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 2qfv_1_B DATA FIRST_RESID 4 DATA SEQUENCE KIKVKQPVVE LDGDEMTRII WDKIKKKLIL PYLDVDLKYY DLSVESRDAT DATA SEQUENCE SDKITQDAAE AIKKYGVGIK CATITPDEAR VKEFNLHKMW KSPNGTIRNI DATA SEQUENCE LGGTVFREPI VIPRIPRLVP RWEKPIIIGR HAHGDQYKAT DTLIPGPGSL DATA SEQUENCE ELVYKPSDPT TAQPQTLKVY DYKGSGVAMA MYNTDESIEG FAHSSFKLAI DATA SEQUENCE DKKLNLFLST KNTILKKYDG RFKDIFQEVY EAQYKSKFEQ LGIHYEHRLI DATA SEQUENCE DDMVAQMIKS KGGFIMALKN YDGDVQSDIV AQGFGSLGLM TSILVTPDGK DATA SEQUENCE TFESEAAHGT VTRHYRKYQK GEETSTNSIA SIFAWSRGLL KRGELDNTPA DATA SEQUENCE LCKFANILES ATLNTVQQDG IMTKDLALAC GNNERSAYVT TEEFLDAVEK DATA SEQUENCE RLQKEIKS 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.564 176.600 -0.061 0.000 0.988 4 K CA 0.000 56.244 56.287 -0.071 0.000 0.838 4 K CB 0.000 32.444 32.500 -0.093 0.000 1.064 5 I N 2.403 122.921 120.570 -0.088 0.000 2.371 5 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 5 I C -0.091 175.984 176.117 -0.070 0.000 1.028 5 I CA -0.370 60.885 61.300 -0.075 0.000 1.345 5 I CB 0.803 38.737 38.000 -0.110 0.000 1.407 5 I HN 0.203 nan 8.210 nan 0.000 0.501 6 K N 5.736 126.113 120.400 -0.038 0.000 2.262 6 K HA 0.369 4.689 4.320 -0.000 0.000 0.282 6 K C -0.818 175.775 176.600 -0.012 0.000 1.066 6 K CA -0.528 55.743 56.287 -0.026 0.000 0.901 6 K CB 1.500 33.992 32.500 -0.015 0.000 1.089 6 K HN 0.350 nan 8.250 nan 0.000 0.476 7 V N 5.089 124.997 119.914 -0.010 0.000 2.372 7 V HA 0.007 4.127 4.120 -0.000 0.000 0.261 7 V C 1.574 177.681 176.094 0.021 0.000 1.055 7 V CA -0.172 62.134 62.300 0.011 0.000 0.930 7 V CB 0.687 32.520 31.823 0.017 0.000 1.031 7 V HN 0.807 nan 8.190 nan 0.000 0.479 8 K N 3.748 124.166 120.400 0.029 0.000 1.988 8 K HA -0.157 4.163 4.320 -0.000 0.000 0.221 8 K C 0.951 177.582 176.600 0.052 0.000 1.053 8 K CA 1.390 57.699 56.287 0.037 0.000 0.959 8 K CB 0.120 32.645 32.500 0.041 0.000 0.728 8 K HN 0.613 nan 8.250 nan 0.000 0.447 9 Q N 0.522 120.363 119.800 0.068 0.000 2.260 9 Q HA 0.292 4.632 4.340 -0.000 0.000 0.238 9 Q C -2.289 173.748 176.000 0.061 0.000 0.948 9 Q CA -2.230 53.631 55.803 0.097 0.000 0.895 9 Q CB 0.964 29.783 28.738 0.136 0.000 1.218 9 Q HN 0.188 nan 8.270 nan 0.000 0.470 10 P HA 0.137 nan 4.420 nan 0.000 0.275 10 P C -0.831 176.408 177.300 -0.102 0.000 1.228 10 P CA -0.207 62.814 63.100 -0.132 0.000 0.786 10 P CB 0.704 32.125 31.700 -0.466 0.000 0.927 11 V N 3.912 123.791 119.914 -0.059 0.000 2.435 11 V HA 0.195 4.315 4.120 -0.000 0.000 0.290 11 V C 0.081 176.171 176.094 -0.006 0.000 1.030 11 V CA -0.668 61.635 62.300 0.004 0.000 0.881 11 V CB 1.962 33.824 31.823 0.065 0.000 0.983 11 V HN 0.220 nan 8.190 nan 0.000 0.445 12 V N 4.824 124.746 119.914 0.013 0.000 2.432 12 V HA 0.310 4.430 4.120 -0.000 0.000 0.271 12 V C 0.265 176.393 176.094 0.056 0.000 1.046 12 V CA -0.235 62.098 62.300 0.054 0.000 0.945 12 V CB 1.180 33.034 31.823 0.052 0.000 0.992 12 V HN 0.912 nan 8.190 nan 0.000 0.471 13 E N 5.553 125.836 120.200 0.138 0.000 2.145 13 E HA 0.496 4.846 4.350 -0.000 0.000 0.270 13 E C -1.459 175.208 176.600 0.110 0.000 0.906 13 E CA -0.639 55.857 56.400 0.160 0.000 0.761 13 E CB 1.371 31.278 29.700 0.346 0.000 1.116 13 E HN 0.611 nan 8.360 nan 0.000 0.408 14 L N 3.885 125.103 121.223 -0.010 0.000 2.305 14 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 14 L C 0.056 176.728 176.870 -0.331 0.000 1.013 14 L CA -0.949 53.789 54.840 -0.170 0.000 0.819 14 L CB 1.300 43.236 42.059 -0.205 0.000 1.227 14 L HN 0.470 nan 8.230 nan 0.000 0.417 15 D N 1.677 121.871 120.400 -0.343 0.000 2.264 15 D HA 0.493 5.133 4.640 -0.000 0.000 0.249 15 D C 0.167 176.231 176.300 -0.393 0.000 1.070 15 D CA 0.142 53.915 54.000 -0.378 0.000 0.912 15 D CB 2.344 43.114 40.800 -0.050 0.000 1.193 15 D HN 0.649 nan 8.370 nan 0.000 0.427 16 G N 1.385 109.921 108.800 -0.441 0.000 3.099 16 G HA2 0.558 4.518 3.960 -0.000 0.000 0.151 16 G HA3 0.558 4.518 3.960 -0.000 0.000 0.151 16 G C -1.006 173.767 174.900 -0.212 0.000 1.265 16 G CA -0.486 44.421 45.100 -0.321 0.000 0.981 16 G HN 0.584 nan 8.290 nan 0.000 0.601 17 D N -1.769 118.511 120.400 -0.200 0.000 2.636 17 D HA 0.525 5.165 4.640 -0.000 0.000 0.275 17 D C 0.050 176.197 176.300 -0.255 0.000 1.130 17 D CA -0.647 53.238 54.000 -0.192 0.000 1.031 17 D CB 1.280 41.959 40.800 -0.201 0.000 1.451 17 D HN 0.559 nan 8.370 nan 0.000 0.505 18 E N -1.533 118.395 120.200 -0.454 0.000 3.492 18 E HA -0.376 3.974 4.350 -0.000 0.000 0.303 18 E C 0.887 177.170 176.600 -0.527 0.000 1.507 18 E CA 1.004 56.800 56.400 -1.006 0.000 2.055 18 E CB -0.688 28.583 29.700 -0.715 0.000 1.950 18 E HN 0.535 nan 8.360 nan 0.000 0.470 19 M N 0.862 120.315 119.600 -0.245 0.000 2.082 19 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 19 M C 2.378 178.695 176.300 0.030 0.000 1.069 19 M CA 3.072 58.395 55.300 0.038 0.000 1.102 19 M CB -0.702 31.975 32.600 0.130 0.000 1.336 19 M HN 0.650 nan 8.290 nan 0.000 0.404 20 T N -2.223 112.353 114.554 0.036 0.000 2.881 20 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 20 T C 1.974 176.763 174.700 0.148 0.000 1.068 20 T CA 1.535 63.712 62.100 0.128 0.000 1.131 20 T CB -0.650 68.290 68.868 0.120 0.000 0.871 20 T HN 0.536 nan 8.240 nan 0.000 0.479 21 R N 0.599 121.122 120.500 0.039 0.000 2.092 21 R HA -0.024 4.316 4.340 -0.000 0.000 0.231 21 R C 2.193 178.599 176.300 0.176 0.000 1.119 21 R CA 1.127 57.275 56.100 0.081 0.000 0.970 21 R CB -0.279 30.021 30.300 -0.001 0.000 0.864 21 R HN 0.350 nan 8.270 nan 0.000 0.440 22 I N 1.985 122.612 120.570 0.095 0.000 2.142 22 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 22 I C 2.524 178.716 176.117 0.124 0.000 1.078 22 I CA 1.379 62.714 61.300 0.058 0.000 1.343 22 I CB -1.215 36.701 38.000 -0.140 0.000 1.046 22 I HN 0.327 nan 8.210 nan 0.000 0.405 23 I N -2.314 118.351 120.570 0.159 0.000 2.493 23 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 23 I C 2.606 178.880 176.117 0.261 0.000 1.160 23 I CA 1.147 62.561 61.300 0.191 0.000 1.445 23 I CB -0.714 37.411 38.000 0.209 0.000 1.086 23 I HN 0.285 nan 8.210 nan 0.000 0.433 24 W N 2.880 124.265 121.300 0.141 0.000 2.355 24 W HA -0.259 4.400 4.660 -0.000 0.000 0.309 24 W C 2.006 178.621 176.519 0.160 0.000 1.206 24 W CA 2.199 59.673 57.345 0.215 0.000 1.284 24 W CB -0.216 29.385 29.460 0.236 0.000 1.145 24 W HN 0.319 nan 8.180 nan 0.000 0.502 25 D N -0.079 120.518 120.400 0.328 0.000 2.144 25 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 25 D C 2.110 178.431 176.300 0.035 0.000 0.978 25 D CA 1.612 55.717 54.000 0.175 0.000 0.833 25 D CB -0.040 40.867 40.800 0.178 0.000 0.961 25 D HN 0.048 nan 8.370 nan 0.000 0.470 26 K N -0.290 120.137 120.400 0.045 0.000 2.097 26 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 26 K C 2.172 178.725 176.600 -0.078 0.000 1.050 26 K CA 0.665 56.953 56.287 0.001 0.000 0.938 26 K CB 0.067 32.591 32.500 0.039 0.000 0.718 26 K HN 0.263 nan 8.250 nan 0.000 0.442 27 I N 1.310 121.800 120.570 -0.132 0.000 2.163 27 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 27 I C 2.572 178.391 176.117 -0.496 0.000 1.081 27 I CA 1.234 62.359 61.300 -0.292 0.000 1.353 27 I CB -0.197 37.589 38.000 -0.357 0.000 1.054 27 I HN 0.123 nan 8.210 nan 0.000 0.407 28 K N 1.501 121.522 120.400 -0.631 0.000 2.020 28 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 28 K C 2.102 178.483 176.600 -0.365 0.000 1.050 28 K CA 1.813 57.677 56.287 -0.705 0.000 0.929 28 K CB -0.016 32.208 32.500 -0.460 0.000 0.714 28 K HN 0.190 nan 8.250 nan 0.000 0.443 29 K N 0.076 120.348 120.400 -0.213 0.000 2.148 29 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 29 K C 2.048 178.585 176.600 -0.105 0.000 1.050 29 K CA 1.401 57.610 56.287 -0.130 0.000 0.942 29 K CB 0.090 32.544 32.500 -0.076 0.000 0.724 29 K HN 0.166 nan 8.250 nan 0.000 0.446 30 K N 0.120 120.460 120.400 -0.099 0.000 2.244 30 K HA 0.127 4.447 4.320 -0.000 0.000 0.200 30 K C 1.752 178.365 176.600 0.021 0.000 1.052 30 K CA 0.510 56.772 56.287 -0.042 0.000 0.980 30 K CB 0.396 32.873 32.500 -0.038 0.000 0.838 30 K HN 0.025 nan 8.250 nan 0.000 0.481 31 L N 0.220 121.414 121.223 -0.047 0.000 2.609 31 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 31 L C 1.512 178.455 176.870 0.120 0.000 1.087 31 L CA -0.065 54.788 54.840 0.023 0.000 0.874 31 L CB 0.158 42.148 42.059 -0.115 0.000 1.114 31 L HN 0.051 nan 8.230 nan 0.000 0.488 32 I N -0.324 120.194 120.570 -0.086 0.000 3.341 32 I HA -0.013 4.157 4.170 -0.000 0.000 0.243 32 I C 2.306 178.362 176.117 -0.101 0.000 1.094 32 I CA 0.668 61.899 61.300 -0.115 0.000 1.507 32 I CB -0.903 36.798 38.000 -0.499 0.000 1.441 32 I HN 0.071 nan 8.210 nan 0.000 0.465 33 L N 1.357 122.483 121.223 -0.163 0.000 2.051 33 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 33 L C -0.360 176.412 176.870 -0.164 0.000 1.076 33 L CA 1.943 56.698 54.840 -0.141 0.000 0.758 33 L CB -2.049 39.931 42.059 -0.132 0.000 0.890 33 L HN 0.195 nan 8.230 nan 0.000 0.433 34 P HA -0.149 nan 4.420 nan 0.000 0.222 34 P C 0.642 177.573 177.300 -0.615 0.000 1.147 34 P CA 1.427 64.285 63.100 -0.404 0.000 0.790 34 P CB 0.034 31.440 31.700 -0.490 0.000 0.780 35 Y N -2.354 117.812 120.300 -0.224 0.000 2.444 35 Y HA 0.285 4.835 4.550 -0.000 0.000 0.252 35 Y C 0.980 176.609 175.900 -0.452 0.000 1.091 35 Y CA -0.228 57.666 58.100 -0.343 0.000 1.276 35 Y CB 0.269 38.445 38.460 -0.472 0.000 1.170 35 Y HN -0.227 nan 8.280 nan 0.000 0.517 36 L N 0.628 121.687 121.223 -0.274 0.000 2.346 36 L HA 0.383 4.722 4.340 -0.000 0.000 0.276 36 L C -0.968 175.819 176.870 -0.138 0.000 1.006 36 L CA -0.894 53.801 54.840 -0.242 0.000 0.817 36 L CB 1.738 43.643 42.059 -0.256 0.000 1.272 36 L HN -0.120 nan 8.230 nan 0.000 0.421 37 D N 2.915 123.254 120.400 -0.103 0.000 2.518 37 D HA 0.314 4.954 4.640 -0.000 0.000 0.230 37 D C -1.087 175.188 176.300 -0.041 0.000 1.138 37 D CA -0.032 53.928 54.000 -0.067 0.000 0.964 37 D CB 1.090 41.856 40.800 -0.057 0.000 1.011 37 D HN 0.190 nan 8.370 nan 0.000 0.517 38 V N 2.680 122.577 119.914 -0.028 0.000 2.680 38 V HA 0.435 4.555 4.120 -0.000 0.000 0.309 38 V C -1.045 175.054 176.094 0.010 0.000 1.052 38 V CA -0.940 61.361 62.300 0.002 0.000 0.908 38 V CB 2.176 34.019 31.823 0.033 0.000 1.001 38 V HN 0.372 nan 8.190 nan 0.000 0.431 39 D N 5.607 126.009 120.400 0.004 0.000 2.441 39 D HA 0.267 4.907 4.640 -0.000 0.000 0.221 39 D C -0.357 175.939 176.300 -0.006 0.000 1.156 39 D CA 0.025 54.020 54.000 -0.008 0.000 0.896 39 D CB 0.190 40.973 40.800 -0.027 0.000 1.028 39 D HN 0.520 nan 8.370 nan 0.000 0.509 40 L N 3.723 124.972 121.223 0.042 0.000 2.295 40 L HA 0.236 4.576 4.340 -0.000 0.000 0.288 40 L C 0.594 177.518 176.870 0.090 0.000 1.079 40 L CA -0.712 54.187 54.840 0.097 0.000 0.830 40 L CB 0.415 42.591 42.059 0.196 0.000 1.200 40 L HN 0.054 nan 8.230 nan 0.000 0.438 41 K N 3.470 123.895 120.400 0.042 0.000 2.294 41 K HA 0.067 4.387 4.320 -0.000 0.000 0.288 41 K C -0.690 176.024 176.600 0.190 0.000 1.072 41 K CA 0.056 56.382 56.287 0.065 0.000 0.960 41 K CB -0.241 32.288 32.500 0.048 0.000 1.043 41 K HN 0.199 nan 8.250 nan 0.000 0.455 42 Y N 3.304 123.577 120.300 -0.044 0.000 2.304 42 Y HA 0.300 4.850 4.550 -0.000 0.000 0.328 42 Y C -1.058 174.691 175.900 -0.251 0.000 1.123 42 Y CA -0.331 57.759 58.100 -0.016 0.000 1.218 42 Y CB 0.576 39.033 38.460 -0.005 0.000 1.207 42 Y HN 0.505 nan 8.280 nan 0.000 0.495 43 Y N 4.308 124.184 120.300 -0.706 0.000 2.332 43 Y HA 0.172 4.722 4.550 -0.000 0.000 0.325 43 Y C -0.722 174.707 175.900 -0.784 0.000 1.054 43 Y CA -1.427 56.338 58.100 -0.559 0.000 1.119 43 Y CB 1.146 39.439 38.460 -0.279 0.000 1.168 43 Y HN 0.552 nan 8.280 nan 0.000 0.439 44 D N 4.151 124.236 120.400 -0.525 0.000 2.338 44 D HA 0.122 4.762 4.640 -0.000 0.000 0.255 44 D C -0.108 176.076 176.300 -0.193 0.000 1.237 44 D CA 0.227 54.032 54.000 -0.324 0.000 0.883 44 D CB 1.056 41.815 40.800 -0.068 0.000 1.087 44 D HN 0.501 nan 8.370 nan 0.000 0.485 45 L N 3.580 124.676 121.223 -0.212 0.000 2.928 45 L HA 0.068 4.408 4.340 -0.000 0.000 0.246 45 L C 0.907 177.660 176.870 -0.196 0.000 1.239 45 L CA 0.036 54.759 54.840 -0.196 0.000 1.035 45 L CB -0.881 41.050 42.059 -0.213 0.000 1.360 45 L HN 0.311 nan 8.230 nan 0.000 0.529 46 S N -1.488 114.111 115.700 -0.168 0.000 2.596 46 S HA 0.166 4.636 4.470 -0.000 0.000 0.260 46 S C 1.678 176.150 174.600 -0.213 0.000 1.336 46 S CA -0.528 57.569 58.200 -0.171 0.000 0.993 46 S CB 1.433 64.569 63.200 -0.106 0.000 0.923 46 S HN 0.039 nan 8.310 nan 0.000 0.567 47 V N 1.429 121.169 119.914 -0.290 0.000 2.287 47 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 47 V C 2.617 178.543 176.094 -0.280 0.000 1.053 47 V CA 2.364 64.429 62.300 -0.392 0.000 1.027 47 V CB -1.537 29.767 31.823 -0.865 0.000 0.646 47 V HN 0.843 nan 8.190 nan 0.000 0.447 48 E N 0.445 120.529 120.200 -0.195 0.000 2.031 48 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 48 E C 2.484 179.036 176.600 -0.080 0.000 0.994 48 E CA 1.638 57.994 56.400 -0.073 0.000 0.800 48 E CB -0.719 28.988 29.700 0.011 0.000 0.752 48 E HN 0.490 nan 8.360 nan 0.000 0.447 49 S N -0.081 115.564 115.700 -0.092 0.000 2.359 49 S HA -0.190 4.279 4.470 -0.000 0.000 0.224 49 S C 1.943 176.446 174.600 -0.162 0.000 1.035 49 S CA 1.345 59.490 58.200 -0.093 0.000 1.018 49 S CB -0.068 63.082 63.200 -0.084 0.000 0.876 49 S HN 0.125 nan 8.310 nan 0.000 0.448 50 R N 0.603 120.961 120.500 -0.236 0.000 2.081 50 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 50 R C 2.193 178.150 176.300 -0.571 0.000 1.131 50 R CA 1.612 57.478 56.100 -0.389 0.000 0.960 50 R CB -0.452 29.604 30.300 -0.407 0.000 0.856 50 R HN 0.540 nan 8.270 nan 0.000 0.436 51 D N 0.173 120.339 120.400 -0.390 0.000 2.312 51 D HA -0.067 4.573 4.640 -0.000 0.000 0.211 51 D C 1.308 177.592 176.300 -0.026 0.000 0.964 51 D CA 0.802 54.687 54.000 -0.192 0.000 0.877 51 D CB 0.275 41.144 40.800 0.115 0.000 0.924 51 D HN 0.242 nan 8.370 nan 0.000 0.515 52 A N 0.028 122.807 122.820 -0.068 0.000 2.123 52 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 52 A C 1.915 179.483 177.584 -0.026 0.000 1.152 52 A CA 1.358 53.400 52.037 0.009 0.000 0.728 52 A CB -0.170 18.832 19.000 0.005 0.000 0.814 52 A HN 0.330 nan 8.150 nan 0.000 0.464 53 T N -4.977 109.500 114.554 -0.129 0.000 3.132 53 T HA 0.307 4.657 4.350 -0.000 0.000 0.274 53 T C 0.403 174.982 174.700 -0.202 0.000 1.011 53 T CA 0.677 62.702 62.100 -0.125 0.000 0.899 53 T CB -0.352 68.442 68.868 -0.123 0.000 1.089 53 T HN 0.502 nan 8.240 nan 0.000 0.543 54 S N 1.956 117.471 115.700 -0.309 0.000 3.641 54 S HA -0.163 4.307 4.470 -0.000 0.000 0.346 54 S C 0.415 174.543 174.600 -0.787 0.000 1.074 54 S CA 0.878 58.800 58.200 -0.463 0.000 1.026 54 S CB -2.033 61.183 63.200 0.028 0.000 0.908 54 S HN 0.870 nan 8.310 nan 0.000 0.479 55 D N -0.743 119.090 120.400 -0.945 0.000 2.981 55 D HA -0.174 4.466 4.640 -0.000 0.000 0.223 55 D C 0.728 176.853 176.300 -0.291 0.000 1.151 55 D CA 1.715 55.331 54.000 -0.640 0.000 0.827 55 D CB -0.890 39.589 40.800 -0.536 0.000 1.101 55 D HN 0.783 nan 8.370 nan 0.000 0.426 56 K N -0.012 120.252 120.400 -0.226 0.000 2.116 56 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 56 K C 2.182 178.733 176.600 -0.082 0.000 1.052 56 K CA 1.235 57.455 56.287 -0.113 0.000 0.952 56 K CB 0.008 32.465 32.500 -0.070 0.000 0.729 56 K HN 0.299 nan 8.250 nan 0.000 0.446 57 I N 0.789 121.307 120.570 -0.086 0.000 2.361 57 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 57 I C 2.016 178.086 176.117 -0.077 0.000 1.133 57 I CA 1.321 62.612 61.300 -0.014 0.000 1.413 57 I CB -1.305 36.693 38.000 -0.005 0.000 1.073 57 I HN -0.005 nan 8.210 nan 0.000 0.424 58 T N 0.629 115.103 114.554 -0.132 0.000 2.607 58 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 58 T C 1.922 176.532 174.700 -0.150 0.000 1.049 58 T CA 2.162 64.172 62.100 -0.150 0.000 1.162 58 T CB -0.417 68.367 68.868 -0.139 0.000 0.863 58 T HN 0.501 nan 8.240 nan 0.000 0.424 59 Q N 0.473 120.206 119.800 -0.112 0.000 2.050 59 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 59 Q C 2.301 178.231 176.000 -0.118 0.000 0.980 59 Q CA 1.399 57.146 55.803 -0.094 0.000 0.840 59 Q CB -0.194 28.511 28.738 -0.056 0.000 0.898 59 Q HN 0.481 nan 8.270 nan 0.000 0.424 60 D N 0.442 120.783 120.400 -0.099 0.000 2.149 60 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 60 D C 1.778 177.852 176.300 -0.377 0.000 0.990 60 D CA 1.339 55.289 54.000 -0.084 0.000 0.839 60 D CB -0.178 40.693 40.800 0.119 0.000 0.948 60 D HN 0.276 nan 8.370 nan 0.000 0.460 61 A N 1.367 123.838 122.820 -0.582 0.000 1.865 61 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 61 A C 2.394 179.696 177.584 -0.470 0.000 1.191 61 A CA 2.595 54.092 52.037 -0.900 0.000 0.623 61 A CB -0.909 17.752 19.000 -0.566 0.000 0.826 61 A HN 0.248 nan 8.150 nan 0.000 0.444 62 A N -0.359 122.297 122.820 -0.273 0.000 1.883 62 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 62 A C 1.917 179.423 177.584 -0.129 0.000 1.186 62 A CA 1.793 53.732 52.037 -0.164 0.000 0.624 62 A CB -0.572 18.358 19.000 -0.116 0.000 0.822 62 A HN 0.539 nan 8.150 nan 0.000 0.444 63 E N -0.031 120.094 120.200 -0.124 0.000 2.097 63 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 63 E C 2.327 178.894 176.600 -0.056 0.000 1.000 63 E CA 1.336 57.690 56.400 -0.077 0.000 0.804 63 E CB -0.607 29.059 29.700 -0.055 0.000 0.740 63 E HN 0.617 nan 8.360 nan 0.000 0.454 64 A N 1.332 124.109 122.820 -0.072 0.000 1.902 64 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 64 A C 2.327 179.995 177.584 0.140 0.000 1.181 64 A CA 1.043 53.129 52.037 0.081 0.000 0.623 64 A CB -0.626 18.401 19.000 0.044 0.000 0.818 64 A HN 0.157 nan 8.150 nan 0.000 0.443 65 I N -0.612 119.965 120.570 0.012 0.000 2.226 65 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 65 I C 2.535 178.671 176.117 0.032 0.000 1.100 65 I CA 1.817 63.141 61.300 0.040 0.000 1.374 65 I CB -0.255 37.731 38.000 -0.023 0.000 1.057 65 I HN 0.369 nan 8.210 nan 0.000 0.413 66 K N 1.360 121.749 120.400 -0.018 0.000 2.147 66 K HA -0.234 4.086 4.320 -0.000 0.000 0.205 66 K C 2.186 178.750 176.600 -0.061 0.000 1.049 66 K CA 1.408 57.669 56.287 -0.043 0.000 0.936 66 K CB 0.058 32.525 32.500 -0.055 0.000 0.722 66 K HN 0.150 nan 8.250 nan 0.000 0.446 67 K N -0.575 119.775 120.400 -0.085 0.000 2.007 67 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 67 K C 1.510 177.918 176.600 -0.320 0.000 1.047 67 K CA 1.431 57.569 56.287 -0.248 0.000 0.937 67 K CB -0.035 32.234 32.500 -0.384 0.000 0.718 67 K HN 0.149 nan 8.250 nan 0.000 0.438 68 Y N -1.025 119.287 120.300 0.020 0.000 2.510 68 Y HA 0.224 4.774 4.550 -0.000 0.000 0.273 68 Y C 1.516 177.442 175.900 0.043 0.000 1.119 68 Y CA 0.376 58.498 58.100 0.036 0.000 1.286 68 Y CB 1.072 39.563 38.460 0.052 0.000 1.061 68 Y HN 0.439 nan 8.280 nan 0.000 0.542 69 G N -0.218 108.676 108.800 0.156 0.000 3.626 69 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.241 69 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.241 69 G C -0.412 174.577 174.900 0.148 0.000 1.824 69 G CA -0.256 44.918 45.100 0.123 0.000 1.511 69 G HN -0.026 nan 8.290 nan 0.000 0.600 70 V N 2.413 122.447 119.914 0.199 0.000 2.644 70 V HA 0.698 4.818 4.120 -0.000 0.000 0.295 70 V C 0.951 177.111 176.094 0.108 0.000 1.053 70 V CA 0.527 62.944 62.300 0.195 0.000 0.987 70 V CB 1.218 33.151 31.823 0.182 0.000 1.006 70 V HN 1.439 nan 8.190 nan 0.000 0.472 71 G N 3.978 112.824 108.800 0.076 0.000 2.571 71 G HA2 0.700 4.659 3.960 -0.000 0.000 0.304 71 G HA3 0.700 4.659 3.960 -0.000 0.000 0.304 71 G C -1.386 173.496 174.900 -0.030 0.000 1.314 71 G CA -0.524 44.583 45.100 0.011 0.000 0.975 71 G HN 0.402 nan 8.290 nan 0.000 0.485 72 I N 1.096 121.612 120.570 -0.090 0.000 2.410 72 I HA 0.457 4.627 4.170 -0.000 0.000 0.286 72 I C -0.147 175.956 176.117 -0.023 0.000 1.009 72 I CA -1.000 60.205 61.300 -0.157 0.000 1.111 72 I CB 1.391 39.041 38.000 -0.582 0.000 1.262 72 I HN 0.466 nan 8.210 nan 0.000 0.443 73 K N 4.927 125.313 120.400 -0.024 0.000 2.259 73 K HA 0.528 4.848 4.320 -0.000 0.000 0.252 73 K C -1.075 175.214 176.600 -0.518 0.000 0.936 73 K CA -0.370 55.778 56.287 -0.232 0.000 0.810 73 K CB 2.535 34.920 32.500 -0.191 0.000 1.143 73 K HN 0.728 nan 8.250 nan 0.000 0.427 74 C N 3.058 121.721 119.300 -1.061 0.000 2.398 74 C HA 0.688 5.148 4.460 -0.000 0.000 0.364 74 C C 0.501 175.187 174.990 -0.505 0.000 1.219 74 C CA -0.470 57.845 59.018 -1.172 0.000 2.312 74 C CB 0.030 26.794 27.740 -1.627 0.000 2.428 74 C HN 0.905 nan 8.230 nan 0.000 0.564 75 A N 4.088 126.729 122.820 -0.299 0.000 2.531 75 A HA 0.510 4.830 4.320 -0.000 0.000 0.236 75 A C 0.572 178.037 177.584 -0.198 0.000 1.062 75 A CA 0.700 52.621 52.037 -0.192 0.000 0.760 75 A CB -0.067 18.878 19.000 -0.092 0.000 0.995 75 A HN 1.177 nan 8.150 nan 0.000 0.501 76 T N -0.060 114.394 114.554 -0.166 0.000 2.930 76 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 76 T C -0.148 174.481 174.700 -0.118 0.000 1.052 76 T CA -0.658 61.345 62.100 -0.162 0.000 1.017 76 T CB 0.936 69.701 68.868 -0.170 0.000 1.137 76 T HN 0.417 nan 8.240 nan 0.000 0.511 77 I N 1.908 122.401 120.570 -0.128 0.000 2.416 77 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 77 I C 0.320 176.399 176.117 -0.063 0.000 1.051 77 I CA -0.345 60.900 61.300 -0.091 0.000 1.375 77 I CB 1.147 39.067 38.000 -0.134 0.000 1.407 77 I HN 0.694 nan 8.210 nan 0.000 0.516 78 T N 7.958 122.499 114.554 -0.022 0.000 2.728 78 T HA 0.275 4.625 4.350 -0.000 0.000 0.296 78 T C -2.209 172.508 174.700 0.028 0.000 0.940 78 T CA -1.130 60.972 62.100 0.003 0.000 1.013 78 T CB 0.814 69.685 68.868 0.006 0.000 0.912 78 T HN 0.305 nan 8.240 nan 0.000 0.484 79 P HA 0.245 nan 4.420 nan 0.000 0.268 79 P C -0.687 176.638 177.300 0.042 0.000 1.208 79 P CA -0.030 63.108 63.100 0.063 0.000 0.777 79 P CB 0.499 32.258 31.700 0.097 0.000 0.875 80 D N -1.189 119.236 120.400 0.041 0.000 2.710 80 D HA 0.097 4.737 4.640 -0.000 0.000 0.276 80 D C 0.490 176.806 176.300 0.026 0.000 1.267 80 D CA -0.604 53.411 54.000 0.026 0.000 0.772 80 D CB 0.022 40.841 40.800 0.032 0.000 1.299 80 D HN 0.036 nan 8.370 nan 0.000 0.421 81 E N 0.387 120.595 120.200 0.013 0.000 2.113 81 E HA -0.222 4.128 4.350 -0.000 0.000 0.210 81 E C 1.990 178.606 176.600 0.027 0.000 1.040 81 E CA 3.146 59.552 56.400 0.011 0.000 0.847 81 E CB -0.750 28.954 29.700 0.007 0.000 0.755 81 E HN 0.570 nan 8.360 nan 0.000 0.459 82 A N 0.697 123.539 122.820 0.037 0.000 1.858 82 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 82 A C 2.049 179.680 177.584 0.078 0.000 1.190 82 A CA 1.702 53.767 52.037 0.047 0.000 0.617 82 A CB -0.347 18.681 19.000 0.048 0.000 0.827 82 A HN 0.028 nan 8.150 nan 0.000 0.443 83 R N -0.345 120.225 120.500 0.115 0.000 2.152 83 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 83 R C 2.014 178.451 176.300 0.228 0.000 1.117 83 R CA 1.248 57.479 56.100 0.218 0.000 0.981 83 R CB -1.178 29.244 30.300 0.203 0.000 0.870 83 R HN 0.456 nan 8.270 nan 0.000 0.451 84 V N 1.547 121.531 119.914 0.117 0.000 2.427 84 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 84 V C 2.246 178.386 176.094 0.077 0.000 1.051 84 V CA 1.553 63.900 62.300 0.079 0.000 1.048 84 V CB -0.282 31.547 31.823 0.009 0.000 0.666 84 V HN 0.179 nan 8.190 nan 0.000 0.456 85 K N 0.017 120.451 120.400 0.057 0.000 2.116 85 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 85 K C 2.065 178.671 176.600 0.010 0.000 1.052 85 K CA 1.098 57.403 56.287 0.029 0.000 0.952 85 K CB -0.170 32.338 32.500 0.014 0.000 0.729 85 K HN 0.631 nan 8.250 nan 0.000 0.446 86 E N 0.061 120.265 120.200 0.007 0.000 2.031 86 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 86 E C 0.920 177.358 176.600 -0.270 0.000 0.994 86 E CA 1.306 57.615 56.400 -0.151 0.000 0.800 86 E CB -0.012 29.570 29.700 -0.197 0.000 0.752 86 E HN 0.225 nan 8.360 nan 0.000 0.447 87 F N 0.260 120.226 119.950 0.026 0.000 2.695 87 F HA 0.282 4.809 4.527 -0.000 0.000 0.303 87 F C 0.333 176.130 175.800 -0.005 0.000 1.091 87 F CA -0.228 57.785 58.000 0.022 0.000 1.300 87 F CB 0.341 39.361 39.000 0.033 0.000 1.071 87 F HN -0.075 nan 8.300 nan 0.000 0.578 88 N N 1.795 120.570 118.700 0.125 0.000 2.727 88 N HA -0.185 4.554 4.740 -0.000 0.000 0.251 88 N C -0.600 174.903 175.510 -0.011 0.000 1.040 88 N CA 0.369 53.447 53.050 0.047 0.000 0.712 88 N CB -1.303 37.201 38.487 0.028 0.000 0.912 88 N HN 0.279 nan 8.380 nan 0.000 0.545 89 L N 0.947 122.192 121.223 0.038 0.000 2.416 89 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 89 L C 2.179 179.003 176.870 -0.076 0.000 1.161 89 L CA -0.540 54.302 54.840 0.004 0.000 0.845 89 L CB 0.483 42.597 42.059 0.092 0.000 1.119 89 L HN 0.214 nan 8.230 nan 0.000 0.464 90 H N 1.891 121.020 119.070 0.098 0.000 2.293 90 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 90 H C 0.622 175.806 175.328 -0.239 0.000 1.082 90 H CA 1.211 57.255 56.048 -0.006 0.000 1.308 90 H CB 0.111 29.941 29.762 0.112 0.000 1.375 90 H HN 0.469 nan 8.280 nan 0.000 0.495 91 K N 0.084 120.171 120.400 -0.522 0.000 2.328 91 K HA 0.271 4.591 4.320 -0.000 0.000 0.246 91 K C -0.474 175.508 176.600 -1.029 0.000 0.955 91 K CA -0.696 55.069 56.287 -0.870 0.000 0.817 91 K CB 2.033 33.771 32.500 -1.269 0.000 1.208 91 K HN -0.053 nan 8.250 nan 0.000 0.432 92 M N 4.764 124.022 119.600 -0.571 0.000 3.237 92 M HA 0.176 4.656 4.480 -0.000 0.000 0.266 92 M C -1.305 174.825 176.300 -0.284 0.000 1.456 92 M CA -0.450 54.646 55.300 -0.339 0.000 1.593 92 M CB -0.101 32.403 32.600 -0.160 0.000 1.129 92 M HN 0.421 nan 8.290 nan 0.000 0.547 93 W N 4.064 125.362 121.300 -0.002 0.000 2.293 93 W HA 0.020 4.680 4.660 -0.000 0.000 0.342 93 W C 0.455 176.963 176.519 -0.018 0.000 1.274 93 W CA -0.325 57.013 57.345 -0.012 0.000 1.290 93 W CB 0.112 29.555 29.460 -0.028 0.000 1.176 93 W HN 0.398 nan 8.180 nan 0.000 0.570 94 K N 1.792 122.320 120.400 0.213 0.000 2.138 94 K HA 0.185 4.505 4.320 -0.000 0.000 0.251 94 K C 0.497 177.149 176.600 0.087 0.000 1.015 94 K CA -0.808 55.545 56.287 0.110 0.000 0.917 94 K CB 0.812 33.360 32.500 0.081 0.000 1.021 94 K HN 0.397 nan 8.250 nan 0.000 0.485 95 S N 2.574 118.301 115.700 0.044 0.000 2.784 95 S HA -0.019 4.451 4.470 -0.000 0.000 0.322 95 S C -1.281 173.314 174.600 -0.009 0.000 1.234 95 S CA -1.170 57.037 58.200 0.012 0.000 1.064 95 S CB 0.257 63.456 63.200 -0.001 0.000 0.787 95 S HN 0.393 nan 8.310 nan 0.000 0.506 96 P HA -0.110 nan 4.420 nan 0.000 0.218 96 P C 0.920 178.179 177.300 -0.069 0.000 1.149 96 P CA 0.986 64.048 63.100 -0.063 0.000 0.817 96 P CB 0.007 31.647 31.700 -0.100 0.000 0.785 97 N N 0.339 118.999 118.700 -0.067 0.000 2.120 97 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 97 N C 2.190 177.666 175.510 -0.056 0.000 1.024 97 N CA 1.717 54.726 53.050 -0.069 0.000 0.852 97 N CB -1.148 37.298 38.487 -0.069 0.000 1.003 97 N HN 0.207 nan 8.380 nan 0.000 0.424 98 G N 0.710 109.484 108.800 -0.043 0.000 2.433 98 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 98 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 98 G C 1.608 176.492 174.900 -0.027 0.000 1.186 98 G CA 1.495 46.574 45.100 -0.035 0.000 0.779 98 G HN 0.254 nan 8.290 nan 0.000 0.543 99 T N 1.469 116.010 114.554 -0.022 0.000 2.684 99 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 99 T C 2.383 177.061 174.700 -0.037 0.000 1.036 99 T CA 1.210 63.298 62.100 -0.020 0.000 1.148 99 T CB -0.204 68.652 68.868 -0.021 0.000 0.863 99 T HN 0.251 nan 8.240 nan 0.000 0.436 100 I N 0.514 121.051 120.570 -0.055 0.000 2.226 100 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 100 I C 2.849 178.937 176.117 -0.048 0.000 1.100 100 I CA 1.275 62.536 61.300 -0.065 0.000 1.374 100 I CB -0.374 37.578 38.000 -0.080 0.000 1.057 100 I HN 0.132 nan 8.210 nan 0.000 0.413 101 R N 1.228 121.702 120.500 -0.043 0.000 2.096 101 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 101 R C 1.969 178.257 176.300 -0.020 0.000 1.127 101 R CA 1.907 57.986 56.100 -0.034 0.000 0.968 101 R CB -0.248 30.025 30.300 -0.044 0.000 0.861 101 R HN 0.506 nan 8.270 nan 0.000 0.440 102 N N -0.050 118.642 118.700 -0.013 0.000 2.106 102 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 102 N C 1.913 177.422 175.510 -0.002 0.000 1.029 102 N CA 1.344 54.397 53.050 0.005 0.000 0.848 102 N CB -0.082 38.414 38.487 0.015 0.000 1.007 102 N HN 0.188 nan 8.380 nan 0.000 0.423 103 I N 1.126 121.686 120.570 -0.017 0.000 2.226 103 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 103 I C 1.785 177.884 176.117 -0.030 0.000 1.100 103 I CA 1.149 62.435 61.300 -0.024 0.000 1.374 103 I CB -0.099 37.878 38.000 -0.039 0.000 1.057 103 I HN 0.152 nan 8.210 nan 0.000 0.413 104 L N -0.125 121.078 121.223 -0.034 0.000 2.446 104 L HA 0.207 4.547 4.340 -0.000 0.000 0.219 104 L C 1.402 178.255 176.870 -0.029 0.000 1.116 104 L CA 0.336 55.153 54.840 -0.038 0.000 0.844 104 L CB -0.658 41.375 42.059 -0.043 0.000 0.970 104 L HN 0.458 nan 8.230 nan 0.000 0.457 105 G N 0.127 108.918 108.800 -0.015 0.000 2.569 105 G HA2 0.032 3.992 3.960 -0.000 0.000 0.259 105 G HA3 0.032 3.992 3.960 -0.000 0.000 0.259 105 G C 0.355 175.258 174.900 0.006 0.000 1.263 105 G CA -0.269 44.830 45.100 -0.001 0.000 0.928 105 G HN 0.922 nan 8.290 nan 0.000 0.572 106 G N -3.364 105.454 108.800 0.030 0.000 2.758 106 G HA2 0.432 4.392 3.960 -0.000 0.000 0.686 106 G HA3 0.432 4.392 3.960 -0.000 0.000 0.686 106 G C -0.253 174.685 174.900 0.065 0.000 1.389 106 G CA 0.522 45.654 45.100 0.053 0.000 0.845 106 G HN 2.068 nan 8.290 nan 0.000 0.572 107 T N 0.109 114.720 114.554 0.095 0.000 2.856 107 T HA 0.601 4.950 4.350 -0.000 0.000 0.283 107 T C 0.244 174.850 174.700 -0.156 0.000 1.008 107 T CA -0.430 61.657 62.100 -0.023 0.000 0.997 107 T CB 2.008 70.906 68.868 0.051 0.000 0.992 107 T HN 0.941 nan 8.240 nan 0.000 0.454 108 V N 3.724 123.471 119.914 -0.278 0.000 2.432 108 V HA 0.461 4.581 4.120 -0.000 0.000 0.275 108 V C -0.854 174.980 176.094 -0.433 0.000 1.043 108 V CA -0.475 61.693 62.300 -0.219 0.000 0.925 108 V CB 0.224 31.966 31.823 -0.135 0.000 0.985 108 V HN 0.727 nan 8.190 nan 0.000 0.466 109 F N 4.662 124.646 119.950 0.056 0.000 2.444 109 F HA 0.603 5.129 4.527 -0.000 0.000 0.342 109 F C 0.584 176.385 175.800 0.001 0.000 1.121 109 F CA -0.818 57.208 58.000 0.042 0.000 0.997 109 F CB 1.463 40.496 39.000 0.054 0.000 1.130 109 F HN 0.243 nan 8.300 nan 0.000 0.454 110 R N 2.625 123.193 120.500 0.114 0.000 2.207 110 R HA 0.282 4.621 4.340 -0.000 0.000 0.334 110 R C -0.621 175.667 176.300 -0.021 0.000 1.013 110 R CA -0.375 55.739 56.100 0.023 0.000 0.858 110 R CB 1.448 31.737 30.300 -0.018 0.000 1.094 110 R HN 0.731 nan 8.270 nan 0.000 0.457 111 E N 5.303 125.466 120.200 -0.062 0.000 2.185 111 E HA 0.348 4.697 4.350 -0.000 0.000 0.261 111 E C -2.383 174.071 176.600 -0.243 0.000 0.879 111 E CA -2.123 54.185 56.400 -0.154 0.000 0.756 111 E CB 2.239 31.881 29.700 -0.096 0.000 1.152 111 E HN 0.213 nan 8.360 nan 0.000 0.416 112 P HA 0.200 nan 4.420 nan 0.000 0.276 112 P C -0.428 176.626 177.300 -0.410 0.000 1.244 112 P CA -0.498 62.319 63.100 -0.473 0.000 0.801 112 P CB 1.091 32.248 31.700 -0.904 0.000 1.006 113 I N 2.129 122.500 120.570 -0.332 0.000 2.312 113 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 113 I C 0.293 176.304 176.117 -0.177 0.000 1.008 113 I CA -0.846 60.258 61.300 -0.328 0.000 1.226 113 I CB 0.922 38.601 38.000 -0.535 0.000 1.371 113 I HN 0.033 nan 8.210 nan 0.000 0.468 114 V N 7.995 127.851 119.914 -0.097 0.000 2.406 114 V HA 0.350 4.470 4.120 -0.000 0.000 0.272 114 V C 0.430 176.540 176.094 0.027 0.000 1.043 114 V CA -0.365 61.955 62.300 0.033 0.000 0.915 114 V CB 1.407 33.294 31.823 0.107 0.000 0.988 114 V HN 0.421 nan 8.190 nan 0.000 0.466 115 I N 8.473 129.067 120.570 0.041 0.000 2.359 115 I HA 0.294 4.464 4.170 -0.000 0.000 0.284 115 I C -1.030 175.120 176.117 0.055 0.000 1.018 115 I CA -1.840 59.486 61.300 0.042 0.000 1.173 115 I CB 2.197 40.219 38.000 0.036 0.000 1.326 115 I HN 0.457 nan 8.210 nan 0.000 0.462 116 P HA -0.260 nan 4.420 nan 0.000 0.216 116 P C 1.472 178.799 177.300 0.045 0.000 1.154 116 P CA 1.420 64.551 63.100 0.053 0.000 0.865 116 P CB 0.048 31.776 31.700 0.047 0.000 0.789 117 R N -0.362 120.164 120.500 0.042 0.000 2.152 117 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 117 R C 0.601 176.922 176.300 0.034 0.000 1.117 117 R CA 0.766 56.888 56.100 0.037 0.000 0.981 117 R CB -0.201 30.124 30.300 0.041 0.000 0.870 117 R HN 0.089 nan 8.270 nan 0.000 0.451 118 I N 3.475 124.067 120.570 0.037 0.000 2.312 118 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 118 I C -2.252 173.884 176.117 0.032 0.000 1.031 118 I CA -3.124 58.194 61.300 0.032 0.000 1.293 118 I CB 0.858 38.876 38.000 0.030 0.000 1.403 118 I HN -0.084 nan 8.210 nan 0.000 0.484 119 P HA 0.306 nan 4.420 nan 0.000 0.271 119 P C -0.403 176.895 177.300 -0.003 0.000 1.218 119 P CA -0.359 62.743 63.100 0.003 0.000 0.780 119 P CB 0.726 32.419 31.700 -0.011 0.000 0.901 120 R N 1.156 121.640 120.500 -0.027 0.000 2.596 120 R HA 0.380 4.720 4.340 -0.000 0.000 0.267 120 R C 1.442 177.661 176.300 -0.135 0.000 1.026 120 R CA -0.655 55.409 56.100 -0.061 0.000 1.087 120 R CB 0.295 30.534 30.300 -0.102 0.000 1.132 120 R HN 0.394 nan 8.270 nan 0.000 0.531 121 L N 0.549 121.673 121.223 -0.166 0.000 2.141 121 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 121 L C 0.355 177.038 176.870 -0.311 0.000 1.094 121 L CA 1.023 55.746 54.840 -0.195 0.000 0.763 121 L CB -0.042 41.918 42.059 -0.166 0.000 0.908 121 L HN 0.294 nan 8.230 nan 0.000 0.437 122 V N 2.235 121.839 119.914 -0.515 0.000 2.270 122 V HA 0.110 4.230 4.120 -0.000 0.000 0.263 122 V C -0.946 174.828 176.094 -0.533 0.000 1.066 122 V CA -0.951 60.905 62.300 -0.740 0.000 0.857 122 V CB 0.646 31.488 31.823 -1.635 0.000 1.099 122 V HN 0.084 nan 8.190 nan 0.000 0.476 123 P HA -0.231 nan 4.420 nan 0.000 0.217 123 P C 1.275 178.508 177.300 -0.111 0.000 1.148 123 P CA 1.423 64.421 63.100 -0.169 0.000 0.834 123 P CB 0.352 31.978 31.700 -0.122 0.000 0.783 124 R N -2.242 118.181 120.500 -0.129 0.000 2.236 124 R HA -0.022 4.317 4.340 -0.000 0.000 0.208 124 R C 0.589 176.984 176.300 0.157 0.000 1.036 124 R CA 0.198 56.303 56.100 0.008 0.000 1.001 124 R CB -0.256 30.061 30.300 0.029 0.000 0.896 124 R HN 0.230 nan 8.270 nan 0.000 0.464 125 W N 2.828 124.033 121.300 -0.157 0.000 2.605 125 W HA 0.040 4.700 4.660 -0.000 0.000 0.327 125 W C 0.907 177.369 176.519 -0.094 0.000 1.332 125 W CA -0.671 56.549 57.345 -0.208 0.000 1.403 125 W CB -0.127 28.962 29.460 -0.619 0.000 1.452 125 W HN 0.268 nan 8.180 nan 0.000 0.503 126 E N 1.135 121.459 120.200 0.206 0.000 2.601 126 E HA 0.152 4.502 4.350 -0.000 0.000 0.219 126 E C -0.113 176.587 176.600 0.168 0.000 0.964 126 E CA -0.021 56.480 56.400 0.168 0.000 1.050 126 E CB 0.515 30.284 29.700 0.114 0.000 1.068 126 E HN 0.232 nan 8.360 nan 0.000 0.496 127 K N 1.689 122.193 120.400 0.173 0.000 2.422 127 K HA 0.424 4.744 4.320 -0.000 0.000 0.251 127 K C -2.873 173.778 176.600 0.085 0.000 0.933 127 K CA -2.658 53.688 56.287 0.099 0.000 0.798 127 K CB 2.197 34.728 32.500 0.052 0.000 1.238 127 K HN -0.173 nan 8.250 nan 0.000 0.428 128 P HA -0.013 nan 4.420 nan 0.000 0.264 128 P C -0.776 176.308 177.300 -0.359 0.000 1.183 128 P CA 0.459 63.382 63.100 -0.296 0.000 0.763 128 P CB 0.382 31.921 31.700 -0.268 0.000 0.807 129 I N 4.597 124.880 120.570 -0.478 0.000 2.390 129 I HA 0.302 4.472 4.170 -0.000 0.000 0.283 129 I C 0.116 176.009 176.117 -0.373 0.000 1.016 129 I CA -0.519 60.432 61.300 -0.582 0.000 1.151 129 I CB 0.731 38.331 38.000 -0.668 0.000 1.293 129 I HN 0.147 nan 8.210 nan 0.000 0.458 130 I N 7.028 127.450 120.570 -0.246 0.000 2.331 130 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 130 I C -0.468 175.679 176.117 0.051 0.000 0.998 130 I CA -0.601 60.655 61.300 -0.074 0.000 1.267 130 I CB 1.348 39.340 38.000 -0.013 0.000 1.386 130 I HN 0.340 nan 8.210 nan 0.000 0.476 131 I N 5.546 126.161 120.570 0.076 0.000 2.339 131 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 131 I C 0.622 176.825 176.117 0.143 0.000 0.994 131 I CA -0.094 61.271 61.300 0.109 0.000 1.191 131 I CB 1.554 39.574 38.000 0.034 0.000 1.343 131 I HN 0.532 nan 8.210 nan 0.000 0.458 132 G N 5.632 114.554 108.800 0.203 0.000 2.335 132 G HA2 0.546 4.506 3.960 -0.000 0.000 0.316 132 G HA3 0.546 4.506 3.960 -0.000 0.000 0.316 132 G C -0.497 174.390 174.900 -0.022 0.000 1.129 132 G CA -0.670 44.367 45.100 -0.104 0.000 0.899 132 G HN 0.535 nan 8.290 nan 0.000 0.448 133 R N 1.615 121.986 120.500 -0.215 0.000 2.265 133 R HA 0.213 4.553 4.340 -0.000 0.000 0.328 133 R C -0.872 175.227 176.300 -0.335 0.000 0.969 133 R CA -0.843 55.133 56.100 -0.207 0.000 0.832 133 R CB 0.595 30.764 30.300 -0.218 0.000 1.139 133 R HN 0.630 nan 8.270 nan 0.000 0.457 134 H N 3.822 122.449 119.070 -0.740 0.000 3.205 134 H HA 0.192 4.747 4.556 -0.000 0.000 0.262 134 H C -0.146 174.926 175.328 -0.426 0.000 1.333 134 H CA -0.047 55.435 56.048 -0.944 0.000 1.499 134 H CB 0.692 29.623 29.762 -1.385 0.000 1.609 134 H HN 0.678 nan 8.280 nan 0.000 0.498 135 A N 4.372 126.942 122.820 -0.415 0.000 2.579 135 A HA 0.049 4.369 4.320 -0.000 0.000 0.273 135 A C 1.456 178.832 177.584 -0.347 0.000 1.363 135 A CA -0.069 51.726 52.037 -0.404 0.000 0.953 135 A CB -0.837 17.982 19.000 -0.302 0.000 1.034 135 A HN 0.895 nan 8.150 nan 0.000 0.536 136 H N 0.546 119.221 119.070 -0.659 0.000 2.265 136 H HA 0.314 4.869 4.556 -0.000 0.000 0.305 136 H C 0.888 176.044 175.328 -0.287 0.000 1.054 136 H CA 1.518 57.308 56.048 -0.430 0.000 1.296 136 H CB 0.048 29.523 29.762 -0.479 0.000 1.395 136 H HN 0.502 nan 8.280 nan 0.000 0.502 137 G N 0.219 108.680 108.800 -0.565 0.000 1.930 137 G HA2 0.212 4.172 3.960 -0.000 0.000 0.286 137 G HA3 0.212 4.172 3.960 -0.000 0.000 0.286 137 G C -1.156 173.513 174.900 -0.384 0.000 2.113 137 G CA -0.114 44.689 45.100 -0.495 0.000 0.875 137 G HN 0.356 nan 8.290 nan 0.000 0.543 138 D N 0.968 121.315 120.400 -0.088 0.000 2.970 138 D HA 0.089 4.729 4.640 -0.000 0.000 0.236 138 D C 2.082 178.348 176.300 -0.056 0.000 1.415 138 D CA 0.165 54.162 54.000 -0.005 0.000 1.279 138 D CB 0.159 41.040 40.800 0.135 0.000 0.932 138 D HN 0.301 nan 8.370 nan 0.000 0.216 139 Q N -0.201 119.584 119.800 -0.025 0.000 2.291 139 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 139 Q C 1.271 177.095 176.000 -0.293 0.000 0.976 139 Q CA 0.965 56.639 55.803 -0.214 0.000 0.875 139 Q CB -0.213 28.299 28.738 -0.376 0.000 0.927 139 Q HN 0.400 nan 8.270 nan 0.000 0.450 140 Y N -0.684 119.549 120.300 -0.113 0.000 2.502 140 Y HA 0.109 4.659 4.550 -0.000 0.000 0.295 140 Y C 0.957 176.781 175.900 -0.126 0.000 1.193 140 Y CA 0.425 58.463 58.100 -0.103 0.000 1.295 140 Y CB 0.360 38.758 38.460 -0.104 0.000 1.059 140 Y HN -0.145 nan 8.280 nan 0.000 0.514 141 K N -0.209 120.149 120.400 -0.068 0.000 2.817 141 K HA 0.475 4.794 4.320 -0.000 0.000 0.183 141 K C -0.448 176.139 176.600 -0.022 0.000 1.145 141 K CA 0.075 56.324 56.287 -0.063 0.000 1.114 141 K CB -0.011 32.385 32.500 -0.173 0.000 0.767 141 K HN 0.015 nan 8.250 nan 0.000 0.453 142 A N 0.033 122.824 122.820 -0.048 0.000 2.264 142 A HA 0.648 4.968 4.320 -0.000 0.000 0.304 142 A C -0.165 177.428 177.584 0.015 0.000 1.100 142 A CA -0.132 51.901 52.037 -0.007 0.000 0.839 142 A CB 0.401 19.362 19.000 -0.065 0.000 1.121 142 A HN 0.376 nan 8.150 nan 0.000 0.496 143 T N -0.245 114.330 114.554 0.034 0.000 2.792 143 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 143 T C -1.103 173.599 174.700 0.003 0.000 0.990 143 T CA -0.678 61.436 62.100 0.024 0.000 0.960 143 T CB 1.180 70.074 68.868 0.044 0.000 0.939 143 T HN 0.721 nan 8.240 nan 0.000 0.439 144 D N 1.062 121.454 120.400 -0.013 0.000 2.490 144 D HA 0.728 5.368 4.640 -0.000 0.000 0.232 144 D C -0.693 175.597 176.300 -0.018 0.000 1.053 144 D CA -0.615 53.372 54.000 -0.021 0.000 0.914 144 D CB 2.100 42.873 40.800 -0.044 0.000 1.431 144 D HN 0.625 nan 8.370 nan 0.000 0.483 145 T N -0.492 114.052 114.554 -0.018 0.000 2.769 145 T HA 0.493 4.843 4.350 -0.000 0.000 0.306 145 T C -1.339 173.342 174.700 -0.032 0.000 1.400 145 T CA -0.739 61.346 62.100 -0.025 0.000 1.007 145 T CB 0.901 69.754 68.868 -0.026 0.000 1.392 145 T HN 0.364 nan 8.240 nan 0.000 0.500 146 L N 2.455 123.653 121.223 -0.042 0.000 2.357 146 L HA 0.619 4.959 4.340 -0.000 0.000 0.273 146 L C -0.331 176.481 176.870 -0.097 0.000 1.080 146 L CA -1.144 53.665 54.840 -0.051 0.000 0.803 146 L CB 1.131 43.167 42.059 -0.040 0.000 1.174 146 L HN 0.487 nan 8.230 nan 0.000 0.443 147 I N 4.004 124.489 120.570 -0.142 0.000 2.390 147 I HA 0.212 4.382 4.170 -0.000 0.000 0.283 147 I C -1.374 174.640 176.117 -0.171 0.000 1.016 147 I CA -2.061 59.078 61.300 -0.268 0.000 1.151 147 I CB 1.415 39.002 38.000 -0.689 0.000 1.293 147 I HN 0.388 nan 8.210 nan 0.000 0.458 148 P HA -0.057 nan 4.420 nan 0.000 0.218 148 P C 0.646 177.916 177.300 -0.050 0.000 1.148 148 P CA 1.128 64.187 63.100 -0.068 0.000 0.822 148 P CB 1.087 32.754 31.700 -0.056 0.000 0.784 149 G N -1.520 107.238 108.800 -0.070 0.000 2.494 149 G HA2 0.374 4.333 3.960 -0.000 0.000 0.308 149 G HA3 0.374 4.333 3.960 -0.000 0.000 0.308 149 G C -3.300 171.594 174.900 -0.010 0.000 1.263 149 G CA -0.821 44.267 45.100 -0.021 0.000 0.840 149 G HN -0.227 nan 8.290 nan 0.000 0.479 150 P HA 0.461 nan 4.420 nan 0.000 0.262 150 P C 0.344 177.656 177.300 0.020 0.000 1.182 150 P CA 1.280 64.406 63.100 0.043 0.000 0.761 150 P CB 1.069 32.784 31.700 0.024 0.000 0.795 151 G N 0.879 109.707 108.800 0.048 0.000 2.316 151 G HA2 0.425 4.385 3.960 -0.000 0.000 0.296 151 G HA3 0.425 4.385 3.960 -0.000 0.000 0.296 151 G C -1.104 173.849 174.900 0.087 0.000 1.399 151 G CA -0.463 44.656 45.100 0.031 0.000 0.833 151 G HN 0.526 nan 8.290 nan 0.000 0.565 152 S N -1.304 114.436 115.700 0.067 0.000 2.654 152 S HA 0.830 5.300 4.470 -0.000 0.000 0.283 152 S C -0.668 174.019 174.600 0.145 0.000 1.180 152 S CA -0.650 57.607 58.200 0.096 0.000 1.021 152 S CB 1.894 65.123 63.200 0.048 0.000 1.018 152 S HN 1.591 nan 8.310 nan 0.000 0.532 153 L N 0.939 122.281 121.223 0.197 0.000 2.409 153 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 153 L C -1.012 175.948 176.870 0.150 0.000 0.980 153 L CA -0.076 54.894 54.840 0.216 0.000 0.826 153 L CB 1.692 43.996 42.059 0.409 0.000 1.268 153 L HN 0.962 nan 8.230 nan 0.000 0.407 154 E N 4.479 124.745 120.200 0.110 0.000 2.343 154 E HA 0.483 4.833 4.350 -0.000 0.000 0.270 154 E C -1.527 175.126 176.600 0.087 0.000 0.895 154 E CA -0.895 55.559 56.400 0.090 0.000 0.767 154 E CB 2.907 32.649 29.700 0.070 0.000 1.248 154 E HN 0.489 nan 8.360 nan 0.000 0.440 155 L N 2.370 123.646 121.223 0.087 0.000 2.296 155 L HA 0.486 4.826 4.340 -0.000 0.000 0.286 155 L C -1.281 175.649 176.870 0.100 0.000 1.023 155 L CA -0.846 54.051 54.840 0.094 0.000 0.812 155 L CB 1.340 43.457 42.059 0.096 0.000 1.223 155 L HN 0.299 nan 8.230 nan 0.000 0.421 156 V N 4.677 124.653 119.914 0.104 0.000 2.483 156 V HA 0.301 4.421 4.120 -0.000 0.000 0.297 156 V C -1.069 175.114 176.094 0.148 0.000 1.027 156 V CA -0.710 61.654 62.300 0.106 0.000 0.855 156 V CB 1.675 33.535 31.823 0.062 0.000 0.995 156 V HN 0.552 nan 8.190 nan 0.000 0.424 157 Y N 4.664 124.981 120.300 0.029 0.000 2.341 157 Y HA 0.636 5.186 4.550 -0.000 0.000 0.338 157 Y C -0.140 175.770 175.900 0.017 0.000 0.965 157 Y CA -0.626 57.488 58.100 0.023 0.000 1.108 157 Y CB 1.495 39.973 38.460 0.030 0.000 1.180 157 Y HN 0.557 nan 8.280 nan 0.000 0.458 158 K N 8.712 128.724 120.400 -0.647 0.000 2.483 158 K HA 0.338 4.658 4.320 -0.000 0.000 0.256 158 K C -2.742 173.373 176.600 -0.808 0.000 0.961 158 K CA -1.955 53.992 56.287 -0.567 0.000 0.873 158 K CB 1.497 33.844 32.500 -0.256 0.000 1.107 158 K HN 0.505 nan 8.250 nan 0.000 0.432 159 P HA 0.060 nan 4.420 nan 0.000 0.271 159 P C 0.108 177.291 177.300 -0.195 0.000 1.218 159 P CA -0.124 62.711 63.100 -0.441 0.000 0.780 159 P CB 1.407 33.025 31.700 -0.136 0.000 0.901 160 S N 0.451 116.094 115.700 -0.095 0.000 2.368 160 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 160 S C 0.798 175.376 174.600 -0.037 0.000 1.030 160 S CA 1.442 59.609 58.200 -0.055 0.000 0.999 160 S CB -0.448 62.740 63.200 -0.020 0.000 0.844 160 S HN 0.666 nan 8.310 nan 0.000 0.459 161 D N 1.436 121.826 120.400 -0.018 0.000 2.477 161 D HA 0.244 4.883 4.640 -0.000 0.000 0.239 161 D C -2.185 174.112 176.300 -0.005 0.000 1.102 161 D CA -2.440 51.556 54.000 -0.007 0.000 0.901 161 D CB 1.121 41.925 40.800 0.006 0.000 1.026 161 D HN 0.047 nan 8.370 nan 0.000 0.515 162 P HA -0.004 nan 4.420 nan 0.000 0.269 162 P C 0.369 177.670 177.300 0.003 0.000 1.376 162 P CA 0.359 63.451 63.100 -0.013 0.000 0.775 162 P CB 0.322 32.006 31.700 -0.026 0.000 1.345 163 T N -2.363 112.195 114.554 0.007 0.000 2.978 163 T HA 0.060 4.410 4.350 -0.000 0.000 0.248 163 T C 1.473 176.184 174.700 0.017 0.000 1.018 163 T CA 0.875 62.981 62.100 0.010 0.000 1.026 163 T CB 0.166 69.037 68.868 0.006 0.000 1.032 163 T HN 0.125 nan 8.240 nan 0.000 0.485 164 T N 1.252 115.820 114.554 0.024 0.000 2.971 164 T HA 0.602 4.952 4.350 -0.000 0.000 0.252 164 T C 0.447 175.175 174.700 0.046 0.000 1.022 164 T CA 0.059 62.177 62.100 0.030 0.000 0.980 164 T CB 0.489 69.374 68.868 0.029 0.000 1.044 164 T HN 0.339 nan 8.240 nan 0.000 0.501 165 A N 1.217 124.074 122.820 0.061 0.000 2.475 165 A HA 0.726 5.046 4.320 -0.000 0.000 0.301 165 A C -1.139 176.507 177.584 0.104 0.000 1.059 165 A CA -0.882 51.216 52.037 0.102 0.000 0.710 165 A CB 1.348 20.450 19.000 0.170 0.000 1.288 165 A HN 0.251 nan 8.150 nan 0.000 0.408 166 Q N 1.936 121.813 119.800 0.128 0.000 2.222 166 Q HA 0.495 4.835 4.340 -0.000 0.000 0.252 166 Q C -2.290 173.820 176.000 0.182 0.000 0.926 166 Q CA -1.860 54.010 55.803 0.112 0.000 0.899 166 Q CB 1.412 30.202 28.738 0.086 0.000 1.250 166 Q HN 0.593 nan 8.270 nan 0.000 0.441 167 P HA 0.080 nan 4.420 nan 0.000 0.276 167 P C -1.203 176.212 177.300 0.192 0.000 1.261 167 P CA -0.368 62.801 63.100 0.116 0.000 0.800 167 P CB 0.899 32.602 31.700 0.006 0.000 1.066 168 Q N -0.777 119.164 119.800 0.235 0.000 2.289 168 Q HA 0.504 4.844 4.340 -0.000 0.000 0.270 168 Q C -0.933 175.150 176.000 0.137 0.000 1.038 168 Q CA -0.529 55.383 55.803 0.180 0.000 0.812 168 Q CB 2.302 31.157 28.738 0.195 0.000 1.300 168 Q HN 0.383 nan 8.270 nan 0.000 0.427 169 T N 3.077 117.688 114.554 0.094 0.000 3.077 169 T HA 0.476 4.826 4.350 -0.000 0.000 0.359 169 T C -1.199 173.541 174.700 0.067 0.000 1.108 169 T CA -0.380 61.766 62.100 0.076 0.000 1.170 169 T CB -0.143 68.758 68.868 0.055 0.000 1.045 169 T HN 0.426 nan 8.240 nan 0.000 0.505 170 L N 3.851 125.118 121.223 0.074 0.000 2.275 170 L HA 0.587 4.927 4.340 -0.000 0.000 0.288 170 L C 0.677 177.587 176.870 0.066 0.000 1.046 170 L CA -1.173 53.707 54.840 0.066 0.000 0.805 170 L CB 1.059 43.159 42.059 0.068 0.000 1.193 170 L HN 0.228 nan 8.230 nan 0.000 0.426 171 K N 2.347 122.781 120.400 0.058 0.000 2.378 171 K HA 0.111 4.431 4.320 -0.000 0.000 0.288 171 K C 0.634 177.278 176.600 0.075 0.000 1.057 171 K CA 0.023 56.347 56.287 0.061 0.000 0.971 171 K CB 1.537 34.062 32.500 0.043 0.000 0.975 171 K HN 0.451 nan 8.250 nan 0.000 0.475 172 V N 3.952 123.927 119.914 0.101 0.000 2.575 172 V HA 0.031 4.151 4.120 -0.000 0.000 0.242 172 V C 0.080 176.282 176.094 0.180 0.000 1.045 172 V CA 0.505 62.874 62.300 0.115 0.000 1.065 172 V CB -0.308 31.586 31.823 0.119 0.000 0.717 172 V HN 0.736 nan 8.190 nan 0.000 0.467 173 Y N -0.741 119.555 120.300 -0.006 0.000 2.638 173 Y HA 0.401 4.951 4.550 -0.000 0.000 0.334 173 Y C -2.196 173.697 175.900 -0.012 0.000 1.182 173 Y CA -1.544 56.508 58.100 -0.080 0.000 1.102 173 Y CB 1.401 39.706 38.460 -0.258 0.000 1.343 173 Y HN 0.018 nan 8.280 nan 0.000 0.463 174 D N 4.018 123.998 120.400 -0.701 0.000 2.461 174 D HA 0.217 4.857 4.640 -0.000 0.000 0.240 174 D C -1.209 174.629 176.300 -0.770 0.000 1.094 174 D CA -0.084 53.647 54.000 -0.449 0.000 0.868 174 D CB 0.612 41.240 40.800 -0.287 0.000 1.062 174 D HN 0.340 nan 8.370 nan 0.000 0.530 175 Y N 1.511 121.584 120.300 -0.379 0.000 2.425 175 Y HA 0.056 4.605 4.550 -0.000 0.000 0.331 175 Y C 1.815 177.648 175.900 -0.112 0.000 1.157 175 Y CA -0.002 58.020 58.100 -0.131 0.000 1.372 175 Y CB 0.858 39.388 38.460 0.117 0.000 1.253 175 Y HN 0.023 nan 8.280 nan 0.000 0.536 176 K N 1.844 122.286 120.400 0.071 0.000 2.358 176 K HA 0.345 4.664 4.320 -0.000 0.000 0.200 176 K C 0.473 177.126 176.600 0.088 0.000 1.030 176 K CA 0.266 56.577 56.287 0.041 0.000 1.097 176 K CB 0.815 33.317 32.500 0.002 0.000 0.862 176 K HN 0.867 nan 8.250 nan 0.000 0.534 177 G N 0.299 109.197 108.800 0.164 0.000 2.608 177 G HA2 0.256 4.216 3.960 -0.000 0.000 0.291 177 G HA3 0.256 4.216 3.960 -0.000 0.000 0.291 177 G C -1.010 174.001 174.900 0.185 0.000 1.425 177 G CA -0.595 44.587 45.100 0.137 0.000 0.787 177 G HN 0.001 nan 8.290 nan 0.000 0.484 178 S N -1.123 114.641 115.700 0.108 0.000 2.579 178 S HA 0.766 5.236 4.470 -0.000 0.000 0.275 178 S C 0.721 175.406 174.600 0.142 0.000 1.345 178 S CA 0.730 58.974 58.200 0.074 0.000 1.031 178 S CB 1.428 64.644 63.200 0.027 0.000 0.892 178 S HN 2.184 nan 8.310 nan 0.000 0.529 179 G N -0.077 108.788 108.800 0.107 0.000 2.562 179 G HA2 0.511 4.471 3.960 -0.000 0.000 0.190 179 G HA3 0.511 4.471 3.960 -0.000 0.000 0.190 179 G C -1.326 173.638 174.900 0.106 0.000 1.196 179 G CA 0.095 45.302 45.100 0.179 0.000 0.986 179 G HN 1.455 nan 8.290 nan 0.000 0.512 180 V N -0.414 119.611 119.914 0.185 0.000 3.049 180 V HA 0.904 5.024 4.120 -0.000 0.000 0.309 180 V C -0.916 175.273 176.094 0.158 0.000 1.148 180 V CA 0.191 62.546 62.300 0.091 0.000 0.990 180 V CB 1.711 33.551 31.823 0.028 0.000 1.039 180 V HN 2.121 nan 8.190 nan 0.000 0.430 181 A N 6.363 129.234 122.820 0.085 0.000 2.498 181 A HA 0.996 5.316 4.320 -0.000 0.000 0.298 181 A C -1.005 176.597 177.584 0.029 0.000 1.075 181 A CA -0.580 51.520 52.037 0.105 0.000 0.714 181 A CB 2.132 21.218 19.000 0.144 0.000 1.299 181 A HN 1.399 nan 8.150 nan 0.000 0.407 182 M N 1.258 120.866 119.600 0.015 0.000 2.471 182 M HA 0.690 5.170 4.480 -0.000 0.000 0.284 182 M C -1.964 174.334 176.300 -0.004 0.000 1.203 182 M CA -0.444 54.849 55.300 -0.012 0.000 0.915 182 M CB 2.094 34.661 32.600 -0.055 0.000 1.734 182 M HN 1.550 nan 8.290 nan 0.000 0.485 183 A N 5.162 127.989 122.820 0.011 0.000 2.486 183 A HA 0.911 5.231 4.320 -0.000 0.000 0.300 183 A C -1.175 176.447 177.584 0.063 0.000 1.048 183 A CA -0.769 51.292 52.037 0.041 0.000 0.696 183 A CB 1.916 20.963 19.000 0.078 0.000 1.278 183 A HN 1.038 nan 8.150 nan 0.000 0.405 184 M N 0.563 120.214 119.600 0.086 0.000 2.716 184 M HA 0.950 5.429 4.480 -0.000 0.000 0.278 184 M C -1.143 175.342 176.300 0.308 0.000 1.281 184 M CA -0.798 54.573 55.300 0.117 0.000 0.814 184 M CB 2.061 34.646 32.600 -0.025 0.000 1.719 184 M HN 1.184 nan 8.290 nan 0.000 0.457 185 Y N -1.530 118.909 120.300 0.233 0.000 2.705 185 Y HA 0.844 5.394 4.550 -0.000 0.000 0.332 185 Y C -1.910 174.154 175.900 0.272 0.000 1.221 185 Y CA -0.896 57.373 58.100 0.282 0.000 1.059 185 Y CB 1.596 40.154 38.460 0.162 0.000 1.298 185 Y HN 1.004 nan 8.280 nan 0.000 0.459 186 N N -1.218 117.705 118.700 0.372 0.000 2.859 186 N HA 0.587 5.327 4.740 -0.000 0.000 0.250 186 N C -1.953 173.721 175.510 0.274 0.000 1.341 186 N CA -0.563 52.674 53.050 0.313 0.000 0.881 186 N CB 2.307 40.935 38.487 0.235 0.000 1.516 186 N HN 0.988 nan 8.380 nan 0.000 0.503 187 T N -1.707 112.998 114.554 0.252 0.000 2.885 187 T HA 0.371 4.721 4.350 -0.000 0.000 0.285 187 T C 0.040 174.727 174.700 -0.023 0.000 1.019 187 T CA -0.590 61.573 62.100 0.104 0.000 1.010 187 T CB 1.455 70.397 68.868 0.122 0.000 1.022 187 T HN 0.286 nan 8.240 nan 0.000 0.466 188 D N 0.571 120.942 120.400 -0.049 0.000 2.182 188 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 188 D C 1.696 177.958 176.300 -0.063 0.000 0.986 188 D CA 1.305 55.256 54.000 -0.081 0.000 0.847 188 D CB -0.018 40.749 40.800 -0.055 0.000 0.942 188 D HN 0.880 nan 8.370 nan 0.000 0.467 189 E N 0.528 120.704 120.200 -0.040 0.000 2.023 189 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 189 E C 2.034 178.607 176.600 -0.044 0.000 1.003 189 E CA 1.909 58.287 56.400 -0.035 0.000 0.809 189 E CB 0.076 29.756 29.700 -0.034 0.000 0.755 189 E HN 0.276 nan 8.360 nan 0.000 0.449 190 S N 0.533 116.179 115.700 -0.089 0.000 2.368 190 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 190 S C 2.119 176.745 174.600 0.044 0.000 1.030 190 S CA 1.224 59.397 58.200 -0.044 0.000 0.999 190 S CB -0.676 62.360 63.200 -0.273 0.000 0.844 190 S HN 0.344 nan 8.310 nan 0.000 0.459 191 I N 2.148 122.665 120.570 -0.088 0.000 2.208 191 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 191 I C 2.958 179.021 176.117 -0.089 0.000 1.097 191 I CA 1.989 63.142 61.300 -0.244 0.000 1.363 191 I CB -0.469 37.242 38.000 -0.482 0.000 1.051 191 I HN 0.462 nan 8.210 nan 0.000 0.413 192 E N 1.168 121.327 120.200 -0.068 0.000 2.106 192 E HA -0.171 4.178 4.350 -0.000 0.000 0.192 192 E C 2.281 178.909 176.600 0.047 0.000 0.984 192 E CA 1.302 57.679 56.400 -0.039 0.000 0.806 192 E CB -0.181 29.532 29.700 0.021 0.000 0.750 192 E HN 0.486 nan 8.360 nan 0.000 0.458 193 G N 0.475 109.325 108.800 0.084 0.000 2.402 193 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 193 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 193 G C 1.419 176.412 174.900 0.155 0.000 1.162 193 G CA 0.536 45.715 45.100 0.132 0.000 0.777 193 G HN 0.433 nan 8.290 nan 0.000 0.539 194 F N 2.083 122.004 119.950 -0.049 0.000 2.126 194 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 194 F C 2.852 178.557 175.800 -0.157 0.000 1.096 194 F CA 1.295 59.272 58.000 -0.038 0.000 1.255 194 F CB 0.100 38.971 39.000 -0.214 0.000 0.997 194 F HN 0.261 nan 8.300 nan 0.000 0.479 195 A N 0.247 122.701 122.820 -0.611 0.000 1.845 195 A HA -0.242 4.077 4.320 -0.000 0.000 0.215 195 A C 2.063 179.202 177.584 -0.742 0.000 1.195 195 A CA 1.824 53.008 52.037 -1.422 0.000 0.616 195 A CB -1.481 16.738 19.000 -1.302 0.000 0.832 195 A HN 0.574 nan 8.150 nan 0.000 0.443 196 H N 0.027 118.942 119.070 -0.258 0.000 2.353 196 H HA -0.104 4.452 4.556 -0.000 0.000 0.298 196 H C 2.611 177.874 175.328 -0.108 0.000 1.103 196 H CA 1.841 57.842 56.048 -0.079 0.000 1.293 196 H CB -0.334 29.464 29.762 0.059 0.000 1.372 196 H HN 0.482 nan 8.280 nan 0.000 0.501 197 S N 0.185 115.937 115.700 0.087 0.000 2.368 197 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 197 S C 2.497 177.152 174.600 0.090 0.000 1.030 197 S CA 1.159 59.457 58.200 0.163 0.000 0.999 197 S CB -0.105 63.284 63.200 0.316 0.000 0.844 197 S HN 0.365 nan 8.310 nan 0.000 0.459 198 S N 1.306 116.991 115.700 -0.024 0.000 2.353 198 S HA -0.079 4.391 4.470 -0.000 0.000 0.222 198 S C 1.577 175.970 174.600 -0.345 0.000 1.035 198 S CA 1.397 59.514 58.200 -0.138 0.000 1.025 198 S CB -0.597 62.383 63.200 -0.368 0.000 0.902 198 S HN 0.510 nan 8.310 nan 0.000 0.440 199 F N 1.740 121.460 119.950 -0.383 0.000 2.126 199 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 199 F C 2.452 178.115 175.800 -0.228 0.000 1.096 199 F CA 1.013 58.741 58.000 -0.453 0.000 1.255 199 F CB -0.242 37.949 39.000 -1.349 0.000 0.997 199 F HN 0.091 nan 8.300 nan 0.000 0.479 200 K N -0.032 120.341 120.400 -0.046 0.000 2.147 200 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 200 K C 1.954 178.575 176.600 0.034 0.000 1.049 200 K CA 1.119 57.472 56.287 0.109 0.000 0.936 200 K CB -0.433 32.170 32.500 0.171 0.000 0.722 200 K HN 0.219 nan 8.250 nan 0.000 0.446 201 L N 0.795 121.949 121.223 -0.115 0.000 2.109 201 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 201 L C 2.207 178.961 176.870 -0.193 0.000 1.086 201 L CA 1.415 56.096 54.840 -0.265 0.000 0.760 201 L CB -0.351 41.230 42.059 -0.797 0.000 0.910 201 L HN 0.073 nan 8.230 nan 0.000 0.437 202 A N -0.232 122.516 122.820 -0.121 0.000 1.902 202 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 202 A C 2.245 179.743 177.584 -0.144 0.000 1.181 202 A CA 2.055 54.040 52.037 -0.087 0.000 0.623 202 A CB -0.864 18.187 19.000 0.084 0.000 0.818 202 A HN 0.490 nan 8.150 nan 0.000 0.443 203 I N -0.396 120.148 120.570 -0.042 0.000 2.252 203 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 203 I C 2.237 178.327 176.117 -0.046 0.000 1.102 203 I CA 1.866 63.139 61.300 -0.046 0.000 1.385 203 I CB -0.263 37.820 38.000 0.138 0.000 1.064 203 I HN 0.417 nan 8.210 nan 0.000 0.414 204 D N 0.705 121.088 120.400 -0.028 0.000 2.144 204 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 204 D C 1.980 178.240 176.300 -0.066 0.000 0.978 204 D CA 1.190 55.168 54.000 -0.037 0.000 0.833 204 D CB 0.216 40.998 40.800 -0.030 0.000 0.961 204 D HN -0.000 nan 8.370 nan 0.000 0.470 205 K N 0.381 120.727 120.400 -0.090 0.000 2.379 205 K HA 0.080 4.400 4.320 -0.000 0.000 0.194 205 K C 0.178 176.727 176.600 -0.085 0.000 1.031 205 K CA 0.059 56.295 56.287 -0.086 0.000 1.037 205 K CB 0.267 32.708 32.500 -0.100 0.000 0.824 205 K HN 0.156 nan 8.250 nan 0.000 0.516 206 K N 1.022 121.355 120.400 -0.113 0.000 3.244 206 K HA -0.170 4.150 4.320 -0.000 0.000 0.270 206 K C -0.775 175.754 176.600 -0.119 0.000 1.016 206 K CA 0.357 56.564 56.287 -0.134 0.000 0.754 206 K CB -1.614 30.831 32.500 -0.091 0.000 1.326 206 K HN 0.136 nan 8.250 nan 0.000 0.465 207 L N -0.034 121.109 121.223 -0.132 0.000 2.350 207 L HA 0.418 4.758 4.340 -0.000 0.000 0.260 207 L C 0.404 177.230 176.870 -0.073 0.000 1.015 207 L CA -1.384 53.422 54.840 -0.057 0.000 0.821 207 L CB 1.507 43.563 42.059 -0.005 0.000 1.370 207 L HN 0.041 nan 8.230 nan 0.000 0.416 208 N N 1.871 120.582 118.700 0.019 0.000 2.479 208 N HA 0.230 4.970 4.740 -0.000 0.000 0.257 208 N C -1.020 174.501 175.510 0.017 0.000 1.232 208 N CA -0.195 52.840 53.050 -0.025 0.000 0.920 208 N CB 1.203 39.666 38.487 -0.040 0.000 1.105 208 N HN 0.279 nan 8.380 nan 0.000 0.444 209 L N 2.583 123.794 121.223 -0.020 0.000 2.346 209 L HA 0.567 4.907 4.340 -0.000 0.000 0.276 209 L C -1.462 175.322 176.870 -0.144 0.000 1.006 209 L CA -0.447 54.455 54.840 0.103 0.000 0.817 209 L CB 0.538 42.791 42.059 0.322 0.000 1.272 209 L HN 0.384 nan 8.230 nan 0.000 0.421 210 F N 4.985 125.014 119.950 0.132 0.000 2.540 210 F HA 0.513 5.040 4.527 -0.000 0.000 0.317 210 F C -0.243 175.555 175.800 -0.003 0.000 1.104 210 F CA -0.775 57.216 58.000 -0.015 0.000 0.913 210 F CB 2.061 41.023 39.000 -0.064 0.000 1.170 210 F HN 0.342 nan 8.300 nan 0.000 0.450 211 L N 2.334 123.610 121.223 0.089 0.000 2.329 211 L HA 0.787 5.127 4.340 -0.000 0.000 0.279 211 L C -0.722 176.072 176.870 -0.128 0.000 1.014 211 L CA 0.098 54.907 54.840 -0.051 0.000 0.814 211 L CB 1.669 43.597 42.059 -0.219 0.000 1.257 211 L HN 0.516 nan 8.230 nan 0.000 0.424 212 S N 2.334 117.971 115.700 -0.106 0.000 2.500 212 S HA 0.905 5.374 4.470 -0.000 0.000 0.301 212 S C -0.507 174.046 174.600 -0.079 0.000 1.092 212 S CA -0.249 57.852 58.200 -0.165 0.000 1.030 212 S CB 1.747 64.885 63.200 -0.103 0.000 1.031 212 S HN 0.955 nan 8.310 nan 0.000 0.483 213 T N -0.504 114.028 114.554 -0.037 0.000 2.671 213 T HA 0.560 4.910 4.350 -0.000 0.000 0.300 213 T C -1.424 173.311 174.700 0.058 0.000 1.238 213 T CA -0.806 61.320 62.100 0.043 0.000 1.020 213 T CB 1.271 70.235 68.868 0.161 0.000 1.503 213 T HN 0.239 nan 8.240 nan 0.000 0.497 214 K N 1.636 122.071 120.400 0.059 0.000 3.174 214 K HA 0.277 4.597 4.320 -0.000 0.000 0.207 214 K C 0.939 177.586 176.600 0.078 0.000 1.190 214 K CA -0.173 56.145 56.287 0.053 0.000 1.054 214 K CB -0.403 32.109 32.500 0.020 0.000 1.154 214 K HN 0.818 nan 8.250 nan 0.000 0.495 215 N N -1.320 117.453 118.700 0.122 0.000 2.609 215 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 215 N C 1.114 176.668 175.510 0.073 0.000 1.157 215 N CA 1.204 54.313 53.050 0.098 0.000 0.918 215 N CB 0.141 38.667 38.487 0.065 0.000 0.978 215 N HN 0.049 nan 8.380 nan 0.000 0.448 216 T N -2.272 112.323 114.554 0.067 0.000 3.014 216 T HA 0.095 4.445 4.350 -0.000 0.000 0.263 216 T C 1.504 176.225 174.700 0.035 0.000 1.078 216 T CA 0.463 62.591 62.100 0.047 0.000 1.135 216 T CB -0.052 68.840 68.868 0.039 0.000 0.895 216 T HN 0.107 nan 8.240 nan 0.000 0.480 217 I N 0.464 121.054 120.570 0.033 0.000 2.899 217 I HA 0.333 4.503 4.170 -0.000 0.000 0.257 217 I C 0.913 177.047 176.117 0.029 0.000 1.115 217 I CA 0.371 61.683 61.300 0.020 0.000 1.451 217 I CB -0.035 37.967 38.000 0.004 0.000 1.251 217 I HN 0.133 nan 8.210 nan 0.000 0.456 218 L N 1.938 123.186 121.223 0.043 0.000 2.422 218 L HA 0.202 4.541 4.340 -0.000 0.000 0.256 218 L C 1.312 178.246 176.870 0.108 0.000 1.202 218 L CA -0.092 54.791 54.840 0.073 0.000 1.119 218 L CB -0.171 41.933 42.059 0.075 0.000 1.383 218 L HN 0.180 nan 8.230 nan 0.000 0.411 219 K N 0.633 121.083 120.400 0.083 0.000 2.032 219 K HA -0.199 4.120 4.320 -0.000 0.000 0.209 219 K C 1.640 178.298 176.600 0.096 0.000 1.048 219 K CA 1.471 57.804 56.287 0.076 0.000 0.927 219 K CB 0.135 32.668 32.500 0.055 0.000 0.712 219 K HN 0.251 nan 8.250 nan 0.000 0.441 220 K N 0.147 120.616 120.400 0.115 0.000 2.005 220 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 220 K C 1.983 178.689 176.600 0.176 0.000 1.044 220 K CA 1.111 57.470 56.287 0.121 0.000 0.942 220 K CB -0.652 31.914 32.500 0.109 0.000 0.727 220 K HN 0.102 nan 8.250 nan 0.000 0.439 221 Y N 1.795 122.156 120.300 0.102 0.000 2.030 221 Y HA -0.306 4.244 4.550 -0.000 0.000 0.274 221 Y C 1.605 177.655 175.900 0.249 0.000 1.153 221 Y CA 2.148 60.346 58.100 0.163 0.000 1.115 221 Y CB -0.098 38.441 38.460 0.131 0.000 0.969 221 Y HN 0.148 nan 8.280 nan 0.000 0.488 222 D N -1.108 119.537 120.400 0.407 0.000 2.234 222 D HA -0.042 4.598 4.640 -0.000 0.000 0.205 222 D C 2.233 178.667 176.300 0.223 0.000 0.962 222 D CA 1.166 55.343 54.000 0.296 0.000 0.855 222 D CB -0.726 40.175 40.800 0.168 0.000 0.951 222 D HN 0.500 nan 8.370 nan 0.000 0.500 223 G N 0.399 109.291 108.800 0.153 0.000 2.470 223 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 223 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 223 G C 1.794 176.750 174.900 0.093 0.000 1.121 223 G CA 0.340 45.484 45.100 0.074 0.000 0.766 223 G HN 0.115 nan 8.290 nan 0.000 0.553 224 R N 0.050 120.633 120.500 0.138 0.000 2.075 224 R HA 0.081 4.421 4.340 -0.000 0.000 0.232 224 R C 2.090 178.457 176.300 0.112 0.000 1.126 224 R CA 0.925 57.072 56.100 0.079 0.000 0.963 224 R CB -0.848 29.451 30.300 -0.001 0.000 0.858 224 R HN 0.338 nan 8.270 nan 0.000 0.435 225 F N 0.951 120.926 119.950 0.042 0.000 2.102 225 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 225 F C 2.317 178.165 175.800 0.080 0.000 1.105 225 F CA 1.946 59.999 58.000 0.089 0.000 1.239 225 F CB -0.531 38.509 39.000 0.067 0.000 0.991 225 F HN 0.077 nan 8.300 nan 0.000 0.474 226 K N 0.428 120.938 120.400 0.182 0.000 2.020 226 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 226 K C 1.753 178.429 176.600 0.126 0.000 1.050 226 K CA 2.210 58.513 56.287 0.025 0.000 0.929 226 K CB -0.297 32.026 32.500 -0.296 0.000 0.714 226 K HN 0.111 nan 8.250 nan 0.000 0.443 227 D N 0.638 121.091 120.400 0.088 0.000 2.117 227 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 227 D C 2.018 178.383 176.300 0.108 0.000 0.987 227 D CA 1.235 55.286 54.000 0.085 0.000 0.829 227 D CB -0.178 40.650 40.800 0.047 0.000 0.961 227 D HN 0.341 nan 8.370 nan 0.000 0.460 228 I N -0.038 120.601 120.570 0.115 0.000 2.252 228 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 228 I C 2.146 178.340 176.117 0.128 0.000 1.102 228 I CA 0.659 62.009 61.300 0.082 0.000 1.385 228 I CB -0.165 37.851 38.000 0.027 0.000 1.064 228 I HN -0.130 nan 8.210 nan 0.000 0.414 229 F N 0.940 120.897 119.950 0.011 0.000 2.134 229 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 229 F C 2.749 178.577 175.800 0.045 0.000 1.097 229 F CA 1.456 59.467 58.000 0.017 0.000 1.264 229 F CB -0.560 38.450 39.000 0.016 0.000 1.001 229 F HN 0.066 nan 8.300 nan 0.000 0.479 230 Q N 0.546 120.526 119.800 0.301 0.000 2.050 230 Q HA -0.205 4.134 4.340 -0.000 0.000 0.202 230 Q C 2.210 178.286 176.000 0.127 0.000 0.980 230 Q CA 1.771 57.729 55.803 0.259 0.000 0.840 230 Q CB -0.489 28.384 28.738 0.226 0.000 0.898 230 Q HN 0.508 nan 8.270 nan 0.000 0.424 231 E N -0.627 119.612 120.200 0.065 0.000 2.058 231 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 231 E C 2.093 178.646 176.600 -0.078 0.000 0.997 231 E CA 1.425 57.821 56.400 -0.006 0.000 0.801 231 E CB 0.008 29.704 29.700 -0.006 0.000 0.746 231 E HN 0.095 nan 8.360 nan 0.000 0.450 232 V N 0.794 120.638 119.914 -0.116 0.000 2.407 232 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 232 V C 2.040 177.928 176.094 -0.344 0.000 1.055 232 V CA 1.794 63.951 62.300 -0.239 0.000 1.049 232 V CB -0.575 31.033 31.823 -0.358 0.000 0.662 232 V HN 0.316 nan 8.190 nan 0.000 0.455 233 Y N 1.674 121.593 120.300 -0.634 0.000 2.097 233 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 233 Y C 2.512 178.113 175.900 -0.499 0.000 1.152 233 Y CA 2.157 59.678 58.100 -0.965 0.000 1.136 233 Y CB -0.408 37.597 38.460 -0.758 0.000 0.975 233 Y HN 0.382 nan 8.280 nan 0.000 0.498 234 E N -0.276 119.686 120.200 -0.397 0.000 2.204 234 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 234 E C 2.256 178.667 176.600 -0.314 0.000 0.989 234 E CA 0.751 56.920 56.400 -0.385 0.000 0.824 234 E CB -0.263 29.337 29.700 -0.166 0.000 0.756 234 E HN 0.560 nan 8.360 nan 0.000 0.477 235 A N 0.552 123.215 122.820 -0.262 0.000 2.014 235 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 235 A C 1.784 179.198 177.584 -0.283 0.000 1.163 235 A CA 1.237 53.145 52.037 -0.216 0.000 0.652 235 A CB 0.138 19.051 19.000 -0.145 0.000 0.808 235 A HN 0.158 nan 8.150 nan 0.000 0.449 236 Q N -3.998 115.548 119.800 -0.423 0.000 1.892 236 Q HA 0.154 4.493 4.340 -0.000 0.000 0.200 236 Q C 0.299 175.807 176.000 -0.819 0.000 0.726 236 Q CA 0.104 55.538 55.803 -0.615 0.000 0.853 236 Q CB 0.636 28.910 28.738 -0.773 0.000 1.211 236 Q HN 0.731 nan 8.270 nan 0.000 0.420 237 Y N -0.127 119.889 120.300 -0.473 0.000 2.430 237 Y HA 0.251 4.801 4.550 -0.000 0.000 0.254 237 Y C 1.987 177.600 175.900 -0.478 0.000 1.088 237 Y CA -0.142 57.703 58.100 -0.426 0.000 1.267 237 Y CB 0.556 38.658 38.460 -0.597 0.000 1.204 237 Y HN -0.110 nan 8.280 nan 0.000 0.515 238 K N 0.653 120.617 120.400 -0.726 0.000 2.020 238 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 238 K C 2.031 178.512 176.600 -0.198 0.000 1.050 238 K CA 2.059 57.884 56.287 -0.770 0.000 0.929 238 K CB -0.186 31.793 32.500 -0.867 0.000 0.714 238 K HN 0.167 nan 8.250 nan 0.000 0.443 239 S N 0.718 116.320 115.700 -0.163 0.000 2.370 239 S HA -0.130 4.340 4.470 -0.000 0.000 0.226 239 S C 1.677 176.294 174.600 0.029 0.000 1.033 239 S CA 1.511 59.678 58.200 -0.055 0.000 1.011 239 S CB -0.131 63.023 63.200 -0.077 0.000 0.852 239 S HN 0.337 nan 8.310 nan 0.000 0.457 240 K N 0.183 120.622 120.400 0.066 0.000 2.057 240 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 240 K C 1.714 178.442 176.600 0.215 0.000 1.049 240 K CA 1.193 57.562 56.287 0.136 0.000 0.931 240 K CB -0.303 32.311 32.500 0.190 0.000 0.714 240 K HN 0.220 nan 8.250 nan 0.000 0.440 241 F N 1.974 121.951 119.950 0.045 0.000 2.134 241 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 241 F C 2.169 177.962 175.800 -0.013 0.000 1.097 241 F CA 1.321 59.359 58.000 0.063 0.000 1.264 241 F CB -0.318 38.808 39.000 0.211 0.000 1.001 241 F HN 0.077 nan 8.300 nan 0.000 0.479 242 E N -0.465 119.847 120.200 0.188 0.000 2.110 242 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 242 E C 2.139 178.760 176.600 0.034 0.000 0.988 242 E CA 1.327 57.780 56.400 0.089 0.000 0.804 242 E CB -0.135 29.613 29.700 0.080 0.000 0.745 242 E HN 0.522 nan 8.360 nan 0.000 0.458 243 Q N 0.018 119.836 119.800 0.031 0.000 2.079 243 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 243 Q C 2.119 178.110 176.000 -0.016 0.000 0.974 243 Q CA 0.959 56.767 55.803 0.008 0.000 0.840 243 Q CB -0.004 28.740 28.738 0.010 0.000 0.898 243 Q HN 0.309 nan 8.270 nan 0.000 0.430 244 L N -0.754 120.443 121.223 -0.042 0.000 2.418 244 L HA 0.114 4.454 4.340 -0.000 0.000 0.218 244 L C 1.074 177.877 176.870 -0.111 0.000 1.125 244 L CA 0.478 55.267 54.840 -0.084 0.000 0.835 244 L CB -0.193 41.784 42.059 -0.137 0.000 0.953 244 L HN 0.477 nan 8.230 nan 0.000 0.454 245 G N 1.608 110.332 108.800 -0.128 0.000 2.149 245 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.235 245 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.235 245 G C 0.158 174.856 174.900 -0.336 0.000 1.018 245 G CA 0.453 45.458 45.100 -0.158 0.000 0.728 245 G HN 0.459 nan 8.290 nan 0.000 0.508 246 I N -2.869 117.422 120.570 -0.465 0.000 2.863 246 I HA 0.885 5.055 4.170 -0.000 0.000 0.311 246 I C -0.043 175.709 176.117 -0.608 0.000 1.026 246 I CA -1.461 59.528 61.300 -0.519 0.000 1.077 246 I CB 1.822 39.500 38.000 -0.538 0.000 1.262 246 I HN 0.050 nan 8.210 nan 0.000 0.461 247 H N 1.640 120.768 119.070 0.096 0.000 2.768 247 H HA 0.359 4.915 4.556 -0.000 0.000 0.371 247 H C -1.888 173.566 175.328 0.210 0.000 1.151 247 H CA -0.469 55.718 56.048 0.232 0.000 1.165 247 H CB 2.502 32.287 29.762 0.038 0.000 1.722 247 H HN 0.765 nan 8.280 nan 0.000 0.543 248 Y N 1.103 121.487 120.300 0.139 0.000 2.446 248 Y HA 0.437 4.987 4.550 -0.000 0.000 0.338 248 Y C -0.639 175.118 175.900 -0.239 0.000 1.055 248 Y CA -0.528 57.469 58.100 -0.172 0.000 1.101 248 Y CB 1.762 39.825 38.460 -0.661 0.000 1.221 248 Y HN 0.783 nan 8.280 nan 0.000 0.460 249 E N 2.667 121.986 120.200 -1.467 0.000 2.380 249 E HA 0.187 4.537 4.350 -0.000 0.000 0.281 249 E C -2.227 173.922 176.600 -0.751 0.000 0.999 249 E CA -0.745 55.079 56.400 -0.961 0.000 0.800 249 E CB 0.901 30.349 29.700 -0.421 0.000 1.228 249 E HN 0.788 nan 8.360 nan 0.000 0.436 250 H N 2.985 121.776 119.070 -0.464 0.000 2.467 250 H HA 0.654 5.210 4.556 -0.000 0.000 0.331 250 H C -0.862 174.420 175.328 -0.078 0.000 1.120 250 H CA -0.298 55.634 56.048 -0.192 0.000 1.270 250 H CB 0.766 30.482 29.762 -0.076 0.000 1.466 250 H HN 0.264 nan 8.280 nan 0.000 0.504 251 R N 3.830 123.877 120.500 -0.756 0.000 2.725 251 R HA 0.230 4.570 4.340 -0.000 0.000 0.277 251 R C -1.263 174.714 176.300 -0.539 0.000 0.987 251 R CA -1.311 54.516 56.100 -0.455 0.000 0.901 251 R CB 1.945 32.108 30.300 -0.229 0.000 1.207 251 R HN 0.601 nan 8.270 nan 0.000 0.463 252 L N 2.437 123.509 121.223 -0.253 0.000 2.456 252 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 252 L C 1.601 178.392 176.870 -0.131 0.000 1.189 252 L CA 0.399 55.161 54.840 -0.130 0.000 0.846 252 L CB 0.376 42.411 42.059 -0.040 0.000 1.111 252 L HN 0.761 nan 8.230 nan 0.000 0.475 253 I N 2.479 122.995 120.570 -0.090 0.000 2.248 253 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 253 I C 1.711 177.794 176.117 -0.057 0.000 1.107 253 I CA 1.658 62.916 61.300 -0.070 0.000 1.373 253 I CB -0.317 37.663 38.000 -0.033 0.000 1.055 253 I HN 0.804 nan 8.210 nan 0.000 0.418 254 D N 0.586 120.960 120.400 -0.043 0.000 2.123 254 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 254 D C 1.585 177.855 176.300 -0.050 0.000 0.992 254 D CA 1.732 55.711 54.000 -0.035 0.000 0.833 254 D CB -0.216 40.569 40.800 -0.025 0.000 0.954 254 D HN 0.484 nan 8.370 nan 0.000 0.455 255 D N 0.196 120.553 120.400 -0.071 0.000 2.120 255 D HA -0.073 4.566 4.640 -0.000 0.000 0.202 255 D C 2.149 178.371 176.300 -0.131 0.000 0.972 255 D CA 0.304 54.250 54.000 -0.090 0.000 0.837 255 D CB -0.262 40.481 40.800 -0.095 0.000 0.989 255 D HN 0.053 nan 8.370 nan 0.000 0.469 256 M N 0.780 120.284 119.600 -0.161 0.000 2.082 256 M HA -0.128 4.351 4.480 -0.000 0.000 0.258 256 M C 2.338 178.549 176.300 -0.149 0.000 1.071 256 M CA 0.935 56.101 55.300 -0.223 0.000 1.103 256 M CB -0.753 31.729 32.600 -0.196 0.000 1.307 256 M HN -0.088 nan 8.290 nan 0.000 0.409 257 V N 0.251 120.121 119.914 -0.074 0.000 2.407 257 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 257 V C 2.477 178.575 176.094 0.006 0.000 1.055 257 V CA 1.966 64.259 62.300 -0.012 0.000 1.049 257 V CB -0.772 31.051 31.823 -0.001 0.000 0.662 257 V HN 0.554 nan 8.190 nan 0.000 0.455 258 A N -1.428 121.378 122.820 -0.023 0.000 1.873 258 A HA -0.282 4.038 4.320 -0.000 0.000 0.215 258 A C 2.187 179.763 177.584 -0.014 0.000 1.186 258 A CA 2.000 54.029 52.037 -0.013 0.000 0.616 258 A CB -0.622 18.360 19.000 -0.029 0.000 0.823 258 A HN 0.618 nan 8.150 nan 0.000 0.442 259 Q N -1.052 118.706 119.800 -0.070 0.000 2.096 259 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 259 Q C 2.139 178.114 176.000 -0.043 0.000 0.982 259 Q CA 1.869 57.606 55.803 -0.109 0.000 0.850 259 Q CB -0.209 28.378 28.738 -0.252 0.000 0.901 259 Q HN 0.729 nan 8.270 nan 0.000 0.422 260 M N 0.561 120.158 119.600 -0.005 0.000 2.073 260 M HA -0.229 4.251 4.480 -0.000 0.000 0.258 260 M C 1.979 178.510 176.300 0.385 0.000 1.070 260 M CA 1.902 57.321 55.300 0.199 0.000 1.103 260 M CB -0.287 32.420 32.600 0.179 0.000 1.321 260 M HN 0.426 nan 8.290 nan 0.000 0.405 261 I N -1.436 119.334 120.570 0.333 0.000 2.614 261 I HA -0.147 4.023 4.170 -0.000 0.000 0.258 261 I C 1.736 177.999 176.117 0.244 0.000 1.189 261 I CA 1.561 63.075 61.300 0.357 0.000 1.462 261 I CB -0.824 37.260 38.000 0.140 0.000 1.092 261 I HN 0.181 nan 8.210 nan 0.000 0.442 262 K N 1.131 121.638 120.400 0.178 0.000 2.379 262 K HA 0.165 4.485 4.320 -0.000 0.000 0.194 262 K C 1.154 177.849 176.600 0.157 0.000 1.031 262 K CA 0.565 56.919 56.287 0.111 0.000 1.037 262 K CB 0.112 32.639 32.500 0.046 0.000 0.824 262 K HN 0.642 nan 8.250 nan 0.000 0.516 263 S N 0.277 116.130 115.700 0.255 0.000 2.652 263 S HA 0.186 4.656 4.470 -0.000 0.000 0.267 263 S C 0.602 175.415 174.600 0.355 0.000 1.201 263 S CA -0.485 57.870 58.200 0.257 0.000 0.996 263 S CB 0.992 64.366 63.200 0.290 0.000 1.054 263 S HN 0.000 nan 8.310 nan 0.000 0.561 264 K N 0.240 120.809 120.400 0.282 0.000 2.455 264 K HA 0.375 4.695 4.320 -0.000 0.000 0.206 264 K C 0.837 177.536 176.600 0.166 0.000 1.027 264 K CA 0.249 56.695 56.287 0.265 0.000 1.113 264 K CB 0.080 32.684 32.500 0.174 0.000 0.850 264 K HN 0.950 nan 8.250 nan 0.000 0.503 265 G N 0.478 109.315 108.800 0.060 0.000 2.681 265 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.220 265 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.220 265 G C 0.320 175.194 174.900 -0.043 0.000 1.353 265 G CA -0.329 44.610 45.100 -0.269 0.000 0.872 265 G HN 0.506 nan 8.290 nan 0.000 0.557 266 G N -2.304 106.341 108.800 -0.258 0.000 2.270 266 G HA2 0.455 4.415 3.960 -0.000 0.000 0.224 266 G HA3 0.455 4.415 3.960 -0.000 0.000 0.224 266 G C 0.113 175.122 174.900 0.181 0.000 1.079 266 G CA 0.876 45.976 45.100 -0.001 0.000 0.807 266 G HN 2.389 nan 8.290 nan 0.000 0.492 267 F N -2.481 117.494 119.950 0.041 0.000 2.877 267 F HA 0.821 5.348 4.527 -0.000 0.000 0.319 267 F C -0.662 175.199 175.800 0.102 0.000 1.174 267 F CA -2.195 55.877 58.000 0.121 0.000 0.903 267 F CB 0.897 40.081 39.000 0.307 0.000 1.357 267 F HN 0.045 nan 8.300 nan 0.000 0.472 268 I N 2.003 122.811 120.570 0.396 0.000 2.474 268 I HA 0.519 4.689 4.170 -0.000 0.000 0.294 268 I C -0.932 175.434 176.117 0.416 0.000 1.005 268 I CA -0.767 60.693 61.300 0.266 0.000 1.113 268 I CB 2.048 40.140 38.000 0.154 0.000 1.289 268 I HN 0.519 nan 8.210 nan 0.000 0.436 269 M N 5.364 125.155 119.600 0.318 0.000 2.078 269 M HA 0.520 5.000 4.480 -0.000 0.000 0.320 269 M C -0.424 176.037 176.300 0.268 0.000 0.969 269 M CA -0.487 54.991 55.300 0.297 0.000 0.929 269 M CB 1.802 34.532 32.600 0.217 0.000 1.504 269 M HN 0.684 nan 8.290 nan 0.000 0.419 270 A N 5.524 128.502 122.820 0.264 0.000 2.320 270 A HA 0.806 5.126 4.320 -0.000 0.000 0.287 270 A C -0.768 177.002 177.584 0.310 0.000 1.181 270 A CA -0.286 51.944 52.037 0.323 0.000 0.831 270 A CB 0.333 19.403 19.000 0.118 0.000 1.102 270 A HN 0.892 nan 8.150 nan 0.000 0.513 271 L N 2.302 123.765 121.223 0.400 0.000 2.371 271 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 271 L C 0.183 177.128 176.870 0.125 0.000 1.006 271 L CA -1.022 53.936 54.840 0.197 0.000 0.818 271 L CB 2.120 44.225 42.059 0.076 0.000 1.354 271 L HN 0.685 nan 8.230 nan 0.000 0.415 272 K N 0.811 121.217 120.400 0.009 0.000 2.286 272 K HA 0.032 4.352 4.320 -0.000 0.000 0.256 272 K C 0.649 177.220 176.600 -0.048 0.000 0.999 272 K CA -0.393 55.857 56.287 -0.063 0.000 0.908 272 K CB 0.416 32.809 32.500 -0.178 0.000 0.981 272 K HN 0.509 nan 8.250 nan 0.000 0.500 273 N N 1.118 119.783 118.700 -0.057 0.000 2.058 273 N HA -0.273 4.467 4.740 -0.000 0.000 0.200 273 N C 1.747 177.230 175.510 -0.045 0.000 1.033 273 N CA 1.916 54.867 53.050 -0.166 0.000 0.880 273 N CB -0.433 37.950 38.487 -0.174 0.000 1.069 273 N HN 0.553 nan 8.380 nan 0.000 0.461 274 Y N 1.827 122.184 120.300 0.096 0.000 2.145 274 Y HA -0.152 4.398 4.550 -0.000 0.000 0.286 274 Y C 2.101 178.038 175.900 0.062 0.000 1.145 274 Y CA 1.856 60.069 58.100 0.187 0.000 1.148 274 Y CB -0.535 38.011 38.460 0.143 0.000 0.981 274 Y HN 0.135 nan 8.280 nan 0.000 0.507 275 D N -0.586 119.801 120.400 -0.023 0.000 2.144 275 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 275 D C 2.345 178.567 176.300 -0.129 0.000 0.984 275 D CA 1.454 55.388 54.000 -0.110 0.000 0.834 275 D CB -0.812 39.982 40.800 -0.010 0.000 0.955 275 D HN 0.540 nan 8.370 nan 0.000 0.465 276 G N 1.040 109.783 108.800 -0.095 0.000 2.440 276 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 276 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 276 G C 1.429 176.251 174.900 -0.130 0.000 1.154 276 G CA 1.021 46.064 45.100 -0.095 0.000 0.767 276 G HN 0.195 nan 8.290 nan 0.000 0.552 277 D N 0.379 120.673 120.400 -0.177 0.000 2.078 277 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 277 D C 2.741 178.945 176.300 -0.159 0.000 0.990 277 D CA 1.378 55.282 54.000 -0.160 0.000 0.827 277 D CB -0.381 40.353 40.800 -0.111 0.000 0.975 277 D HN 0.179 nan 8.370 nan 0.000 0.451 278 V N 0.476 120.230 119.914 -0.266 0.000 2.358 278 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 278 V C 2.573 178.604 176.094 -0.106 0.000 1.047 278 V CA 1.453 63.625 62.300 -0.213 0.000 1.035 278 V CB -0.541 31.081 31.823 -0.333 0.000 0.658 278 V HN 0.153 nan 8.190 nan 0.000 0.452 279 Q N -0.002 119.742 119.800 -0.093 0.000 2.230 279 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 279 Q C 2.443 178.446 176.000 0.005 0.000 0.963 279 Q CA 1.508 57.297 55.803 -0.023 0.000 0.866 279 Q CB -0.394 28.335 28.738 -0.014 0.000 0.931 279 Q HN 0.612 nan 8.270 nan 0.000 0.452 280 S N 0.711 116.398 115.700 -0.021 0.000 2.382 280 S HA -0.123 4.346 4.470 -0.000 0.000 0.228 280 S C 1.114 175.727 174.600 0.020 0.000 1.027 280 S CA 1.303 59.499 58.200 -0.006 0.000 0.991 280 S CB -0.173 63.006 63.200 -0.035 0.000 0.823 280 S HN 0.464 nan 8.310 nan 0.000 0.469 281 D N 1.186 121.591 120.400 0.009 0.000 2.149 281 D HA 0.043 4.683 4.640 -0.000 0.000 0.201 281 D C 1.858 178.193 176.300 0.058 0.000 0.972 281 D CA 0.673 54.688 54.000 0.025 0.000 0.835 281 D CB -0.219 40.583 40.800 0.003 0.000 0.966 281 D HN 0.362 nan 8.370 nan 0.000 0.476 282 I N 0.786 121.395 120.570 0.064 0.000 2.163 282 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 282 I C 2.502 178.741 176.117 0.204 0.000 1.081 282 I CA 0.675 62.037 61.300 0.102 0.000 1.353 282 I CB -0.205 37.853 38.000 0.096 0.000 1.054 282 I HN -0.141 nan 8.210 nan 0.000 0.407 283 V N 1.183 121.240 119.914 0.239 0.000 2.287 283 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 283 V C 2.735 179.108 176.094 0.465 0.000 1.053 283 V CA 2.085 64.618 62.300 0.387 0.000 1.027 283 V CB -1.209 30.723 31.823 0.182 0.000 0.646 283 V HN 0.514 nan 8.190 nan 0.000 0.447 284 A N -0.682 122.288 122.820 0.250 0.000 1.883 284 A HA -0.268 4.051 4.320 -0.000 0.000 0.217 284 A C 2.182 179.904 177.584 0.230 0.000 1.186 284 A CA 1.838 53.998 52.037 0.206 0.000 0.624 284 A CB -0.521 18.535 19.000 0.094 0.000 0.822 284 A HN 0.540 nan 8.150 nan 0.000 0.444 285 Q N -0.661 119.237 119.800 0.164 0.000 2.167 285 Q HA -0.098 4.241 4.340 -0.000 0.000 0.202 285 Q C 2.152 178.206 176.000 0.091 0.000 0.970 285 Q CA 1.370 57.234 55.803 0.102 0.000 0.855 285 Q CB -0.860 27.910 28.738 0.052 0.000 0.911 285 Q HN 0.682 nan 8.270 nan 0.000 0.438 286 G N -0.696 108.193 108.800 0.148 0.000 2.422 286 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 286 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 286 G C 1.094 175.956 174.900 -0.063 0.000 1.140 286 G CA 0.177 45.239 45.100 -0.063 0.000 0.775 286 G HN 0.254 nan 8.290 nan 0.000 0.545 287 F N 0.682 120.760 119.950 0.213 0.000 2.416 287 F HA 0.326 4.853 4.527 -0.000 0.000 0.296 287 F C 1.923 177.759 175.800 0.060 0.000 1.099 287 F CA 1.079 59.183 58.000 0.173 0.000 1.427 287 F CB 0.465 39.554 39.000 0.149 0.000 1.079 287 F HN 0.419 nan 8.300 nan 0.000 0.536 288 G N -0.791 108.125 108.800 0.193 0.000 2.217 288 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.126 288 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.126 288 G C -0.709 174.229 174.900 0.063 0.000 1.293 288 G CA -0.281 44.873 45.100 0.091 0.000 1.219 288 G HN 0.109 nan 8.290 nan 0.000 0.477 289 S N 0.150 115.868 115.700 0.030 0.000 2.564 289 S HA 0.414 4.883 4.470 -0.000 0.000 0.278 289 S C 1.829 176.433 174.600 0.006 0.000 1.333 289 S CA -0.016 58.181 58.200 -0.005 0.000 1.048 289 S CB 0.460 63.634 63.200 -0.042 0.000 0.900 289 S HN 0.638 nan 8.310 nan 0.000 0.505 290 L N 4.315 125.534 121.223 -0.005 0.000 2.456 290 L HA 0.066 4.406 4.340 -0.000 0.000 0.224 290 L C 2.456 179.358 176.870 0.054 0.000 1.148 290 L CA 0.790 55.648 54.840 0.031 0.000 0.825 290 L CB -0.740 41.337 42.059 0.030 0.000 0.937 290 L HN 0.884 nan 8.230 nan 0.000 0.450 291 G N -0.103 108.672 108.800 -0.041 0.000 2.559 291 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.216 291 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.216 291 G C 1.312 176.222 174.900 0.017 0.000 1.126 291 G CA 0.178 45.248 45.100 -0.050 0.000 0.778 291 G HN 0.346 nan 8.290 nan 0.000 0.543 292 L N -0.429 120.786 121.223 -0.013 0.000 2.857 292 L HA 0.454 4.794 4.340 -0.000 0.000 0.249 292 L C 0.258 177.064 176.870 -0.108 0.000 1.172 292 L CA -0.437 54.353 54.840 -0.084 0.000 0.980 292 L CB 0.427 42.431 42.059 -0.091 0.000 1.299 292 L HN 0.096 nan 8.230 nan 0.000 0.535 293 M N 1.341 120.927 119.600 -0.023 0.000 2.113 293 M HA 0.276 4.756 4.480 -0.000 0.000 0.352 293 M C 0.370 176.644 176.300 -0.044 0.000 1.170 293 M CA -0.110 55.161 55.300 -0.048 0.000 1.053 293 M CB 1.010 33.612 32.600 0.003 0.000 1.601 293 M HN 0.106 nan 8.290 nan 0.000 0.459 294 T N 1.093 115.602 114.554 -0.074 0.000 2.927 294 T HA 0.975 5.325 4.350 -0.000 0.000 0.286 294 T C -0.476 174.216 174.700 -0.014 0.000 1.040 294 T CA -0.434 61.649 62.100 -0.029 0.000 1.010 294 T CB 1.532 70.404 68.868 0.006 0.000 1.177 294 T HN 0.805 nan 8.240 nan 0.000 0.546 295 S N -0.092 115.619 115.700 0.018 0.000 2.547 295 S HA 0.699 5.169 4.470 -0.000 0.000 0.270 295 S C -1.416 173.232 174.600 0.079 0.000 1.150 295 S CA -1.084 57.142 58.200 0.043 0.000 0.850 295 S CB 0.740 63.944 63.200 0.007 0.000 1.118 295 S HN 1.011 nan 8.310 nan 0.000 0.461 296 I N 1.289 121.944 120.570 0.142 0.000 2.686 296 I HA 0.598 4.768 4.170 -0.000 0.000 0.295 296 I C -1.369 174.891 176.117 0.238 0.000 1.114 296 I CA -1.102 60.308 61.300 0.183 0.000 1.038 296 I CB 1.872 39.998 38.000 0.211 0.000 1.238 296 I HN 0.617 nan 8.210 nan 0.000 0.420 297 L N 6.631 127.976 121.223 0.204 0.000 2.289 297 L HA 0.716 5.055 4.340 -0.000 0.000 0.285 297 L C -0.861 176.153 176.870 0.241 0.000 1.049 297 L CA -0.219 54.722 54.840 0.169 0.000 0.804 297 L CB 1.531 43.636 42.059 0.076 0.000 1.195 297 L HN 0.463 nan 8.230 nan 0.000 0.428 298 V N 3.861 123.927 119.914 0.253 0.000 2.525 298 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 298 V C 0.127 176.265 176.094 0.074 0.000 1.034 298 V CA -0.441 61.971 62.300 0.186 0.000 0.863 298 V CB 1.863 33.918 31.823 0.386 0.000 0.999 298 V HN 0.912 nan 8.190 nan 0.000 0.423 299 T N 2.730 117.221 114.554 -0.104 0.000 2.904 299 T HA 0.342 4.692 4.350 -0.000 0.000 0.290 299 T C -1.754 172.928 174.700 -0.029 0.000 1.018 299 T CA -1.668 60.392 62.100 -0.067 0.000 1.075 299 T CB 1.608 70.397 68.868 -0.132 0.000 0.986 299 T HN 0.376 nan 8.240 nan 0.000 0.523 300 P HA -0.174 nan 4.420 nan 0.000 0.216 300 P C 1.047 178.333 177.300 -0.024 0.000 1.157 300 P CA 1.717 64.835 63.100 0.030 0.000 0.880 300 P CB -0.189 31.511 31.700 0.000 0.000 0.791 301 D N -2.120 118.236 120.400 -0.074 0.000 2.263 301 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 301 D C 1.287 177.560 176.300 -0.045 0.000 0.971 301 D CA 0.989 54.941 54.000 -0.079 0.000 0.867 301 D CB -1.080 39.667 40.800 -0.088 0.000 0.929 301 D HN 0.211 nan 8.370 nan 0.000 0.492 302 G N 0.089 108.843 108.800 -0.077 0.000 2.160 302 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 302 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 302 G C 0.761 175.583 174.900 -0.130 0.000 1.022 302 G CA 0.335 45.395 45.100 -0.066 0.000 0.741 302 G HN 0.275 nan 8.290 nan 0.000 0.508 303 K N -0.322 119.922 120.400 -0.260 0.000 2.477 303 K HA 0.218 4.538 4.320 -0.000 0.000 0.208 303 K C 0.402 176.826 176.600 -0.293 0.000 1.117 303 K CA 0.517 56.702 56.287 -0.170 0.000 1.039 303 K CB 1.039 33.504 32.500 -0.059 0.000 0.937 303 K HN 0.370 nan 8.250 nan 0.000 0.570 304 T N 1.070 115.259 114.554 -0.608 0.000 2.881 304 T HA 0.650 5.000 4.350 -0.000 0.000 0.290 304 T C -0.805 173.458 174.700 -0.728 0.000 1.000 304 T CA -0.436 61.400 62.100 -0.440 0.000 0.978 304 T CB 0.989 69.726 68.868 -0.219 0.000 0.997 304 T HN -0.160 nan 8.240 nan 0.000 0.443 305 F N 0.794 120.767 119.950 0.039 0.000 2.599 305 F HA 0.617 5.144 4.527 -0.000 0.000 0.311 305 F C 0.196 176.009 175.800 0.022 0.000 1.076 305 F CA -1.013 57.012 58.000 0.041 0.000 0.937 305 F CB 1.954 40.980 39.000 0.044 0.000 1.282 305 F HN 0.381 nan 8.300 nan 0.000 0.460 306 E N 1.410 121.737 120.200 0.211 0.000 2.244 306 E HA 0.359 4.709 4.350 -0.000 0.000 0.260 306 E C -1.683 174.974 176.600 0.094 0.000 0.884 306 E CA -0.268 56.192 56.400 0.099 0.000 0.777 306 E CB 2.056 31.777 29.700 0.036 0.000 1.197 306 E HN 0.582 nan 8.360 nan 0.000 0.416 307 S N 4.078 119.811 115.700 0.056 0.000 2.454 307 S HA 0.531 5.001 4.470 -0.000 0.000 0.306 307 S C -0.955 173.659 174.600 0.023 0.000 1.100 307 S CA -0.385 57.842 58.200 0.044 0.000 1.087 307 S CB 0.818 64.036 63.200 0.030 0.000 1.019 307 S HN 0.591 nan 8.310 nan 0.000 0.480 308 E N 2.310 122.527 120.200 0.028 0.000 2.416 308 E HA 0.655 5.005 4.350 -0.000 0.000 0.280 308 E C -1.007 175.585 176.600 -0.013 0.000 1.055 308 E CA -1.375 55.034 56.400 0.015 0.000 0.825 308 E CB 0.805 30.473 29.700 -0.052 0.000 1.312 308 E HN 0.649 nan 8.360 nan 0.000 0.452 309 A N 0.666 123.447 122.820 -0.064 0.000 2.445 309 A HA 0.499 4.818 4.320 -0.000 0.000 0.242 309 A C 0.941 178.370 177.584 -0.257 0.000 1.075 309 A CA 0.335 52.241 52.037 -0.218 0.000 0.777 309 A CB 0.352 19.011 19.000 -0.569 0.000 1.013 309 A HN 0.865 nan 8.150 nan 0.000 0.493 310 A N 1.240 123.947 122.820 -0.190 0.000 2.238 310 A HA 0.308 4.627 4.320 -0.000 0.000 0.208 310 A C 0.831 178.373 177.584 -0.070 0.000 1.177 310 A CA 1.087 53.063 52.037 -0.102 0.000 0.804 310 A CB -0.780 18.193 19.000 -0.044 0.000 0.823 310 A HN 1.089 nan 8.150 nan 0.000 0.482 311 H N -2.980 116.083 119.070 -0.012 0.000 2.530 311 H HA 0.738 5.294 4.556 -0.000 0.000 0.342 311 H C 0.808 176.119 175.328 -0.028 0.000 1.312 311 H CA -0.515 55.520 56.048 -0.023 0.000 1.376 311 H CB -0.007 29.738 29.762 -0.028 0.000 1.692 311 H HN 0.042 nan 8.280 nan 0.000 0.622 312 G N -1.447 107.494 108.800 0.235 0.000 2.574 312 G HA2 0.256 4.216 3.960 -0.000 0.000 0.248 312 G HA3 0.256 4.216 3.960 -0.000 0.000 0.248 312 G C 0.682 175.683 174.900 0.168 0.000 1.422 312 G CA -0.222 44.952 45.100 0.124 0.000 1.051 312 G HN 0.925 nan 8.290 nan 0.000 0.560 313 T N -2.656 111.928 114.554 0.049 0.000 3.148 313 T HA 0.113 4.462 4.350 -0.000 0.000 0.253 313 T C 0.800 175.501 174.700 0.002 0.000 1.134 313 T CA 0.552 62.657 62.100 0.010 0.000 1.051 313 T CB -0.330 68.504 68.868 -0.056 0.000 0.959 313 T HN 1.320 nan 8.240 nan 0.000 0.525 314 V N 1.556 121.461 119.914 -0.016 0.000 6.078 314 V HA -0.277 3.843 4.120 -0.000 0.000 0.301 314 V C 1.668 177.779 176.094 0.028 0.000 0.571 314 V CA 0.818 63.062 62.300 -0.094 0.000 0.625 314 V CB -3.443 28.248 31.823 -0.220 0.000 0.271 314 V HN 0.674 nan 8.190 nan 0.000 0.788 315 T N 0.095 114.689 114.554 0.067 0.000 2.624 315 T HA -0.316 4.034 4.350 -0.000 0.000 0.268 315 T C 1.851 176.682 174.700 0.217 0.000 1.041 315 T CA 2.260 64.455 62.100 0.159 0.000 1.159 315 T CB -0.168 68.776 68.868 0.127 0.000 0.863 315 T HN 0.610 nan 8.240 nan 0.000 0.434 316 R N 0.271 120.871 120.500 0.167 0.000 2.119 316 R HA -0.110 4.229 4.340 -0.000 0.000 0.246 316 R C 2.275 178.767 176.300 0.319 0.000 1.146 316 R CA 1.496 57.725 56.100 0.216 0.000 0.962 316 R CB -0.596 29.831 30.300 0.211 0.000 0.863 316 R HN 0.539 nan 8.270 nan 0.000 0.442 317 H N -2.248 116.887 119.070 0.108 0.000 2.470 317 H HA -0.044 4.512 4.556 -0.000 0.000 0.289 317 H C 1.272 176.723 175.328 0.206 0.000 1.033 317 H CA 1.009 57.129 56.048 0.119 0.000 1.331 317 H CB -0.345 29.465 29.762 0.081 0.000 1.414 317 H HN 0.229 nan 8.280 nan 0.000 0.545 318 Y N 1.818 122.252 120.300 0.223 0.000 2.200 318 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 318 Y C 2.036 178.072 175.900 0.227 0.000 1.137 318 Y CA 1.109 59.339 58.100 0.218 0.000 1.163 318 Y CB 0.119 38.679 38.460 0.168 0.000 0.988 318 Y HN -0.069 nan 8.280 nan 0.000 0.518 319 R N 0.861 121.448 120.500 0.145 0.000 2.083 319 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 319 R C 2.084 178.376 176.300 -0.014 0.000 1.137 319 R CA 1.764 57.872 56.100 0.013 0.000 0.951 319 R CB -0.791 29.547 30.300 0.063 0.000 0.851 319 R HN 0.410 nan 8.270 nan 0.000 0.434 320 K N -0.291 120.138 120.400 0.048 0.000 2.063 320 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 320 K C 2.126 178.740 176.600 0.023 0.000 1.048 320 K CA 1.593 57.895 56.287 0.025 0.000 0.928 320 K CB -0.451 32.064 32.500 0.025 0.000 0.713 320 K HN 0.145 nan 8.250 nan 0.000 0.442 321 Y N 2.407 122.676 120.300 -0.051 0.000 2.274 321 Y HA -0.231 4.319 4.550 -0.000 0.000 0.290 321 Y C 2.004 177.823 175.900 -0.135 0.000 1.145 321 Y CA 1.523 59.588 58.100 -0.058 0.000 1.203 321 Y CB -0.067 38.390 38.460 -0.004 0.000 0.984 321 Y HN 0.115 nan 8.280 nan 0.000 0.533 322 Q N -0.059 119.569 119.800 -0.287 0.000 2.123 322 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 322 Q C 1.518 177.372 176.000 -0.243 0.000 0.966 322 Q CA 1.251 56.845 55.803 -0.349 0.000 0.845 322 Q CB -0.069 28.483 28.738 -0.310 0.000 0.907 322 Q HN 0.429 nan 8.270 nan 0.000 0.439 323 K N -0.299 120.003 120.400 -0.164 0.000 2.522 323 K HA 0.072 4.391 4.320 -0.000 0.000 0.194 323 K C 0.789 177.320 176.600 -0.114 0.000 1.026 323 K CA 0.434 56.654 56.287 -0.113 0.000 1.119 323 K CB 0.326 32.785 32.500 -0.067 0.000 0.856 323 K HN 0.353 nan 8.250 nan 0.000 0.513 324 G N 1.747 110.444 108.800 -0.172 0.000 2.189 324 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 324 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 324 G C 0.005 174.859 174.900 -0.077 0.000 0.975 324 G CA 0.341 45.354 45.100 -0.145 0.000 0.644 324 G HN 0.491 nan 8.290 nan 0.000 0.537 325 E N 1.360 121.528 120.200 -0.054 0.000 2.383 325 E HA 0.394 4.744 4.350 -0.000 0.000 0.264 325 E C 1.104 177.720 176.600 0.027 0.000 1.050 325 E CA 0.011 56.404 56.400 -0.011 0.000 0.896 325 E CB 0.244 29.938 29.700 -0.010 0.000 0.982 325 E HN 0.641 nan 8.360 nan 0.000 0.424 326 E N 1.505 121.729 120.200 0.040 0.000 2.408 326 E HA 0.132 4.482 4.350 -0.000 0.000 0.259 326 E C -0.577 176.065 176.600 0.070 0.000 1.110 326 E CA -0.366 56.078 56.400 0.072 0.000 0.929 326 E CB 0.864 30.606 29.700 0.070 0.000 0.971 326 E HN 0.443 nan 8.360 nan 0.000 0.438 327 T N -1.420 113.191 114.554 0.096 0.000 2.901 327 T HA 0.472 4.821 4.350 -0.000 0.000 0.293 327 T C -0.444 174.296 174.700 0.066 0.000 1.084 327 T CA -1.035 61.092 62.100 0.046 0.000 1.008 327 T CB 1.760 70.686 68.868 0.096 0.000 1.170 327 T HN 0.346 nan 8.240 nan 0.000 0.509 328 S N 0.973 116.669 115.700 -0.007 0.000 2.317 328 S HA 0.452 4.922 4.470 -0.000 0.000 0.144 328 S C -0.742 173.886 174.600 0.047 0.000 1.660 328 S CA -0.550 57.659 58.200 0.015 0.000 1.273 328 S CB -0.224 62.914 63.200 -0.104 0.000 1.330 328 S HN 0.849 nan 8.310 nan 0.000 0.395 329 T N 3.436 118.068 114.554 0.130 0.000 2.767 329 T HA 0.320 4.670 4.350 -0.000 0.000 0.288 329 T C 0.060 174.761 174.700 0.002 0.000 0.963 329 T CA -0.556 61.629 62.100 0.143 0.000 1.019 329 T CB 0.703 69.671 68.868 0.167 0.000 0.923 329 T HN 0.480 nan 8.240 nan 0.000 0.468 330 N N 2.126 120.770 118.700 -0.094 0.000 2.452 330 N HA 0.019 4.759 4.740 -0.000 0.000 0.266 330 N C 0.936 176.420 175.510 -0.045 0.000 1.175 330 N CA -0.166 52.782 53.050 -0.170 0.000 0.945 330 N CB 0.758 39.126 38.487 -0.198 0.000 1.063 330 N HN 0.662 nan 8.380 nan 0.000 0.472 331 S N 3.104 118.829 115.700 0.041 0.000 2.557 331 S HA 0.172 4.642 4.470 -0.000 0.000 0.223 331 S C 1.885 176.645 174.600 0.267 0.000 0.969 331 S CA -0.420 57.904 58.200 0.207 0.000 0.927 331 S CB -0.225 63.137 63.200 0.269 0.000 0.806 331 S HN 0.593 nan 8.310 nan 0.000 0.489 332 I N 2.066 122.754 120.570 0.197 0.000 2.163 332 I HA -0.234 3.935 4.170 -0.000 0.000 0.243 332 I C 3.008 179.297 176.117 0.286 0.000 1.085 332 I CA 1.539 62.996 61.300 0.263 0.000 1.347 332 I CB -0.585 37.481 38.000 0.109 0.000 1.044 332 I HN 0.486 nan 8.210 nan 0.000 0.408 333 A N -0.092 122.855 122.820 0.212 0.000 1.933 333 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 333 A C 2.464 180.218 177.584 0.284 0.000 1.175 333 A CA 2.178 54.340 52.037 0.208 0.000 0.628 333 A CB -0.620 18.518 19.000 0.230 0.000 0.814 333 A HN 0.417 nan 8.150 nan 0.000 0.444 334 S N -0.155 115.753 115.700 0.348 0.000 2.368 334 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 334 S C 1.787 176.625 174.600 0.396 0.000 1.029 334 S CA 1.334 59.774 58.200 0.399 0.000 0.988 334 S CB -0.462 63.015 63.200 0.463 0.000 0.838 334 S HN 0.554 nan 8.310 nan 0.000 0.462 335 I N 0.432 121.209 120.570 0.345 0.000 2.226 335 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 335 I C 1.871 178.144 176.117 0.260 0.000 1.100 335 I CA 1.292 62.750 61.300 0.263 0.000 1.374 335 I CB -0.350 37.770 38.000 0.201 0.000 1.057 335 I HN 0.180 nan 8.210 nan 0.000 0.413 336 F N 0.949 120.978 119.950 0.131 0.000 2.293 336 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 336 F C 2.541 178.394 175.800 0.089 0.000 1.086 336 F CA 1.123 59.174 58.000 0.085 0.000 1.375 336 F CB -0.664 38.367 39.000 0.052 0.000 1.045 336 F HN -0.003 nan 8.300 nan 0.000 0.516 337 A N -0.941 122.044 122.820 0.275 0.000 1.940 337 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 337 A C 1.982 179.588 177.584 0.038 0.000 1.176 337 A CA 1.610 53.735 52.037 0.147 0.000 0.631 337 A CB -1.286 17.823 19.000 0.182 0.000 0.814 337 A HN 0.526 nan 8.150 nan 0.000 0.446 338 W N 0.753 122.046 121.300 -0.011 0.000 2.407 338 W HA -0.123 4.537 4.660 -0.000 0.000 0.305 338 W C 3.060 179.541 176.519 -0.064 0.000 1.196 338 W CA 1.980 59.283 57.345 -0.069 0.000 1.311 338 W CB -0.519 28.847 29.460 -0.157 0.000 1.135 338 W HN 0.453 nan 8.180 nan 0.000 0.514 339 S N 0.443 116.202 115.700 0.098 0.000 2.359 339 S HA -0.219 4.251 4.470 -0.000 0.000 0.224 339 S C 1.860 176.419 174.600 -0.068 0.000 1.035 339 S CA 1.323 59.472 58.200 -0.084 0.000 1.018 339 S CB -0.528 62.439 63.200 -0.387 0.000 0.876 339 S HN 0.070 nan 8.310 nan 0.000 0.448 340 R N 1.761 122.239 120.500 -0.038 0.000 2.075 340 R HA 0.178 4.518 4.340 -0.000 0.000 0.232 340 R C 2.667 178.939 176.300 -0.045 0.000 1.126 340 R CA 1.449 57.532 56.100 -0.028 0.000 0.963 340 R CB -1.527 28.794 30.300 0.035 0.000 0.858 340 R HN 0.585 nan 8.270 nan 0.000 0.435 341 G N 0.071 108.861 108.800 -0.016 0.000 2.418 341 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.217 341 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.217 341 G C 1.337 176.237 174.900 -0.000 0.000 1.158 341 G CA 0.628 45.716 45.100 -0.020 0.000 0.771 341 G HN 0.251 nan 8.290 nan 0.000 0.545 342 L N -0.321 120.930 121.223 0.046 0.000 2.201 342 L HA 0.043 4.383 4.340 -0.000 0.000 0.212 342 L C 2.630 179.521 176.870 0.034 0.000 1.105 342 L CA 0.113 55.002 54.840 0.082 0.000 0.775 342 L CB -0.275 41.888 42.059 0.173 0.000 0.913 342 L HN 0.203 nan 8.230 nan 0.000 0.440 343 L N -0.221 120.992 121.223 -0.017 0.000 2.056 343 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 343 L C 2.546 179.364 176.870 -0.085 0.000 1.078 343 L CA 1.734 56.544 54.840 -0.050 0.000 0.749 343 L CB -0.482 41.528 42.059 -0.082 0.000 0.901 343 L HN 0.020 nan 8.230 nan 0.000 0.433 344 K N -0.337 119.974 120.400 -0.149 0.000 2.057 344 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 344 K C 2.307 178.866 176.600 -0.069 0.000 1.049 344 K CA 1.124 57.262 56.287 -0.248 0.000 0.931 344 K CB -0.343 31.859 32.500 -0.496 0.000 0.714 344 K HN 0.167 nan 8.250 nan 0.000 0.440 345 R N 0.641 121.140 120.500 -0.002 0.000 2.083 345 R HA -0.097 4.242 4.340 -0.000 0.000 0.237 345 R C 2.206 178.533 176.300 0.046 0.000 1.137 345 R CA 2.053 58.186 56.100 0.053 0.000 0.951 345 R CB -1.094 29.245 30.300 0.065 0.000 0.851 345 R HN 0.296 nan 8.270 nan 0.000 0.434 346 G N -0.242 108.575 108.800 0.028 0.000 2.402 346 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 346 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 346 G C 1.215 176.126 174.900 0.019 0.000 1.162 346 G CA 0.664 45.781 45.100 0.027 0.000 0.777 346 G HN 0.455 nan 8.290 nan 0.000 0.539 347 E N 0.037 120.237 120.200 -0.000 0.000 2.085 347 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 347 E C 2.534 179.154 176.600 0.033 0.000 0.994 347 E CA 0.748 57.149 56.400 0.001 0.000 0.801 347 E CB -0.191 29.488 29.700 -0.034 0.000 0.743 347 E HN 0.388 nan 8.360 nan 0.000 0.453 348 L N 0.820 122.076 121.223 0.056 0.000 2.109 348 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 348 L C 1.352 178.262 176.870 0.066 0.000 1.086 348 L CA 0.800 55.691 54.840 0.086 0.000 0.760 348 L CB -0.104 42.033 42.059 0.130 0.000 0.910 348 L HN 0.030 nan 8.230 nan 0.000 0.437 349 D N -0.439 119.996 120.400 0.058 0.000 2.328 349 D HA -0.066 4.574 4.640 -0.000 0.000 0.226 349 D C 0.525 176.848 176.300 0.037 0.000 1.066 349 D CA 0.133 54.163 54.000 0.050 0.000 0.861 349 D CB -0.348 40.482 40.800 0.051 0.000 0.912 349 D HN 0.190 nan 8.370 nan 0.000 0.521 350 N N 1.117 119.837 118.700 0.033 0.000 2.714 350 N HA -0.187 4.553 4.740 -0.000 0.000 0.252 350 N C -1.032 174.491 175.510 0.022 0.000 1.014 350 N CA 0.683 53.748 53.050 0.025 0.000 0.735 350 N CB -1.106 37.394 38.487 0.023 0.000 0.924 350 N HN 0.007 nan 8.380 nan 0.000 0.540 351 T N 1.695 116.263 114.554 0.024 0.000 3.336 351 T HA 0.237 4.587 4.350 -0.000 0.000 0.384 351 T C -1.250 173.464 174.700 0.023 0.000 1.704 351 T CA -1.004 61.110 62.100 0.023 0.000 1.334 351 T CB 1.509 70.393 68.868 0.027 0.000 1.131 351 T HN 0.210 nan 8.240 nan 0.000 0.684 352 P HA -0.186 nan 4.420 nan 0.000 0.219 352 P C 1.467 178.782 177.300 0.025 0.000 1.144 352 P CA 0.822 63.932 63.100 0.017 0.000 0.806 352 P CB 0.256 31.963 31.700 0.012 0.000 0.771 353 A N 0.002 122.840 122.820 0.029 0.000 1.898 353 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 353 A C 2.228 179.851 177.584 0.066 0.000 1.181 353 A CA 1.417 53.477 52.037 0.039 0.000 0.620 353 A CB -1.511 17.505 19.000 0.027 0.000 0.819 353 A HN 0.209 nan 8.150 nan 0.000 0.442 354 L N -0.042 121.217 121.223 0.059 0.000 2.046 354 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 354 L C 2.383 179.322 176.870 0.115 0.000 1.077 354 L CA 2.187 57.083 54.840 0.092 0.000 0.747 354 L CB -0.966 41.131 42.059 0.064 0.000 0.896 354 L HN 0.454 nan 8.230 nan 0.000 0.432 355 C N -0.225 119.110 119.300 0.058 0.000 2.425 355 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 355 C C 2.776 177.774 174.990 0.014 0.000 1.280 355 C CA 1.157 60.190 59.018 0.025 0.000 1.744 355 C CB -1.058 26.685 27.740 0.004 0.000 1.989 355 C HN 0.613 nan 8.230 nan 0.000 0.491 356 K N 0.203 120.624 120.400 0.035 0.000 2.057 356 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 356 K C 1.966 178.573 176.600 0.011 0.000 1.050 356 K CA 1.447 57.743 56.287 0.016 0.000 0.935 356 K CB -0.431 32.088 32.500 0.031 0.000 0.715 356 K HN 0.410 nan 8.250 nan 0.000 0.439 357 F N 1.605 121.516 119.950 -0.065 0.000 2.069 357 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 357 F C 2.033 177.760 175.800 -0.121 0.000 1.113 357 F CA 1.704 59.647 58.000 -0.095 0.000 1.214 357 F CB -0.798 38.160 39.000 -0.070 0.000 0.978 357 F HN 0.122 nan 8.300 nan 0.000 0.474 358 A N 0.733 123.461 122.820 -0.153 0.000 1.892 358 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 358 A C 2.119 179.497 177.584 -0.343 0.000 1.188 358 A CA 2.151 54.029 52.037 -0.265 0.000 0.631 358 A CB -1.102 17.847 19.000 -0.085 0.000 0.822 358 A HN 0.589 nan 8.150 nan 0.000 0.447 359 N N -0.245 118.316 118.700 -0.232 0.000 2.244 359 N HA -0.045 4.694 4.740 -0.000 0.000 0.183 359 N C 1.615 176.981 175.510 -0.239 0.000 1.016 359 N CA 1.355 54.284 53.050 -0.203 0.000 0.866 359 N CB -0.330 38.087 38.487 -0.116 0.000 0.980 359 N HN 0.589 nan 8.380 nan 0.000 0.430 360 I N 0.417 120.811 120.570 -0.293 0.000 2.617 360 I HA -0.164 4.005 4.170 -0.000 0.000 0.256 360 I C 2.083 177.961 176.117 -0.399 0.000 1.167 360 I CA 0.321 61.444 61.300 -0.294 0.000 1.469 360 I CB 0.031 37.870 38.000 -0.269 0.000 1.098 360 I HN 0.025 nan 8.210 nan 0.000 0.436 361 L N 0.782 121.645 121.223 -0.600 0.000 2.109 361 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 361 L C 2.244 178.870 176.870 -0.407 0.000 1.086 361 L CA 1.870 56.351 54.840 -0.598 0.000 0.760 361 L CB -0.520 41.063 42.059 -0.793 0.000 0.910 361 L HN 0.167 nan 8.230 nan 0.000 0.437 362 E N -1.110 118.831 120.200 -0.431 0.000 2.152 362 E HA -0.117 4.232 4.350 -0.000 0.000 0.192 362 E C 2.085 178.624 176.600 -0.102 0.000 0.983 362 E CA 1.106 57.267 56.400 -0.398 0.000 0.818 362 E CB 0.009 29.385 29.700 -0.541 0.000 0.758 362 E HN 0.488 nan 8.360 nan 0.000 0.467 363 S N 0.920 116.544 115.700 -0.126 0.000 2.371 363 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 363 S C 2.141 176.711 174.600 -0.050 0.000 1.029 363 S CA 0.881 59.047 58.200 -0.057 0.000 0.978 363 S CB -0.081 63.072 63.200 -0.079 0.000 0.833 363 S HN 0.349 nan 8.310 nan 0.000 0.466 364 A N 1.613 124.368 122.820 -0.109 0.000 1.877 364 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 364 A C 2.323 179.869 177.584 -0.063 0.000 1.186 364 A CA 2.045 54.019 52.037 -0.105 0.000 0.620 364 A CB -1.416 17.482 19.000 -0.170 0.000 0.822 364 A HN 0.470 nan 8.150 nan 0.000 0.443 365 T N 0.807 115.340 114.554 -0.036 0.000 2.595 365 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 365 T C 1.861 176.669 174.700 0.180 0.000 1.058 365 T CA 1.598 63.744 62.100 0.077 0.000 1.166 365 T CB -0.528 68.454 68.868 0.190 0.000 0.863 365 T HN 0.347 nan 8.240 nan 0.000 0.415 366 L N 1.167 122.509 121.223 0.198 0.000 2.042 366 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 366 L C 2.594 179.539 176.870 0.124 0.000 1.076 366 L CA 1.126 56.074 54.840 0.181 0.000 0.749 366 L CB -0.708 41.456 42.059 0.173 0.000 0.893 366 L HN 0.287 nan 8.230 nan 0.000 0.432 367 N N -0.539 118.207 118.700 0.076 0.000 2.309 367 N HA -0.124 4.615 4.740 -0.000 0.000 0.182 367 N C 1.756 177.299 175.510 0.055 0.000 1.018 367 N CA 1.441 54.522 53.050 0.051 0.000 0.876 367 N CB -0.163 38.335 38.487 0.018 0.000 0.972 367 N HN 0.301 nan 8.380 nan 0.000 0.434 368 T N 0.628 115.215 114.554 0.054 0.000 2.803 368 T HA -0.055 4.294 4.350 -0.000 0.000 0.269 368 T C 2.078 176.861 174.700 0.139 0.000 1.052 368 T CA 0.815 62.941 62.100 0.043 0.000 1.136 368 T CB 0.059 68.880 68.868 -0.077 0.000 0.864 368 T HN 0.002 nan 8.240 nan 0.000 0.467 369 V N 0.618 120.647 119.914 0.193 0.000 2.341 369 V HA -0.052 4.068 4.120 -0.000 0.000 0.240 369 V C 2.503 178.662 176.094 0.108 0.000 1.035 369 V CA 1.279 63.687 62.300 0.181 0.000 1.033 369 V CB -0.678 31.251 31.823 0.177 0.000 0.678 369 V HN 0.259 nan 8.190 nan 0.000 0.464 370 Q N 0.046 119.900 119.800 0.090 0.000 2.096 370 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 370 Q C 2.139 178.170 176.000 0.052 0.000 0.982 370 Q CA 2.242 58.084 55.803 0.064 0.000 0.850 370 Q CB -0.104 28.668 28.738 0.058 0.000 0.901 370 Q HN 0.706 nan 8.270 nan 0.000 0.422 371 Q N -1.340 118.490 119.800 0.049 0.000 2.388 371 Q HA 0.014 4.353 4.340 -0.000 0.000 0.204 371 Q C 1.413 177.435 176.000 0.037 0.000 0.946 371 Q CA 0.732 56.557 55.803 0.036 0.000 0.880 371 Q CB 0.419 29.173 28.738 0.026 0.000 0.997 371 Q HN 0.350 nan 8.270 nan 0.000 0.552 372 D N 0.014 120.438 120.400 0.039 0.000 2.264 372 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 372 D C 0.898 177.230 176.300 0.054 0.000 0.966 372 D CA 1.263 55.285 54.000 0.037 0.000 0.864 372 D CB -0.075 40.742 40.800 0.028 0.000 0.933 372 D HN 0.475 nan 8.370 nan 0.000 0.499 373 G N 0.844 109.687 108.800 0.071 0.000 2.176 373 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.252 373 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.252 373 G C 0.173 175.137 174.900 0.106 0.000 1.024 373 G CA 0.012 45.160 45.100 0.079 0.000 0.755 373 G HN 0.373 nan 8.290 nan 0.000 0.507 374 I N 0.962 121.619 120.570 0.145 0.000 2.312 374 I HA 0.668 4.838 4.170 -0.000 0.000 0.290 374 I C 0.696 177.019 176.117 0.344 0.000 1.008 374 I CA -0.491 60.934 61.300 0.207 0.000 1.226 374 I CB 1.050 39.150 38.000 0.168 0.000 1.371 374 I HN 0.370 nan 8.210 nan 0.000 0.468 375 M N 3.705 123.464 119.600 0.266 0.000 2.644 375 M HA 0.556 5.036 4.480 -0.000 0.000 0.273 375 M C -0.556 175.775 176.300 0.052 0.000 1.253 375 M CA -0.809 54.559 55.300 0.113 0.000 0.852 375 M CB 2.152 34.781 32.600 0.049 0.000 1.708 375 M HN 0.414 nan 8.290 nan 0.000 0.471 376 T N -1.888 112.565 114.554 -0.168 0.000 2.816 376 T HA 0.324 4.673 4.350 -0.000 0.000 0.282 376 T C 0.775 175.390 174.700 -0.143 0.000 0.993 376 T CA -0.495 61.536 62.100 -0.116 0.000 0.994 376 T CB 1.671 70.405 68.868 -0.224 0.000 1.025 376 T HN 0.944 nan 8.240 nan 0.000 0.529 377 K N 0.737 120.914 120.400 -0.371 0.000 2.044 377 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 377 K C 1.976 178.398 176.600 -0.297 0.000 1.049 377 K CA 2.275 58.156 56.287 -0.676 0.000 0.927 377 K CB -0.462 31.393 32.500 -1.075 0.000 0.713 377 K HN 0.835 nan 8.250 nan 0.000 0.443 378 D N 0.601 120.880 120.400 -0.202 0.000 2.133 378 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 378 D C 1.895 178.141 176.300 -0.089 0.000 0.997 378 D CA 1.161 55.089 54.000 -0.120 0.000 0.840 378 D CB -0.384 40.354 40.800 -0.103 0.000 0.947 378 D HN 0.171 nan 8.370 nan 0.000 0.452 379 L N 1.132 122.299 121.223 -0.092 0.000 2.072 379 L HA 0.080 4.420 4.340 -0.000 0.000 0.205 379 L C 2.865 179.725 176.870 -0.017 0.000 1.079 379 L CA 1.409 56.217 54.840 -0.052 0.000 0.752 379 L CB -1.273 40.748 42.059 -0.063 0.000 0.906 379 L HN 0.151 nan 8.230 nan 0.000 0.436 380 A N -0.665 122.153 122.820 -0.003 0.000 1.902 380 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 380 A C 2.326 179.928 177.584 0.030 0.000 1.181 380 A CA 1.607 53.673 52.037 0.048 0.000 0.623 380 A CB -0.784 18.299 19.000 0.139 0.000 0.818 380 A HN 0.379 nan 8.150 nan 0.000 0.443 381 L N -0.862 120.359 121.223 -0.003 0.000 2.083 381 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 381 L C 3.011 179.878 176.870 -0.006 0.000 1.083 381 L CA 0.994 55.831 54.840 -0.005 0.000 0.752 381 L CB -0.477 41.564 42.059 -0.031 0.000 0.899 381 L HN 0.448 nan 8.230 nan 0.000 0.433 382 A N -1.404 121.410 122.820 -0.011 0.000 2.067 382 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 382 A C 2.090 179.673 177.584 -0.002 0.000 1.158 382 A CA 1.324 53.356 52.037 -0.009 0.000 0.661 382 A CB -0.835 18.160 19.000 -0.008 0.000 0.801 382 A HN 0.562 nan 8.150 nan 0.000 0.452 383 C N -0.979 118.326 119.300 0.008 0.000 2.673 383 C HA 0.447 4.906 4.460 -0.000 0.000 0.274 383 C C 1.951 176.949 174.990 0.014 0.000 1.276 383 C CA 0.120 59.146 59.018 0.014 0.000 1.701 383 C CB -1.277 26.478 27.740 0.025 0.000 1.836 383 C HN 1.002 nan 8.230 nan 0.000 0.596 384 G N 1.834 110.640 108.800 0.011 0.000 2.155 384 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.257 384 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.257 384 G C -0.196 174.718 174.900 0.022 0.000 0.983 384 G CA 0.012 45.119 45.100 0.011 0.000 0.676 384 G HN 0.558 nan 8.290 nan 0.000 0.528 385 N N 0.959 119.680 118.700 0.035 0.000 2.485 385 N HA 0.249 4.989 4.740 -0.000 0.000 0.243 385 N C 0.419 175.973 175.510 0.074 0.000 0.987 385 N CA -0.446 52.635 53.050 0.052 0.000 0.940 385 N CB 0.674 39.199 38.487 0.063 0.000 1.122 385 N HN 0.242 nan 8.380 nan 0.000 0.509 386 N N 0.784 119.523 118.700 0.064 0.000 2.270 386 N HA 0.024 4.764 4.740 -0.000 0.000 0.198 386 N C -0.030 175.543 175.510 0.104 0.000 1.117 386 N CA 0.118 53.216 53.050 0.080 0.000 0.845 386 N CB 1.060 39.576 38.487 0.049 0.000 0.980 386 N HN 0.516 nan 8.380 nan 0.000 0.486 387 E N 0.941 121.194 120.200 0.087 0.000 2.313 387 E HA 0.121 4.471 4.350 -0.000 0.000 0.272 387 E C 0.839 177.439 176.600 -0.000 0.000 1.038 387 E CA -0.435 55.991 56.400 0.043 0.000 0.863 387 E CB 1.724 31.428 29.700 0.006 0.000 1.060 387 E HN -0.116 nan 8.360 nan 0.000 0.402 388 R N 1.451 121.888 120.500 -0.105 0.000 2.081 388 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 388 R C 1.956 177.929 176.300 -0.546 0.000 1.131 388 R CA 1.832 57.680 56.100 -0.420 0.000 0.960 388 R CB -0.786 29.371 30.300 -0.238 0.000 0.856 388 R HN 0.552 nan 8.270 nan 0.000 0.436 389 S N -0.537 115.013 115.700 -0.251 0.000 2.547 389 S HA 0.014 4.484 4.470 -0.000 0.000 0.235 389 S C 1.879 176.400 174.600 -0.133 0.000 0.980 389 S CA 0.795 58.888 58.200 -0.178 0.000 0.941 389 S CB -0.066 63.080 63.200 -0.091 0.000 0.763 389 S HN 0.338 nan 8.310 nan 0.000 0.532 390 A N 0.585 123.339 122.820 -0.110 0.000 2.016 390 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 390 A C 0.866 178.503 177.584 0.089 0.000 1.162 390 A CA 0.418 52.465 52.037 0.016 0.000 0.662 390 A CB -0.440 18.611 19.000 0.086 0.000 0.812 390 A HN 0.828 nan 8.150 nan 0.000 0.450 391 Y N -3.975 116.339 120.300 0.024 0.000 2.730 391 Y HA 0.794 5.344 4.550 -0.000 0.000 0.325 391 Y C -0.382 175.545 175.900 0.044 0.000 1.132 391 Y CA -1.833 56.285 58.100 0.031 0.000 1.206 391 Y CB 0.578 39.047 38.460 0.014 0.000 1.390 391 Y HN -0.081 nan 8.280 nan 0.000 0.555 392 V N 0.337 120.466 119.914 0.357 0.000 3.130 392 V HA 0.489 4.609 4.120 -0.000 0.000 0.310 392 V C -0.308 175.965 176.094 0.298 0.000 1.158 392 V CA -0.362 62.081 62.300 0.239 0.000 1.029 392 V CB 2.534 34.478 31.823 0.202 0.000 1.057 392 V HN 1.182 nan 8.190 nan 0.000 0.436 393 T N -0.021 114.661 114.554 0.214 0.000 2.802 393 T HA 0.107 4.457 4.350 -0.000 0.000 0.305 393 T C 1.203 176.021 174.700 0.196 0.000 1.053 393 T CA 0.624 62.840 62.100 0.193 0.000 1.058 393 T CB 0.868 69.824 68.868 0.147 0.000 0.988 393 T HN 0.764 nan 8.240 nan 0.000 0.539 394 T N 1.580 116.235 114.554 0.168 0.000 2.635 394 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 394 T C 1.988 176.808 174.700 0.200 0.000 1.040 394 T CA 1.882 64.087 62.100 0.174 0.000 1.156 394 T CB -0.369 68.584 68.868 0.142 0.000 0.863 394 T HN 0.858 nan 8.240 nan 0.000 0.430 395 E N 1.735 122.031 120.200 0.159 0.000 2.072 395 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 395 E C 2.000 178.675 176.600 0.124 0.000 0.985 395 E CA 1.076 57.555 56.400 0.132 0.000 0.801 395 E CB -0.539 29.229 29.700 0.112 0.000 0.750 395 E HN 0.595 nan 8.360 nan 0.000 0.452 396 E N 0.282 120.564 120.200 0.137 0.000 2.085 396 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 396 E C 1.813 178.492 176.600 0.131 0.000 0.994 396 E CA 1.145 57.616 56.400 0.117 0.000 0.801 396 E CB -0.327 29.447 29.700 0.123 0.000 0.743 396 E HN 0.205 nan 8.360 nan 0.000 0.453 397 F N 1.132 121.120 119.950 0.064 0.000 2.134 397 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 397 F C 1.831 177.659 175.800 0.047 0.000 1.097 397 F CA 1.222 59.258 58.000 0.060 0.000 1.264 397 F CB -0.119 38.922 39.000 0.070 0.000 1.001 397 F HN -0.074 nan 8.300 nan 0.000 0.479 398 L N -0.070 121.188 121.223 0.058 0.000 2.017 398 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 398 L C 2.253 179.058 176.870 -0.109 0.000 1.073 398 L CA 1.546 56.361 54.840 -0.042 0.000 0.745 398 L CB -0.905 41.192 42.059 0.063 0.000 0.894 398 L HN 0.082 nan 8.230 nan 0.000 0.432 399 D N 0.235 120.607 120.400 -0.047 0.000 2.133 399 D HA -0.213 4.427 4.640 -0.000 0.000 0.195 399 D C 2.188 178.433 176.300 -0.092 0.000 0.997 399 D CA 1.650 55.623 54.000 -0.045 0.000 0.840 399 D CB -0.083 40.712 40.800 -0.007 0.000 0.947 399 D HN 0.373 nan 8.370 nan 0.000 0.452 400 A N 0.694 123.427 122.820 -0.146 0.000 1.877 400 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 400 A C 2.596 180.037 177.584 -0.238 0.000 1.186 400 A CA 1.300 53.230 52.037 -0.178 0.000 0.620 400 A CB -0.772 18.111 19.000 -0.195 0.000 0.822 400 A HN 0.150 nan 8.150 nan 0.000 0.443 401 V N 0.194 119.876 119.914 -0.386 0.000 2.343 401 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 401 V C 2.529 178.514 176.094 -0.182 0.000 1.051 401 V CA 2.362 64.466 62.300 -0.326 0.000 1.036 401 V CB -0.796 30.794 31.823 -0.389 0.000 0.654 401 V HN 0.811 nan 8.190 nan 0.000 0.451 402 E N 0.479 120.596 120.200 -0.139 0.000 2.049 402 E HA -0.313 4.037 4.350 -0.000 0.000 0.198 402 E C 2.228 178.807 176.600 -0.036 0.000 1.007 402 E CA 1.894 58.258 56.400 -0.061 0.000 0.809 402 E CB -0.101 29.579 29.700 -0.034 0.000 0.749 402 E HN 0.568 nan 8.360 nan 0.000 0.450 403 K N 0.006 120.376 120.400 -0.050 0.000 2.057 403 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 403 K C 2.348 178.925 176.600 -0.038 0.000 1.049 403 K CA 1.617 57.885 56.287 -0.030 0.000 0.931 403 K CB -0.157 32.323 32.500 -0.034 0.000 0.714 403 K HN -0.018 nan 8.250 nan 0.000 0.440 404 R N 1.156 121.615 120.500 -0.069 0.000 2.096 404 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 404 R C 2.075 178.326 176.300 -0.081 0.000 1.127 404 R CA 1.007 57.064 56.100 -0.071 0.000 0.968 404 R CB -0.453 29.793 30.300 -0.090 0.000 0.861 404 R HN 0.176 nan 8.270 nan 0.000 0.440 405 L N 0.461 121.620 121.223 -0.107 0.000 2.042 405 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 405 L C 2.088 178.895 176.870 -0.105 0.000 1.076 405 L CA 1.866 56.609 54.840 -0.160 0.000 0.749 405 L CB -0.360 41.577 42.059 -0.205 0.000 0.893 405 L HN 0.469 nan 8.230 nan 0.000 0.432 406 Q N -0.326 119.477 119.800 0.006 0.000 2.096 406 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 406 Q C 2.143 178.169 176.000 0.043 0.000 0.982 406 Q CA 1.741 57.602 55.803 0.097 0.000 0.850 406 Q CB -0.067 28.734 28.738 0.105 0.000 0.901 406 Q HN 0.542 nan 8.270 nan 0.000 0.422 407 K N 0.462 120.865 120.400 0.004 0.000 2.057 407 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 407 K C 2.013 178.604 176.600 -0.015 0.000 1.050 407 K CA 0.934 57.219 56.287 -0.003 0.000 0.935 407 K CB 0.049 32.541 32.500 -0.013 0.000 0.715 407 K HN 0.145 nan 8.250 nan 0.000 0.439 408 E N 0.825 121.000 120.200 -0.043 0.000 2.110 408 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 408 E C 1.981 178.551 176.600 -0.049 0.000 0.988 408 E CA 0.872 57.236 56.400 -0.059 0.000 0.804 408 E CB -0.045 29.593 29.700 -0.103 0.000 0.745 408 E HN 0.273 nan 8.360 nan 0.000 0.458 409 I N 1.292 121.836 120.570 -0.043 0.000 2.493 409 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 409 I C 2.024 178.165 176.117 0.040 0.000 1.160 409 I CA 0.886 62.188 61.300 0.004 0.000 1.445 409 I CB -0.730 37.304 38.000 0.057 0.000 1.086 409 I HN 0.056 nan 8.210 nan 0.000 0.433 410 K N 0.991 121.412 120.400 0.035 0.000 2.218 410 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 410 K C 0.955 177.568 176.600 0.022 0.000 1.046 410 K CA 1.238 57.544 56.287 0.033 0.000 0.933 410 K CB -0.055 32.458 32.500 0.023 0.000 0.728 410 K HN 0.496 nan 8.250 nan 0.000 0.454 411 S N 0.000 115.707 115.700 0.012 0.000 2.498 411 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 411 S CA 0.000 58.204 58.200 0.007 0.000 1.107 411 S CB 0.000 63.201 63.200 0.002 0.000 0.593 411 S HN 0.000 nan 8.310 nan 0.000 0.517