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 1c1b_1_B DATA FIRST_RESID 5 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFWXXXXGI PHPAGLKKKK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFKKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWGL TTPXXXXXXX XXXXXXGYEL HPDKWTVQPI VLPEKDSWTV DATA SEQUENCE NDIQKLVGKL NWASQIYPGI KVRQLCKLLR GTKALTEVIP LTEEAELELA DATA SEQUENCE ENREILKEPV HGVYYDPSKD LIAEIQKQGQ GQWTYQIYQE PFKNLKTGKY DATA SEQUENCE ARMRGAHTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWYNLEKEPI VG 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.153 176.117 0.059 0.000 1.063 5 I CA 0.000 61.337 61.300 0.061 0.000 1.566 5 I CB 0.000 38.046 38.000 0.077 0.000 1.214 6 E N 3.267 123.501 120.200 0.055 0.000 2.415 6 E HA 0.169 4.522 4.350 0.005 0.000 0.263 6 E C -0.816 175.821 176.600 0.061 0.000 0.995 6 E CA 0.253 56.683 56.400 0.051 0.000 0.915 6 E CB 0.699 30.424 29.700 0.042 0.000 0.951 6 E HN 0.589 nan 8.360 nan 0.000 0.449 7 T N 2.043 116.632 114.554 0.058 0.000 2.893 7 T HA 0.223 4.575 4.350 0.005 0.000 0.324 7 T C -0.077 174.657 174.700 0.056 0.000 1.082 7 T CA -0.893 61.247 62.100 0.067 0.000 0.983 7 T CB 0.970 69.882 68.868 0.072 0.000 1.005 7 T HN 0.335 nan 8.240 nan 0.000 0.475 8 V N 6.172 126.118 119.914 0.054 0.000 2.540 8 V HA 0.349 4.472 4.120 0.005 0.000 0.297 8 V C -2.036 174.082 176.094 0.039 0.000 1.024 8 V CA -1.526 60.797 62.300 0.040 0.000 1.105 8 V CB 0.083 31.928 31.823 0.037 0.000 0.938 8 V HN 0.826 nan 8.190 nan 0.000 0.482 9 P HA 0.235 nan 4.420 nan 0.000 0.271 9 P C -0.841 176.451 177.300 -0.013 0.000 1.216 9 P CA 0.034 63.148 63.100 0.023 0.000 0.771 9 P CB 1.249 32.962 31.700 0.022 0.000 0.864 10 V N 3.447 123.338 119.914 -0.037 0.000 2.715 10 V HA 0.571 4.694 4.120 0.005 0.000 0.310 10 V C 0.240 176.290 176.094 -0.074 0.000 1.054 10 V CA -0.576 61.625 62.300 -0.165 0.000 0.928 10 V CB 1.873 33.432 31.823 -0.439 0.000 1.007 10 V HN 0.569 nan 8.190 nan 0.000 0.437 11 K N 2.134 122.492 120.400 -0.070 0.000 2.502 11 K HA 0.663 4.985 4.320 0.005 0.000 0.257 11 K C -1.336 175.338 176.600 0.124 0.000 0.938 11 K CA -0.751 55.600 56.287 0.108 0.000 0.819 11 K CB 2.135 34.650 32.500 0.026 0.000 1.333 11 K HN 0.605 nan 8.250 nan 0.000 0.434 12 L N 3.040 124.359 121.223 0.159 0.000 2.452 12 L HA 0.239 4.582 4.340 0.005 0.000 0.267 12 L C 0.407 177.281 176.870 0.006 0.000 1.188 12 L CA -0.250 54.617 54.840 0.045 0.000 0.821 12 L CB 0.628 42.600 42.059 -0.144 0.000 1.102 12 L HN 0.602 nan 8.230 nan 0.000 0.470 13 K N 2.651 123.050 120.400 -0.003 0.000 2.469 13 K HA 0.080 4.402 4.320 0.005 0.000 0.274 13 K C -2.131 174.472 176.600 0.005 0.000 0.983 13 K CA -1.232 55.056 56.287 0.001 0.000 0.974 13 K CB 0.016 32.521 32.500 0.009 0.000 0.913 13 K HN 0.354 nan 8.250 nan 0.000 0.493 14 P HA -0.081 nan 4.420 nan 0.000 0.263 14 P C 0.468 177.778 177.300 0.017 0.000 1.195 14 P CA 0.609 63.722 63.100 0.021 0.000 0.762 14 P CB 0.622 32.339 31.700 0.029 0.000 0.799 15 G N 1.603 110.414 108.800 0.018 0.000 2.176 15 G HA2 -0.264 3.699 3.960 0.005 0.000 0.253 15 G HA3 -0.264 3.699 3.960 0.005 0.000 0.253 15 G C 0.002 174.910 174.900 0.013 0.000 0.979 15 G CA 0.159 45.270 45.100 0.018 0.000 0.641 15 G HN 0.518 nan 8.290 nan 0.000 0.530 16 M N 0.702 120.302 119.600 -0.001 0.000 2.359 16 M HA 0.701 5.184 4.480 0.005 0.000 0.322 16 M C -0.013 176.264 176.300 -0.039 0.000 1.166 16 M CA -0.513 54.775 55.300 -0.019 0.000 1.067 16 M CB 1.429 34.006 32.600 -0.038 0.000 1.523 16 M HN 0.222 nan 8.290 nan 0.000 0.467 17 D N 0.203 120.578 120.400 -0.041 0.000 2.493 17 D HA 0.640 5.283 4.640 0.005 0.000 0.239 17 D C -0.402 175.804 176.300 -0.157 0.000 1.049 17 D CA -0.345 53.638 54.000 -0.027 0.000 1.008 17 D CB 1.426 42.290 40.800 0.106 0.000 1.398 17 D HN 0.691 nan 8.370 nan 0.000 0.513 18 G N 0.360 109.002 108.800 -0.263 0.000 2.636 18 G HA2 0.370 4.332 3.960 0.005 0.000 0.246 18 G HA3 0.370 4.332 3.960 0.005 0.000 0.246 18 G C -2.199 172.654 174.900 -0.079 0.000 1.216 18 G CA -0.827 43.910 45.100 -0.605 0.000 0.854 18 G HN 0.460 nan 8.290 nan 0.000 0.572 19 P HA 0.306 nan 4.420 nan 0.000 0.279 19 P C -0.996 176.444 177.300 0.233 0.000 1.239 19 P CA -0.320 62.846 63.100 0.111 0.000 0.789 19 P CB 1.327 33.089 31.700 0.103 0.000 0.933 20 K N 1.698 122.210 120.400 0.186 0.000 2.954 20 K HA 0.319 4.642 4.320 0.005 0.000 0.171 20 K C -0.881 175.788 176.600 0.116 0.000 1.079 20 K CA -0.348 56.036 56.287 0.162 0.000 0.908 20 K CB 0.835 33.419 32.500 0.139 0.000 1.142 20 K HN 0.164 nan 8.250 nan 0.000 0.613 21 V N 1.650 121.631 119.914 0.113 0.000 2.427 21 V HA 0.290 4.413 4.120 0.005 0.000 0.286 21 V C 0.191 176.328 176.094 0.072 0.000 1.034 21 V CA -1.071 61.293 62.300 0.107 0.000 0.893 21 V CB 1.207 33.106 31.823 0.127 0.000 0.982 21 V HN 0.403 nan 8.190 nan 0.000 0.452 22 K N 2.686 123.136 120.400 0.083 0.000 2.355 22 K HA 0.270 4.593 4.320 0.005 0.000 0.270 22 K C -0.009 176.583 176.600 -0.014 0.000 1.003 22 K CA -0.362 55.956 56.287 0.051 0.000 0.957 22 K CB 0.425 32.975 32.500 0.085 0.000 0.939 22 K HN 0.645 nan 8.250 nan 0.000 0.482 23 Q N 2.748 122.492 119.800 -0.092 0.000 2.314 23 Q HA 0.071 4.414 4.340 0.005 0.000 0.258 23 Q C -1.099 174.818 176.000 -0.138 0.000 0.954 23 Q CA -0.176 55.463 55.803 -0.273 0.000 0.890 23 Q CB 0.600 29.230 28.738 -0.180 0.000 1.210 23 Q HN 0.416 nan 8.270 nan 0.000 0.410 24 W N 3.675 124.977 121.300 0.002 0.000 2.283 24 W HA 0.414 5.077 4.660 0.005 0.000 0.341 24 W C -2.141 174.350 176.519 -0.046 0.000 1.206 24 W CA -2.596 54.731 57.345 -0.030 0.000 1.294 24 W CB -0.986 28.436 29.460 -0.062 0.000 1.154 24 W HN 0.540 nan 8.180 nan 0.000 0.613 25 P HA 0.160 nan 4.420 nan 0.000 0.268 25 P C -0.356 176.985 177.300 0.069 0.000 1.205 25 P CA 0.313 63.455 63.100 0.069 0.000 0.771 25 P CB 0.591 32.307 31.700 0.026 0.000 0.858 26 L N 1.280 122.518 121.223 0.026 0.000 2.354 26 L HA 0.531 4.874 4.340 0.005 0.000 0.264 26 L C 0.859 177.718 176.870 -0.017 0.000 1.008 26 L CA -0.876 53.972 54.840 0.014 0.000 0.819 26 L CB 2.130 44.188 42.059 -0.001 0.000 1.339 26 L HN 0.336 nan 8.230 nan 0.000 0.420 27 T N -3.391 111.146 114.554 -0.027 0.000 2.816 27 T HA 0.128 4.480 4.350 0.005 0.000 0.282 27 T C 0.844 175.504 174.700 -0.066 0.000 0.993 27 T CA -0.440 61.641 62.100 -0.032 0.000 0.994 27 T CB 1.583 70.444 68.868 -0.012 0.000 1.025 27 T HN 0.758 nan 8.240 nan 0.000 0.529 28 E N 0.296 120.463 120.200 -0.055 0.000 2.049 28 E HA -0.228 4.125 4.350 0.005 0.000 0.198 28 E C 2.018 178.540 176.600 -0.130 0.000 1.007 28 E CA 1.644 57.999 56.400 -0.073 0.000 0.809 28 E CB -0.104 29.568 29.700 -0.046 0.000 0.749 28 E HN 0.837 nan 8.360 nan 0.000 0.450 29 E N 0.240 120.363 120.200 -0.129 0.000 2.055 29 E HA -0.295 4.058 4.350 0.005 0.000 0.209 29 E C 2.084 178.380 176.600 -0.507 0.000 1.036 29 E CA 2.024 58.286 56.400 -0.229 0.000 0.849 29 E CB -0.027 29.613 29.700 -0.100 0.000 0.767 29 E HN 0.189 nan 8.360 nan 0.000 0.461 30 K N 0.089 120.186 120.400 -0.506 0.000 2.063 30 K HA -0.160 4.162 4.320 0.005 0.000 0.208 30 K C 2.230 178.600 176.600 -0.383 0.000 1.048 30 K CA 1.428 57.361 56.287 -0.589 0.000 0.928 30 K CB -0.212 32.127 32.500 -0.268 0.000 0.713 30 K HN 0.241 nan 8.250 nan 0.000 0.442 31 I N 1.295 121.724 120.570 -0.236 0.000 2.179 31 I HA -0.285 3.888 4.170 0.005 0.000 0.242 31 I C 2.239 178.254 176.117 -0.171 0.000 1.088 31 I CA 1.327 62.532 61.300 -0.158 0.000 1.357 31 I CB -0.286 37.654 38.000 -0.100 0.000 1.051 31 I HN 0.152 nan 8.210 nan 0.000 0.409 32 K N 0.969 121.251 120.400 -0.197 0.000 2.063 32 K HA -0.201 4.122 4.320 0.005 0.000 0.208 32 K C 2.266 178.742 176.600 -0.206 0.000 1.048 32 K CA 1.697 57.881 56.287 -0.171 0.000 0.928 32 K CB -0.271 32.133 32.500 -0.161 0.000 0.713 32 K HN 0.334 nan 8.250 nan 0.000 0.442 33 A N 1.273 123.880 122.820 -0.355 0.000 1.902 33 A HA -0.125 4.197 4.320 0.005 0.000 0.217 33 A C 2.121 179.582 177.584 -0.205 0.000 1.181 33 A CA 1.205 53.027 52.037 -0.359 0.000 0.623 33 A CB -0.574 17.964 19.000 -0.771 0.000 0.818 33 A HN 0.163 nan 8.150 nan 0.000 0.443 34 L N -0.553 120.551 121.223 -0.198 0.000 2.083 34 L HA -0.151 4.192 4.340 0.005 0.000 0.209 34 L C 2.523 179.356 176.870 -0.062 0.000 1.083 34 L CA 0.912 55.683 54.840 -0.116 0.000 0.752 34 L CB -0.490 41.511 42.059 -0.097 0.000 0.899 34 L HN 0.245 nan 8.230 nan 0.000 0.433 35 V N -0.154 119.728 119.914 -0.054 0.000 2.295 35 V HA -0.322 3.801 4.120 0.005 0.000 0.246 35 V C 2.449 178.525 176.094 -0.029 0.000 1.049 35 V CA 2.021 64.315 62.300 -0.009 0.000 1.024 35 V CB -0.411 31.400 31.823 -0.021 0.000 0.648 35 V HN 0.474 nan 8.190 nan 0.000 0.447 36 E N -0.135 120.031 120.200 -0.057 0.000 2.051 36 E HA -0.211 4.142 4.350 0.005 0.000 0.192 36 E C 2.164 178.728 176.600 -0.059 0.000 0.991 36 E CA 1.610 57.980 56.400 -0.051 0.000 0.799 36 E CB -0.154 29.515 29.700 -0.051 0.000 0.748 36 E HN 0.599 nan 8.360 nan 0.000 0.449 37 I N 0.151 120.678 120.570 -0.071 0.000 2.394 37 I HA -0.294 3.878 4.170 0.005 0.000 0.251 37 I C 2.290 178.323 176.117 -0.141 0.000 1.136 37 I CA 0.472 61.721 61.300 -0.086 0.000 1.425 37 I CB -0.081 37.874 38.000 -0.076 0.000 1.079 37 I HN 0.337 nan 8.210 nan 0.000 0.425 38 C N 0.298 119.508 119.300 -0.151 0.000 2.492 38 C HA -0.092 4.370 4.460 0.005 0.000 0.279 38 C C 3.127 177.956 174.990 -0.268 0.000 1.335 38 C CA 1.380 60.228 59.018 -0.283 0.000 1.734 38 C CB -1.028 26.538 27.740 -0.290 0.000 2.027 38 C HN 0.597 nan 8.230 nan 0.000 0.496 39 T N -0.128 114.360 114.554 -0.110 0.000 2.759 39 T HA -0.239 4.114 4.350 0.005 0.000 0.269 39 T C 1.506 176.150 174.700 -0.094 0.000 1.042 39 T CA 2.025 64.090 62.100 -0.058 0.000 1.140 39 T CB -0.350 68.508 68.868 -0.016 0.000 0.864 39 T HN 0.537 nan 8.240 nan 0.000 0.455 40 E N 1.259 121.396 120.200 -0.105 0.000 2.077 40 E HA -0.013 4.340 4.350 0.005 0.000 0.193 40 E C 2.194 178.708 176.600 -0.142 0.000 0.989 40 E CA 1.197 57.536 56.400 -0.101 0.000 0.800 40 E CB -0.510 29.137 29.700 -0.088 0.000 0.746 40 E HN 0.603 nan 8.360 nan 0.000 0.452 41 M N -0.065 119.408 119.600 -0.211 0.000 2.296 41 M HA -0.097 4.386 4.480 0.005 0.000 0.265 41 M C 2.262 178.416 176.300 -0.243 0.000 1.064 41 M CA 1.381 56.519 55.300 -0.270 0.000 1.109 41 M CB -0.137 32.236 32.600 -0.378 0.000 1.396 41 M HN 0.161 nan 8.290 nan 0.000 0.430 42 E N 1.064 121.123 120.200 -0.235 0.000 2.051 42 E HA -0.201 4.152 4.350 0.005 0.000 0.192 42 E C 1.822 178.370 176.600 -0.087 0.000 0.991 42 E CA 1.317 57.624 56.400 -0.156 0.000 0.799 42 E CB 0.166 29.819 29.700 -0.079 0.000 0.748 42 E HN 0.407 nan 8.360 nan 0.000 0.449 43 K N 0.407 120.763 120.400 -0.074 0.000 2.032 43 K HA -0.169 4.154 4.320 0.005 0.000 0.209 43 K C 1.859 178.429 176.600 -0.049 0.000 1.048 43 K CA 1.671 57.929 56.287 -0.049 0.000 0.927 43 K CB -0.097 32.377 32.500 -0.043 0.000 0.712 43 K HN 0.216 nan 8.250 nan 0.000 0.441 44 E N -0.207 119.951 120.200 -0.069 0.000 2.526 44 E HA -0.028 4.324 4.350 0.005 0.000 0.198 44 E C 0.808 177.378 176.600 -0.050 0.000 1.091 44 E CA 0.289 56.655 56.400 -0.058 0.000 0.880 44 E CB 0.018 29.672 29.700 -0.077 0.000 0.873 44 E HN 0.519 nan 8.360 nan 0.000 0.527 45 G N 1.966 110.733 108.800 -0.056 0.000 2.166 45 G HA2 -0.357 3.606 3.960 0.005 0.000 0.260 45 G HA3 -0.357 3.606 3.960 0.005 0.000 0.260 45 G C 1.028 175.903 174.900 -0.042 0.000 0.986 45 G CA 0.789 45.866 45.100 -0.038 0.000 0.683 45 G HN 0.188 nan 8.290 nan 0.000 0.527 46 K N -0.280 120.064 120.400 -0.093 0.000 2.097 46 K HA 0.106 4.429 4.320 0.005 0.000 0.205 46 K C 1.648 178.177 176.600 -0.118 0.000 1.050 46 K CA 1.663 57.891 56.287 -0.099 0.000 0.938 46 K CB -0.037 32.308 32.500 -0.258 0.000 0.718 46 K HN 0.904 nan 8.250 nan 0.000 0.442 47 I N -3.182 117.263 120.570 -0.208 0.000 3.074 47 I HA 0.403 4.576 4.170 0.005 0.000 0.310 47 I C -1.058 174.990 176.117 -0.115 0.000 1.153 47 I CA -0.910 60.245 61.300 -0.240 0.000 0.993 47 I CB 2.607 40.311 38.000 -0.493 0.000 1.237 47 I HN -0.307 nan 8.210 nan 0.000 0.443 48 S N 1.733 117.422 115.700 -0.019 0.000 2.541 48 S HA 0.456 4.929 4.470 0.005 0.000 0.280 48 S C -0.839 173.826 174.600 0.109 0.000 1.112 48 S CA -0.943 57.291 58.200 0.057 0.000 0.925 48 S CB 1.979 65.182 63.200 0.005 0.000 1.067 48 S HN 0.545 nan 8.310 nan 0.000 0.479 49 K N 1.993 122.430 120.400 0.061 0.000 2.414 49 K HA 0.373 4.696 4.320 0.005 0.000 0.272 49 K C 0.013 176.523 176.600 -0.150 0.000 0.993 49 K CA 0.119 56.307 56.287 -0.166 0.000 0.964 49 K CB 0.174 32.556 32.500 -0.197 0.000 0.925 49 K HN 0.606 nan 8.250 nan 0.000 0.487 50 I N -2.137 118.307 120.570 -0.210 0.000 3.108 50 I HA 0.610 4.782 4.170 0.005 0.000 0.312 50 I C 0.253 176.278 176.117 -0.153 0.000 1.095 50 I CA -1.210 59.998 61.300 -0.154 0.000 1.000 50 I CB 1.876 39.790 38.000 -0.143 0.000 1.229 50 I HN 0.564 nan 8.210 nan 0.000 0.454 51 G N 0.987 109.715 108.800 -0.119 0.000 2.532 51 G HA2 0.537 4.500 3.960 0.005 0.000 0.291 51 G HA3 0.537 4.500 3.960 0.005 0.000 0.291 51 G C -1.903 172.931 174.900 -0.110 0.000 1.349 51 G CA -1.104 43.931 45.100 -0.109 0.000 1.038 51 G HN 0.632 nan 8.290 nan 0.000 0.518 52 P HA 0.048 nan 4.420 nan 0.000 0.251 52 P C 1.150 178.390 177.300 -0.099 0.000 1.223 52 P CA 0.476 63.518 63.100 -0.096 0.000 0.796 52 P CB 0.476 32.127 31.700 -0.083 0.000 1.068 53 E N 0.125 120.268 120.200 -0.095 0.000 2.204 53 E HA -0.126 4.227 4.350 0.005 0.000 0.194 53 E C 0.652 177.174 176.600 -0.130 0.000 0.989 53 E CA 0.604 56.946 56.400 -0.098 0.000 0.824 53 E CB -1.174 28.478 29.700 -0.080 0.000 0.756 53 E HN 0.170 nan 8.360 nan 0.000 0.477 54 N N 2.563 121.183 118.700 -0.132 0.000 2.411 54 N HA 0.048 4.791 4.740 0.005 0.000 0.259 54 N C -1.654 173.732 175.510 -0.205 0.000 1.103 54 N CA -1.524 51.427 53.050 -0.164 0.000 0.954 54 N CB 1.459 39.885 38.487 -0.102 0.000 1.085 54 N HN -0.060 nan 8.380 nan 0.000 0.485 55 P HA 0.051 nan 4.420 nan 0.000 0.252 55 P C -0.294 176.838 177.300 -0.279 0.000 1.218 55 P CA 0.257 63.156 63.100 -0.335 0.000 0.807 55 P CB 0.245 31.703 31.700 -0.403 0.000 1.072 56 Y N 1.017 121.319 120.300 0.002 0.000 2.299 56 Y HA 0.445 4.998 4.550 0.004 0.000 0.335 56 Y C 1.278 177.192 175.900 0.023 0.000 1.287 56 Y CA -0.318 57.801 58.100 0.033 0.000 1.424 56 Y CB 0.227 38.726 38.460 0.066 0.000 1.326 56 Y HN -0.046 nan 8.280 nan 0.000 0.567 57 N N -0.759 118.088 118.700 0.245 0.000 3.134 57 N HA 0.143 4.886 4.740 0.005 0.000 0.235 57 N C -2.044 173.547 175.510 0.134 0.000 1.092 57 N CA -0.248 52.891 53.050 0.148 0.000 1.038 57 N CB 1.567 40.099 38.487 0.075 0.000 1.684 57 N HN 0.638 nan 8.380 nan 0.000 0.551 58 T N 3.112 117.735 114.554 0.116 0.000 2.876 58 T HA 0.572 4.925 4.350 0.005 0.000 0.289 58 T C -2.668 171.991 174.700 -0.069 0.000 1.014 58 T CA -0.949 61.175 62.100 0.040 0.000 0.986 58 T CB 2.227 71.099 68.868 0.006 0.000 1.021 58 T HN 0.355 nan 8.240 nan 0.000 0.458 59 P HA 0.419 nan 4.420 nan 0.000 0.277 59 P C -0.881 176.150 177.300 -0.447 0.000 1.240 59 P CA -0.427 62.388 63.100 -0.476 0.000 0.798 59 P CB 0.984 32.139 31.700 -0.907 0.000 0.979 60 V N -0.080 119.551 119.914 -0.471 0.000 3.078 60 V HA 0.901 5.023 4.120 0.005 0.000 0.311 60 V C -0.644 175.406 176.094 -0.073 0.000 1.138 60 V CA -0.962 61.176 62.300 -0.269 0.000 1.007 60 V CB 1.720 33.316 31.823 -0.377 0.000 1.045 60 V HN 0.722 nan 8.190 nan 0.000 0.432 61 F N -0.008 119.815 119.950 -0.213 0.000 2.985 61 F HA 1.026 5.556 4.527 0.005 0.000 0.322 61 F C -0.583 175.206 175.800 -0.017 0.000 1.187 61 F CA -0.748 57.205 58.000 -0.079 0.000 0.910 61 F CB 0.999 40.062 39.000 0.106 0.000 1.411 61 F HN 0.962 nan 8.300 nan 0.000 0.492 62 A N 1.189 124.015 122.820 0.011 0.000 2.401 62 A HA 0.909 5.232 4.320 0.005 0.000 0.310 62 A C -0.962 176.777 177.584 0.259 0.000 1.075 62 A CA -0.675 51.383 52.037 0.035 0.000 0.746 62 A CB 1.425 20.469 19.000 0.073 0.000 1.277 62 A HN 1.219 nan 8.150 nan 0.000 0.425 63 I N -2.250 118.440 120.570 0.201 0.000 3.343 63 I HA 0.752 4.925 4.170 0.005 0.000 0.315 63 I C -1.145 174.940 176.117 -0.054 0.000 1.153 63 I CA -1.245 60.125 61.300 0.116 0.000 0.952 63 I CB 2.440 40.472 38.000 0.054 0.000 1.287 63 I HN 0.486 nan 8.210 nan 0.000 0.472 64 K N 2.069 122.343 120.400 -0.209 0.000 2.637 64 K HA 0.418 4.741 4.320 0.005 0.000 0.248 64 K C -1.207 175.283 176.600 -0.184 0.000 0.971 64 K CA -0.785 55.319 56.287 -0.306 0.000 0.858 64 K CB 2.405 34.555 32.500 -0.583 0.000 1.170 64 K HN 0.491 nan 8.250 nan 0.000 0.443 65 K N 1.256 121.576 120.400 -0.133 0.000 2.229 65 K HA 0.003 4.326 4.320 0.005 0.000 0.250 65 K C 0.247 176.791 176.600 -0.093 0.000 1.016 65 K CA -0.191 56.036 56.287 -0.099 0.000 0.866 65 K CB 0.228 32.680 32.500 -0.080 0.000 1.028 65 K HN 0.188 nan 8.250 nan 0.000 0.514 66 K N 1.197 121.563 120.400 -0.057 0.000 2.401 66 K HA -0.103 4.220 4.320 0.005 0.000 0.278 66 K C 0.068 176.636 176.600 -0.053 0.000 1.018 66 K CA 1.247 57.511 56.287 -0.038 0.000 0.981 66 K CB 0.284 32.791 32.500 0.012 0.000 0.933 66 K HN 0.741 nan 8.250 nan 0.000 0.477 67 D N 0.730 121.096 120.400 -0.055 0.000 2.593 67 D HA -0.241 4.402 4.640 0.005 0.000 0.176 67 D C -0.540 175.710 176.300 -0.083 0.000 1.580 67 D CA 2.006 55.968 54.000 -0.062 0.000 1.831 67 D CB -1.348 39.413 40.800 -0.066 0.000 1.384 67 D HN 0.464 nan 8.370 nan 0.000 0.479 68 S N -0.599 115.043 115.700 -0.097 0.000 2.544 68 S HA 0.343 4.816 4.470 0.005 0.000 0.290 68 S C 0.768 175.276 174.600 -0.154 0.000 1.276 68 S CA 1.020 59.150 58.200 -0.116 0.000 1.075 68 S CB 0.443 63.572 63.200 -0.119 0.000 0.849 68 S HN 0.545 nan 8.310 nan 0.000 0.494 69 T N 1.618 116.086 114.554 -0.144 0.000 3.355 69 T HA 0.470 4.822 4.350 0.005 0.000 0.276 69 T C -0.418 174.177 174.700 -0.176 0.000 1.003 69 T CA -0.725 61.272 62.100 -0.172 0.000 0.943 69 T CB 0.025 68.829 68.868 -0.107 0.000 1.158 69 T HN 0.393 nan 8.240 nan 0.000 0.513 70 K N 0.778 121.062 120.400 -0.194 0.000 2.468 70 K HA 0.569 4.892 4.320 0.005 0.000 0.252 70 K C -1.579 174.932 176.600 -0.148 0.000 0.932 70 K CA -0.691 55.530 56.287 -0.110 0.000 0.794 70 K CB 1.372 33.854 32.500 -0.030 0.000 1.241 70 K HN 0.286 nan 8.250 nan 0.000 0.428 71 W N 3.302 124.582 121.300 -0.033 0.000 2.190 71 W HA 0.348 5.010 4.660 0.004 0.000 0.330 71 W C 0.858 177.346 176.519 -0.052 0.000 1.299 71 W CA -0.091 57.227 57.345 -0.044 0.000 1.215 71 W CB 0.559 29.992 29.460 -0.045 0.000 1.147 71 W HN 0.102 nan 8.180 nan 0.000 0.563 72 R N 3.368 123.970 120.500 0.170 0.000 2.740 72 R HA 0.357 4.699 4.340 0.005 0.000 0.282 72 R C -0.949 175.368 176.300 0.028 0.000 0.969 72 R CA -1.013 55.129 56.100 0.070 0.000 0.918 72 R CB 1.724 32.031 30.300 0.012 0.000 1.175 72 R HN 0.572 nan 8.270 nan 0.000 0.464 73 K N 3.171 123.563 120.400 -0.014 0.000 2.201 73 K HA 0.289 4.612 4.320 0.005 0.000 0.278 73 K C -1.134 175.366 176.600 -0.166 0.000 1.027 73 K CA -0.619 55.604 56.287 -0.107 0.000 0.909 73 K CB 0.763 33.203 32.500 -0.099 0.000 1.062 73 K HN 0.252 nan 8.250 nan 0.000 0.465 74 L N 5.141 126.138 121.223 -0.377 0.000 2.381 74 L HA 0.418 4.760 4.340 0.005 0.000 0.274 74 L C -1.559 175.098 176.870 -0.356 0.000 0.988 74 L CA -0.667 53.925 54.840 -0.413 0.000 0.824 74 L CB 1.871 43.489 42.059 -0.736 0.000 1.263 74 L HN 0.363 nan 8.230 nan 0.000 0.410 75 V N 3.579 123.394 119.914 -0.165 0.000 2.483 75 V HA 0.365 4.488 4.120 0.005 0.000 0.295 75 V C -0.477 175.565 176.094 -0.088 0.000 1.035 75 V CA -0.668 61.468 62.300 -0.272 0.000 0.896 75 V CB 1.653 33.068 31.823 -0.679 0.000 0.986 75 V HN 0.741 nan 8.190 nan 0.000 0.447 76 D N 3.174 123.579 120.400 0.008 0.000 2.517 76 D HA 0.208 4.851 4.640 0.005 0.000 0.220 76 D C 0.437 176.793 176.300 0.093 0.000 1.158 76 D CA -0.062 54.063 54.000 0.208 0.000 0.992 76 D CB -0.156 40.894 40.800 0.416 0.000 1.058 76 D HN 0.476 nan 8.370 nan 0.000 0.516 77 F N 1.336 121.408 119.950 0.204 0.000 2.769 77 F HA 0.158 4.688 4.527 0.005 0.000 0.304 77 F C 2.159 178.064 175.800 0.175 0.000 1.158 77 F CA -0.410 57.700 58.000 0.183 0.000 1.398 77 F CB 0.270 39.397 39.000 0.213 0.000 1.094 77 F HN 0.160 nan 8.300 nan 0.000 0.553 78 R N 0.395 121.073 120.500 0.297 0.000 2.112 78 R HA -0.196 4.147 4.340 0.005 0.000 0.242 78 R C 2.089 178.490 176.300 0.167 0.000 1.137 78 R CA 1.655 57.865 56.100 0.183 0.000 0.944 78 R CB -0.288 30.048 30.300 0.060 0.000 0.857 78 R HN 0.240 nan 8.270 nan 0.000 0.435 79 E N 0.679 120.978 120.200 0.166 0.000 2.031 79 E HA -0.200 4.153 4.350 0.005 0.000 0.193 79 E C 2.019 178.713 176.600 0.156 0.000 0.994 79 E CA 0.963 57.445 56.400 0.136 0.000 0.800 79 E CB -0.372 29.405 29.700 0.127 0.000 0.752 79 E HN 0.137 nan 8.360 nan 0.000 0.447 80 L N 2.080 123.442 121.223 0.231 0.000 2.042 80 L HA -0.174 4.169 4.340 0.005 0.000 0.210 80 L C 1.672 178.703 176.870 0.268 0.000 1.076 80 L CA 1.704 56.675 54.840 0.217 0.000 0.749 80 L CB -0.713 41.514 42.059 0.281 0.000 0.893 80 L HN 0.011 nan 8.230 nan 0.000 0.432 81 N N 0.281 119.166 118.700 0.307 0.000 2.043 81 N HA -0.207 4.535 4.740 0.005 0.000 0.193 81 N C 1.740 177.344 175.510 0.158 0.000 1.037 81 N CA 1.699 54.898 53.050 0.249 0.000 0.851 81 N CB -0.290 38.311 38.487 0.189 0.000 1.027 81 N HN 0.452 nan 8.380 nan 0.000 0.422 82 K N 0.727 121.201 120.400 0.123 0.000 2.218 82 K HA -0.098 4.225 4.320 0.005 0.000 0.205 82 K C 1.542 178.185 176.600 0.070 0.000 1.046 82 K CA 1.041 57.376 56.287 0.079 0.000 0.933 82 K CB -0.059 32.476 32.500 0.058 0.000 0.728 82 K HN 0.296 nan 8.250 nan 0.000 0.454 83 R N 0.130 120.679 120.500 0.082 0.000 2.334 83 R HA 0.084 4.427 4.340 0.005 0.000 0.216 83 R C 0.152 176.497 176.300 0.075 0.000 0.905 83 R CA 0.134 56.263 56.100 0.048 0.000 1.064 83 R CB 0.481 30.778 30.300 -0.005 0.000 1.046 83 R HN -0.058 nan 8.270 nan 0.000 0.508 84 T N 2.989 117.637 114.554 0.155 0.000 2.817 84 T HA 0.065 4.417 4.350 0.005 0.000 0.293 84 T C -0.019 174.713 174.700 0.053 0.000 0.964 84 T CA -0.559 61.664 62.100 0.206 0.000 1.085 84 T CB 1.287 70.405 68.868 0.417 0.000 0.921 84 T HN 0.248 nan 8.240 nan 0.000 0.502 85 Q N 3.032 122.793 119.800 -0.065 0.000 2.348 85 Q HA 0.002 4.345 4.340 0.005 0.000 0.331 85 Q C -0.543 175.214 176.000 -0.405 0.000 1.099 85 Q CA 0.136 55.798 55.803 -0.234 0.000 1.021 85 Q CB 0.372 28.882 28.738 -0.380 0.000 1.166 85 Q HN 0.472 nan 8.270 nan 0.000 0.393 86 D N 1.479 121.734 120.400 -0.243 0.000 2.398 86 D HA 0.214 4.857 4.640 0.005 0.000 0.247 86 D C -0.660 175.360 176.300 -0.467 0.000 1.227 86 D CA 0.079 54.009 54.000 -0.117 0.000 0.980 86 D CB 0.410 41.263 40.800 0.088 0.000 1.106 86 D HN 0.458 nan 8.370 nan 0.000 0.493 87 F N 0.612 120.489 119.950 -0.123 0.000 2.430 87 F HA 0.270 4.800 4.527 0.005 0.000 0.362 87 F C 0.041 175.805 175.800 -0.060 0.000 1.103 87 F CA -1.183 56.684 58.000 -0.221 0.000 1.045 87 F CB 0.430 39.293 39.000 -0.228 0.000 1.276 87 F HN 0.324 nan 8.300 nan 0.000 0.444 94 I N 2.839 123.429 120.570 0.032 0.000 2.406 94 I HA 0.747 4.920 4.170 0.005 0.000 0.290 94 I C -2.344 173.882 176.117 0.181 0.000 0.999 94 I CA -2.469 58.872 61.300 0.069 0.000 1.124 94 I CB 1.481 39.483 38.000 0.002 0.000 1.289 94 I HN 0.281 nan 8.210 nan 0.000 0.441 95 P HA 0.313 nan 4.420 nan 0.000 0.274 95 P C -1.628 175.909 177.300 0.395 0.000 1.246 95 P CA -0.013 63.233 63.100 0.244 0.000 0.795 95 P CB 0.313 32.106 31.700 0.154 0.000 1.006 96 H N 1.256 120.440 119.070 0.189 0.000 2.466 96 H HA 0.456 5.015 4.556 0.005 0.000 0.338 96 H C -2.315 172.968 175.328 -0.075 0.000 1.091 96 H CA -1.881 54.163 56.048 -0.007 0.000 1.207 96 H CB 0.651 30.354 29.762 -0.099 0.000 1.466 96 H HN 0.254 nan 8.280 nan 0.000 0.493 97 P HA 0.260 nan 4.420 nan 0.000 0.296 97 P C -0.362 176.562 177.300 -0.627 0.000 1.306 97 P CA -0.670 62.144 63.100 -0.477 0.000 0.818 97 P CB 1.900 33.437 31.700 -0.272 0.000 0.969 98 A N 2.815 125.444 122.820 -0.318 0.000 2.235 98 A HA 0.175 4.498 4.320 0.005 0.000 0.208 98 A C 1.898 179.363 177.584 -0.198 0.000 1.172 98 A CA 1.132 53.033 52.037 -0.227 0.000 0.786 98 A CB -0.954 17.987 19.000 -0.098 0.000 0.804 98 A HN 0.660 nan 8.150 nan 0.000 0.479 99 G N 0.926 109.604 108.800 -0.204 0.000 2.404 99 G HA2 -0.114 3.849 3.960 0.005 0.000 0.213 99 G HA3 -0.114 3.849 3.960 0.005 0.000 0.213 99 G C 1.490 176.303 174.900 -0.145 0.000 1.189 99 G CA 0.903 45.920 45.100 -0.140 0.000 0.796 99 G HN 0.788 nan 8.290 nan 0.000 0.532 100 L N 0.293 121.416 121.223 -0.167 0.000 2.265 100 L HA 0.065 4.407 4.340 0.005 0.000 0.215 100 L C 2.563 179.318 176.870 -0.191 0.000 1.117 100 L CA 2.123 56.881 54.840 -0.137 0.000 0.782 100 L CB -0.562 41.444 42.059 -0.088 0.000 0.914 100 L HN 0.363 nan 8.230 nan 0.000 0.441 101 K N 0.854 121.120 120.400 -0.223 0.000 2.209 101 K HA -0.126 4.197 4.320 0.005 0.000 0.204 101 K C 1.793 178.241 176.600 -0.254 0.000 1.048 101 K CA 1.342 57.475 56.287 -0.257 0.000 0.940 101 K CB -0.198 32.153 32.500 -0.248 0.000 0.729 101 K HN 0.400 nan 8.250 nan 0.000 0.451 102 K N 0.849 121.136 120.400 -0.188 0.000 2.128 102 K HA 0.071 4.394 4.320 0.005 0.000 0.202 102 K C 0.189 176.701 176.600 -0.146 0.000 1.050 102 K CA 0.079 56.274 56.287 -0.153 0.000 0.966 102 K CB 0.118 32.554 32.500 -0.107 0.000 0.759 102 K HN -0.032 nan 8.250 nan 0.000 0.454 103 K N 2.058 122.384 120.400 -0.124 0.000 2.600 103 K HA -0.160 4.162 4.320 0.005 0.000 0.280 103 K C 0.871 177.399 176.600 -0.119 0.000 0.971 103 K CA 0.645 56.876 56.287 -0.094 0.000 1.053 103 K CB 0.373 32.837 32.500 -0.059 0.000 0.856 103 K HN 0.130 nan 8.250 nan 0.000 0.495 104 K N 0.718 121.066 120.400 -0.086 0.000 2.211 104 K HA -0.066 4.257 4.320 0.005 0.000 0.203 104 K C -0.182 176.407 176.600 -0.018 0.000 1.050 104 K CA 0.925 57.167 56.287 -0.075 0.000 0.945 104 K CB 0.319 32.781 32.500 -0.065 0.000 0.732 104 K HN 0.441 nan 8.250 nan 0.000 0.451 105 S N -0.320 115.313 115.700 -0.111 0.000 2.536 105 S HA 0.439 4.912 4.470 0.005 0.000 0.271 105 S C -1.526 172.949 174.600 -0.208 0.000 1.134 105 S CA -0.916 57.159 58.200 -0.208 0.000 0.897 105 S CB 2.541 65.472 63.200 -0.449 0.000 1.094 105 S HN -0.047 nan 8.310 nan 0.000 0.473 106 V N 2.180 122.015 119.914 -0.132 0.000 2.638 106 V HA 0.641 4.764 4.120 0.005 0.000 0.306 106 V C -0.385 175.773 176.094 0.108 0.000 1.052 106 V CA -0.549 61.789 62.300 0.063 0.000 0.885 106 V CB 2.248 34.123 31.823 0.087 0.000 0.999 106 V HN 0.893 nan 8.190 nan 0.000 0.424 107 T N 3.460 118.144 114.554 0.217 0.000 2.856 107 T HA 0.632 4.985 4.350 0.005 0.000 0.283 107 T C -0.496 174.256 174.700 0.086 0.000 1.008 107 T CA -0.426 61.778 62.100 0.173 0.000 0.997 107 T CB 1.856 70.870 68.868 0.243 0.000 0.992 107 T HN 0.378 nan 8.240 nan 0.000 0.454 108 V N 4.131 124.054 119.914 0.015 0.000 2.398 108 V HA 0.535 4.658 4.120 0.005 0.000 0.286 108 V C -0.684 175.413 176.094 0.005 0.000 1.026 108 V CA -0.764 61.447 62.300 -0.148 0.000 0.868 108 V CB 1.297 32.990 31.823 -0.218 0.000 0.982 108 V HN 0.583 nan 8.190 nan 0.000 0.443 109 L N 3.491 124.650 121.223 -0.108 0.000 2.362 109 L HA 0.558 4.901 4.340 0.005 0.000 0.271 109 L C -0.262 176.549 176.870 -0.098 0.000 1.002 109 L CA -0.207 54.595 54.840 -0.064 0.000 0.818 109 L CB 1.870 43.877 42.059 -0.086 0.000 1.298 109 L HN 0.619 nan 8.230 nan 0.000 0.420 110 D N 1.807 122.162 120.400 -0.076 0.000 2.468 110 D HA 0.190 4.833 4.640 0.005 0.000 0.218 110 D C 0.393 176.616 176.300 -0.129 0.000 1.155 110 D CA -0.151 53.797 54.000 -0.087 0.000 0.924 110 D CB 0.836 41.597 40.800 -0.064 0.000 1.029 110 D HN 0.264 nan 8.370 nan 0.000 0.515 111 V N 2.110 121.922 119.914 -0.171 0.000 3.189 111 V HA 0.433 4.555 4.120 0.005 0.000 0.366 111 V C 1.605 177.436 176.094 -0.438 0.000 1.313 111 V CA 0.138 62.280 62.300 -0.264 0.000 1.302 111 V CB 0.239 31.909 31.823 -0.255 0.000 1.260 111 V HN 0.385 nan 8.190 nan 0.000 0.484 112 G N 0.467 109.081 108.800 -0.310 0.000 2.448 112 G HA2 -0.177 3.786 3.960 0.005 0.000 0.218 112 G HA3 -0.177 3.786 3.960 0.005 0.000 0.218 112 G C 0.968 175.556 174.900 -0.520 0.000 1.135 112 G CA 0.911 45.813 45.100 -0.329 0.000 0.784 112 G HN 0.552 nan 8.290 nan 0.000 0.543 113 D N 0.654 120.821 120.400 -0.389 0.000 2.144 113 D HA 0.023 4.666 4.640 0.005 0.000 0.199 113 D C 2.749 178.787 176.300 -0.436 0.000 0.984 113 D CA 1.081 54.893 54.000 -0.315 0.000 0.834 113 D CB -0.130 40.613 40.800 -0.094 0.000 0.955 113 D HN 0.247 nan 8.370 nan 0.000 0.465 114 A N -0.066 122.403 122.820 -0.586 0.000 1.927 114 A HA -0.274 4.049 4.320 0.005 0.000 0.220 114 A C 1.807 178.907 177.584 -0.808 0.000 1.185 114 A CA 1.577 53.206 52.037 -0.679 0.000 0.639 114 A CB -1.267 17.197 19.000 -0.894 0.000 0.820 114 A HN 0.367 nan 8.150 nan 0.000 0.451 115 Y N -1.169 118.668 120.300 -0.772 0.000 2.256 115 Y HA -0.177 4.376 4.550 0.005 0.000 0.288 115 Y C 1.989 177.731 175.900 -0.262 0.000 1.155 115 Y CA 0.887 58.608 58.100 -0.632 0.000 1.203 115 Y CB -1.061 37.061 38.460 -0.563 0.000 0.980 115 Y HN 0.325 nan 8.280 nan 0.000 0.530 116 F N 0.087 120.066 119.950 0.048 0.000 2.449 116 F HA -0.174 4.356 4.527 0.004 0.000 0.299 116 F C 2.355 178.197 175.800 0.069 0.000 1.092 116 F CA 0.925 58.975 58.000 0.083 0.000 1.446 116 F CB -1.251 37.792 39.000 0.072 0.000 1.084 116 F HN 0.108 nan 8.300 nan 0.000 0.567 117 S N -1.718 114.098 115.700 0.192 0.000 2.558 117 S HA 0.170 4.643 4.470 0.005 0.000 0.217 117 S C 0.456 175.165 174.600 0.181 0.000 0.975 117 S CA -0.156 58.146 58.200 0.170 0.000 0.912 117 S CB -0.545 62.745 63.200 0.150 0.000 0.776 117 S HN -0.065 nan 8.310 nan 0.000 0.526 118 V N 4.559 124.586 119.914 0.189 0.000 2.435 118 V HA 0.501 4.624 4.120 0.005 0.000 0.290 118 V C -2.313 173.892 176.094 0.184 0.000 1.030 118 V CA -2.216 60.204 62.300 0.201 0.000 0.881 118 V CB 1.700 33.671 31.823 0.247 0.000 0.983 118 V HN 0.233 nan 8.190 nan 0.000 0.445 119 P HA 0.366 nan 4.420 nan 0.000 0.281 119 P C -1.054 176.328 177.300 0.137 0.000 1.249 119 P CA -0.511 62.674 63.100 0.142 0.000 0.810 119 P CB 2.021 33.789 31.700 0.114 0.000 1.008 120 L N 1.938 123.242 121.223 0.134 0.000 2.325 120 L HA 0.458 4.801 4.340 0.005 0.000 0.278 120 L C -0.087 176.850 176.870 0.111 0.000 1.023 120 L CA -0.589 54.324 54.840 0.122 0.000 0.811 120 L CB 0.897 43.024 42.059 0.113 0.000 1.249 120 L HN 0.260 nan 8.230 nan 0.000 0.431 121 D N 2.171 122.636 120.400 0.108 0.000 2.586 121 D HA -0.089 4.554 4.640 0.005 0.000 0.234 121 D C 0.933 177.304 176.300 0.118 0.000 1.132 121 D CA 0.647 54.712 54.000 0.108 0.000 0.860 121 D CB 0.960 41.828 40.800 0.113 0.000 1.159 121 D HN 0.687 nan 8.370 nan 0.000 0.490 122 E N 2.247 122.498 120.200 0.085 0.000 2.049 122 E HA -0.204 4.149 4.350 0.005 0.000 0.198 122 E C 1.116 177.746 176.600 0.049 0.000 1.007 122 E CA 1.691 58.126 56.400 0.059 0.000 0.809 122 E CB -0.052 29.673 29.700 0.041 0.000 0.749 122 E HN 0.625 nan 8.360 nan 0.000 0.450 123 D N -1.351 119.090 120.400 0.069 0.000 2.309 123 D HA -0.125 4.517 4.640 0.005 0.000 0.212 123 D C 1.167 177.498 176.300 0.052 0.000 0.968 123 D CA 0.569 54.602 54.000 0.054 0.000 0.882 123 D CB -0.046 40.809 40.800 0.091 0.000 0.918 123 D HN 0.138 nan 8.370 nan 0.000 0.503 124 F N 0.596 120.522 119.950 -0.041 0.000 2.446 124 F HA 0.193 4.723 4.527 0.005 0.000 0.292 124 F C 1.886 177.595 175.800 -0.153 0.000 1.096 124 F CA 0.230 58.216 58.000 -0.023 0.000 1.438 124 F CB 0.191 39.217 39.000 0.043 0.000 1.107 124 F HN -0.283 nan 8.300 nan 0.000 0.546 125 R N 1.111 121.612 120.500 0.001 0.000 2.153 125 R HA -0.282 4.061 4.340 0.005 0.000 0.252 125 R C 2.179 178.377 176.300 -0.169 0.000 1.158 125 R CA 2.297 58.372 56.100 -0.042 0.000 0.975 125 R CB -0.726 29.585 30.300 0.018 0.000 0.871 125 R HN 0.407 nan 8.270 nan 0.000 0.450 126 K N -0.240 119.970 120.400 -0.316 0.000 2.160 126 K HA -0.200 4.122 4.320 0.005 0.000 0.206 126 K C 1.313 177.752 176.600 -0.270 0.000 1.047 126 K CA 1.795 57.909 56.287 -0.288 0.000 0.930 126 K CB -0.419 31.889 32.500 -0.319 0.000 0.720 126 K HN 0.227 nan 8.250 nan 0.000 0.450 127 Y N 2.464 122.547 120.300 -0.362 0.000 2.571 127 Y HA -0.050 4.503 4.550 0.005 0.000 0.294 127 Y C 2.244 178.007 175.900 -0.228 0.000 1.141 127 Y CA 1.133 58.911 58.100 -0.535 0.000 1.308 127 Y CB -0.624 37.250 38.460 -0.977 0.000 1.002 127 Y HN 0.331 nan 8.280 nan 0.000 0.551 128 T N -2.366 112.196 114.554 0.013 0.000 3.169 128 T HA 0.460 4.813 4.350 0.005 0.000 0.250 128 T C 0.887 175.829 174.700 0.403 0.000 1.111 128 T CA 0.044 62.312 62.100 0.280 0.000 1.010 128 T CB -0.622 68.407 68.868 0.268 0.000 0.984 128 T HN 0.206 nan 8.240 nan 0.000 0.537 129 A N 1.796 124.743 122.820 0.212 0.000 2.531 129 A HA 0.538 4.861 4.320 0.005 0.000 0.236 129 A C -0.024 177.674 177.584 0.190 0.000 1.062 129 A CA -0.399 51.697 52.037 0.100 0.000 0.760 129 A CB -0.469 18.563 19.000 0.054 0.000 0.995 129 A HN 0.779 nan 8.150 nan 0.000 0.501 130 F N -0.990 119.008 119.950 0.080 0.000 2.685 130 F HA 0.824 5.354 4.527 0.005 0.000 0.315 130 F C -0.474 175.325 175.800 -0.001 0.000 1.126 130 F CA -0.901 57.111 58.000 0.019 0.000 0.950 130 F CB 1.289 40.293 39.000 0.007 0.000 1.360 130 F HN 0.337 nan 8.300 nan 0.000 0.469 131 T N 2.302 117.016 114.554 0.267 0.000 2.879 131 T HA 0.576 4.929 4.350 0.005 0.000 0.290 131 T C -0.934 173.844 174.700 0.131 0.000 0.993 131 T CA -0.262 61.901 62.100 0.104 0.000 0.975 131 T CB 1.393 70.258 68.868 -0.006 0.000 0.981 131 T HN 0.514 nan 8.240 nan 0.000 0.439 132 I N 6.637 127.279 120.570 0.121 0.000 2.337 132 I HA 0.287 4.460 4.170 0.005 0.000 0.291 132 I C -1.647 174.470 176.117 -0.000 0.000 1.046 132 I CA -2.010 59.335 61.300 0.075 0.000 1.324 132 I CB 0.439 38.500 38.000 0.101 0.000 1.409 132 I HN 0.368 nan 8.210 nan 0.000 0.494 133 P HA 0.235 nan 4.420 nan 0.000 0.277 133 P C -0.810 176.470 177.300 -0.033 0.000 1.276 133 P CA -0.471 62.611 63.100 -0.031 0.000 0.788 133 P CB 0.868 32.549 31.700 -0.032 0.000 1.114 134 S N -1.346 114.334 115.700 -0.033 0.000 2.536 134 S HA 0.510 4.983 4.470 0.005 0.000 0.287 134 S C 0.027 174.610 174.600 -0.029 0.000 1.101 134 S CA -0.973 57.207 58.200 -0.034 0.000 0.950 134 S CB 0.482 63.661 63.200 -0.036 0.000 1.056 134 S HN 0.272 nan 8.310 nan 0.000 0.481 135 I N 2.915 123.468 120.570 -0.029 0.000 2.752 135 I HA 0.022 4.194 4.170 0.005 0.000 0.289 135 I C 1.317 177.421 176.117 -0.020 0.000 1.197 135 I CA 0.512 61.797 61.300 -0.024 0.000 1.432 135 I CB -0.244 37.742 38.000 -0.024 0.000 1.359 135 I HN 1.047 nan 8.210 nan 0.000 0.571 136 N N 5.344 124.034 118.700 -0.016 0.000 2.678 136 N HA -0.308 4.435 4.740 0.005 0.000 0.250 136 N C 0.165 175.665 175.510 -0.016 0.000 1.136 136 N CA 1.387 54.429 53.050 -0.014 0.000 0.757 136 N CB -0.843 37.637 38.487 -0.012 0.000 1.135 136 N HN 0.834 nan 8.380 nan 0.000 0.565 137 N N -1.338 117.351 118.700 -0.019 0.000 2.714 137 N HA -0.214 4.528 4.740 0.005 0.000 0.250 137 N C -0.244 175.252 175.510 -0.023 0.000 1.117 137 N CA 1.265 54.302 53.050 -0.022 0.000 0.719 137 N CB -1.313 37.162 38.487 -0.019 0.000 1.081 137 N HN 0.741 nan 8.380 nan 0.000 0.557 138 E N -0.251 119.935 120.200 -0.023 0.000 2.516 138 E HA -0.039 4.313 4.350 0.005 0.000 0.199 138 E C 0.732 177.316 176.600 -0.028 0.000 1.069 138 E CA 0.982 57.368 56.400 -0.023 0.000 0.876 138 E CB 0.147 29.834 29.700 -0.021 0.000 0.843 138 E HN 0.643 nan 8.360 nan 0.000 0.530 139 T N -2.001 112.534 114.554 -0.032 0.000 2.853 139 T HA 0.413 4.766 4.350 0.005 0.000 0.311 139 T C -2.980 171.693 174.700 -0.045 0.000 1.307 139 T CA -2.075 60.002 62.100 -0.038 0.000 1.019 139 T CB 1.779 70.623 68.868 -0.040 0.000 1.264 139 T HN -0.308 nan 8.240 nan 0.000 0.497 140 P HA 0.425 nan 4.420 nan 0.000 0.272 140 P C 0.606 177.863 177.300 -0.072 0.000 1.230 140 P CA -0.100 62.963 63.100 -0.062 0.000 0.788 140 P CB 0.156 31.814 31.700 -0.070 0.000 0.949 141 G N 0.793 109.548 108.800 -0.076 0.000 2.667 141 G HA2 0.371 4.334 3.960 0.005 0.000 0.250 141 G HA3 0.371 4.334 3.960 0.005 0.000 0.250 141 G C -0.573 174.251 174.900 -0.127 0.000 1.212 141 G CA -0.537 44.514 45.100 -0.082 0.000 0.874 141 G HN 0.412 nan 8.290 nan 0.000 0.561 142 I N 0.963 121.445 120.570 -0.147 0.000 2.328 142 I HA 0.298 4.471 4.170 0.005 0.000 0.287 142 I C 0.185 176.067 176.117 -0.391 0.000 1.012 142 I CA -0.534 60.599 61.300 -0.279 0.000 1.195 142 I CB 1.355 39.209 38.000 -0.244 0.000 1.350 142 I HN 0.178 nan 8.210 nan 0.000 0.464 143 R N 5.902 126.119 120.500 -0.472 0.000 2.254 143 R HA 0.507 4.850 4.340 0.005 0.000 0.318 143 R C -1.211 174.655 176.300 -0.723 0.000 1.031 143 R CA -0.571 55.242 56.100 -0.480 0.000 0.905 143 R CB 1.343 31.459 30.300 -0.307 0.000 1.050 143 R HN 0.413 nan 8.270 nan 0.000 0.456 144 Y N 0.300 120.182 120.300 -0.697 0.000 2.686 144 Y HA 0.402 4.955 4.550 0.004 0.000 0.330 144 Y C 0.238 175.678 175.900 -0.767 0.000 1.082 144 Y CA -0.765 56.864 58.100 -0.785 0.000 1.158 144 Y CB 1.768 39.629 38.460 -0.998 0.000 1.333 144 Y HN 0.390 nan 8.280 nan 0.000 0.519 145 Q N 0.399 120.047 119.800 -0.254 0.000 2.352 145 Q HA 0.312 4.655 4.340 0.005 0.000 0.270 145 Q C -2.128 173.889 176.000 0.029 0.000 1.006 145 Q CA -0.658 55.102 55.803 -0.071 0.000 0.880 145 Q CB 1.590 30.295 28.738 -0.055 0.000 1.392 145 Q HN 0.727 nan 8.270 nan 0.000 0.401 146 Y N 2.152 122.531 120.300 0.131 0.000 2.336 146 Y HA 0.137 4.690 4.550 0.004 0.000 0.331 146 Y C 0.933 176.879 175.900 0.077 0.000 1.211 146 Y CA 0.977 59.161 58.100 0.140 0.000 1.346 146 Y CB 0.933 39.510 38.460 0.196 0.000 1.271 146 Y HN 0.728 nan 8.280 nan 0.000 0.538 147 N N 0.006 118.847 118.700 0.235 0.000 2.332 147 N HA 0.121 4.864 4.740 0.005 0.000 0.190 147 N C -0.864 174.762 175.510 0.193 0.000 1.117 147 N CA 0.053 53.196 53.050 0.156 0.000 0.883 147 N CB 0.877 39.416 38.487 0.088 0.000 1.089 147 N HN 0.334 nan 8.380 nan 0.000 0.480 148 V N -1.227 118.859 119.914 0.287 0.000 3.019 148 V HA 0.482 4.605 4.120 0.005 0.000 0.317 148 V C 0.036 176.312 176.094 0.302 0.000 1.094 148 V CA -1.293 61.182 62.300 0.291 0.000 1.000 148 V CB 1.395 33.422 31.823 0.339 0.000 1.060 148 V HN -0.044 nan 8.190 nan 0.000 0.443 149 L N 3.886 125.243 121.223 0.223 0.000 2.628 149 L HA 0.209 4.552 4.340 0.005 0.000 0.274 149 L C -1.913 175.004 176.870 0.078 0.000 1.209 149 L CA -0.633 54.280 54.840 0.122 0.000 0.930 149 L CB 0.276 42.376 42.059 0.069 0.000 1.183 149 L HN 0.601 nan 8.230 nan 0.000 0.492 150 P HA 0.187 nan 4.420 nan 0.000 0.282 150 P C -1.271 175.942 177.300 -0.146 0.000 1.259 150 P CA -0.791 62.135 63.100 -0.289 0.000 0.826 150 P CB 1.071 32.247 31.700 -0.873 0.000 1.064 151 Q N -0.085 119.717 119.800 0.004 0.000 2.340 151 Q HA 0.431 4.773 4.340 0.005 0.000 0.249 151 Q C 1.141 177.243 176.000 0.169 0.000 0.957 151 Q CA 0.394 56.218 55.803 0.034 0.000 0.882 151 Q CB 0.275 29.064 28.738 0.085 0.000 1.235 151 Q HN 0.862 nan 8.270 nan 0.000 0.439 152 G N 1.022 109.902 108.800 0.133 0.000 2.225 152 G HA2 -0.268 3.695 3.960 0.005 0.000 0.254 152 G HA3 -0.268 3.695 3.960 0.005 0.000 0.254 152 G C -0.593 174.466 174.900 0.265 0.000 0.988 152 G CA 0.068 45.323 45.100 0.258 0.000 0.625 152 G HN 0.655 nan 8.290 nan 0.000 0.527 153 W N 2.736 123.929 121.300 -0.178 0.000 2.315 153 W HA 0.606 5.269 4.660 0.004 0.000 0.316 153 W C 1.483 177.807 176.519 -0.325 0.000 1.211 153 W CA -0.723 56.389 57.345 -0.389 0.000 1.201 153 W CB 0.879 29.913 29.460 -0.710 0.000 1.184 153 W HN 0.199 nan 8.180 nan 0.000 0.544 154 K N 3.150 123.110 120.400 -0.733 0.000 2.365 154 K HA 0.044 4.367 4.320 0.005 0.000 0.199 154 K C 1.589 177.430 176.600 -1.264 0.000 1.045 154 K CA 1.412 57.236 56.287 -0.771 0.000 0.962 154 K CB -0.303 31.935 32.500 -0.437 0.000 0.759 154 K HN 0.623 nan 8.250 nan 0.000 0.469 155 G N 0.908 108.249 108.800 -2.431 0.000 2.403 155 G HA2 -0.196 3.767 3.960 0.005 0.000 0.216 155 G HA3 -0.196 3.767 3.960 0.005 0.000 0.216 155 G C 1.294 175.275 174.900 -1.532 0.000 1.154 155 G CA 0.603 44.201 45.100 -2.503 0.000 0.784 155 G HN 0.324 nan 8.290 nan 0.000 0.538 156 S N 1.809 116.816 115.700 -1.155 0.000 2.414 156 S HA -0.137 4.336 4.470 0.005 0.000 0.225 156 S C 0.400 174.592 174.600 -0.681 0.000 1.041 156 S CA 1.873 59.591 58.200 -0.804 0.000 1.114 156 S CB -1.082 61.429 63.200 -1.148 0.000 1.064 156 S HN 0.406 nan 8.310 nan 0.000 0.420 157 P HA -0.090 nan 4.420 nan 0.000 0.219 157 P C 1.154 178.300 177.300 -0.256 0.000 1.146 157 P CA 1.653 64.637 63.100 -0.194 0.000 0.808 157 P CB -0.150 31.440 31.700 -0.182 0.000 0.779 158 A N -0.048 122.439 122.820 -0.553 0.000 1.933 158 A HA -0.116 4.207 4.320 0.005 0.000 0.218 158 A C 2.341 179.666 177.584 -0.430 0.000 1.175 158 A CA 1.263 52.915 52.037 -0.642 0.000 0.628 158 A CB -1.369 16.795 19.000 -1.392 0.000 0.814 158 A HN 0.161 nan 8.150 nan 0.000 0.444 159 I N -2.634 117.716 120.570 -0.367 0.000 2.584 159 I HA -0.041 4.132 4.170 0.005 0.000 0.255 159 I C 1.653 177.781 176.117 0.018 0.000 1.145 159 I CA 0.760 61.977 61.300 -0.138 0.000 1.462 159 I CB 0.016 37.967 38.000 -0.081 0.000 1.102 159 I HN 0.380 nan 8.210 nan 0.000 0.433 160 F N 1.227 121.120 119.950 -0.095 0.000 2.663 160 F HA 0.107 4.637 4.527 0.005 0.000 0.299 160 F C 2.065 177.832 175.800 -0.054 0.000 1.143 160 F CA -0.005 57.988 58.000 -0.012 0.000 1.387 160 F CB -0.126 38.957 39.000 0.138 0.000 1.019 160 F HN -0.003 nan 8.300 nan 0.000 0.523 161 Q N 0.340 120.093 119.800 -0.078 0.000 1.965 161 Q HA -0.169 4.174 4.340 0.005 0.000 0.200 161 Q C 2.621 178.506 176.000 -0.192 0.000 0.981 161 Q CA 2.133 57.864 55.803 -0.121 0.000 0.834 161 Q CB -0.590 28.084 28.738 -0.107 0.000 0.900 161 Q HN 0.522 nan 8.270 nan 0.000 0.426 162 S N 0.137 115.732 115.700 -0.174 0.000 2.380 162 S HA -0.163 4.310 4.470 0.005 0.000 0.229 162 S C 2.186 176.624 174.600 -0.269 0.000 1.043 162 S CA 1.841 59.939 58.200 -0.171 0.000 1.038 162 S CB -0.487 62.641 63.200 -0.119 0.000 0.872 162 S HN 0.205 nan 8.310 nan 0.000 0.456 163 S N 1.297 116.725 115.700 -0.452 0.000 2.406 163 S HA 0.119 4.592 4.470 0.005 0.000 0.228 163 S C 1.778 175.951 174.600 -0.712 0.000 1.020 163 S CA 1.232 59.043 58.200 -0.649 0.000 0.965 163 S CB -0.389 62.182 63.200 -1.047 0.000 0.798 163 S HN 0.506 nan 8.310 nan 0.000 0.488 164 M N 2.629 121.821 119.600 -0.680 0.000 2.156 164 M HA -0.069 4.414 4.480 0.005 0.000 0.264 164 M C 2.229 178.356 176.300 -0.288 0.000 1.067 164 M CA 1.858 56.909 55.300 -0.415 0.000 1.131 164 M CB -1.401 31.089 32.600 -0.184 0.000 1.368 164 M HN 0.406 nan 8.290 nan 0.000 0.416 165 T N -1.201 113.220 114.554 -0.222 0.000 2.684 165 T HA -0.238 4.114 4.350 0.005 0.000 0.267 165 T C 1.939 176.549 174.700 -0.150 0.000 1.036 165 T CA 1.904 63.919 62.100 -0.141 0.000 1.148 165 T CB -0.767 68.041 68.868 -0.099 0.000 0.863 165 T HN 0.554 nan 8.240 nan 0.000 0.436 166 K N 1.393 121.677 120.400 -0.193 0.000 1.977 166 K HA -0.154 4.169 4.320 0.005 0.000 0.218 166 K C 2.400 178.854 176.600 -0.244 0.000 1.051 166 K CA 2.158 58.339 56.287 -0.177 0.000 0.953 166 K CB -0.653 31.730 32.500 -0.195 0.000 0.727 166 K HN 0.485 nan 8.250 nan 0.000 0.445 167 I N 1.363 121.646 120.570 -0.479 0.000 2.229 167 I HA -0.343 3.829 4.170 0.005 0.000 0.250 167 I C 2.389 178.294 176.117 -0.354 0.000 1.096 167 I CA 1.406 62.267 61.300 -0.732 0.000 1.358 167 I CB -0.285 37.164 38.000 -0.919 0.000 1.047 167 I HN 0.295 nan 8.210 nan 0.000 0.422 168 L N -0.082 121.011 121.223 -0.218 0.000 2.209 168 L HA -0.129 4.214 4.340 0.005 0.000 0.207 168 L C 2.517 179.441 176.870 0.090 0.000 1.094 168 L CA 0.797 55.608 54.840 -0.048 0.000 0.790 168 L CB -0.529 41.482 42.059 -0.079 0.000 0.932 168 L HN 0.274 nan 8.230 nan 0.000 0.447 169 E N 0.889 121.110 120.200 0.034 0.000 2.149 169 E HA -0.291 4.062 4.350 0.005 0.000 0.215 169 E C -0.626 176.033 176.600 0.098 0.000 1.055 169 E CA 2.400 58.834 56.400 0.056 0.000 0.870 169 E CB -0.773 28.942 29.700 0.025 0.000 0.764 169 E HN 0.261 nan 8.360 nan 0.000 0.463 170 P HA -0.180 nan 4.420 nan 0.000 0.213 170 P C 1.168 178.522 177.300 0.090 0.000 1.170 170 P CA 1.559 64.708 63.100 0.083 0.000 0.902 170 P CB -0.277 31.454 31.700 0.052 0.000 0.789 171 F N 0.377 120.349 119.950 0.036 0.000 2.171 171 F HA -0.196 4.334 4.527 0.005 0.000 0.300 171 F C 2.054 177.872 175.800 0.030 0.000 1.090 171 F CA 1.601 59.626 58.000 0.041 0.000 1.293 171 F CB -0.202 38.880 39.000 0.137 0.000 1.013 171 F HN -0.230 nan 8.300 nan 0.000 0.486 172 K N 0.197 120.788 120.400 0.318 0.000 1.985 172 K HA -0.178 4.145 4.320 0.005 0.000 0.210 172 K C 2.002 178.646 176.600 0.074 0.000 1.047 172 K CA 1.575 57.984 56.287 0.203 0.000 0.932 172 K CB -0.184 32.399 32.500 0.139 0.000 0.716 172 K HN 0.063 nan 8.250 nan 0.000 0.439 173 K N 1.086 121.513 120.400 0.045 0.000 2.281 173 K HA -0.193 4.130 4.320 0.005 0.000 0.203 173 K C 1.970 178.548 176.600 -0.035 0.000 1.046 173 K CA 1.434 57.725 56.287 0.007 0.000 0.938 173 K CB -0.102 32.404 32.500 0.010 0.000 0.737 173 K HN 0.390 nan 8.250 nan 0.000 0.458 174 Q N 0.072 119.821 119.800 -0.085 0.000 2.302 174 Q HA -0.001 4.341 4.340 0.005 0.000 0.202 174 Q C -0.108 175.782 176.000 -0.183 0.000 0.936 174 Q CA 0.560 56.273 55.803 -0.151 0.000 0.886 174 Q CB 0.222 28.821 28.738 -0.233 0.000 0.986 174 Q HN 0.265 nan 8.270 nan 0.000 0.487 175 N N 0.286 118.874 118.700 -0.185 0.000 2.790 175 N HA 0.154 4.897 4.740 0.005 0.000 0.256 175 N C -2.464 173.042 175.510 -0.007 0.000 1.409 175 N CA -1.037 51.934 53.050 -0.131 0.000 0.799 175 N CB 1.497 39.846 38.487 -0.230 0.000 1.170 175 N HN -0.069 nan 8.380 nan 0.000 0.507 176 P HA -0.057 nan 4.420 nan 0.000 0.242 176 P C 0.448 177.767 177.300 0.032 0.000 1.197 176 P CA 0.729 63.843 63.100 0.023 0.000 0.765 176 P CB 0.248 31.954 31.700 0.009 0.000 0.936 177 D N -0.962 119.456 120.400 0.031 0.000 2.305 177 D HA -0.027 4.616 4.640 0.005 0.000 0.206 177 D C 0.667 177.007 176.300 0.066 0.000 0.974 177 D CA 0.331 54.353 54.000 0.037 0.000 0.871 177 D CB -0.009 40.808 40.800 0.027 0.000 0.947 177 D HN 0.195 nan 8.370 nan 0.000 0.516 178 I N 1.731 122.363 120.570 0.103 0.000 2.385 178 I HA 0.139 4.311 4.170 0.005 0.000 0.294 178 I C -0.126 176.075 176.117 0.141 0.000 0.988 178 I CA -0.949 60.442 61.300 0.152 0.000 1.265 178 I CB 2.191 40.340 38.000 0.248 0.000 1.388 178 I HN -0.262 nan 8.210 nan 0.000 0.480 179 V N 7.113 127.099 119.914 0.121 0.000 2.539 179 V HA 0.458 4.581 4.120 0.005 0.000 0.292 179 V C -0.022 176.151 176.094 0.131 0.000 1.045 179 V CA -0.515 61.846 62.300 0.102 0.000 0.945 179 V CB 1.547 33.405 31.823 0.057 0.000 0.993 179 V HN 0.454 nan 8.190 nan 0.000 0.464 180 I N 4.548 125.199 120.570 0.134 0.000 2.439 180 I HA 0.444 4.617 4.170 0.005 0.000 0.285 180 I C -1.308 174.943 176.117 0.223 0.000 1.021 180 I CA -0.503 60.882 61.300 0.142 0.000 1.091 180 I CB 1.646 39.687 38.000 0.068 0.000 1.242 180 I HN 0.688 nan 8.210 nan 0.000 0.439 181 Y N 6.047 126.432 120.300 0.142 0.000 2.391 181 Y HA 0.449 5.002 4.550 0.004 0.000 0.341 181 Y C -0.665 175.406 175.900 0.285 0.000 0.965 181 Y CA -0.612 57.601 58.100 0.188 0.000 1.067 181 Y CB 1.768 40.338 38.460 0.184 0.000 1.199 181 Y HN 0.546 nan 8.280 nan 0.000 0.450 182 Q N 5.820 125.363 119.800 -0.428 0.000 2.325 182 Q HA 0.312 4.655 4.340 0.005 0.000 0.262 182 Q C -2.266 173.487 176.000 -0.413 0.000 0.968 182 Q CA -0.814 54.820 55.803 -0.281 0.000 0.877 182 Q CB 1.216 29.869 28.738 -0.141 0.000 1.253 182 Q HN 0.802 nan 8.270 nan 0.000 0.448 183 Y N 7.160 127.376 120.300 -0.141 0.000 2.322 183 Y HA 0.292 4.844 4.550 0.005 0.000 0.324 183 Y C -0.113 175.887 175.900 0.166 0.000 1.027 183 Y CA -0.502 57.600 58.100 0.004 0.000 1.179 183 Y CB 0.718 39.289 38.460 0.185 0.000 1.136 183 Y HN 0.902 nan 8.280 nan 0.000 0.449 184 M N 1.486 120.836 119.600 -0.415 0.000 7.319 184 M HA -0.368 4.115 4.480 0.005 0.000 0.302 184 M C 0.210 176.537 176.300 0.045 0.000 0.480 184 M CA 1.983 57.169 55.300 -0.191 0.000 1.311 184 M CB -1.421 31.180 32.600 0.002 0.000 0.421 184 M HN 0.681 nan 8.290 nan 0.000 0.618 185 D N 0.892 121.376 120.400 0.140 0.000 2.354 185 D HA 0.145 4.787 4.640 0.005 0.000 0.209 185 D C -0.060 176.267 176.300 0.046 0.000 1.015 185 D CA 0.537 54.615 54.000 0.130 0.000 0.867 185 D CB 0.037 40.901 40.800 0.106 0.000 0.933 185 D HN 0.350 nan 8.370 nan 0.000 0.520 186 D N 0.643 121.108 120.400 0.107 0.000 2.264 186 D HA 0.265 4.908 4.640 0.005 0.000 0.249 186 D C -0.212 176.038 176.300 -0.083 0.000 1.070 186 D CA -0.403 53.587 54.000 -0.016 0.000 0.912 186 D CB 2.179 42.998 40.800 0.032 0.000 1.193 186 D HN -0.088 nan 8.370 nan 0.000 0.427 187 L N 2.388 123.474 121.223 -0.229 0.000 2.372 187 L HA 0.282 4.625 4.340 0.005 0.000 0.274 187 L C -1.662 175.073 176.870 -0.224 0.000 0.988 187 L CA -0.691 54.067 54.840 -0.135 0.000 0.833 187 L CB 1.009 42.999 42.059 -0.114 0.000 1.236 187 L HN 0.217 nan 8.230 nan 0.000 0.410 188 Y N 4.513 124.891 120.300 0.130 0.000 2.353 188 Y HA 0.549 5.102 4.550 0.004 0.000 0.340 188 Y C -0.046 175.933 175.900 0.131 0.000 0.972 188 Y CA -0.767 57.432 58.100 0.165 0.000 1.157 188 Y CB 1.411 40.030 38.460 0.265 0.000 1.157 188 Y HN 0.256 nan 8.280 nan 0.000 0.495 189 V N 3.260 123.290 119.914 0.193 0.000 2.347 189 V HA 0.762 4.885 4.120 0.005 0.000 0.280 189 V C 0.367 176.598 176.094 0.229 0.000 1.021 189 V CA -0.762 61.628 62.300 0.150 0.000 0.847 189 V CB 1.168 33.012 31.823 0.035 0.000 0.990 189 V HN 0.911 nan 8.190 nan 0.000 0.444 190 G N 2.923 111.846 108.800 0.205 0.000 2.513 190 G HA2 0.748 4.710 3.960 0.005 0.000 0.317 190 G HA3 0.748 4.710 3.960 0.005 0.000 0.317 190 G C -0.583 174.429 174.900 0.186 0.000 1.277 190 G CA -0.299 44.914 45.100 0.187 0.000 0.955 190 G HN 0.982 nan 8.290 nan 0.000 0.484 191 S N 0.101 115.915 115.700 0.189 0.000 2.570 191 S HA 0.444 4.917 4.470 0.005 0.000 0.270 191 S C -0.537 174.101 174.600 0.064 0.000 1.149 191 S CA -0.728 57.574 58.200 0.169 0.000 0.837 191 S CB 2.131 65.525 63.200 0.324 0.000 1.124 191 S HN 0.333 nan 8.310 nan 0.000 0.465 192 D N 0.719 121.148 120.400 0.048 0.000 2.350 192 D HA 0.251 4.893 4.640 0.005 0.000 0.213 192 D C 0.516 176.830 176.300 0.023 0.000 1.031 192 D CA -0.050 53.955 54.000 0.008 0.000 0.861 192 D CB -0.216 40.584 40.800 0.000 0.000 0.926 192 D HN 0.279 nan 8.370 nan 0.000 0.520 193 L N 0.953 122.218 121.223 0.071 0.000 2.347 193 L HA -0.010 4.332 4.340 0.005 0.000 0.249 193 L C 0.849 177.760 176.870 0.068 0.000 1.260 193 L CA 0.415 55.306 54.840 0.084 0.000 0.815 193 L CB -0.084 42.060 42.059 0.142 0.000 1.096 193 L HN -0.005 nan 8.230 nan 0.000 0.604 194 E N -0.351 119.894 120.200 0.076 0.000 2.331 194 E HA 0.108 4.461 4.350 0.005 0.000 0.272 194 E C 0.870 177.532 176.600 0.105 0.000 1.036 194 E CA -0.188 56.250 56.400 0.063 0.000 0.864 194 E CB 0.532 30.262 29.700 0.050 0.000 1.035 194 E HN 0.383 nan 8.360 nan 0.000 0.408 195 I N 4.198 124.819 120.570 0.085 0.000 2.143 195 I HA -0.217 3.955 4.170 0.005 0.000 0.245 195 I C 1.606 177.810 176.117 0.144 0.000 1.068 195 I CA 2.730 64.103 61.300 0.121 0.000 1.326 195 I CB -0.708 37.344 38.000 0.087 0.000 1.028 195 I HN 0.739 nan 8.210 nan 0.000 0.412 196 G N -1.166 107.694 108.800 0.100 0.000 2.414 196 G HA2 -0.267 3.696 3.960 0.005 0.000 0.215 196 G HA3 -0.267 3.696 3.960 0.005 0.000 0.215 196 G C 1.506 176.463 174.900 0.094 0.000 1.188 196 G CA 0.813 45.965 45.100 0.086 0.000 0.783 196 G HN 0.454 nan 8.290 nan 0.000 0.537 197 Q N -0.581 119.277 119.800 0.096 0.000 2.124 197 Q HA -0.047 4.296 4.340 0.005 0.000 0.202 197 Q C 2.139 178.212 176.000 0.121 0.000 0.977 197 Q CA 1.678 57.535 55.803 0.091 0.000 0.850 197 Q CB -0.454 28.332 28.738 0.080 0.000 0.901 197 Q HN 0.785 nan 8.270 nan 0.000 0.429 198 H N 0.291 119.403 119.070 0.071 0.000 2.256 198 H HA -0.001 4.558 4.556 0.005 0.000 0.299 198 H C 1.857 177.241 175.328 0.093 0.000 1.071 198 H CA 1.867 57.967 56.048 0.087 0.000 1.280 198 H CB 0.175 29.990 29.762 0.088 0.000 1.370 198 H HN 0.051 nan 8.280 nan 0.000 0.490 199 R N -0.536 120.044 120.500 0.134 0.000 2.094 199 R HA -0.154 4.189 4.340 0.005 0.000 0.239 199 R C 2.544 178.851 176.300 0.012 0.000 1.137 199 R CA 2.233 58.372 56.100 0.065 0.000 0.943 199 R CB -0.891 29.481 30.300 0.121 0.000 0.850 199 R HN 0.625 nan 8.270 nan 0.000 0.433 200 T N -0.253 114.325 114.554 0.040 0.000 2.759 200 T HA -0.169 4.184 4.350 0.005 0.000 0.269 200 T C 1.837 176.563 174.700 0.044 0.000 1.042 200 T CA 1.479 63.602 62.100 0.038 0.000 1.140 200 T CB -0.130 68.764 68.868 0.044 0.000 0.864 200 T HN 0.056 nan 8.240 nan 0.000 0.455 201 K N 0.823 121.247 120.400 0.041 0.000 2.283 201 K HA 0.084 4.407 4.320 0.005 0.000 0.202 201 K C 1.983 178.661 176.600 0.130 0.000 1.048 201 K CA 0.606 56.954 56.287 0.102 0.000 0.948 201 K CB -0.621 31.938 32.500 0.097 0.000 0.742 201 K HN 0.334 nan 8.250 nan 0.000 0.458 202 I N 1.321 121.876 120.570 -0.025 0.000 2.113 202 I HA -0.216 3.956 4.170 0.005 0.000 0.238 202 I C 1.986 178.093 176.117 -0.016 0.000 1.070 202 I CA 1.353 62.606 61.300 -0.078 0.000 1.332 202 I CB -1.010 36.925 38.000 -0.108 0.000 1.044 202 I HN 0.304 nan 8.210 nan 0.000 0.402 203 E N 0.510 120.717 120.200 0.012 0.000 2.136 203 E HA -0.308 4.044 4.350 0.005 0.000 0.202 203 E C 1.991 178.640 176.600 0.081 0.000 1.019 203 E CA 1.632 58.051 56.400 0.032 0.000 0.819 203 E CB -0.313 29.407 29.700 0.033 0.000 0.739 203 E HN 0.574 nan 8.360 nan 0.000 0.458 204 E N 0.590 120.876 120.200 0.143 0.000 2.085 204 E HA -0.185 4.168 4.350 0.005 0.000 0.194 204 E C 2.310 179.100 176.600 0.316 0.000 0.994 204 E CA 0.839 57.382 56.400 0.238 0.000 0.801 204 E CB -0.134 29.747 29.700 0.301 0.000 0.743 204 E HN 0.221 nan 8.360 nan 0.000 0.453 205 L N 0.301 121.636 121.223 0.187 0.000 2.023 205 L HA -0.123 4.220 4.340 0.005 0.000 0.205 205 L C 2.894 179.737 176.870 -0.044 0.000 1.073 205 L CA 1.184 55.938 54.840 -0.143 0.000 0.745 205 L CB -0.285 41.334 42.059 -0.733 0.000 0.900 205 L HN 0.151 nan 8.230 nan 0.000 0.435 206 R N -0.361 120.108 120.500 -0.051 0.000 2.115 206 R HA -0.272 4.071 4.340 0.005 0.000 0.239 206 R C 2.311 178.625 176.300 0.022 0.000 1.133 206 R CA 2.484 58.562 56.100 -0.037 0.000 0.935 206 R CB -0.264 30.018 30.300 -0.029 0.000 0.853 206 R HN 0.486 nan 8.270 nan 0.000 0.433 207 Q N -1.349 118.495 119.800 0.074 0.000 2.084 207 Q HA -0.246 4.096 4.340 0.005 0.000 0.202 207 Q C 2.133 178.246 176.000 0.188 0.000 0.978 207 Q CA 1.712 57.579 55.803 0.107 0.000 0.844 207 Q CB -0.375 28.426 28.738 0.105 0.000 0.898 207 Q HN 0.511 nan 8.270 nan 0.000 0.426 208 H N 1.180 120.315 119.070 0.108 0.000 2.321 208 H HA -0.154 4.405 4.556 0.005 0.000 0.295 208 H C 1.775 177.218 175.328 0.192 0.000 1.102 208 H CA 1.833 57.980 56.048 0.165 0.000 1.266 208 H CB -0.430 29.432 29.762 0.166 0.000 1.363 208 H HN 0.153 nan 8.280 nan 0.000 0.492 209 L N -0.740 120.450 121.223 -0.055 0.000 2.027 209 L HA -0.133 4.210 4.340 0.005 0.000 0.206 209 L C 2.676 179.591 176.870 0.074 0.000 1.074 209 L CA 1.059 55.812 54.840 -0.146 0.000 0.745 209 L CB -0.539 41.411 42.059 -0.183 0.000 0.898 209 L HN 0.262 nan 8.230 nan 0.000 0.433 210 L N 0.142 121.410 121.223 0.074 0.000 2.137 210 L HA -0.237 4.106 4.340 0.005 0.000 0.213 210 L C 2.594 179.548 176.870 0.140 0.000 1.085 210 L CA 1.654 56.544 54.840 0.085 0.000 0.760 210 L CB -0.669 41.425 42.059 0.060 0.000 0.893 210 L HN 0.151 nan 8.230 nan 0.000 0.434 211 R N -1.547 119.084 120.500 0.218 0.000 2.357 211 R HA -0.187 4.156 4.340 0.005 0.000 0.202 211 R C 0.852 177.229 176.300 0.127 0.000 1.047 211 R CA 0.982 57.197 56.100 0.191 0.000 1.034 211 R CB -0.305 30.154 30.300 0.266 0.000 0.875 211 R HN 0.538 nan 8.270 nan 0.000 0.473 212 W N -1.779 119.528 121.300 0.011 0.000 2.868 212 W HA 0.318 4.981 4.660 0.005 0.000 0.320 212 W C 1.286 177.815 176.519 0.016 0.000 1.076 212 W CA 0.591 57.944 57.345 0.014 0.000 1.576 212 W CB 0.746 30.205 29.460 -0.002 0.000 1.030 212 W HN 0.254 nan 8.180 nan 0.000 0.558 213 G N 0.294 109.210 108.800 0.193 0.000 2.296 213 G HA2 -0.199 3.764 3.960 0.005 0.000 0.188 213 G HA3 -0.199 3.764 3.960 0.005 0.000 0.188 213 G C 0.055 175.001 174.900 0.076 0.000 1.000 213 G CA -0.201 44.968 45.100 0.115 0.000 0.672 213 G HN 0.163 nan 8.290 nan 0.000 0.483 214 L N 1.301 122.563 121.223 0.064 0.000 2.358 214 L HA 0.671 5.013 4.340 0.005 0.000 0.274 214 L C 0.138 176.993 176.870 -0.026 0.000 1.136 214 L CA -0.725 54.106 54.840 -0.015 0.000 0.970 214 L CB 0.252 42.263 42.059 -0.080 0.000 1.314 214 L HN -0.073 nan 8.230 nan 0.000 0.427 215 T N 1.796 116.342 114.554 -0.013 0.000 2.822 215 T HA 0.017 4.369 4.350 0.005 0.000 0.288 215 T C 0.712 175.384 174.700 -0.048 0.000 0.991 215 T CA 0.568 62.657 62.100 -0.018 0.000 1.176 215 T CB 0.018 68.881 68.868 -0.008 0.000 0.951 215 T HN 0.638 nan 8.240 nan 0.000 0.526 216 T N 7.321 121.842 114.554 -0.054 0.000 3.145 216 T HA 0.321 4.673 4.350 0.005 0.000 0.362 216 T C -1.952 172.705 174.700 -0.072 0.000 1.340 216 T CA -1.185 60.870 62.100 -0.076 0.000 1.069 216 T CB 0.602 69.416 68.868 -0.090 0.000 1.129 216 T HN 0.350 nan 8.240 nan 0.000 0.585 232 Y N -0.203 120.126 120.300 0.047 0.000 3.116 232 Y HA 0.240 4.793 4.550 0.004 0.000 0.333 232 Y C -0.375 175.534 175.900 0.014 0.000 0.935 232 Y CA 0.129 58.248 58.100 0.031 0.000 1.105 232 Y CB 0.398 38.874 38.460 0.026 0.000 1.406 232 Y HN 0.386 nan 8.280 nan 0.000 0.544 233 E N 2.461 122.660 120.200 -0.002 0.000 2.283 233 E HA 0.355 4.708 4.350 0.005 0.000 0.278 233 E C -0.607 175.734 176.600 -0.431 0.000 1.027 233 E CA -0.363 55.928 56.400 -0.182 0.000 0.843 233 E CB 2.114 31.711 29.700 -0.172 0.000 1.062 233 E HN 0.348 nan 8.360 nan 0.000 0.401 234 L N 2.999 124.012 121.223 -0.351 0.000 2.334 234 L HA 0.201 4.544 4.340 0.005 0.000 0.277 234 L C 0.327 176.912 176.870 -0.475 0.000 1.075 234 L CA -0.417 54.292 54.840 -0.219 0.000 0.804 234 L CB 0.555 42.639 42.059 0.041 0.000 1.174 234 L HN 0.392 nan 8.230 nan 0.000 0.438 235 H N 2.137 121.186 119.070 -0.035 0.000 2.340 235 H HA 0.269 4.828 4.556 0.005 0.000 0.233 235 H C -2.351 172.627 175.328 -0.583 0.000 1.435 235 H CA -2.281 53.638 56.048 -0.214 0.000 1.389 235 H CB 0.399 30.104 29.762 -0.096 0.000 1.491 235 H HN 0.260 nan 8.280 nan 0.000 0.518 236 P HA -0.039 nan 4.420 nan 0.000 0.262 236 P C 0.412 177.289 177.300 -0.705 0.000 1.182 236 P CA 0.937 63.280 63.100 -1.262 0.000 0.761 236 P CB 0.437 31.657 31.700 -0.800 0.000 0.795 237 D N 2.269 122.275 120.400 -0.656 0.000 2.981 237 D HA -0.114 4.529 4.640 0.005 0.000 0.213 237 D C 0.038 176.243 176.300 -0.160 0.000 1.054 237 D CA 0.713 54.549 54.000 -0.273 0.000 0.815 237 D CB -1.647 39.032 40.800 -0.202 0.000 1.063 237 D HN 0.468 nan 8.370 nan 0.000 0.446 238 K N -0.204 120.131 120.400 -0.108 0.000 2.618 238 K HA 0.146 4.468 4.320 0.005 0.000 0.205 238 K C -0.407 176.438 176.600 0.408 0.000 1.445 238 K CA -0.365 55.994 56.287 0.120 0.000 1.034 238 K CB 0.255 32.845 32.500 0.149 0.000 1.209 238 K HN 0.098 nan 8.250 nan 0.000 0.627 239 W N 2.887 124.213 121.300 0.044 0.000 2.937 239 W HA 0.229 4.892 4.660 0.005 0.000 0.435 239 W C 0.035 176.579 176.519 0.043 0.000 0.912 239 W CA -0.708 56.669 57.345 0.054 0.000 2.209 239 W CB -0.600 28.879 29.460 0.032 0.000 1.144 239 W HN -0.067 nan 8.180 nan 0.000 0.762 240 T N -1.557 113.134 114.554 0.228 0.000 2.888 240 T HA 0.317 4.670 4.350 0.005 0.000 0.301 240 T C 0.233 175.013 174.700 0.134 0.000 1.001 240 T CA -0.452 61.735 62.100 0.144 0.000 1.147 240 T CB 1.790 70.717 68.868 0.099 0.000 0.931 240 T HN -0.155 nan 8.240 nan 0.000 0.541 241 V N 4.720 124.705 119.914 0.119 0.000 2.529 241 V HA 0.086 4.209 4.120 0.005 0.000 0.292 241 V C 0.724 176.875 176.094 0.094 0.000 1.028 241 V CA -0.191 62.172 62.300 0.104 0.000 1.074 241 V CB 0.380 32.270 31.823 0.112 0.000 0.958 241 V HN 0.837 nan 8.190 nan 0.000 0.481 242 Q N 6.770 126.619 119.800 0.082 0.000 2.259 242 Q HA 0.420 4.763 4.340 0.005 0.000 0.246 242 Q C -2.093 173.959 176.000 0.086 0.000 0.920 242 Q CA -1.687 54.160 55.803 0.073 0.000 0.895 242 Q CB 1.472 30.244 28.738 0.056 0.000 1.220 242 Q HN 0.519 nan 8.270 nan 0.000 0.439 243 P HA 0.309 nan 4.420 nan 0.000 0.278 243 P C -0.467 176.848 177.300 0.025 0.000 1.266 243 P CA -0.544 62.599 63.100 0.072 0.000 0.807 243 P CB 1.102 32.831 31.700 0.049 0.000 1.094 244 I N 0.844 121.416 120.570 0.003 0.000 2.396 244 I HA 0.234 4.407 4.170 0.005 0.000 0.292 244 I C 0.440 176.473 176.117 -0.140 0.000 0.999 244 I CA -0.617 60.594 61.300 -0.148 0.000 1.310 244 I CB 1.217 39.050 38.000 -0.277 0.000 1.404 244 I HN 0.078 nan 8.210 nan 0.000 0.496 245 V N 7.945 127.759 119.914 -0.165 0.000 2.448 245 V HA 0.503 4.625 4.120 0.005 0.000 0.295 245 V C -0.319 175.703 176.094 -0.120 0.000 1.025 245 V CA -0.573 61.664 62.300 -0.106 0.000 0.859 245 V CB 1.866 33.649 31.823 -0.066 0.000 0.988 245 V HN 0.545 nan 8.190 nan 0.000 0.431 246 L N 8.453 129.639 121.223 -0.063 0.000 2.379 246 L HA 0.594 4.937 4.340 0.005 0.000 0.269 246 L C -1.820 175.076 176.870 0.043 0.000 1.084 246 L CA -1.738 53.094 54.840 -0.014 0.000 0.802 246 L CB 1.253 43.332 42.059 0.033 0.000 1.175 246 L HN 0.523 nan 8.230 nan 0.000 0.448 247 P HA 0.183 nan 4.420 nan 0.000 0.272 247 P C -1.226 176.190 177.300 0.193 0.000 1.240 247 P CA -0.363 62.781 63.100 0.073 0.000 0.791 247 P CB 0.908 32.619 31.700 0.019 0.000 0.978 248 E N 0.618 120.842 120.200 0.040 0.000 2.292 248 E HA 0.387 4.739 4.350 0.005 0.000 0.272 248 E C -0.554 175.925 176.600 -0.201 0.000 0.881 248 E CA -0.872 55.596 56.400 0.115 0.000 0.754 248 E CB 2.123 31.887 29.700 0.107 0.000 1.201 248 E HN 0.349 nan 8.360 nan 0.000 0.425 249 K N 1.858 122.043 120.400 -0.358 0.000 2.480 249 K HA 0.318 4.640 4.320 0.005 0.000 0.258 249 K C -0.380 176.074 176.600 -0.244 0.000 0.990 249 K CA -0.683 55.250 56.287 -0.590 0.000 0.857 249 K CB 1.705 33.395 32.500 -1.351 0.000 1.384 249 K HN 0.301 nan 8.250 nan 0.000 0.446 250 D N 0.625 120.912 120.400 -0.189 0.000 2.106 250 D HA -0.027 4.616 4.640 0.005 0.000 0.203 250 D C -0.001 176.299 176.300 -0.000 0.000 0.977 250 D CA 1.257 55.232 54.000 -0.042 0.000 0.844 250 D CB 0.243 41.016 40.800 -0.046 0.000 1.002 250 D HN 0.242 nan 8.370 nan 0.000 0.461 251 S N -0.679 114.963 115.700 -0.096 0.000 2.509 251 S HA 0.471 4.944 4.470 0.005 0.000 0.297 251 S C -1.236 173.286 174.600 -0.130 0.000 1.118 251 S CA -0.719 57.475 58.200 -0.011 0.000 1.074 251 S CB 0.927 64.120 63.200 -0.012 0.000 1.038 251 S HN 0.138 nan 8.310 nan 0.000 0.498 252 W N 1.547 122.843 121.300 -0.007 0.000 2.632 252 W HA 0.490 5.153 4.660 0.005 0.000 0.328 252 W C 0.474 176.989 176.519 -0.006 0.000 1.044 252 W CA -0.615 56.726 57.345 -0.007 0.000 1.225 252 W CB 1.171 30.627 29.460 -0.006 0.000 1.396 252 W HN 0.623 nan 8.180 nan 0.000 0.499 253 T N -1.934 112.738 114.554 0.197 0.000 2.944 253 T HA 0.322 4.675 4.350 0.005 0.000 0.284 253 T C 0.798 175.575 174.700 0.128 0.000 1.010 253 T CA -0.797 61.374 62.100 0.119 0.000 1.025 253 T CB 1.313 70.216 68.868 0.057 0.000 1.079 253 T HN 0.210 nan 8.240 nan 0.000 0.516 254 V N 1.528 121.491 119.914 0.082 0.000 2.324 254 V HA -0.234 3.889 4.120 0.005 0.000 0.250 254 V C 2.840 178.975 176.094 0.068 0.000 1.060 254 V CA 2.326 64.665 62.300 0.065 0.000 1.042 254 V CB -1.083 30.764 31.823 0.041 0.000 0.650 254 V HN 1.016 nan 8.190 nan 0.000 0.450 255 N N -0.208 118.529 118.700 0.062 0.000 2.166 255 N HA -0.201 4.542 4.740 0.005 0.000 0.186 255 N C 1.518 177.078 175.510 0.083 0.000 1.019 255 N CA 1.574 54.657 53.050 0.055 0.000 0.856 255 N CB -0.039 38.469 38.487 0.035 0.000 0.993 255 N HN 0.490 nan 8.380 nan 0.000 0.426 256 D N 1.248 121.721 120.400 0.122 0.000 2.097 256 D HA -0.130 4.512 4.640 0.005 0.000 0.195 256 D C 2.139 178.591 176.300 0.253 0.000 0.989 256 D CA 0.672 54.793 54.000 0.202 0.000 0.827 256 D CB -0.225 40.744 40.800 0.282 0.000 0.966 256 D HN 0.317 nan 8.370 nan 0.000 0.456 257 I N 1.206 121.903 120.570 0.213 0.000 2.127 257 I HA -0.250 3.922 4.170 0.005 0.000 0.241 257 I C 2.429 178.589 176.117 0.070 0.000 1.075 257 I CA 1.183 62.543 61.300 0.100 0.000 1.334 257 I CB -1.303 36.718 38.000 0.034 0.000 1.040 257 I HN 0.113 nan 8.210 nan 0.000 0.405 258 Q N 0.861 120.700 119.800 0.065 0.000 2.096 258 Q HA -0.255 4.088 4.340 0.005 0.000 0.208 258 Q C 2.304 178.337 176.000 0.055 0.000 0.993 258 Q CA 1.955 57.787 55.803 0.049 0.000 0.862 258 Q CB -0.196 28.567 28.738 0.042 0.000 0.915 258 Q HN 0.511 nan 8.270 nan 0.000 0.416 259 K N 0.114 120.555 120.400 0.068 0.000 2.057 259 K HA -0.172 4.151 4.320 0.005 0.000 0.207 259 K C 2.079 178.728 176.600 0.082 0.000 1.049 259 K CA 0.961 57.286 56.287 0.064 0.000 0.931 259 K CB -0.205 32.332 32.500 0.061 0.000 0.714 259 K HN 0.070 nan 8.250 nan 0.000 0.440 260 L N 0.976 122.262 121.223 0.105 0.000 1.976 260 L HA -0.182 4.161 4.340 0.005 0.000 0.209 260 L C 2.098 179.020 176.870 0.086 0.000 1.071 260 L CA 1.507 56.413 54.840 0.109 0.000 0.746 260 L CB -0.477 41.648 42.059 0.109 0.000 0.890 260 L HN -0.091 nan 8.230 nan 0.000 0.432 261 V N 0.183 120.128 119.914 0.051 0.000 2.324 261 V HA -0.304 3.819 4.120 0.005 0.000 0.250 261 V C 2.588 178.717 176.094 0.060 0.000 1.060 261 V CA 1.937 64.259 62.300 0.036 0.000 1.042 261 V CB -1.749 30.082 31.823 0.015 0.000 0.650 261 V HN 0.672 nan 8.190 nan 0.000 0.450 262 G N -0.399 108.440 108.800 0.065 0.000 2.418 262 G HA2 -0.246 3.717 3.960 0.005 0.000 0.217 262 G HA3 -0.246 3.717 3.960 0.005 0.000 0.217 262 G C 1.657 176.626 174.900 0.116 0.000 1.158 262 G CA 0.933 46.077 45.100 0.073 0.000 0.771 262 G HN 0.496 nan 8.290 nan 0.000 0.545 263 K N -0.101 120.385 120.400 0.143 0.000 2.026 263 K HA 0.082 4.405 4.320 0.005 0.000 0.208 263 K C 2.544 179.333 176.600 0.315 0.000 1.048 263 K CA 0.767 57.206 56.287 0.254 0.000 0.929 263 K CB -0.348 32.324 32.500 0.287 0.000 0.713 263 K HN 0.247 nan 8.250 nan 0.000 0.439 264 L N 1.239 122.600 121.223 0.230 0.000 1.970 264 L HA -0.258 4.085 4.340 0.005 0.000 0.212 264 L C 2.391 179.281 176.870 0.033 0.000 1.071 264 L CA 1.499 56.426 54.840 0.145 0.000 0.751 264 L CB -0.735 41.378 42.059 0.089 0.000 0.889 264 L HN 0.281 nan 8.230 nan 0.000 0.432 265 N N -0.547 118.178 118.700 0.041 0.000 2.133 265 N HA -0.304 4.439 4.740 0.005 0.000 0.193 265 N C 1.620 177.109 175.510 -0.034 0.000 1.012 265 N CA 1.931 54.980 53.050 -0.001 0.000 0.871 265 N CB -0.330 38.174 38.487 0.028 0.000 1.011 265 N HN 0.419 nan 8.380 nan 0.000 0.435 266 W N 0.671 121.860 121.300 -0.185 0.000 2.407 266 W HA 0.157 4.820 4.660 0.006 0.000 0.305 266 W C 2.351 178.573 176.519 -0.495 0.000 1.196 266 W CA 1.873 59.053 57.345 -0.275 0.000 1.311 266 W CB -0.752 28.584 29.460 -0.207 0.000 1.135 266 W HN 0.137 nan 8.180 nan 0.000 0.514 267 A N 0.412 122.963 122.820 -0.448 0.000 2.032 267 A HA -0.276 4.047 4.320 0.005 0.000 0.221 267 A C 2.015 179.195 177.584 -0.674 0.000 1.165 267 A CA 2.472 53.946 52.037 -0.939 0.000 0.645 267 A CB -1.607 16.745 19.000 -1.080 0.000 0.807 267 A HN 0.448 nan 8.150 nan 0.000 0.453 268 S N -0.574 114.857 115.700 -0.449 0.000 2.493 268 S HA -0.251 4.222 4.470 0.005 0.000 0.243 268 S C 1.615 175.929 174.600 -0.477 0.000 0.991 268 S CA 1.487 59.485 58.200 -0.337 0.000 0.957 268 S CB -0.515 62.545 63.200 -0.233 0.000 0.756 268 S HN 0.727 nan 8.310 nan 0.000 0.521 269 Q N 0.029 119.349 119.800 -0.799 0.000 2.311 269 Q HA 0.252 4.595 4.340 0.005 0.000 0.203 269 Q C 1.800 177.229 176.000 -0.952 0.000 0.954 269 Q CA 1.123 56.335 55.803 -0.985 0.000 0.885 269 Q CB -0.127 27.610 28.738 -1.667 0.000 0.963 269 Q HN 0.679 nan 8.270 nan 0.000 0.471 270 I N -1.766 118.272 120.570 -0.886 0.000 3.172 270 I HA -0.021 4.152 4.170 0.005 0.000 0.278 270 I C -0.238 175.468 176.117 -0.684 0.000 1.174 270 I CA 0.324 61.181 61.300 -0.737 0.000 1.445 270 I CB 0.643 38.203 38.000 -0.733 0.000 1.175 270 I HN 0.013 nan 8.210 nan 0.000 0.447 271 Y N 0.791 120.886 120.300 -0.342 0.000 2.526 271 Y HA 0.324 4.877 4.550 0.004 0.000 0.328 271 Y C -2.044 173.724 175.900 -0.219 0.000 0.995 271 Y CA -2.076 55.889 58.100 -0.226 0.000 1.304 271 Y CB 0.620 38.981 38.460 -0.165 0.000 1.096 271 Y HN -0.122 nan 8.280 nan 0.000 0.499 272 P HA -0.112 nan 4.420 nan 0.000 0.222 272 P C 1.568 178.835 177.300 -0.056 0.000 1.147 272 P CA 1.355 64.399 63.100 -0.094 0.000 0.790 272 P CB 0.410 32.051 31.700 -0.097 0.000 0.780 273 G N -0.815 107.972 108.800 -0.022 0.000 2.679 273 G HA2 -0.049 3.913 3.960 0.005 0.000 0.212 273 G HA3 -0.049 3.913 3.960 0.005 0.000 0.212 273 G C 0.549 175.427 174.900 -0.036 0.000 1.137 273 G CA -0.149 44.936 45.100 -0.025 0.000 0.787 273 G HN 0.249 nan 8.290 nan 0.000 0.534 274 I N 0.935 121.481 120.570 -0.039 0.000 2.533 274 I HA 0.180 4.353 4.170 0.005 0.000 0.284 274 I C 0.093 176.177 176.117 -0.055 0.000 1.109 274 I CA 0.315 61.585 61.300 -0.051 0.000 1.412 274 I CB 0.895 38.861 38.000 -0.058 0.000 1.396 274 I HN -0.055 nan 8.210 nan 0.000 0.543 275 K N 4.656 125.027 120.400 -0.049 0.000 2.328 275 K HA 0.549 4.872 4.320 0.005 0.000 0.246 275 K C -0.266 176.307 176.600 -0.045 0.000 0.955 275 K CA -0.610 55.649 56.287 -0.047 0.000 0.817 275 K CB 3.010 35.484 32.500 -0.044 0.000 1.208 275 K HN 0.291 nan 8.250 nan 0.000 0.432 276 V N 2.584 122.472 119.914 -0.042 0.000 3.415 276 V HA 0.087 4.210 4.120 0.005 0.000 0.315 276 V C 1.321 177.391 176.094 -0.041 0.000 1.516 276 V CA 0.064 62.340 62.300 -0.041 0.000 1.122 276 V CB 0.167 31.973 31.823 -0.028 0.000 0.988 276 V HN 0.722 nan 8.190 nan 0.000 0.474 277 R N -0.125 120.351 120.500 -0.040 0.000 2.081 277 R HA -0.138 4.204 4.340 0.005 0.000 0.235 277 R C 1.962 178.238 176.300 -0.039 0.000 1.131 277 R CA 1.861 57.940 56.100 -0.036 0.000 0.960 277 R CB 0.179 30.459 30.300 -0.033 0.000 0.856 277 R HN 0.476 nan 8.270 nan 0.000 0.436 278 Q N 0.196 119.968 119.800 -0.047 0.000 2.230 278 Q HA -0.071 4.272 4.340 0.005 0.000 0.202 278 Q C 2.183 178.145 176.000 -0.064 0.000 0.963 278 Q CA 0.929 56.700 55.803 -0.053 0.000 0.866 278 Q CB 0.049 28.752 28.738 -0.058 0.000 0.931 278 Q HN 0.421 nan 8.270 nan 0.000 0.452 279 L N -0.721 120.458 121.223 -0.074 0.000 2.095 279 L HA -0.123 4.220 4.340 0.005 0.000 0.204 279 L C 2.519 179.354 176.870 -0.058 0.000 1.080 279 L CA 0.569 55.356 54.840 -0.088 0.000 0.759 279 L CB -0.494 41.502 42.059 -0.105 0.000 0.914 279 L HN 0.191 nan 8.230 nan 0.000 0.439 280 C N -0.008 119.266 119.300 -0.042 0.000 2.411 280 C HA -0.132 4.330 4.460 0.005 0.000 0.279 280 C C 2.839 177.815 174.990 -0.024 0.000 1.288 280 C CA 0.509 59.511 59.018 -0.027 0.000 1.764 280 C CB -0.666 27.061 27.740 -0.022 0.000 1.974 280 C HN 0.382 nan 8.230 nan 0.000 0.498 281 K N 0.874 121.256 120.400 -0.029 0.000 2.063 281 K HA -0.073 4.250 4.320 0.005 0.000 0.208 281 K C 1.716 178.302 176.600 -0.022 0.000 1.048 281 K CA 1.293 57.565 56.287 -0.025 0.000 0.928 281 K CB -0.675 31.808 32.500 -0.028 0.000 0.713 281 K HN 0.546 nan 8.250 nan 0.000 0.442 282 L N 0.299 121.504 121.223 -0.029 0.000 2.362 282 L HA -0.133 4.210 4.340 0.005 0.000 0.219 282 L C 1.299 178.162 176.870 -0.011 0.000 1.134 282 L CA 0.286 55.112 54.840 -0.023 0.000 0.807 282 L CB -0.235 41.801 42.059 -0.037 0.000 0.927 282 L HN 0.003 nan 8.230 nan 0.000 0.447 283 L N -0.249 120.968 121.223 -0.010 0.000 2.728 283 L HA 0.180 4.523 4.340 0.005 0.000 0.235 283 L C 0.771 177.641 176.870 -0.000 0.000 1.197 283 L CA 0.505 55.344 54.840 -0.001 0.000 0.992 283 L CB -0.647 41.413 42.059 0.000 0.000 1.263 283 L HN 0.033 nan 8.230 nan 0.000 0.484 284 R N -0.125 120.373 120.500 -0.003 0.000 2.297 284 R HA 0.600 4.943 4.340 0.005 0.000 0.308 284 R C 0.108 176.408 176.300 0.001 0.000 1.029 284 R CA 0.375 56.474 56.100 -0.002 0.000 0.929 284 R CB 0.851 31.148 30.300 -0.005 0.000 1.046 284 R HN 0.272 nan 8.270 nan 0.000 0.461 285 G N 1.019 109.820 108.800 0.002 0.000 2.515 285 G HA2 -0.170 3.793 3.960 0.005 0.000 0.686 285 G HA3 -0.170 3.793 3.960 0.005 0.000 0.686 285 G C -0.678 174.226 174.900 0.005 0.000 1.274 285 G CA -0.494 44.608 45.100 0.003 0.000 0.874 285 G HN 0.562 nan 8.290 nan 0.000 0.631 286 T N -0.515 114.042 114.554 0.006 0.000 3.400 286 T HA 0.612 4.965 4.350 0.005 0.000 0.364 286 T C 0.343 175.048 174.700 0.008 0.000 1.636 286 T CA -0.421 61.683 62.100 0.007 0.000 1.211 286 T CB 0.463 69.335 68.868 0.006 0.000 1.180 286 T HN 0.637 nan 8.240 nan 0.000 0.730 287 K N 1.293 121.699 120.400 0.010 0.000 2.109 287 K HA 0.713 5.036 4.320 0.005 0.000 0.243 287 K C 0.370 176.978 176.600 0.013 0.000 1.006 287 K CA -0.958 55.336 56.287 0.012 0.000 0.917 287 K CB 1.145 33.654 32.500 0.015 0.000 1.081 287 K HN 0.565 nan 8.250 nan 0.000 0.468 288 A N 1.475 124.302 122.820 0.013 0.000 2.425 288 A HA 0.072 4.395 4.320 0.005 0.000 0.249 288 A C 0.971 178.564 177.584 0.016 0.000 1.084 288 A CA -0.346 51.699 52.037 0.012 0.000 0.781 288 A CB 0.103 19.108 19.000 0.010 0.000 1.019 288 A HN 0.615 nan 8.150 nan 0.000 0.490 289 L N 2.423 123.655 121.223 0.015 0.000 2.189 289 L HA -0.162 4.181 4.340 0.005 0.000 0.214 289 L C 2.743 179.626 176.870 0.021 0.000 1.097 289 L CA 2.768 57.620 54.840 0.019 0.000 0.764 289 L CB -1.136 40.932 42.059 0.015 0.000 0.900 289 L HN 0.949 nan 8.230 nan 0.000 0.436 290 T N -4.387 110.176 114.554 0.015 0.000 3.054 290 T HA -0.029 4.324 4.350 0.005 0.000 0.259 290 T C 0.921 175.632 174.700 0.017 0.000 1.092 290 T CA -0.324 61.783 62.100 0.013 0.000 1.121 290 T CB -0.267 68.604 68.868 0.005 0.000 0.912 290 T HN 0.311 nan 8.240 nan 0.000 0.489 291 E N 1.565 121.777 120.200 0.020 0.000 2.529 291 E HA 0.153 4.506 4.350 0.005 0.000 0.259 291 E C -0.649 175.972 176.600 0.034 0.000 0.966 291 E CA -0.308 56.105 56.400 0.023 0.000 0.937 291 E CB 0.520 30.232 29.700 0.021 0.000 0.923 291 E HN 0.130 nan 8.360 nan 0.000 0.468 292 V N 6.133 126.068 119.914 0.035 0.000 2.732 292 V HA 0.219 4.342 4.120 0.005 0.000 0.297 292 V C 0.508 176.637 176.094 0.059 0.000 1.060 292 V CA 0.001 62.333 62.300 0.053 0.000 1.038 292 V CB 1.028 32.877 31.823 0.043 0.000 1.003 292 V HN 0.598 nan 8.190 nan 0.000 0.481 293 I N 5.767 126.388 120.570 0.085 0.000 2.533 293 I HA 0.396 4.568 4.170 0.005 0.000 0.290 293 I C -2.366 173.799 176.117 0.080 0.000 1.056 293 I CA -1.877 59.464 61.300 0.068 0.000 1.057 293 I CB 2.986 41.020 38.000 0.055 0.000 1.240 293 I HN 0.502 nan 8.210 nan 0.000 0.423 294 P HA 0.231 nan 4.420 nan 0.000 0.287 294 P C -0.902 176.407 177.300 0.015 0.000 1.281 294 P CA -0.523 62.605 63.100 0.047 0.000 0.781 294 P CB 1.240 32.959 31.700 0.032 0.000 0.903 295 L N 3.755 124.979 121.223 0.001 0.000 2.426 295 L HA 0.217 4.559 4.340 0.005 0.000 0.271 295 L C 1.516 178.361 176.870 -0.042 0.000 1.169 295 L CA 0.674 55.479 54.840 -0.058 0.000 0.836 295 L CB 0.167 42.152 42.059 -0.124 0.000 1.112 295 L HN 0.493 nan 8.230 nan 0.000 0.465 296 T N -1.057 113.465 114.554 -0.053 0.000 2.882 296 T HA 0.189 4.542 4.350 0.005 0.000 0.287 296 T C 0.964 175.638 174.700 -0.044 0.000 1.014 296 T CA -0.619 61.458 62.100 -0.039 0.000 1.049 296 T CB 0.908 69.753 68.868 -0.038 0.000 1.001 296 T HN 0.553 nan 8.240 nan 0.000 0.525 297 E N 0.461 120.643 120.200 -0.031 0.000 2.160 297 E HA -0.116 4.236 4.350 0.005 0.000 0.195 297 E C 1.828 178.405 176.600 -0.037 0.000 0.991 297 E CA 1.338 57.720 56.400 -0.030 0.000 0.810 297 E CB -0.179 29.509 29.700 -0.020 0.000 0.742 297 E HN 0.786 nan 8.360 nan 0.000 0.466 298 E N -0.346 119.831 120.200 -0.039 0.000 2.046 298 E HA -0.016 4.337 4.350 0.005 0.000 0.190 298 E C 1.894 178.459 176.600 -0.058 0.000 0.982 298 E CA 1.251 57.626 56.400 -0.042 0.000 0.800 298 E CB -0.478 29.200 29.700 -0.037 0.000 0.756 298 E HN 0.299 nan 8.360 nan 0.000 0.449 299 A N 0.702 123.479 122.820 -0.071 0.000 2.015 299 A HA -0.189 4.134 4.320 0.005 0.000 0.219 299 A C 2.092 179.602 177.584 -0.123 0.000 1.163 299 A CA 1.634 53.611 52.037 -0.100 0.000 0.646 299 A CB -0.420 18.511 19.000 -0.114 0.000 0.806 299 A HN 0.224 nan 8.150 nan 0.000 0.448 300 E N -0.482 119.656 120.200 -0.103 0.000 2.107 300 E HA -0.137 4.216 4.350 0.005 0.000 0.191 300 E C 1.801 178.355 176.600 -0.077 0.000 0.982 300 E CA 1.196 57.536 56.400 -0.100 0.000 0.809 300 E CB -0.200 29.461 29.700 -0.065 0.000 0.756 300 E HN 0.482 nan 8.360 nan 0.000 0.459 301 L N 1.038 122.225 121.223 -0.061 0.000 2.072 301 L HA -0.044 4.298 4.340 0.005 0.000 0.205 301 L C 2.167 179.005 176.870 -0.054 0.000 1.079 301 L CA 2.058 56.869 54.840 -0.047 0.000 0.752 301 L CB -0.596 41.441 42.059 -0.037 0.000 0.906 301 L HN 0.226 nan 8.230 nan 0.000 0.436 302 E N -0.248 119.915 120.200 -0.063 0.000 2.070 302 E HA -0.286 4.066 4.350 0.005 0.000 0.197 302 E C 2.283 178.840 176.600 -0.072 0.000 1.004 302 E CA 1.979 58.341 56.400 -0.064 0.000 0.805 302 E CB -0.362 29.295 29.700 -0.071 0.000 0.744 302 E HN 0.612 nan 8.360 nan 0.000 0.451 303 L N 0.191 121.357 121.223 -0.095 0.000 2.046 303 L HA -0.190 4.153 4.340 0.005 0.000 0.208 303 L C 2.565 179.395 176.870 -0.067 0.000 1.077 303 L CA 1.260 56.038 54.840 -0.103 0.000 0.747 303 L CB -0.373 41.587 42.059 -0.165 0.000 0.896 303 L HN 0.287 nan 8.230 nan 0.000 0.432 304 A N -0.527 122.259 122.820 -0.056 0.000 1.902 304 A HA -0.251 4.072 4.320 0.005 0.000 0.217 304 A C 2.078 179.640 177.584 -0.037 0.000 1.181 304 A CA 1.790 53.805 52.037 -0.036 0.000 0.623 304 A CB -0.477 18.506 19.000 -0.029 0.000 0.818 304 A HN 0.507 nan 8.150 nan 0.000 0.443 305 E N -0.137 120.038 120.200 -0.042 0.000 2.077 305 E HA -0.173 4.179 4.350 0.005 0.000 0.193 305 E C 1.791 178.358 176.600 -0.055 0.000 0.989 305 E CA 1.070 57.444 56.400 -0.043 0.000 0.800 305 E CB -0.226 29.450 29.700 -0.040 0.000 0.746 305 E HN 0.570 nan 8.360 nan 0.000 0.452 306 N N 1.012 119.677 118.700 -0.058 0.000 2.104 306 N HA -0.155 4.587 4.740 0.005 0.000 0.190 306 N C 1.792 177.254 175.510 -0.080 0.000 1.024 306 N CA 1.025 54.034 53.050 -0.068 0.000 0.853 306 N CB -0.276 38.184 38.487 -0.045 0.000 1.008 306 N HN 0.161 nan 8.380 nan 0.000 0.424 307 R N 0.778 121.245 120.500 -0.055 0.000 2.083 307 R HA -0.132 4.210 4.340 0.005 0.000 0.237 307 R C 2.066 178.327 176.300 -0.065 0.000 1.137 307 R CA 1.160 57.230 56.100 -0.050 0.000 0.951 307 R CB -0.225 30.060 30.300 -0.026 0.000 0.851 307 R HN 0.174 nan 8.270 nan 0.000 0.434 308 E N 1.163 121.329 120.200 -0.056 0.000 2.023 308 E HA -0.162 4.191 4.350 0.005 0.000 0.196 308 E C 1.815 178.369 176.600 -0.077 0.000 1.003 308 E CA 1.395 57.766 56.400 -0.049 0.000 0.809 308 E CB -0.258 29.421 29.700 -0.034 0.000 0.755 308 E HN 0.248 nan 8.360 nan 0.000 0.449 309 I N 0.172 120.675 120.570 -0.112 0.000 2.194 309 I HA -0.301 3.871 4.170 0.005 0.000 0.246 309 I C 2.054 177.977 176.117 -0.323 0.000 1.093 309 I CA 1.069 62.265 61.300 -0.173 0.000 1.355 309 I CB -0.251 37.635 38.000 -0.190 0.000 1.046 309 I HN 0.154 nan 8.210 nan 0.000 0.413 310 L N 0.361 121.366 121.223 -0.362 0.000 2.622 310 L HA -0.115 4.227 4.340 0.005 0.000 0.233 310 L C 1.993 178.778 176.870 -0.142 0.000 1.156 310 L CA 0.612 55.213 54.840 -0.397 0.000 0.866 310 L CB -0.479 41.444 42.059 -0.227 0.000 0.980 310 L HN 0.187 nan 8.230 nan 0.000 0.448 311 K N 0.280 120.633 120.400 -0.079 0.000 2.504 311 K HA 0.023 4.346 4.320 0.005 0.000 0.195 311 K C -0.043 176.584 176.600 0.046 0.000 1.036 311 K CA 0.614 56.897 56.287 -0.006 0.000 0.984 311 K CB 0.173 32.673 32.500 0.000 0.000 0.788 311 K HN 0.406 nan 8.250 nan 0.000 0.488 312 E N -0.104 120.143 120.200 0.078 0.000 2.392 312 E HA 0.207 4.560 4.350 0.005 0.000 0.279 312 E C -2.741 174.000 176.600 0.235 0.000 0.964 312 E CA -2.139 54.346 56.400 0.143 0.000 0.777 312 E CB 2.179 31.966 29.700 0.145 0.000 1.249 312 E HN -0.113 nan 8.360 nan 0.000 0.449 313 P HA -0.045 nan 4.420 nan 0.000 0.267 313 P C -0.047 177.343 177.300 0.150 0.000 1.200 313 P CA -0.195 63.028 63.100 0.205 0.000 0.772 313 P CB 0.651 32.438 31.700 0.145 0.000 0.855 314 V N 4.316 124.223 119.914 -0.011 0.000 2.694 314 V HA -0.054 4.068 4.120 0.005 0.000 0.306 314 V C 0.833 176.920 176.094 -0.013 0.000 1.054 314 V CA 0.214 62.420 62.300 -0.156 0.000 1.161 314 V CB -0.851 30.726 31.823 -0.410 0.000 0.916 314 V HN 0.515 nan 8.190 nan 0.000 0.490 315 H N 4.447 123.492 119.070 -0.042 0.000 2.822 315 H HA 0.335 4.894 4.556 0.005 0.000 0.373 315 H C 1.334 176.595 175.328 -0.112 0.000 1.223 315 H CA 0.084 56.100 56.048 -0.054 0.000 1.436 315 H CB 0.385 30.143 29.762 -0.006 0.000 1.439 315 H HN 1.134 nan 8.280 nan 0.000 0.618 316 G N 0.594 109.374 108.800 -0.032 0.000 2.273 316 G HA2 -0.248 3.715 3.960 0.005 0.000 0.280 316 G HA3 -0.248 3.715 3.960 0.005 0.000 0.280 316 G C -0.389 174.329 174.900 -0.302 0.000 1.047 316 G CA 0.319 45.341 45.100 -0.130 0.000 0.869 316 G HN 0.415 nan 8.290 nan 0.000 0.502 317 V N 0.712 120.310 119.914 -0.527 0.000 2.350 317 V HA 0.655 4.777 4.120 0.005 0.000 0.285 317 V C -0.443 175.349 176.094 -0.503 0.000 1.014 317 V CA -0.853 61.248 62.300 -0.331 0.000 0.831 317 V CB 0.972 32.711 31.823 -0.140 0.000 1.000 317 V HN 0.297 nan 8.190 nan 0.000 0.433 318 Y N 2.894 123.248 120.300 0.090 0.000 2.499 318 Y HA 0.442 4.995 4.550 0.005 0.000 0.347 318 Y C -0.224 175.761 175.900 0.142 0.000 0.987 318 Y CA -1.281 56.891 58.100 0.119 0.000 1.044 318 Y CB 1.550 40.055 38.460 0.075 0.000 1.245 318 Y HN 0.646 nan 8.280 nan 0.000 0.461 319 Y N 3.017 123.451 120.300 0.222 0.000 2.465 319 Y HA 0.125 4.678 4.550 0.005 0.000 0.331 319 Y C -0.107 175.836 175.900 0.072 0.000 1.102 319 Y CA -0.039 58.119 58.100 0.098 0.000 1.358 319 Y CB 0.519 39.088 38.460 0.182 0.000 1.213 319 Y HN 0.585 nan 8.280 nan 0.000 0.525 320 D N 8.998 129.111 120.400 -0.478 0.000 2.454 320 D HA 0.232 4.875 4.640 0.005 0.000 0.225 320 D C -2.065 173.717 176.300 -0.864 0.000 1.081 320 D CA -2.384 51.318 54.000 -0.497 0.000 0.864 320 D CB 1.871 42.540 40.800 -0.219 0.000 1.040 320 D HN 0.396 nan 8.370 nan 0.000 0.517 321 P HA -0.138 nan 4.420 nan 0.000 0.218 321 P C 0.849 177.987 177.300 -0.269 0.000 1.146 321 P CA 0.980 63.712 63.100 -0.614 0.000 0.813 321 P CB 0.143 31.686 31.700 -0.263 0.000 0.778 322 S N -2.276 113.291 115.700 -0.221 0.000 2.768 322 S HA 0.230 4.703 4.470 0.005 0.000 0.246 322 S C 0.362 174.895 174.600 -0.111 0.000 1.006 322 S CA -0.208 57.919 58.200 -0.122 0.000 1.075 322 S CB -0.735 62.408 63.200 -0.094 0.000 0.786 322 S HN 0.033 nan 8.310 nan 0.000 0.468 323 K N 0.615 120.934 120.400 -0.135 0.000 2.546 323 K HA 0.333 4.655 4.320 0.005 0.000 0.264 323 K C -1.698 174.850 176.600 -0.087 0.000 0.937 323 K CA -0.809 55.417 56.287 -0.102 0.000 0.833 323 K CB 1.397 33.834 32.500 -0.106 0.000 1.378 323 K HN 0.090 nan 8.250 nan 0.000 0.432 324 D N 1.414 121.762 120.400 -0.087 0.000 2.382 324 D HA 0.140 4.783 4.640 0.005 0.000 0.240 324 D C -0.332 175.866 176.300 -0.170 0.000 1.146 324 D CA -0.054 53.880 54.000 -0.110 0.000 0.897 324 D CB 0.653 41.387 40.800 -0.110 0.000 1.197 324 D HN 0.074 nan 8.370 nan 0.000 0.432 325 L N 1.617 122.699 121.223 -0.236 0.000 2.307 325 L HA 0.431 4.773 4.340 0.005 0.000 0.282 325 L C 0.123 176.725 176.870 -0.446 0.000 1.051 325 L CA -0.298 54.314 54.840 -0.379 0.000 0.804 325 L CB 1.068 42.841 42.059 -0.477 0.000 1.197 325 L HN 0.236 nan 8.230 nan 0.000 0.431 326 I N 2.174 122.372 120.570 -0.620 0.000 2.474 326 I HA 0.688 4.861 4.170 0.005 0.000 0.294 326 I C -0.329 175.296 176.117 -0.821 0.000 1.005 326 I CA -0.780 60.083 61.300 -0.728 0.000 1.113 326 I CB 2.028 39.476 38.000 -0.920 0.000 1.289 326 I HN 0.651 nan 8.210 nan 0.000 0.436 327 A N 5.397 127.784 122.820 -0.722 0.000 2.311 327 A HA 0.529 4.852 4.320 0.005 0.000 0.306 327 A C -0.704 176.662 177.584 -0.363 0.000 1.189 327 A CA -0.484 51.171 52.037 -0.637 0.000 0.791 327 A CB 0.950 19.273 19.000 -1.128 0.000 1.172 327 A HN 0.756 nan 8.150 nan 0.000 0.481 328 E N 2.363 122.493 120.200 -0.115 0.000 2.179 328 E HA 0.630 4.982 4.350 0.005 0.000 0.275 328 E C -1.189 175.488 176.600 0.128 0.000 0.945 328 E CA -0.396 56.032 56.400 0.047 0.000 0.792 328 E CB 1.157 30.960 29.700 0.171 0.000 1.125 328 E HN 0.661 nan 8.360 nan 0.000 0.397 329 I N 3.158 123.825 120.570 0.162 0.000 2.509 329 I HA 0.250 4.422 4.170 0.005 0.000 0.293 329 I C -0.782 175.493 176.117 0.263 0.000 1.020 329 I CA -0.883 60.564 61.300 0.245 0.000 1.088 329 I CB 1.983 40.126 38.000 0.238 0.000 1.267 329 I HN 0.389 nan 8.210 nan 0.000 0.430 330 Q N 4.306 124.283 119.800 0.294 0.000 2.365 330 Q HA 0.384 4.726 4.340 0.005 0.000 0.269 330 Q C -0.725 175.403 176.000 0.213 0.000 1.061 330 Q CA -0.812 55.128 55.803 0.229 0.000 0.816 330 Q CB 2.442 31.282 28.738 0.170 0.000 1.325 330 Q HN 0.340 nan 8.270 nan 0.000 0.446 331 K N 2.094 122.519 120.400 0.042 0.000 2.284 331 K HA 0.091 4.414 4.320 0.005 0.000 0.287 331 K C 0.174 176.583 176.600 -0.318 0.000 1.081 331 K CA -0.081 55.947 56.287 -0.432 0.000 0.910 331 K CB 0.641 32.878 32.500 -0.439 0.000 1.088 331 K HN 0.543 nan 8.250 nan 0.000 0.478 332 Q N 2.346 121.927 119.800 -0.366 0.000 2.089 332 Q HA 0.140 4.483 4.340 0.005 0.000 0.195 332 Q C 0.498 176.363 176.000 -0.226 0.000 0.963 332 Q CA 1.225 56.907 55.803 -0.202 0.000 0.834 332 Q CB 0.393 29.058 28.738 -0.122 0.000 0.906 332 Q HN 0.975 nan 8.270 nan 0.000 0.452 333 G N 0.044 108.647 108.800 -0.329 0.000 2.402 333 G HA2 0.036 3.999 3.960 0.005 0.000 0.666 333 G HA3 0.036 3.999 3.960 0.005 0.000 0.666 333 G C -1.309 173.485 174.900 -0.177 0.000 1.402 333 G CA -0.520 44.440 45.100 -0.235 0.000 0.920 333 G HN 0.072 nan 8.290 nan 0.000 0.651 334 Q N -1.473 118.254 119.800 -0.120 0.000 2.460 334 Q HA 0.012 4.355 4.340 0.005 0.000 0.311 334 Q C 1.791 177.758 176.000 -0.054 0.000 1.396 334 Q CA 2.878 58.641 55.803 -0.066 0.000 0.838 334 Q CB -1.592 27.114 28.738 -0.052 0.000 1.140 334 Q HN 2.858 nan 8.270 nan 0.000 0.415 335 G N -1.288 107.483 108.800 -0.048 0.000 2.175 335 G HA2 -0.373 3.590 3.960 0.005 0.000 0.265 335 G HA3 -0.373 3.590 3.960 0.005 0.000 0.265 335 G C 0.041 174.964 174.900 0.037 0.000 0.979 335 G CA 0.710 45.844 45.100 0.058 0.000 0.663 335 G HN 0.385 nan 8.290 nan 0.000 0.533 336 Q N -1.159 118.534 119.800 -0.180 0.000 2.245 336 Q HA 0.691 5.033 4.340 0.005 0.000 0.256 336 Q C -0.670 175.106 176.000 -0.374 0.000 0.942 336 Q CA -0.259 55.474 55.803 -0.116 0.000 0.896 336 Q CB 0.904 29.601 28.738 -0.068 0.000 1.272 336 Q HN 0.417 nan 8.270 nan 0.000 0.442 337 W N 0.748 122.158 121.300 0.183 0.000 2.957 337 W HA 0.528 5.191 4.660 0.004 0.000 0.336 337 W C -0.569 176.101 176.519 0.251 0.000 1.087 337 W CA -0.775 56.702 57.345 0.221 0.000 1.235 337 W CB 1.398 31.028 29.460 0.282 0.000 1.399 337 W HN 0.546 nan 8.180 nan 0.000 0.480 338 T N -0.243 114.547 114.554 0.394 0.000 2.940 338 T HA 0.854 5.206 4.350 0.005 0.000 0.288 338 T C -1.105 173.792 174.700 0.329 0.000 1.033 338 T CA -0.652 61.621 62.100 0.288 0.000 1.033 338 T CB 1.896 70.857 68.868 0.155 0.000 1.079 338 T HN 0.500 nan 8.240 nan 0.000 0.496 339 Y N -1.029 119.298 120.300 0.044 0.000 2.638 339 Y HA 0.789 5.342 4.550 0.004 0.000 0.335 339 Y C -1.656 174.184 175.900 -0.100 0.000 1.155 339 Y CA -1.462 56.631 58.100 -0.012 0.000 1.046 339 Y CB 1.318 39.789 38.460 0.019 0.000 1.303 339 Y HN 0.654 nan 8.280 nan 0.000 0.460 340 Q N 2.075 121.858 119.800 -0.028 0.000 2.315 340 Q HA 0.690 5.033 4.340 0.005 0.000 0.273 340 Q C -1.575 174.471 176.000 0.076 0.000 1.053 340 Q CA -0.544 55.222 55.803 -0.063 0.000 0.817 340 Q CB 3.294 31.981 28.738 -0.085 0.000 1.326 340 Q HN 0.753 nan 8.270 nan 0.000 0.423 341 I N 3.278 123.884 120.570 0.060 0.000 2.433 341 I HA 0.657 4.830 4.170 0.005 0.000 0.292 341 I C -1.035 175.057 176.117 -0.042 0.000 1.001 341 I CA -1.024 60.211 61.300 -0.109 0.000 1.119 341 I CB 0.850 38.794 38.000 -0.092 0.000 1.289 341 I HN 0.686 nan 8.210 nan 0.000 0.438 342 Y N 2.809 122.995 120.300 -0.189 0.000 2.750 342 Y HA 0.417 4.970 4.550 0.004 0.000 0.335 342 Y C -0.441 175.351 175.900 -0.180 0.000 1.252 342 Y CA -0.960 57.044 58.100 -0.160 0.000 1.064 342 Y CB 0.963 39.360 38.460 -0.105 0.000 1.321 342 Y HN 0.441 nan 8.280 nan 0.000 0.451 343 Q N -0.070 119.791 119.800 0.102 0.000 2.322 343 Q HA 0.323 4.666 4.340 0.005 0.000 0.250 343 Q C -0.854 175.227 176.000 0.134 0.000 0.853 343 Q CA 0.260 56.071 55.803 0.013 0.000 0.951 343 Q CB 1.573 30.293 28.738 -0.031 0.000 1.114 343 Q HN 0.733 nan 8.270 nan 0.000 0.523 344 E N 1.126 121.443 120.200 0.196 0.000 2.275 344 E HA 0.312 4.664 4.350 0.005 0.000 0.270 344 E C -2.734 173.789 176.600 -0.129 0.000 0.882 344 E CA -2.357 54.076 56.400 0.054 0.000 0.758 344 E CB 2.264 31.960 29.700 -0.007 0.000 1.195 344 E HN -0.147 nan 8.360 nan 0.000 0.419 345 P HA -0.090 nan 4.420 nan 0.000 0.263 345 P C -0.452 176.456 177.300 -0.654 0.000 1.175 345 P CA 0.946 63.523 63.100 -0.872 0.000 0.761 345 P CB 0.013 31.199 31.700 -0.856 0.000 0.794 346 F N -0.368 119.315 119.950 -0.446 0.000 2.619 346 F HA -0.266 4.264 4.527 0.004 0.000 0.425 346 F C 0.640 176.293 175.800 -0.246 0.000 0.575 346 F CA 0.536 58.342 58.000 -0.323 0.000 1.289 346 F CB -1.169 37.624 39.000 -0.345 0.000 1.859 346 F HN 0.346 nan 8.300 nan 0.000 0.280 347 K N 1.827 122.193 120.400 -0.056 0.000 2.533 347 K HA 0.253 4.576 4.320 0.005 0.000 0.207 347 K C -0.441 176.178 176.600 0.033 0.000 1.052 347 K CA -0.451 55.821 56.287 -0.025 0.000 1.030 347 K CB 0.402 32.889 32.500 -0.022 0.000 1.522 347 K HN 0.040 nan 8.250 nan 0.000 0.543 348 N N 2.279 121.014 118.700 0.059 0.000 2.497 348 N HA 0.064 4.807 4.740 0.005 0.000 0.268 348 N C 0.956 176.532 175.510 0.111 0.000 1.171 348 N CA 0.072 53.198 53.050 0.127 0.000 0.948 348 N CB 1.300 39.874 38.487 0.146 0.000 1.069 348 N HN 0.323 nan 8.380 nan 0.000 0.460 349 L N 0.912 122.206 121.223 0.120 0.000 2.307 349 L HA 0.151 4.493 4.340 0.005 0.000 0.211 349 L C 1.013 178.021 176.870 0.229 0.000 1.099 349 L CA 0.802 55.738 54.840 0.161 0.000 0.816 349 L CB 0.083 42.201 42.059 0.098 0.000 0.952 349 L HN 0.494 nan 8.230 nan 0.000 0.455 350 K N -0.588 119.925 120.400 0.188 0.000 2.597 350 K HA 0.392 4.714 4.320 0.005 0.000 0.282 350 K C -1.330 175.297 176.600 0.045 0.000 0.975 350 K CA -0.329 56.060 56.287 0.170 0.000 0.867 350 K CB 2.146 34.816 32.500 0.284 0.000 1.465 350 K HN -0.046 nan 8.250 nan 0.000 0.417 351 T N -1.321 113.196 114.554 -0.062 0.000 2.787 351 T HA 0.903 5.255 4.350 0.005 0.000 0.297 351 T C -0.197 174.208 174.700 -0.493 0.000 1.221 351 T CA -0.237 61.674 62.100 -0.315 0.000 1.006 351 T CB 1.940 70.725 68.868 -0.138 0.000 1.328 351 T HN 0.882 nan 8.240 nan 0.000 0.509 352 G N 0.107 108.449 108.800 -0.762 0.000 2.320 352 G HA2 0.538 4.500 3.960 0.005 0.000 0.296 352 G HA3 0.538 4.500 3.960 0.005 0.000 0.296 352 G C -2.170 172.585 174.900 -0.241 0.000 1.306 352 G CA -1.007 43.807 45.100 -0.477 0.000 0.836 352 G HN 0.814 nan 8.290 nan 0.000 0.517 353 K N -1.255 119.214 120.400 0.114 0.000 2.352 353 K HA 0.722 5.045 4.320 0.005 0.000 0.240 353 K C -1.883 174.987 176.600 0.449 0.000 1.017 353 K CA -0.961 55.482 56.287 0.260 0.000 0.851 353 K CB 2.764 35.359 32.500 0.158 0.000 1.261 353 K HN 0.614 nan 8.250 nan 0.000 0.451 354 Y N 0.003 120.479 120.300 0.293 0.000 2.358 354 Y HA 0.484 5.036 4.550 0.004 0.000 0.324 354 Y C -1.945 174.122 175.900 0.278 0.000 1.123 354 Y CA -0.658 57.594 58.100 0.253 0.000 1.067 354 Y CB 1.411 40.004 38.460 0.223 0.000 1.230 354 Y HN 0.680 nan 8.280 nan 0.000 0.429 355 A N 6.737 129.355 122.820 -0.335 0.000 2.305 355 A HA 0.654 4.977 4.320 0.005 0.000 0.322 355 A C -0.428 176.851 177.584 -0.509 0.000 1.187 355 A CA -0.882 51.015 52.037 -0.232 0.000 0.825 355 A CB 0.502 19.432 19.000 -0.117 0.000 1.164 355 A HN 0.936 nan 8.150 nan 0.000 0.498 356 R N 1.866 122.272 120.500 -0.156 0.000 2.678 356 R HA 0.146 4.489 4.340 0.005 0.000 0.264 356 R C -0.249 175.965 176.300 -0.144 0.000 0.995 356 R CA 0.081 56.130 56.100 -0.085 0.000 1.098 356 R CB -0.017 30.342 30.300 0.099 0.000 0.949 356 R HN 0.504 nan 8.270 nan 0.000 0.422 357 M N 2.061 121.610 119.600 -0.086 0.000 2.240 357 M HA 0.126 4.609 4.480 0.005 0.000 0.333 357 M C 0.496 176.761 176.300 -0.058 0.000 1.110 357 M CA -0.055 55.211 55.300 -0.057 0.000 1.173 357 M CB 0.868 33.463 32.600 -0.007 0.000 1.458 357 M HN 0.623 nan 8.290 nan 0.000 0.458 358 R N 1.365 121.846 120.500 -0.031 0.000 2.585 358 R HA 0.254 4.597 4.340 0.005 0.000 0.275 358 R C 0.811 177.043 176.300 -0.114 0.000 1.018 358 R CA 1.397 57.493 56.100 -0.007 0.000 1.072 358 R CB -0.190 30.131 30.300 0.034 0.000 0.953 358 R HN 0.948 nan 8.270 nan 0.000 0.419 359 G N 2.286 110.873 108.800 -0.354 0.000 2.279 359 G HA2 -0.336 3.627 3.960 0.005 0.000 0.223 359 G HA3 -0.336 3.627 3.960 0.005 0.000 0.223 359 G C 0.567 174.880 174.900 -0.979 0.000 1.015 359 G CA 0.173 44.762 45.100 -0.852 0.000 0.621 359 G HN 0.804 nan 8.290 nan 0.000 0.506 360 A N 0.824 123.352 122.820 -0.488 0.000 2.261 360 A HA 0.465 4.788 4.320 0.005 0.000 0.208 360 A C 1.392 178.879 177.584 -0.161 0.000 1.223 360 A CA 1.338 53.217 52.037 -0.263 0.000 0.833 360 A CB -0.969 17.959 19.000 -0.119 0.000 0.830 360 A HN 0.855 nan 8.150 nan 0.000 0.483 361 H N 0.562 119.638 119.070 0.009 0.000 2.322 361 H HA -0.245 4.314 4.556 0.004 0.000 0.282 361 H C 1.762 177.097 175.328 0.011 0.000 1.130 361 H CA 2.285 58.339 56.048 0.010 0.000 1.160 361 H CB -0.422 29.341 29.762 0.003 0.000 1.352 361 H HN 0.609 nan 8.280 nan 0.000 0.469 362 T N -3.077 111.549 114.554 0.120 0.000 3.252 362 T HA 0.151 4.504 4.350 0.005 0.000 0.286 362 T C 0.108 174.811 174.700 0.005 0.000 1.013 362 T CA -0.556 61.580 62.100 0.060 0.000 0.914 362 T CB 0.100 69.002 68.868 0.056 0.000 1.131 362 T HN 0.180 nan 8.240 nan 0.000 0.529 363 N N 1.286 119.972 118.700 -0.023 0.000 2.569 363 N HA 0.254 4.997 4.740 0.005 0.000 0.254 363 N C -0.230 175.259 175.510 -0.035 0.000 1.004 363 N CA -0.285 52.712 53.050 -0.087 0.000 0.904 363 N CB 1.730 40.096 38.487 -0.201 0.000 1.165 363 N HN -0.034 nan 8.380 nan 0.000 0.513 364 D N 2.054 122.487 120.400 0.055 0.000 2.123 364 D HA -0.114 4.529 4.640 0.005 0.000 0.196 364 D C 1.782 178.156 176.300 0.125 0.000 0.992 364 D CA 1.145 55.278 54.000 0.222 0.000 0.833 364 D CB 0.474 41.431 40.800 0.263 0.000 0.954 364 D HN 0.343 nan 8.370 nan 0.000 0.455 365 V N 1.005 120.927 119.914 0.014 0.000 2.343 365 V HA -0.183 3.940 4.120 0.005 0.000 0.247 365 V C 2.471 178.442 176.094 -0.206 0.000 1.051 365 V CA 1.230 63.533 62.300 0.005 0.000 1.036 365 V CB -0.397 31.457 31.823 0.051 0.000 0.654 365 V HN 0.156 nan 8.190 nan 0.000 0.451 366 K N 0.225 120.315 120.400 -0.517 0.000 2.009 366 K HA -0.228 4.095 4.320 0.005 0.000 0.210 366 K C 2.249 178.673 176.600 -0.293 0.000 1.049 366 K CA 1.939 57.791 56.287 -0.725 0.000 0.929 366 K CB -0.299 31.751 32.500 -0.751 0.000 0.714 366 K HN 0.576 nan 8.250 nan 0.000 0.440 367 Q N 0.612 120.305 119.800 -0.179 0.000 1.985 367 Q HA -0.168 4.175 4.340 0.005 0.000 0.207 367 Q C 2.273 178.032 176.000 -0.402 0.000 0.996 367 Q CA 1.698 57.425 55.803 -0.127 0.000 0.851 367 Q CB -0.300 28.490 28.738 0.088 0.000 0.921 367 Q HN 0.294 nan 8.270 nan 0.000 0.418 368 L N 0.530 121.381 121.223 -0.620 0.000 2.051 368 L HA -0.274 4.069 4.340 0.005 0.000 0.214 368 L C 2.148 178.868 176.870 -0.250 0.000 1.076 368 L CA 1.663 56.091 54.840 -0.687 0.000 0.758 368 L CB -0.534 41.292 42.059 -0.389 0.000 0.890 368 L HN 0.425 nan 8.230 nan 0.000 0.433 369 T N -0.611 113.945 114.554 0.003 0.000 2.708 369 T HA -0.197 4.156 4.350 0.005 0.000 0.266 369 T C 1.601 176.299 174.700 -0.004 0.000 1.037 369 T CA 1.620 63.846 62.100 0.209 0.000 1.146 369 T CB -0.160 68.854 68.868 0.243 0.000 0.865 369 T HN 0.481 nan 8.240 nan 0.000 0.435 370 E N 1.355 121.480 120.200 -0.125 0.000 2.051 370 E HA -0.093 4.260 4.350 0.005 0.000 0.192 370 E C 2.632 178.991 176.600 -0.403 0.000 0.991 370 E CA 1.030 57.326 56.400 -0.174 0.000 0.799 370 E CB -0.304 29.378 29.700 -0.031 0.000 0.748 370 E HN 0.470 nan 8.360 nan 0.000 0.449 371 A N 1.254 123.645 122.820 -0.714 0.000 1.917 371 A HA -0.197 4.125 4.320 0.005 0.000 0.219 371 A C 2.570 179.831 177.584 -0.537 0.000 1.182 371 A CA 1.620 53.045 52.037 -1.020 0.000 0.633 371 A CB -0.869 17.520 19.000 -1.018 0.000 0.819 371 A HN 0.134 nan 8.150 nan 0.000 0.448 372 V N -0.163 119.541 119.914 -0.350 0.000 2.343 372 V HA -0.328 3.794 4.120 0.005 0.000 0.247 372 V C 2.649 178.676 176.094 -0.111 0.000 1.051 372 V CA 2.286 64.401 62.300 -0.310 0.000 1.036 372 V CB -0.994 30.625 31.823 -0.340 0.000 0.654 372 V HN 0.656 nan 8.190 nan 0.000 0.451 373 Q N -0.270 119.472 119.800 -0.096 0.000 2.050 373 Q HA -0.221 4.122 4.340 0.005 0.000 0.202 373 Q C 2.489 178.516 176.000 0.045 0.000 0.980 373 Q CA 1.452 57.265 55.803 0.018 0.000 0.840 373 Q CB -0.319 28.257 28.738 -0.270 0.000 0.898 373 Q HN 0.425 nan 8.270 nan 0.000 0.424 374 K N 1.319 121.640 120.400 -0.133 0.000 2.009 374 K HA -0.175 4.148 4.320 0.005 0.000 0.210 374 K C 1.955 178.417 176.600 -0.230 0.000 1.049 374 K CA 1.395 57.577 56.287 -0.174 0.000 0.929 374 K CB -0.358 31.988 32.500 -0.256 0.000 0.714 374 K HN 0.217 nan 8.250 nan 0.000 0.440 375 I N 0.791 121.189 120.570 -0.287 0.000 2.163 375 I HA -0.284 3.888 4.170 0.005 0.000 0.243 375 I C 2.235 178.290 176.117 -0.104 0.000 1.085 375 I CA 1.613 62.739 61.300 -0.290 0.000 1.347 375 I CB -0.499 37.334 38.000 -0.279 0.000 1.044 375 I HN 0.207 nan 8.210 nan 0.000 0.408 376 T N -0.058 114.525 114.554 0.049 0.000 2.684 376 T HA -0.181 4.172 4.350 0.005 0.000 0.267 376 T C 1.900 176.472 174.700 -0.214 0.000 1.036 376 T CA 2.059 64.124 62.100 -0.059 0.000 1.148 376 T CB -0.471 68.289 68.868 -0.180 0.000 0.863 376 T HN 0.376 nan 8.240 nan 0.000 0.436 377 T N 2.325 116.833 114.554 -0.075 0.000 2.684 377 T HA -0.142 4.210 4.350 0.005 0.000 0.267 377 T C 1.948 176.589 174.700 -0.098 0.000 1.036 377 T CA 1.442 63.550 62.100 0.013 0.000 1.148 377 T CB -0.371 68.599 68.868 0.170 0.000 0.863 377 T HN 0.578 nan 8.240 nan 0.000 0.436 378 E N 1.182 121.253 120.200 -0.214 0.000 2.085 378 E HA -0.122 4.231 4.350 0.005 0.000 0.194 378 E C 2.594 179.112 176.600 -0.137 0.000 0.994 378 E CA 1.473 57.704 56.400 -0.282 0.000 0.801 378 E CB -0.265 29.078 29.700 -0.596 0.000 0.743 378 E HN 0.417 nan 8.360 nan 0.000 0.453 379 S N 1.103 116.747 115.700 -0.093 0.000 2.383 379 S HA -0.173 4.300 4.470 0.005 0.000 0.229 379 S C 2.076 176.588 174.600 -0.148 0.000 1.030 379 S CA 0.999 59.228 58.200 0.048 0.000 1.002 379 S CB -0.268 62.909 63.200 -0.038 0.000 0.829 379 S HN 0.208 nan 8.310 nan 0.000 0.467 380 I N 1.062 121.438 120.570 -0.323 0.000 2.163 380 I HA -0.135 4.038 4.170 0.005 0.000 0.240 380 I C 2.274 178.122 176.117 -0.448 0.000 1.081 380 I CA 0.883 61.880 61.300 -0.504 0.000 1.353 380 I CB -0.577 37.075 38.000 -0.579 0.000 1.054 380 I HN 0.146 nan 8.210 nan 0.000 0.407 381 V N 1.418 121.124 119.914 -0.347 0.000 2.255 381 V HA -0.283 3.839 4.120 0.005 0.000 0.247 381 V C 2.388 178.343 176.094 -0.231 0.000 1.051 381 V CA 1.703 63.857 62.300 -0.243 0.000 1.018 381 V CB -0.538 31.277 31.823 -0.013 0.000 0.641 381 V HN 0.278 nan 8.190 nan 0.000 0.445 382 I N -1.443 118.903 120.570 -0.372 0.000 2.163 382 I HA -0.181 3.992 4.170 0.005 0.000 0.240 382 I C 2.149 177.766 176.117 -0.833 0.000 1.081 382 I CA 1.879 62.725 61.300 -0.756 0.000 1.353 382 I CB -1.147 35.904 38.000 -1.582 0.000 1.054 382 I HN 0.455 nan 8.210 nan 0.000 0.407 383 W N 0.098 121.124 121.300 -0.458 0.000 2.868 383 W HA 0.404 5.067 4.660 0.004 0.000 0.320 383 W C 1.160 177.124 176.519 -0.926 0.000 1.076 383 W CA 0.527 57.471 57.345 -0.669 0.000 1.576 383 W CB -0.267 28.758 29.460 -0.724 0.000 1.030 383 W HN 0.360 nan 8.180 nan 0.000 0.558 384 G N 2.780 111.116 108.800 -0.774 0.000 2.298 384 G HA2 -0.305 3.657 3.960 0.005 0.000 0.287 384 G HA3 -0.305 3.657 3.960 0.005 0.000 0.287 384 G C -0.152 174.549 174.900 -0.333 0.000 1.075 384 G CA 0.846 45.595 45.100 -0.585 0.000 0.960 384 G HN 0.220 nan 8.290 nan 0.000 0.502 385 K N -0.013 120.162 120.400 -0.374 0.000 2.570 385 K HA 0.498 4.821 4.320 0.005 0.000 0.256 385 K C 0.282 176.717 176.600 -0.275 0.000 0.939 385 K CA -0.190 55.964 56.287 -0.222 0.000 0.833 385 K CB 1.095 33.553 32.500 -0.071 0.000 1.318 385 K HN 0.332 nan 8.250 nan 0.000 0.433 386 T N 1.773 116.194 114.554 -0.223 0.000 2.869 386 T HA 0.429 4.782 4.350 0.005 0.000 0.295 386 T C -2.039 172.576 174.700 -0.141 0.000 0.987 386 T CA -1.261 60.720 62.100 -0.198 0.000 1.109 386 T CB 0.924 69.725 68.868 -0.112 0.000 0.932 386 T HN 0.319 nan 8.240 nan 0.000 0.518 387 P HA 0.305 nan 4.420 nan 0.000 0.278 387 P C -0.726 176.435 177.300 -0.231 0.000 1.258 387 P CA -0.812 62.097 63.100 -0.319 0.000 0.811 387 P CB 0.813 32.181 31.700 -0.553 0.000 1.063 388 K N 1.978 122.209 120.400 -0.283 0.000 2.248 388 K HA 0.306 4.629 4.320 0.005 0.000 0.281 388 K C -0.873 175.595 176.600 -0.220 0.000 1.054 388 K CA -0.575 55.622 56.287 -0.151 0.000 0.903 388 K CB -0.319 32.081 32.500 -0.166 0.000 1.077 388 K HN 0.308 nan 8.250 nan 0.000 0.474 389 F N 2.528 122.406 119.950 -0.121 0.000 2.385 389 F HA 0.321 4.851 4.527 0.005 0.000 0.336 389 F C 0.873 176.561 175.800 -0.186 0.000 1.100 389 F CA -0.331 57.585 58.000 -0.141 0.000 1.116 389 F CB 1.078 40.007 39.000 -0.117 0.000 1.166 389 F HN 0.197 nan 8.300 nan 0.000 0.511 390 K N 4.204 124.599 120.400 -0.010 0.000 2.404 390 K HA 0.478 4.801 4.320 0.005 0.000 0.257 390 K C -1.228 175.351 176.600 -0.036 0.000 1.026 390 K CA -0.278 55.975 56.287 -0.057 0.000 0.951 390 K CB 0.879 33.362 32.500 -0.027 0.000 1.203 390 K HN 0.493 nan 8.250 nan 0.000 0.446 391 L N 5.066 126.199 121.223 -0.150 0.000 2.295 391 L HA 0.377 4.720 4.340 0.005 0.000 0.285 391 L C -1.747 175.130 176.870 0.011 0.000 1.035 391 L CA -2.024 52.728 54.840 -0.148 0.000 0.806 391 L CB 1.274 43.040 42.059 -0.488 0.000 1.214 391 L HN 0.399 nan 8.230 nan 0.000 0.426 392 P HA 0.180 nan 4.420 nan 0.000 0.225 392 P C -0.550 176.851 177.300 0.168 0.000 1.768 392 P CA 0.435 63.625 63.100 0.150 0.000 0.943 392 P CB 0.302 32.124 31.700 0.204 0.000 1.936 393 I N -1.080 119.584 120.570 0.156 0.000 2.913 393 I HA 0.256 4.429 4.170 0.005 0.000 0.302 393 I C -0.876 175.301 176.117 0.100 0.000 1.246 393 I CA -1.210 60.185 61.300 0.158 0.000 1.010 393 I CB 3.173 41.281 38.000 0.179 0.000 1.259 393 I HN -0.171 nan 8.210 nan 0.000 0.434 394 Q N 5.500 125.314 119.800 0.023 0.000 2.296 394 Q HA 0.092 4.435 4.340 0.005 0.000 0.262 394 Q C 0.856 176.620 176.000 -0.392 0.000 0.981 394 Q CA 0.133 55.868 55.803 -0.114 0.000 0.905 394 Q CB 1.397 30.117 28.738 -0.030 0.000 1.186 394 Q HN 0.654 nan 8.270 nan 0.000 0.399 395 K N 3.201 123.109 120.400 -0.821 0.000 2.049 395 K HA -0.329 3.994 4.320 0.005 0.000 0.219 395 K C 1.117 177.408 176.600 -0.515 0.000 1.056 395 K CA 2.456 57.986 56.287 -1.260 0.000 0.946 395 K CB 0.157 32.183 32.500 -0.790 0.000 0.723 395 K HN 0.607 nan 8.250 nan 0.000 0.453 396 E N -0.130 119.898 120.200 -0.286 0.000 2.086 396 E HA -0.176 4.177 4.350 0.005 0.000 0.200 396 E C 2.014 178.513 176.600 -0.169 0.000 1.012 396 E CA 2.160 58.450 56.400 -0.184 0.000 0.812 396 E CB -0.604 29.020 29.700 -0.126 0.000 0.743 396 E HN 0.441 nan 8.360 nan 0.000 0.453 397 T N 0.205 114.717 114.554 -0.070 0.000 2.708 397 T HA -0.169 4.184 4.350 0.005 0.000 0.266 397 T C 1.394 176.201 174.700 0.177 0.000 1.037 397 T CA 1.181 63.345 62.100 0.107 0.000 1.146 397 T CB -0.427 68.589 68.868 0.247 0.000 0.865 397 T HN 0.397 nan 8.240 nan 0.000 0.435 398 W N 2.288 123.526 121.300 -0.103 0.000 2.379 398 W HA -0.112 4.550 4.660 0.004 0.000 0.307 398 W C 1.887 178.415 176.519 0.015 0.000 1.200 398 W CA 1.278 58.585 57.345 -0.063 0.000 1.297 398 W CB -0.140 29.201 29.460 -0.198 0.000 1.140 398 W HN 0.398 nan 8.180 nan 0.000 0.507 399 E N -0.337 119.852 120.200 -0.017 0.000 2.153 399 E HA -0.189 4.164 4.350 0.005 0.000 0.194 399 E C 1.962 178.397 176.600 -0.274 0.000 0.988 399 E CA 1.927 58.274 56.400 -0.089 0.000 0.811 399 E CB -0.501 29.136 29.700 -0.106 0.000 0.746 399 E HN 0.190 nan 8.360 nan 0.000 0.466 400 T N -0.117 114.212 114.554 -0.376 0.000 2.821 400 T HA -0.115 4.237 4.350 0.005 0.000 0.267 400 T C 0.977 175.262 174.700 -0.691 0.000 1.046 400 T CA 0.938 62.628 62.100 -0.684 0.000 1.139 400 T CB -0.022 68.113 68.868 -1.223 0.000 0.871 400 T HN 0.354 nan 8.240 nan 0.000 0.454 401 W N -0.035 121.154 121.300 -0.185 0.000 2.725 401 W HA 0.283 4.945 4.660 0.003 0.000 0.336 401 W C 1.761 178.118 176.519 -0.270 0.000 1.012 401 W CA -1.069 56.165 57.345 -0.184 0.000 1.566 401 W CB -0.529 28.945 29.460 0.023 0.000 1.068 401 W HN 0.398 nan 8.180 nan 0.000 0.546 402 W N 1.967 122.983 121.300 -0.473 0.000 2.342 402 W HA -0.207 4.456 4.660 0.004 0.000 0.297 402 W C 1.545 177.893 176.519 -0.285 0.000 1.213 402 W CA 2.258 59.188 57.345 -0.690 0.000 1.251 402 W CB -1.787 26.589 29.460 -1.807 0.000 1.136 402 W HN -0.133 nan 8.180 nan 0.000 0.526 403 T N -1.053 112.696 114.554 -1.341 0.000 3.051 403 T HA -0.164 4.189 4.350 0.005 0.000 0.269 403 T C 1.406 175.924 174.700 -0.303 0.000 1.127 403 T CA 1.572 63.052 62.100 -1.034 0.000 1.107 403 T CB -0.370 67.736 68.868 -1.271 0.000 0.898 403 T HN 0.099 nan 8.240 nan 0.000 0.517 404 E N 0.684 120.658 120.200 -0.376 0.000 2.358 404 E HA 0.035 4.388 4.350 0.005 0.000 0.195 404 E C 0.184 176.384 176.600 -0.667 0.000 1.010 404 E CA 0.647 56.740 56.400 -0.512 0.000 0.856 404 E CB -0.164 29.097 29.700 -0.732 0.000 0.795 404 E HN 0.873 nan 8.360 nan 0.000 0.504 405 Y N -2.267 118.074 120.300 0.068 0.000 2.717 405 Y HA 0.230 4.782 4.550 0.004 0.000 0.250 405 Y C -0.021 175.972 175.900 0.155 0.000 1.149 405 Y CA -0.955 57.190 58.100 0.075 0.000 1.211 405 Y CB -0.153 38.333 38.460 0.044 0.000 1.289 405 Y HN 0.010 nan 8.280 nan 0.000 0.552 406 W N 3.649 125.019 121.300 0.117 0.000 2.266 406 W HA 0.227 4.889 4.660 0.004 0.000 0.317 406 W C -0.109 176.465 176.519 0.092 0.000 1.310 406 W CA 0.431 57.885 57.345 0.182 0.000 1.207 406 W CB 1.060 30.705 29.460 0.309 0.000 1.199 406 W HN 0.259 nan 8.180 nan 0.000 0.544 407 Q N 3.404 122.960 119.800 -0.406 0.000 2.103 407 Q HA 0.238 4.581 4.340 0.005 0.000 0.219 407 Q C 0.136 175.859 176.000 -0.461 0.000 0.784 407 Q CA -0.242 55.377 55.803 -0.307 0.000 1.014 407 Q CB 1.425 30.040 28.738 -0.205 0.000 1.183 407 Q HN 0.363 nan 8.270 nan 0.000 0.469 408 A N 0.372 122.675 122.820 -0.861 0.000 2.281 408 A HA 0.451 4.774 4.320 0.005 0.000 0.329 408 A C 1.057 178.410 177.584 -0.386 0.000 1.122 408 A CA -0.246 51.266 52.037 -0.876 0.000 0.850 408 A CB 0.694 18.556 19.000 -1.897 0.000 1.207 408 A HN 0.196 nan 8.150 nan 0.000 0.495 409 T N -2.050 112.238 114.554 -0.443 0.000 3.067 409 T HA 0.081 4.434 4.350 0.005 0.000 0.257 409 T C 0.587 175.372 174.700 0.142 0.000 1.105 409 T CA 0.291 62.347 62.100 -0.073 0.000 1.104 409 T CB -0.343 68.508 68.868 -0.028 0.000 0.925 409 T HN 0.671 nan 8.240 nan 0.000 0.498 410 W N 0.764 122.335 121.300 0.453 0.000 2.481 410 W HA 0.753 5.416 4.660 0.004 0.000 0.369 410 W C -0.968 175.927 176.519 0.626 0.000 1.235 410 W CA -1.711 55.905 57.345 0.452 0.000 1.344 410 W CB 0.588 30.297 29.460 0.416 0.000 1.360 410 W HN -0.094 nan 8.180 nan 0.000 0.658 411 I N 2.715 123.803 120.570 0.864 0.000 2.529 411 I HA 0.178 4.350 4.170 0.005 0.000 0.284 411 I C -2.070 174.225 176.117 0.296 0.000 1.088 411 I CA -2.182 59.447 61.300 0.548 0.000 1.062 411 I CB 2.056 40.170 38.000 0.191 0.000 1.218 411 I HN -0.027 nan 8.210 nan 0.000 0.442 412 P HA 0.190 nan 4.420 nan 0.000 0.273 412 P C -0.583 176.587 177.300 -0.216 0.000 1.250 412 P CA -0.224 62.966 63.100 0.150 0.000 0.793 412 P CB 1.169 33.078 31.700 0.348 0.000 1.011 413 E N -0.171 119.942 120.200 -0.144 0.000 2.318 413 E HA 0.506 4.859 4.350 0.005 0.000 0.265 413 E C -1.048 175.436 176.600 -0.193 0.000 1.069 413 E CA 0.048 56.238 56.400 -0.350 0.000 0.893 413 E CB 0.419 30.010 29.700 -0.181 0.000 1.076 413 E HN 0.454 nan 8.360 nan 0.000 0.414 414 W N 1.119 122.304 121.300 -0.192 0.000 3.153 414 W HA 0.479 5.142 4.660 0.006 0.000 0.316 414 W C -1.650 174.541 176.519 -0.545 0.000 1.255 414 W CA -0.905 56.227 57.345 -0.355 0.000 1.192 414 W CB -0.094 29.040 29.460 -0.544 0.000 1.400 414 W HN 0.566 nan 8.180 nan 0.000 0.568 415 E N 0.813 120.817 120.200 -0.326 0.000 2.408 415 E HA 0.748 5.101 4.350 0.005 0.000 0.275 415 E C -1.850 174.306 176.600 -0.739 0.000 0.935 415 E CA -1.050 55.058 56.400 -0.487 0.000 0.775 415 E CB 2.436 32.035 29.700 -0.169 0.000 1.277 415 E HN 0.287 nan 8.360 nan 0.000 0.455 416 F N 0.905 120.845 119.950 -0.017 0.000 2.443 416 F HA 0.557 5.088 4.527 0.006 0.000 0.335 416 F C 0.257 176.052 175.800 -0.009 0.000 1.104 416 F CA -0.761 57.206 58.000 -0.055 0.000 1.013 416 F CB 1.944 40.907 39.000 -0.062 0.000 1.136 416 F HN 0.461 nan 8.300 nan 0.000 0.470 417 V N -0.522 119.475 119.914 0.139 0.000 3.167 417 V HA 0.626 4.749 4.120 0.005 0.000 0.310 417 V C -1.237 174.920 176.094 0.103 0.000 1.207 417 V CA -1.103 61.259 62.300 0.103 0.000 1.059 417 V CB 2.354 34.219 31.823 0.069 0.000 1.079 417 V HN 0.664 nan 8.190 nan 0.000 0.446 418 N N 1.164 119.917 118.700 0.087 0.000 2.546 418 N HA 0.317 5.060 4.740 0.005 0.000 0.238 418 N C -0.300 175.257 175.510 0.079 0.000 0.984 418 N CA -0.267 52.831 53.050 0.080 0.000 0.935 418 N CB 1.294 39.822 38.487 0.068 0.000 1.122 418 N HN 0.858 nan 8.380 nan 0.000 0.510 419 T N 3.488 118.093 114.554 0.084 0.000 2.738 419 T HA 0.047 4.400 4.350 0.005 0.000 0.277 419 T C -2.041 172.701 174.700 0.070 0.000 0.981 419 T CA -0.225 61.927 62.100 0.087 0.000 1.211 419 T CB -0.183 68.737 68.868 0.088 0.000 0.932 419 T HN 0.217 nan 8.240 nan 0.000 0.522 420 P HA 0.151 nan 4.420 nan 0.000 0.267 420 P C -1.787 175.523 177.300 0.017 0.000 1.205 420 P CA -1.366 61.770 63.100 0.061 0.000 0.765 420 P CB 0.387 32.148 31.700 0.102 0.000 0.828 421 P HA -0.193 nan 4.420 nan 0.000 0.216 421 P C 1.426 178.657 177.300 -0.116 0.000 1.157 421 P CA 1.248 64.325 63.100 -0.039 0.000 0.880 421 P CB -0.107 31.577 31.700 -0.026 0.000 0.791 422 L N -1.082 120.022 121.223 -0.198 0.000 2.131 422 L HA -0.110 4.232 4.340 0.005 0.000 0.210 422 L C 2.356 178.782 176.870 -0.739 0.000 1.092 422 L CA 1.625 56.175 54.840 -0.482 0.000 0.759 422 L CB -1.660 39.990 42.059 -0.682 0.000 0.903 422 L HN -0.089 nan 8.230 nan 0.000 0.435 423 V N 0.802 120.449 119.914 -0.446 0.000 2.332 423 V HA -0.292 3.830 4.120 0.005 0.000 0.248 423 V C 2.437 178.533 176.094 0.004 0.000 1.055 423 V CA 2.123 64.289 62.300 -0.224 0.000 1.038 423 V CB -0.761 31.172 31.823 0.184 0.000 0.651 423 V HN 0.587 nan 8.190 nan 0.000 0.450 424 K N -0.417 119.990 120.400 0.012 0.000 2.365 424 K HA 0.007 4.330 4.320 0.005 0.000 0.197 424 K C 1.885 178.481 176.600 -0.006 0.000 1.042 424 K CA 0.746 57.078 56.287 0.075 0.000 0.987 424 K CB -0.193 32.336 32.500 0.048 0.000 0.779 424 K HN 0.236 nan 8.250 nan 0.000 0.484 425 L N 0.809 121.975 121.223 -0.096 0.000 2.156 425 L HA 0.004 4.347 4.340 0.005 0.000 0.208 425 L C 2.129 178.937 176.870 -0.104 0.000 1.095 425 L CA 1.284 56.066 54.840 -0.097 0.000 0.770 425 L CB -0.991 41.000 42.059 -0.114 0.000 0.914 425 L HN 0.468 nan 8.230 nan 0.000 0.439 426 W N -0.742 120.332 121.300 -0.376 0.000 2.413 426 W HA -0.258 4.404 4.660 0.004 0.000 0.315 426 W C 2.225 178.583 176.519 -0.270 0.000 1.186 426 W CA 1.246 58.353 57.345 -0.396 0.000 1.326 426 W CB -0.453 28.567 29.460 -0.733 0.000 1.153 426 W HN 0.145 nan 8.180 nan 0.000 0.489 427 Y N 1.463 121.743 120.300 -0.032 0.000 2.421 427 Y HA -0.201 4.351 4.550 0.004 0.000 0.292 427 Y C 2.264 178.091 175.900 -0.121 0.000 1.136 427 Y CA 1.754 59.815 58.100 -0.065 0.000 1.255 427 Y CB -1.426 37.100 38.460 0.110 0.000 0.991 427 Y HN 0.076 nan 8.280 nan 0.000 0.552 428 N N 0.327 119.023 118.700 -0.006 0.000 2.364 428 N HA -0.129 4.614 4.740 0.005 0.000 0.183 428 N C 1.100 176.547 175.510 -0.105 0.000 1.022 428 N CA 0.800 53.829 53.050 -0.036 0.000 0.883 428 N CB -0.273 38.184 38.487 -0.050 0.000 0.965 428 N HN 0.187 nan 8.380 nan 0.000 0.438 429 L N 0.969 122.054 121.223 -0.230 0.000 2.599 429 L HA 0.191 4.533 4.340 0.005 0.000 0.230 429 L C 0.558 177.283 176.870 -0.242 0.000 1.141 429 L CA 0.377 55.041 54.840 -0.293 0.000 0.877 429 L CB -0.885 40.859 42.059 -0.524 0.000 1.009 429 L HN 0.197 nan 8.230 nan 0.000 0.447 430 E N 0.991 121.101 120.200 -0.150 0.000 2.414 430 E HA -0.047 4.306 4.350 0.005 0.000 0.263 430 E C 0.386 176.958 176.600 -0.046 0.000 1.000 430 E CA -0.034 56.324 56.400 -0.070 0.000 0.914 430 E CB 0.565 30.273 29.700 0.015 0.000 0.948 430 E HN 0.053 nan 8.360 nan 0.000 0.444 431 K N 3.010 123.391 120.400 -0.031 0.000 2.414 431 K HA 0.000 4.323 4.320 0.005 0.000 0.272 431 K C -0.510 176.092 176.600 0.004 0.000 0.993 431 K CA 0.436 56.713 56.287 -0.016 0.000 0.964 431 K CB 0.531 33.027 32.500 -0.007 0.000 0.925 431 K HN 0.452 nan 8.250 nan 0.000 0.487 432 E N 2.926 123.128 120.200 0.002 0.000 2.359 432 E HA 0.352 4.705 4.350 0.005 0.000 0.266 432 E C -2.381 174.227 176.600 0.013 0.000 0.920 432 E CA -2.202 54.205 56.400 0.013 0.000 0.788 432 E CB 1.299 31.004 29.700 0.008 0.000 1.279 432 E HN 0.587 nan 8.360 nan 0.000 0.438 433 P HA -0.007 nan 4.420 nan 0.000 0.267 433 P C 0.918 178.224 177.300 0.009 0.000 1.200 433 P CA 0.184 63.295 63.100 0.017 0.000 0.772 433 P CB 0.670 32.384 31.700 0.022 0.000 0.855 434 I N 0.629 121.204 120.570 0.007 0.000 2.361 434 I HA -0.193 3.980 4.170 0.005 0.000 0.251 434 I C 1.336 177.454 176.117 0.002 0.000 1.133 434 I CA 1.659 62.961 61.300 0.003 0.000 1.413 434 I CB -0.580 37.422 38.000 0.003 0.000 1.073 434 I HN 0.200 nan 8.210 nan 0.000 0.424 435 V N -2.012 117.905 119.914 0.005 0.000 3.177 435 V HA 0.760 4.883 4.120 0.005 0.000 0.220 435 V C 0.848 176.947 176.094 0.008 0.000 1.395 435 V CA 0.248 62.551 62.300 0.005 0.000 1.317 435 V CB -0.200 31.626 31.823 0.004 0.000 1.148 435 V HN 0.538 nan 8.190 nan 0.000 0.499 436 G N 0.000 108.807 108.800 0.012 0.000 5.446 436 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 436 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 436 G CA 0.000 45.110 45.100 0.017 0.000 0.502 436 G HN 0.000 nan 8.290 nan 0.000 0.925