0.103 0.000 1.756 368 P CA -0.292 62.714 63.100 -0.158 0.000 0.990 368 P CB -0.271 31.234 31.700 -0.324 0.000 1.973 369 L N 2.006 123.187 121.223 -0.070 0.000 2.433 369 L HA 0.131 4.471 4.340 -0.000 0.000 0.275 369 L C 1.904 178.761 176.870 -0.022 0.000 1.128 369 L CA 0.214 55.029 54.840 -0.042 0.000 0.875 369 L CB 0.079 42.118 42.059 -0.034 0.000 1.171 369 L HN 0.079 nan 8.230 nan 0.000 0.463 370 R N 2.381 122.872 120.500 -0.015 0.000 2.096 370 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 370 R C -0.228 176.082 176.300 0.017 0.000 1.134 370 R CA 1.538 57.638 56.100 -0.001 0.000 0.917 370 R CB 0.165 30.467 30.300 0.003 0.000 0.832 370 R HN 0.680 nan 8.270 nan 0.000 0.430 371 E N -0.597 119.621 120.200 0.031 0.000 2.369 371 E HA 0.134 4.483 4.350 -0.000 0.000 0.270 371 E C -1.271 175.392 176.600 0.106 0.000 0.909 371 E CA -0.897 55.547 56.400 0.073 0.000 0.775 371 E CB 1.318 31.062 29.700 0.074 0.000 1.270 371 E HN -0.000 nan 8.360 nan 0.000 0.445 372 F N 4.049 123.982 119.950 -0.028 0.000 2.571 372 F HA 0.110 4.636 4.527 -0.001 0.000 0.390 372 F C -1.917 173.871 175.800 -0.020 0.000 1.043 372 F CA -1.195 56.788 58.000 -0.028 0.000 1.164 372 F CB 0.352 39.336 39.000 -0.026 0.000 1.049 372 F HN 0.185 nan 8.300 nan 0.000 0.552 373 P HA 0.047 nan 4.420 nan 0.000 0.274 373 P C -1.225 175.788 177.300 -0.478 0.000 1.237 373 P CA -0.322 62.626 63.100 -0.253 0.000 0.793 373 P CB 0.606 32.184 31.700 -0.204 0.000 0.977 374 D N 1.126 121.393 120.400 -0.222 0.000 2.368 374 D HA 0.062 4.701 4.640 -0.000 0.000 0.268 374 D C -0.047 176.126 176.300 -0.211 0.000 1.298 374 D CA -0.167 53.735 54.000 -0.163 0.000 0.938 374 D CB -0.214 40.562 40.800 -0.040 0.000 1.101 374 D HN 0.033 nan 8.370 nan 0.000 0.509 375 I N 6.556 126.962 120.570 -0.274 0.000 2.452 375 I HA 0.173 4.343 4.170 -0.000 0.000 0.287 375 I C -1.570 174.499 176.117 -0.081 0.000 1.079 375 I CA -2.925 58.259 61.300 -0.194 0.000 1.387 375 I CB -0.154 37.735 38.000 -0.186 0.000 1.404 375 I HN 0.387 nan 8.210 nan 0.000 0.522 376 P HA 0.091 nan 4.420 nan 0.000 0.269 376 P C 0.547 177.835 177.300 -0.020 0.000 1.209 376 P CA -0.229 62.851 63.100 -0.034 0.000 0.776 376 P CB 1.034 32.714 31.700 -0.033 0.000 0.876 377 E N 0.582 120.778 120.200 -0.008 0.000 2.401 377 E HA -0.131 4.218 4.350 -0.000 0.000 0.199 377 E C 1.472 178.071 176.600 -0.002 0.000 1.023 377 E CA 1.079 57.479 56.400 0.000 0.000 0.859 377 E CB -0.020 29.682 29.700 0.003 0.000 0.780 377 E HN 0.469 nan 8.360 nan 0.000 0.523 378 S N -0.708 114.988 115.700 -0.008 0.000 2.461 378 S HA -0.001 4.468 4.470 -0.000 0.000 0.228 378 S C 0.959 175.555 174.600 -0.007 0.000 1.005 378 S CA -0.149 58.046 58.200 -0.008 0.000 0.942 378 S CB 0.118 63.311 63.200 -0.011 0.000 0.776 378 S HN -0.048 nan 8.310 nan 0.000 0.514 379 V N 3.535 123.443 119.914 -0.010 0.000 2.434 379 V HA 0.023 4.142 4.120 -0.000 0.000 0.281 379 V C 0.863 176.960 176.094 0.005 0.000 1.005 379 V CA 0.501 62.796 62.300 -0.009 0.000 1.089 379 V CB -0.201 31.610 31.823 -0.019 0.000 0.978 379 V HN 0.537 nan 8.190 nan 0.000 0.474 380 E N 2.449 122.654 120.200 0.009 0.000 2.489 380 E HA 0.133 4.483 4.350 -0.000 0.000 0.204 380 E C 0.070 176.691 176.600 0.035 0.000 1.006 380 E CA -0.095 56.317 56.400 0.019 0.000 0.936 380 E CB 0.662 30.371 29.700 0.014 0.000 1.002 380 E HN 0.676 nan 8.360 nan 0.000 0.488 381 D N 1.067 121.493 120.400 0.045 0.000 2.686 381 D HA 0.228 4.867 4.640 -0.000 0.000 0.249 381 D C -1.548 174.831 176.300 0.133 0.000 1.260 381 D CA -0.540 53.517 54.000 0.096 0.000 0.910 381 D CB 1.331 42.195 40.800 0.108 0.000 1.323 381 D HN -0.091 nan 8.370 nan 0.000 0.561 382 L N 4.010 125.315 121.223 0.136 0.000 2.410 382 L HA 0.599 4.938 4.340 -0.000 0.000 0.270 382 L C -1.113 175.796 176.870 0.065 0.000 0.983 382 L CA -0.457 54.457 54.840 0.124 0.000 0.822 382 L CB 1.652 43.748 42.059 0.062 0.000 1.285 382 L HN 0.538 nan 8.230 nan 0.000 0.409 383 R N 5.947 126.469 120.500 0.037 0.000 2.532 383 R HA 0.757 5.097 4.340 -0.000 0.000 0.297 383 R C -1.096 175.151 176.300 -0.087 0.000 0.984 383 R CA -0.648 55.382 56.100 -0.117 0.000 0.884 383 R CB 2.630 32.712 30.300 -0.363 0.000 1.182 383 R HN 0.593 nan 8.270 nan 0.000 0.442 384 M N 1.947 121.484 119.600 -0.105 0.000 2.446 384 M HA 0.472 4.952 4.480 -0.000 0.000 0.294 384 M C -0.906 175.283 176.300 -0.185 0.000 1.158 384 M CA -0.925 54.309 55.300 -0.111 0.000 0.899 384 M CB 2.698 35.289 32.600 -0.015 0.000 1.687 384 M HN 0.544 nan 8.290 nan 0.000 0.455 385 N N -0.152 118.398 118.700 -0.250 0.000 3.261 385 N HA 0.612 5.352 4.740 -0.000 0.000 0.248 385 N C -1.983 173.369 175.510 -0.263 0.000 1.498 385 N CA -0.192 52.659 53.050 -0.332 0.000 0.884 385 N CB 2.408 40.455 38.487 -0.733 0.000 1.428 385 N HN 0.779 nan 8.380 nan 0.000 0.517 386 S N 0.000 115.583 115.700 -0.195 0.000 2.498 386 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 386 S CA 0.000 58.161 58.200 -0.065 0.000 1.107 386 S CB 0.000 63.172 63.200 -0.046 0.000 0.593 386 S HN 0.000 nan 8.310 nan 0.000 0.517