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 1og2_1_B DATA FIRST_RESID 30 DATA SEQUENCE PPGPTPLPVI GNILQIGIKD ISKSLTNLSK VYGPVFTLYF GLKPIVVLHG DATA SEQUENCE YEAVKEALID LGEEFSGRGI FPLAERANRG FGIVFSNGKK WKEIRRFSLM DATA SEQUENCE TLRNFGMGKR SIEDRVQEEA RCLVEELRKT KASPCDPTFI LGCAPCNVIC DATA SEQUENCE SIIFHKRFDY KDQQFLNLME KLNENIEILS SPWIQVYNNF PALLDYFPGT DATA SEQUENCE HNKLLKNVAF MKSYILEKVK EHQESMDMNN PQDFIDCFLM KMEKEKHNQP DATA SEQUENCE SEFTIESLEN TAVDLFGAGT ETTSTTLRYA LLLLLKHPEV TAKVQEEIER DATA SEQUENCE VIGRNRSPCM QDRSHMPYTD AVVHEVQRYI DLLPTSLPHA VTCDIKFRNY DATA SEQUENCE LIPKGTTILI SLTSVLHDNK EFPNPEMFDP HHFLDEGGNF KKSKYFMPFS DATA SEQUENCE AGKRICVGEA LAGMELFLFL TSILQNFNLK SLVDPKNLDT TPVVNGFASV DATA SEQUENCE PPFYQLCFIP VH 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 30 P HA 0.000 nan 4.420 nan 0.000 0.216 30 P C 0.000 177.215 177.300 -0.142 0.000 1.155 30 P CA 0.000 62.922 63.100 -0.297 0.000 0.800 30 P CB 0.000 31.473 31.700 -0.378 0.000 0.726 31 P HA 0.571 nan 4.420 nan 0.000 0.293 31 P C -0.197 177.033 177.300 -0.116 0.000 1.298 31 P CA 0.210 63.310 63.100 -0.000 0.000 0.757 31 P CB 0.390 32.182 31.700 0.153 0.000 1.262 32 G N -1.864 106.720 108.800 -0.360 0.000 2.353 32 G HA2 0.294 4.254 3.960 0.001 0.000 0.308 32 G HA3 0.294 4.254 3.960 0.001 0.000 0.308 32 G C -3.391 171.049 174.900 -0.767 0.000 1.418 32 G CA -0.908 43.675 45.100 -0.862 0.000 0.966 32 G HN 0.405 nan 8.290 nan 0.000 0.638 33 P HA 0.400 nan 4.420 nan 0.000 0.272 33 P C 0.115 177.376 177.300 -0.065 0.000 1.230 33 P CA -0.009 62.960 63.100 -0.218 0.000 0.788 33 P CB 0.634 32.264 31.700 -0.118 0.000 0.949 34 T N 3.965 118.513 114.554 -0.010 0.000 2.779 34 T HA 0.274 4.625 4.350 0.001 0.000 0.296 34 T C -2.101 172.567 174.700 -0.053 0.000 0.938 34 T CA -0.816 61.271 62.100 -0.023 0.000 1.119 34 T CB -0.289 68.576 68.868 -0.005 0.000 0.891 34 T HN 0.345 nan 8.240 nan 0.000 0.526 35 P HA 0.271 nan 4.420 nan 0.000 0.282 35 P C -0.118 177.097 177.300 -0.143 0.000 1.262 35 P CA -0.476 62.519 63.100 -0.176 0.000 0.773 35 P CB 0.647 32.041 31.700 -0.510 0.000 0.879 36 L N 5.751 126.929 121.223 -0.075 0.000 2.482 36 L HA 0.038 4.378 4.340 0.001 0.000 0.273 36 L C -0.665 176.171 176.870 -0.058 0.000 1.228 36 L CA -1.380 53.429 54.840 -0.051 0.000 0.827 36 L CB -0.425 41.623 42.059 -0.019 0.000 1.099 36 L HN 0.268 nan 8.230 nan 0.000 0.494 37 P HA -0.242 nan 4.420 nan 0.000 0.216 37 P C 1.233 178.513 177.300 -0.032 0.000 1.167 37 P CA 1.274 64.346 63.100 -0.046 0.000 0.933 37 P CB 0.252 31.930 31.700 -0.037 0.000 0.793 38 V N -1.511 118.395 119.914 -0.013 0.000 3.371 38 V HA 0.091 4.212 4.120 0.001 0.000 0.246 38 V C 1.889 178.052 176.094 0.114 0.000 1.303 38 V CA 0.087 62.394 62.300 0.012 0.000 1.156 38 V CB -0.431 31.356 31.823 -0.060 0.000 0.929 38 V HN -0.016 nan 8.190 nan 0.000 0.459 39 I N -0.796 119.847 120.570 0.122 0.000 3.176 39 I HA 0.387 4.558 4.170 0.001 0.000 0.275 39 I C 1.534 177.775 176.117 0.206 0.000 1.298 39 I CA 0.958 62.434 61.300 0.293 0.000 1.445 39 I CB -1.230 36.891 38.000 0.202 0.000 1.075 39 I HN 0.339 nan 8.210 nan 0.000 0.482 40 G N 2.877 111.741 108.800 0.106 0.000 2.611 40 G HA2 -0.369 3.591 3.960 0.001 0.000 0.301 40 G HA3 -0.369 3.591 3.960 0.001 0.000 0.301 40 G C 0.469 175.384 174.900 0.024 0.000 1.233 40 G CA 0.645 45.780 45.100 0.058 0.000 0.993 40 G HN 0.478 nan 8.290 nan 0.000 0.553 41 N N 0.562 119.265 118.700 0.005 0.000 2.230 41 N HA 0.172 4.912 4.740 0.001 0.000 0.202 41 N C 2.058 177.524 175.510 -0.073 0.000 1.119 41 N CA 0.408 53.432 53.050 -0.043 0.000 0.851 41 N CB 0.316 38.761 38.487 -0.070 0.000 0.990 41 N HN 0.520 nan 8.380 nan 0.000 0.497 42 I N 0.563 121.100 120.570 -0.056 0.000 2.462 42 I HA -0.297 3.873 4.170 0.001 0.000 0.259 42 I C 1.536 177.646 176.117 -0.012 0.000 1.156 42 I CA 0.829 62.105 61.300 -0.041 0.000 1.417 42 I CB 0.277 38.273 38.000 -0.007 0.000 1.088 42 I HN 0.035 nan 8.210 nan 0.000 0.442 43 L N 0.389 121.612 121.223 0.000 0.000 2.109 43 L HA -0.206 4.134 4.340 0.001 0.000 0.207 43 L C 2.607 179.475 176.870 -0.003 0.000 1.086 43 L CA 1.733 56.576 54.840 0.005 0.000 0.760 43 L CB -0.999 41.066 42.059 0.009 0.000 0.910 43 L HN 0.439 nan 8.230 nan 0.000 0.437 44 Q N -0.302 119.490 119.800 -0.013 0.000 2.107 44 Q HA -0.072 4.269 4.340 0.001 0.000 0.195 44 Q C 2.213 178.204 176.000 -0.015 0.000 0.964 44 Q CA 1.572 57.367 55.803 -0.013 0.000 0.833 44 Q CB -0.725 28.005 28.738 -0.013 0.000 0.910 44 Q HN 0.607 nan 8.270 nan 0.000 0.465 45 I N -0.920 119.631 120.570 -0.032 0.000 2.315 45 I HA 0.090 4.260 4.170 0.001 0.000 0.248 45 I C 1.380 177.501 176.117 0.007 0.000 1.117 45 I CA 1.356 62.648 61.300 -0.014 0.000 1.404 45 I CB -0.816 37.155 38.000 -0.050 0.000 1.071 45 I HN 0.334 nan 8.210 nan 0.000 0.419 46 G N 1.677 110.474 108.800 -0.006 0.000 2.512 46 G HA2 -0.340 3.620 3.960 0.001 0.000 0.254 46 G HA3 -0.340 3.620 3.960 0.001 0.000 0.254 46 G C 0.276 175.178 174.900 0.003 0.000 1.199 46 G CA 0.319 45.419 45.100 0.001 0.000 0.941 46 G HN 0.637 nan 8.290 nan 0.000 0.569 47 I N -0.642 119.928 120.570 -0.001 0.000 5.362 47 I HA 0.135 4.306 4.170 0.001 0.000 0.359 47 I C 1.987 178.085 176.117 -0.031 0.000 1.172 47 I CA 1.175 62.459 61.300 -0.028 0.000 1.577 47 I CB -0.323 37.651 38.000 -0.042 0.000 1.845 47 I HN 0.799 nan 8.210 nan 0.000 0.632 48 K N 0.388 120.783 120.400 -0.009 0.000 2.011 48 K HA -0.065 4.255 4.320 0.001 0.000 0.216 48 K C 0.403 177.012 176.600 0.014 0.000 1.026 48 K CA 0.907 57.193 56.287 -0.002 0.000 0.987 48 K CB -0.669 31.833 32.500 0.005 0.000 0.907 48 K HN 0.003 nan 8.250 nan 0.000 0.448 49 D N 1.267 121.684 120.400 0.029 0.000 2.563 49 D HA 0.087 4.727 4.640 0.001 0.000 0.222 49 D C 0.979 177.321 176.300 0.070 0.000 1.145 49 D CA -0.457 53.572 54.000 0.047 0.000 1.001 49 D CB 0.076 40.898 40.800 0.037 0.000 1.049 49 D HN 0.473 nan 8.370 nan 0.000 0.515 50 I N -0.162 120.469 120.570 0.101 0.000 2.423 50 I HA -0.223 3.947 4.170 0.001 0.000 0.254 50 I C 1.740 177.949 176.117 0.154 0.000 1.151 50 I CA 1.135 62.523 61.300 0.147 0.000 1.421 50 I CB -0.398 37.747 38.000 0.243 0.000 1.079 50 I HN 0.084 nan 8.210 nan 0.000 0.431 51 S N 1.012 116.797 115.700 0.142 0.000 2.382 51 S HA -0.196 4.275 4.470 0.001 0.000 0.228 51 S C 1.976 176.635 174.600 0.098 0.000 1.027 51 S CA 1.451 59.725 58.200 0.124 0.000 0.991 51 S CB -0.540 62.717 63.200 0.095 0.000 0.823 51 S HN 0.461 nan 8.310 nan 0.000 0.469 52 K N 2.140 122.580 120.400 0.067 0.000 2.097 52 K HA -0.019 4.301 4.320 0.001 0.000 0.205 52 K C 2.361 178.989 176.600 0.047 0.000 1.050 52 K CA 1.439 57.753 56.287 0.045 0.000 0.938 52 K CB -0.464 32.052 32.500 0.028 0.000 0.718 52 K HN 0.557 nan 8.250 nan 0.000 0.442 53 S N -0.295 115.436 115.700 0.052 0.000 2.489 53 S HA -0.005 4.465 4.470 0.001 0.000 0.228 53 S C 1.837 176.463 174.600 0.044 0.000 0.995 53 S CA 0.430 58.652 58.200 0.036 0.000 0.934 53 S CB -0.272 62.946 63.200 0.031 0.000 0.771 53 S HN 0.225 nan 8.310 nan 0.000 0.522 54 L N 1.021 122.306 121.223 0.103 0.000 2.131 54 L HA -0.019 4.322 4.340 0.001 0.000 0.206 54 L C 2.774 179.675 176.870 0.051 0.000 1.087 54 L CA 1.306 56.257 54.840 0.184 0.000 0.767 54 L CB -0.908 41.303 42.059 0.254 0.000 0.917 54 L HN 0.333 nan 8.230 nan 0.000 0.441 55 T N -0.600 113.958 114.554 0.007 0.000 2.867 55 T HA -0.096 4.254 4.350 0.001 0.000 0.268 55 T C 1.657 176.287 174.700 -0.116 0.000 1.057 55 T CA 0.967 62.994 62.100 -0.122 0.000 1.136 55 T CB -0.152 68.799 68.868 0.138 0.000 0.874 55 T HN 0.256 nan 8.240 nan 0.000 0.466 56 N N 1.375 120.040 118.700 -0.057 0.000 2.120 56 N HA 0.049 4.790 4.740 0.001 0.000 0.188 56 N C 1.731 177.164 175.510 -0.129 0.000 1.024 56 N CA 0.821 53.831 53.050 -0.067 0.000 0.852 56 N CB -0.487 37.977 38.487 -0.038 0.000 1.003 56 N HN 0.344 nan 8.380 nan 0.000 0.424 57 L N 0.698 121.808 121.223 -0.188 0.000 2.275 57 L HA -0.075 4.266 4.340 0.001 0.000 0.215 57 L C 2.244 178.829 176.870 -0.476 0.000 1.119 57 L CA 0.862 55.487 54.840 -0.359 0.000 0.790 57 L CB -0.412 41.288 42.059 -0.599 0.000 0.919 57 L HN 0.232 nan 8.230 nan 0.000 0.443 58 S N -0.793 114.727 115.700 -0.299 0.000 2.406 58 S HA -0.139 4.331 4.470 0.001 0.000 0.228 58 S C 1.961 176.540 174.600 -0.035 0.000 1.020 58 S CA 0.512 58.678 58.200 -0.056 0.000 0.965 58 S CB -0.123 62.964 63.200 -0.188 0.000 0.798 58 S HN 0.144 nan 8.310 nan 0.000 0.488 59 K N 1.137 121.487 120.400 -0.083 0.000 2.280 59 K HA 0.103 4.423 4.320 0.001 0.000 0.202 59 K C 1.946 178.484 176.600 -0.103 0.000 1.047 59 K CA 1.084 57.340 56.287 -0.052 0.000 0.942 59 K CB -0.445 32.025 32.500 -0.050 0.000 0.739 59 K HN 0.521 nan 8.250 nan 0.000 0.457 60 V N -2.287 117.508 119.914 -0.198 0.000 3.455 60 V HA 0.102 4.222 4.120 0.001 0.000 0.250 60 V C 0.653 176.479 176.094 -0.448 0.000 1.230 60 V CA 0.295 62.379 62.300 -0.360 0.000 1.105 60 V CB -0.048 31.463 31.823 -0.520 0.000 0.850 60 V HN 0.186 nan 8.190 nan 0.000 0.461 61 Y N 1.928 122.142 120.300 -0.143 0.000 2.467 61 Y HA 0.713 5.264 4.550 0.001 0.000 0.250 61 Y C 1.364 177.316 175.900 0.085 0.000 1.155 61 Y CA 0.264 58.327 58.100 -0.061 0.000 1.249 61 Y CB 0.575 38.941 38.460 -0.157 0.000 1.146 61 Y HN 0.571 nan 8.280 nan 0.000 0.524 62 G N 1.332 110.257 108.800 0.207 0.000 2.627 62 G HA2 -0.205 3.755 3.960 0.001 0.000 0.214 62 G HA3 -0.205 3.755 3.960 0.001 0.000 0.214 62 G C -2.166 172.946 174.900 0.354 0.000 1.331 62 G CA -0.348 44.900 45.100 0.246 0.000 0.891 62 G HN 0.007 nan 8.290 nan 0.000 0.539 63 P HA 0.302 nan 4.420 nan 0.000 0.251 63 P C 0.208 177.632 177.300 0.206 0.000 1.223 63 P CA 0.697 63.971 63.100 0.290 0.000 0.796 63 P CB 0.517 32.347 31.700 0.216 0.000 1.068 64 V N 1.965 121.996 119.914 0.195 0.000 2.443 64 V HA 0.326 4.446 4.120 0.001 0.000 0.272 64 V C -0.560 175.520 176.094 -0.024 0.000 1.002 64 V CA -0.628 61.701 62.300 0.048 0.000 0.840 64 V CB 0.391 32.315 31.823 0.169 0.000 1.042 64 V HN -0.012 nan 8.190 nan 0.000 0.446 65 F N 0.709 120.626 119.950 -0.056 0.000 2.577 65 F HA 0.878 5.405 4.527 0.001 0.000 0.318 65 F C 0.129 175.840 175.800 -0.148 0.000 1.065 65 F CA -0.829 57.093 58.000 -0.131 0.000 0.929 65 F CB 1.381 40.327 39.000 -0.091 0.000 1.237 65 F HN 0.124 nan 8.300 nan 0.000 0.468 66 T N 3.385 117.960 114.554 0.035 0.000 2.909 66 T HA 0.619 4.969 4.350 0.001 0.000 0.289 66 T C -0.985 173.689 174.700 -0.045 0.000 1.005 66 T CA -0.214 61.843 62.100 -0.070 0.000 1.084 66 T CB 1.339 70.141 68.868 -0.109 0.000 0.975 66 T HN 0.551 nan 8.240 nan 0.000 0.509 67 L N 1.824 122.946 121.223 -0.169 0.000 2.409 67 L HA 0.570 4.910 4.340 0.001 0.000 0.255 67 L C -1.843 174.792 176.870 -0.392 0.000 1.027 67 L CA -0.801 53.943 54.840 -0.161 0.000 0.834 67 L CB 2.006 44.027 42.059 -0.064 0.000 1.426 67 L HN 0.658 nan 8.230 nan 0.000 0.411 68 Y N 1.796 121.992 120.300 -0.174 0.000 2.332 68 Y HA 0.476 5.026 4.550 0.001 0.000 0.326 68 Y C -0.936 174.805 175.900 -0.266 0.000 0.978 68 Y CA -0.219 57.813 58.100 -0.112 0.000 1.205 68 Y CB 1.367 39.796 38.460 -0.051 0.000 1.131 68 Y HN 0.270 nan 8.280 nan 0.000 0.462 69 F N 3.122 123.180 119.950 0.180 0.000 2.351 69 F HA 0.454 4.981 4.527 0.001 0.000 0.362 69 F C 1.178 177.074 175.800 0.160 0.000 1.131 69 F CA 0.016 58.087 58.000 0.118 0.000 1.187 69 F CB 0.465 39.529 39.000 0.106 0.000 1.434 69 F HN 0.823 nan 8.300 nan 0.000 0.553 70 G N 2.766 111.725 108.800 0.265 0.000 2.677 70 G HA2 -0.349 3.612 3.960 0.001 0.000 0.321 70 G HA3 -0.349 3.612 3.960 0.001 0.000 0.321 70 G C 0.904 175.982 174.900 0.296 0.000 1.181 70 G CA 0.636 45.916 45.100 0.301 0.000 0.965 70 G HN 0.506 nan 8.290 nan 0.000 0.548 71 L N 0.832 122.229 121.223 0.291 0.000 2.616 71 L HA 0.340 4.681 4.340 0.001 0.000 0.229 71 L C 1.251 178.327 176.870 0.344 0.000 1.110 71 L CA 0.130 55.138 54.840 0.280 0.000 0.884 71 L CB 0.249 42.418 42.059 0.182 0.000 1.115 71 L HN 0.286 nan 8.230 nan 0.000 0.481 72 K N 3.031 123.622 120.400 0.319 0.000 2.349 72 K HA 0.179 4.499 4.320 0.001 0.000 0.289 72 K C -2.318 174.348 176.600 0.110 0.000 1.064 72 K CA -1.753 54.673 56.287 0.233 0.000 0.947 72 K CB 0.863 33.527 32.500 0.273 0.000 1.007 72 K HN -0.184 nan 8.250 nan 0.000 0.478 73 P HA 0.182 nan 4.420 nan 0.000 0.287 73 P C -0.964 176.217 177.300 -0.198 0.000 1.281 73 P CA -0.394 62.446 63.100 -0.433 0.000 0.781 73 P CB 0.876 32.401 31.700 -0.292 0.000 0.903 74 I N 4.393 124.847 120.570 -0.192 0.000 2.439 74 I HA 0.137 4.307 4.170 0.001 0.000 0.285 74 I C -0.220 175.842 176.117 -0.090 0.000 1.021 74 I CA -0.786 60.496 61.300 -0.029 0.000 1.091 74 I CB 2.022 40.159 38.000 0.228 0.000 1.242 74 I HN 0.060 nan 8.210 nan 0.000 0.439 75 V N 7.433 127.287 119.914 -0.099 0.000 2.455 75 V HA 0.263 4.383 4.120 0.001 0.000 0.273 75 V C 0.244 176.232 176.094 -0.176 0.000 1.045 75 V CA -0.444 61.775 62.300 -0.135 0.000 0.976 75 V CB 1.058 32.825 31.823 -0.093 0.000 0.993 75 V HN 0.375 nan 8.190 nan 0.000 0.475 76 V N 6.899 126.602 119.914 -0.352 0.000 2.644 76 V HA 0.462 4.582 4.120 0.001 0.000 0.295 76 V C 0.031 175.847 176.094 -0.462 0.000 1.053 76 V CA -0.556 61.467 62.300 -0.463 0.000 0.987 76 V CB 1.678 33.011 31.823 -0.818 0.000 1.006 76 V HN 0.611 nan 8.190 nan 0.000 0.472 77 L N 3.740 124.802 121.223 -0.267 0.000 2.356 77 L HA 0.528 4.868 4.340 0.001 0.000 0.277 77 L C 0.617 177.473 176.870 -0.024 0.000 0.996 77 L CA -0.519 54.234 54.840 -0.145 0.000 0.822 77 L CB 1.654 43.607 42.059 -0.176 0.000 1.256 77 L HN 0.765 nan 8.230 nan 0.000 0.413 78 H N 2.164 121.209 119.070 -0.041 0.000 2.521 78 H HA 0.164 4.721 4.556 0.001 0.000 0.267 78 H C 0.850 176.233 175.328 0.091 0.000 0.963 78 H CA 0.488 56.567 56.048 0.051 0.000 1.175 78 H CB 1.397 31.252 29.762 0.154 0.000 1.450 78 H HN 0.741 nan 8.280 nan 0.000 0.472 79 G N 0.079 108.931 108.800 0.086 0.000 2.559 79 G HA2 -0.164 3.797 3.960 0.001 0.000 0.235 79 G HA3 -0.164 3.797 3.960 0.001 0.000 0.235 79 G C 0.514 175.424 174.900 0.017 0.000 1.266 79 G CA 0.194 45.330 45.100 0.060 0.000 0.847 79 G HN 0.539 nan 8.290 nan 0.000 0.583 80 Y N 0.251 120.548 120.300 -0.004 0.000 2.165 80 Y HA -0.194 4.357 4.550 0.001 0.000 0.286 80 Y C 2.592 178.439 175.900 -0.088 0.000 1.155 80 Y CA 2.551 60.602 58.100 -0.081 0.000 1.164 80 Y CB 0.165 38.516 38.460 -0.182 0.000 0.978 80 Y HN 0.526 nan 8.280 nan 0.000 0.513 81 E N 0.468 120.639 120.200 -0.049 0.000 2.077 81 E HA -0.202 4.149 4.350 0.001 0.000 0.193 81 E C 2.408 178.908 176.600 -0.167 0.000 0.989 81 E CA 1.220 57.550 56.400 -0.116 0.000 0.800 81 E CB -0.691 29.043 29.700 0.056 0.000 0.746 81 E HN 0.615 nan 8.360 nan 0.000 0.452 82 A N 0.804 123.579 122.820 -0.075 0.000 1.929 82 A HA -0.082 4.238 4.320 0.001 0.000 0.216 82 A C 2.596 180.121 177.584 -0.098 0.000 1.176 82 A CA 1.109 53.157 52.037 0.018 0.000 0.628 82 A CB -0.474 18.587 19.000 0.101 0.000 0.816 82 A HN 0.127 nan 8.150 nan 0.000 0.444 83 V N 0.707 120.483 119.914 -0.230 0.000 2.358 83 V HA -0.243 3.878 4.120 0.001 0.000 0.246 83 V C 2.591 178.445 176.094 -0.399 0.000 1.047 83 V CA 2.439 64.545 62.300 -0.323 0.000 1.035 83 V CB -0.640 31.019 31.823 -0.272 0.000 0.658 83 V HN 0.759 nan 8.190 nan 0.000 0.452 84 K N 1.261 121.342 120.400 -0.532 0.000 2.026 84 K HA -0.223 4.097 4.320 0.001 0.000 0.208 84 K C 2.069 178.498 176.600 -0.284 0.000 1.048 84 K CA 2.237 58.217 56.287 -0.512 0.000 0.929 84 K CB -0.504 31.474 32.500 -0.869 0.000 0.713 84 K HN 0.481 nan 8.250 nan 0.000 0.439 85 E N -0.632 119.447 120.200 -0.203 0.000 2.110 85 E HA -0.171 4.180 4.350 0.001 0.000 0.193 85 E C 1.663 178.238 176.600 -0.041 0.000 0.988 85 E CA 1.149 57.522 56.400 -0.046 0.000 0.804 85 E CB -0.163 29.567 29.700 0.049 0.000 0.745 85 E HN 0.485 nan 8.360 nan 0.000 0.458 86 A N 0.221 122.874 122.820 -0.279 0.000 1.878 86 A HA -0.047 4.273 4.320 0.001 0.000 0.213 86 A C 1.927 179.134 177.584 -0.628 0.000 1.192 86 A CA 0.586 52.108 52.037 -0.860 0.000 0.619 86 A CB -0.234 17.721 19.000 -1.742 0.000 0.837 86 A HN 0.245 nan 8.150 nan 0.000 0.446 87 L N -0.809 120.131 121.223 -0.472 0.000 2.240 87 L HA 0.150 4.490 4.340 0.001 0.000 0.211 87 L C 1.970 178.765 176.870 -0.124 0.000 1.106 87 L CA 1.266 55.925 54.840 -0.302 0.000 0.793 87 L CB -0.586 41.292 42.059 -0.302 0.000 0.927 87 L HN 0.369 nan 8.230 nan 0.000 0.446 88 I N -1.568 118.934 120.570 -0.114 0.000 3.196 88 I HA -0.031 4.139 4.170 0.001 0.000 0.248 88 I C 1.817 177.932 176.117 -0.004 0.000 1.105 88 I CA 0.301 61.576 61.300 -0.042 0.000 1.482 88 I CB -0.106 37.865 38.000 -0.048 0.000 1.400 88 I HN -0.007 nan 8.210 nan 0.000 0.464 89 D N 0.915 121.310 120.400 -0.008 0.000 2.117 89 D HA -0.075 4.565 4.640 0.001 0.000 0.197 89 D C 1.157 177.504 176.300 0.080 0.000 0.987 89 D CA 1.297 55.318 54.000 0.034 0.000 0.829 89 D CB 0.015 40.837 40.800 0.037 0.000 0.961 89 D HN 0.048 nan 8.370 nan 0.000 0.460 90 L N 0.856 122.149 121.223 0.116 0.000 3.073 90 L HA 0.328 4.668 4.340 0.001 0.000 0.242 90 L C 1.824 178.831 176.870 0.229 0.000 1.317 90 L CA 0.040 55.008 54.840 0.214 0.000 1.081 90 L CB -0.056 42.246 42.059 0.405 0.000 1.456 90 L HN -0.063 nan 8.230 nan 0.000 0.525 91 G N -0.290 108.585 108.800 0.126 0.000 2.459 91 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 91 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 91 G C 1.355 176.340 174.900 0.142 0.000 1.183 91 G CA 0.258 45.425 45.100 0.112 0.000 0.776 91 G HN 0.328 nan 8.290 nan 0.000 0.552 92 E N 0.480 120.751 120.200 0.118 0.000 2.150 92 E HA -0.077 4.273 4.350 0.001 0.000 0.193 92 E C 2.538 179.174 176.600 0.061 0.000 0.985 92 E CA 0.854 57.319 56.400 0.107 0.000 0.814 92 E CB -0.023 29.728 29.700 0.086 0.000 0.752 92 E HN 0.463 nan 8.360 nan 0.000 0.466 93 E N -0.570 119.653 120.200 0.038 0.000 2.106 93 E HA -0.092 4.258 4.350 0.001 0.000 0.192 93 E C 1.034 177.472 176.600 -0.270 0.000 0.984 93 E CA 0.736 57.066 56.400 -0.117 0.000 0.806 93 E CB -0.149 29.465 29.700 -0.143 0.000 0.750 93 E HN 0.191 nan 8.360 nan 0.000 0.458 94 F N -0.025 119.870 119.950 -0.092 0.000 2.645 94 F HA 0.132 4.659 4.527 0.001 0.000 0.300 94 F C 1.484 177.254 175.800 -0.049 0.000 1.115 94 F CA -0.085 57.837 58.000 -0.129 0.000 1.355 94 F CB 0.284 39.142 39.000 -0.237 0.000 1.026 94 F HN -0.057 nan 8.300 nan 0.000 0.536 95 S N -1.043 114.708 115.700 0.085 0.000 2.603 95 S HA 0.182 4.653 4.470 0.001 0.000 0.220 95 S C 1.167 175.613 174.600 -0.257 0.000 0.967 95 S CA -0.049 58.163 58.200 0.020 0.000 0.920 95 S CB -0.554 62.722 63.200 0.126 0.000 0.773 95 S HN 0.183 nan 8.310 nan 0.000 0.529 96 G N 1.136 109.825 108.800 -0.185 0.000 2.539 96 G HA2 0.491 4.451 3.960 0.001 0.000 0.258 96 G HA3 0.491 4.451 3.960 0.001 0.000 0.258 96 G C -0.540 174.138 174.900 -0.370 0.000 1.202 96 G CA -0.868 44.049 45.100 -0.306 0.000 0.851 96 G HN 0.408 nan 8.290 nan 0.000 0.556 97 R N 0.299 120.529 120.500 -0.450 0.000 2.294 97 R HA 0.554 4.895 4.340 0.001 0.000 0.319 97 R C 0.369 176.481 176.300 -0.313 0.000 0.984 97 R CA -0.265 55.573 56.100 -0.436 0.000 0.861 97 R CB 0.931 30.953 30.300 -0.464 0.000 1.104 97 R HN 0.621 nan 8.270 nan 0.000 0.451 98 G N 4.814 113.441 108.800 -0.289 0.000 2.348 98 G HA2 0.501 4.462 3.960 0.001 0.000 0.312 98 G HA3 0.501 4.462 3.960 0.001 0.000 0.312 98 G C -0.619 174.120 174.900 -0.268 0.000 1.126 98 G CA -0.592 44.330 45.100 -0.296 0.000 0.865 98 G HN 0.559 nan 8.290 nan 0.000 0.474 99 I N 1.841 122.248 120.570 -0.271 0.000 2.389 99 I HA 0.341 4.512 4.170 0.001 0.000 0.288 99 I C -0.548 175.440 176.117 -0.215 0.000 0.999 99 I CA -0.630 60.573 61.300 -0.162 0.000 1.129 99 I CB 1.303 39.222 38.000 -0.135 0.000 1.288 99 I HN 0.279 nan 8.210 nan 0.000 0.444 100 F N 6.642 126.592 119.950 0.000 0.000 2.378 100 F HA 0.254 4.782 4.527 0.001 0.000 0.319 100 F C -1.011 174.774 175.800 -0.025 0.000 1.155 100 F CA -1.030 56.966 58.000 -0.008 0.000 1.157 100 F CB 0.368 39.380 39.000 0.019 0.000 1.252 100 F HN 0.323 nan 8.300 nan 0.000 0.550 101 P HA -0.233 nan 4.420 nan 0.000 0.216 101 P C 1.961 179.286 177.300 0.042 0.000 1.157 101 P CA 1.351 64.514 63.100 0.104 0.000 0.880 101 P CB 0.149 31.918 31.700 0.116 0.000 0.791 102 L N -0.678 120.560 121.223 0.024 0.000 1.994 102 L HA -0.157 4.183 4.340 0.001 0.000 0.208 102 L C 2.129 178.973 176.870 -0.043 0.000 1.071 102 L CA 2.395 57.199 54.840 -0.059 0.000 0.745 102 L CB -1.400 40.609 42.059 -0.082 0.000 0.892 102 L HN -0.046 nan 8.230 nan 0.000 0.431 103 A N -0.075 122.735 122.820 -0.017 0.000 1.917 103 A HA -0.318 4.003 4.320 0.001 0.000 0.219 103 A C 2.193 179.649 177.584 -0.213 0.000 1.182 103 A CA 2.097 54.051 52.037 -0.138 0.000 0.633 103 A CB -0.740 18.182 19.000 -0.130 0.000 0.819 103 A HN 0.659 nan 8.150 nan 0.000 0.448 104 E N -0.553 119.581 120.200 -0.110 0.000 2.153 104 E HA -0.186 4.164 4.350 0.001 0.000 0.194 104 E C 2.059 178.618 176.600 -0.068 0.000 0.988 104 E CA 1.019 57.381 56.400 -0.063 0.000 0.811 104 E CB -0.053 29.640 29.700 -0.011 0.000 0.746 104 E HN 0.581 nan 8.360 nan 0.000 0.466 105 R N -0.678 119.777 120.500 -0.076 0.000 2.254 105 R HA 0.142 4.482 4.340 0.001 0.000 0.195 105 R C 1.693 177.842 176.300 -0.253 0.000 0.957 105 R CA 0.671 56.696 56.100 -0.125 0.000 1.024 105 R CB 0.386 30.686 30.300 -0.001 0.000 0.952 105 R HN 0.083 nan 8.270 nan 0.000 0.484 106 A N 0.804 123.519 122.820 -0.175 0.000 2.275 106 A HA 0.109 4.429 4.320 0.001 0.000 0.212 106 A C 0.036 177.531 177.584 -0.149 0.000 1.201 106 A CA -0.000 51.941 52.037 -0.159 0.000 0.843 106 A CB -0.049 18.909 19.000 -0.070 0.000 0.873 106 A HN 0.211 nan 8.150 nan 0.000 0.492 107 N N -0.247 118.346 118.700 -0.178 0.000 2.372 107 N HA 0.535 5.276 4.740 0.001 0.000 0.285 107 N C -0.913 174.445 175.510 -0.254 0.000 1.008 107 N CA -0.523 52.421 53.050 -0.178 0.000 0.880 107 N CB 1.186 39.569 38.487 -0.172 0.000 1.239 107 N HN 0.039 nan 8.380 nan 0.000 0.484 108 R N 1.546 121.906 120.500 -0.233 0.000 2.288 108 R HA 0.573 4.914 4.340 0.001 0.000 0.326 108 R C -0.455 175.661 176.300 -0.307 0.000 0.959 108 R CA -0.173 55.763 56.100 -0.275 0.000 0.834 108 R CB 1.112 31.310 30.300 -0.171 0.000 1.157 108 R HN 0.770 nan 8.270 nan 0.000 0.470 109 G N 2.727 111.217 108.800 -0.517 0.000 2.862 109 G HA2 -0.195 3.765 3.960 0.001 0.000 0.686 109 G HA3 -0.195 3.765 3.960 0.001 0.000 0.686 109 G C -1.142 173.511 174.900 -0.411 0.000 1.134 109 G CA -0.877 43.966 45.100 -0.429 0.000 0.791 109 G HN 0.297 nan 8.290 nan 0.000 0.592 110 F N 1.653 121.647 119.950 0.074 0.000 2.480 110 F HA 0.744 5.271 4.527 0.001 0.000 0.329 110 F C 1.340 177.216 175.800 0.125 0.000 1.091 110 F CA 0.082 58.158 58.000 0.126 0.000 0.972 110 F CB 1.901 40.976 39.000 0.125 0.000 1.150 110 F HN 0.707 nan 8.300 nan 0.000 0.467 111 G N 1.388 110.399 108.800 0.351 0.000 2.598 111 G HA2 0.143 4.103 3.960 0.001 0.000 0.225 111 G HA3 0.143 4.103 3.960 0.001 0.000 0.225 111 G C 0.677 175.729 174.900 0.254 0.000 1.631 111 G CA 0.464 45.715 45.100 0.251 0.000 0.821 111 G HN 0.614 nan 8.290 nan 0.000 0.610 112 I N -0.974 119.735 120.570 0.231 0.000 4.046 112 I HA 0.196 4.366 4.170 0.001 0.000 0.285 112 I C 2.340 178.556 176.117 0.165 0.000 1.183 112 I CA 0.255 61.707 61.300 0.253 0.000 1.337 112 I CB 0.555 38.683 38.000 0.214 0.000 1.478 112 I HN 0.032 nan 8.210 nan 0.000 0.452 113 V N 1.014 120.931 119.914 0.005 0.000 2.407 113 V HA -0.222 3.899 4.120 0.001 0.000 0.248 113 V C 1.549 177.358 176.094 -0.475 0.000 1.055 113 V CA 2.138 64.255 62.300 -0.304 0.000 1.049 113 V CB -0.589 30.910 31.823 -0.539 0.000 0.662 113 V HN 0.392 nan 8.190 nan 0.000 0.455 114 F N -1.172 118.764 119.950 -0.022 0.000 2.661 114 F HA 0.310 4.837 4.527 0.001 0.000 0.306 114 F C 1.297 176.816 175.800 -0.468 0.000 1.094 114 F CA -0.182 57.688 58.000 -0.216 0.000 1.254 114 F CB 0.424 39.400 39.000 -0.040 0.000 1.040 114 F HN -0.060 nan 8.300 nan 0.000 0.562 115 S N 0.425 116.087 115.700 -0.064 0.000 2.645 115 S HA 0.333 4.803 4.470 0.001 0.000 0.266 115 S C -0.084 174.416 174.600 -0.166 0.000 1.258 115 S CA -0.284 57.895 58.200 -0.036 0.000 0.990 115 S CB 0.701 64.041 63.200 0.233 0.000 0.967 115 S HN 0.210 nan 8.310 nan 0.000 0.556 116 N N -0.930 117.737 118.700 -0.056 0.000 2.708 116 N HA 0.506 5.247 4.740 0.001 0.000 0.257 116 N C 0.124 175.699 175.510 0.108 0.000 1.373 116 N CA 0.301 53.302 53.050 -0.081 0.000 0.843 116 N CB 1.792 40.170 38.487 -0.181 0.000 1.503 116 N HN 0.825 nan 8.380 nan 0.000 0.504 117 G N 1.448 110.333 108.800 0.142 0.000 2.552 117 G HA2 -0.379 3.582 3.960 0.001 0.000 0.265 117 G HA3 -0.379 3.582 3.960 0.001 0.000 0.265 117 G C 0.781 175.805 174.900 0.207 0.000 1.234 117 G CA 1.124 46.320 45.100 0.160 0.000 0.944 117 G HN 0.666 nan 8.290 nan 0.000 0.568 118 K N 0.788 121.257 120.400 0.115 0.000 2.147 118 K HA -0.009 4.311 4.320 0.001 0.000 0.205 118 K C 2.194 178.826 176.600 0.054 0.000 1.049 118 K CA 2.197 58.528 56.287 0.072 0.000 0.936 118 K CB -0.337 32.189 32.500 0.043 0.000 0.722 118 K HN 0.674 nan 8.250 nan 0.000 0.446 119 K N -0.185 120.264 120.400 0.081 0.000 2.097 119 K HA -0.150 4.170 4.320 0.001 0.000 0.205 119 K C 1.904 178.562 176.600 0.097 0.000 1.050 119 K CA 1.077 57.395 56.287 0.052 0.000 0.938 119 K CB -0.304 32.246 32.500 0.083 0.000 0.718 119 K HN 0.372 nan 8.250 nan 0.000 0.442 120 W N 1.996 123.289 121.300 -0.012 0.000 2.413 120 W HA -0.090 4.571 4.660 0.001 0.000 0.315 120 W C 1.686 178.213 176.519 0.014 0.000 1.186 120 W CA 1.252 58.596 57.345 -0.001 0.000 1.326 120 W CB -0.177 29.272 29.460 -0.018 0.000 1.153 120 W HN -0.140 nan 8.180 nan 0.000 0.489 121 K N 0.624 120.874 120.400 -0.250 0.000 2.049 121 K HA -0.288 4.032 4.320 0.001 0.000 0.219 121 K C 1.824 178.248 176.600 -0.294 0.000 1.056 121 K CA 2.615 58.636 56.287 -0.443 0.000 0.946 121 K CB -0.826 31.589 32.500 -0.140 0.000 0.723 121 K HN 0.422 nan 8.250 nan 0.000 0.453 122 E N 0.007 120.129 120.200 -0.131 0.000 2.028 122 E HA -0.099 4.251 4.350 0.001 0.000 0.191 122 E C 2.225 178.837 176.600 0.019 0.000 0.988 122 E CA 0.918 57.302 56.400 -0.026 0.000 0.799 122 E CB -0.094 29.595 29.700 -0.018 0.000 0.755 122 E HN 0.258 nan 8.360 nan 0.000 0.447 123 I N 0.751 121.262 120.570 -0.098 0.000 2.394 123 I HA -0.220 3.950 4.170 0.001 0.000 0.251 123 I C 2.648 178.864 176.117 0.164 0.000 1.136 123 I CA 0.738 62.056 61.300 0.029 0.000 1.425 123 I CB -0.117 37.888 38.000 0.008 0.000 1.079 123 I HN 0.022 nan 8.210 nan 0.000 0.425 124 R N 1.023 121.489 120.500 -0.056 0.000 2.090 124 R HA -0.143 4.197 4.340 0.001 0.000 0.228 124 R C 2.460 178.734 176.300 -0.044 0.000 1.110 124 R CA 1.143 57.182 56.100 -0.101 0.000 0.973 124 R CB -0.106 29.918 30.300 -0.460 0.000 0.869 124 R HN 0.207 nan 8.270 nan 0.000 0.440 125 R N -0.356 120.109 120.500 -0.059 0.000 2.070 125 R HA -0.171 4.169 4.340 0.001 0.000 0.233 125 R C 2.150 178.483 176.300 0.054 0.000 1.137 125 R CA 1.889 57.975 56.100 -0.023 0.000 0.945 125 R CB -0.486 29.803 30.300 -0.017 0.000 0.845 125 R HN 0.263 nan 8.270 nan 0.000 0.430 126 F N 1.034 121.012 119.950 0.047 0.000 2.120 126 F HA -0.242 4.285 4.527 0.001 0.000 0.300 126 F C 2.190 178.031 175.800 0.069 0.000 1.095 126 F CA 1.999 60.030 58.000 0.052 0.000 1.249 126 F CB -0.177 38.928 39.000 0.175 0.000 0.995 126 F HN -0.002 nan 8.300 nan 0.000 0.480 127 S N 0.875 116.651 115.700 0.126 0.000 2.368 127 S HA -0.124 4.346 4.470 0.001 0.000 0.224 127 S C 2.050 176.652 174.600 0.003 0.000 1.029 127 S CA 1.320 59.626 58.200 0.176 0.000 0.988 127 S CB -0.540 62.871 63.200 0.353 0.000 0.838 127 S HN 0.381 nan 8.310 nan 0.000 0.462 128 L N 0.301 121.510 121.223 -0.023 0.000 2.083 128 L HA -0.152 4.189 4.340 0.001 0.000 0.209 128 L C 2.480 179.288 176.870 -0.103 0.000 1.083 128 L CA 0.981 55.789 54.840 -0.054 0.000 0.752 128 L CB -0.363 41.666 42.059 -0.050 0.000 0.899 128 L HN 0.321 nan 8.230 nan 0.000 0.433 129 M N -0.279 119.220 119.600 -0.168 0.000 2.067 129 M HA -0.201 4.279 4.480 0.001 0.000 0.260 129 M C 2.513 178.670 176.300 -0.237 0.000 1.069 129 M CA 2.566 57.741 55.300 -0.207 0.000 1.117 129 M CB -0.546 31.895 32.600 -0.265 0.000 1.334 129 M HN 0.397 nan 8.290 nan 0.000 0.407 130 T N -1.833 112.497 114.554 -0.374 0.000 2.881 130 T HA -0.107 4.243 4.350 0.001 0.000 0.270 130 T C 1.663 176.308 174.700 -0.093 0.000 1.068 130 T CA 1.098 63.040 62.100 -0.263 0.000 1.131 130 T CB -0.740 67.939 68.868 -0.315 0.000 0.871 130 T HN 0.430 nan 8.240 nan 0.000 0.479 131 L N 0.021 121.203 121.223 -0.068 0.000 2.599 131 L HA 0.227 4.568 4.340 0.001 0.000 0.230 131 L C 1.318 178.139 176.870 -0.082 0.000 1.141 131 L CA -0.157 54.650 54.840 -0.055 0.000 0.877 131 L CB -0.229 41.802 42.059 -0.046 0.000 1.009 131 L HN 0.155 nan 8.230 nan 0.000 0.447 132 R N 0.329 120.780 120.500 -0.081 0.000 2.694 132 R HA -0.050 4.291 4.340 0.001 0.000 0.268 132 R C 1.230 177.471 176.300 -0.098 0.000 1.061 132 R CA -0.028 56.031 56.100 -0.069 0.000 1.133 132 R CB 0.300 30.579 30.300 -0.035 0.000 1.020 132 R HN 0.138 nan 8.270 nan 0.000 0.475 133 N N 1.097 119.723 118.700 -0.122 0.000 2.060 133 N HA -0.191 4.550 4.740 0.001 0.000 0.195 133 N C 0.099 175.295 175.510 -0.524 0.000 1.028 133 N CA 1.369 54.227 53.050 -0.321 0.000 0.861 133 N CB 0.077 38.360 38.487 -0.339 0.000 1.029 133 N HN 0.395 nan 8.380 nan 0.000 0.428 134 F N -0.666 119.255 119.950 -0.048 0.000 2.750 134 F HA 0.360 4.888 4.527 0.001 0.000 0.297 134 F C 1.650 177.416 175.800 -0.056 0.000 1.138 134 F CA -0.542 57.431 58.000 -0.045 0.000 1.346 134 F CB 0.608 39.585 39.000 -0.039 0.000 0.965 134 F HN -0.040 nan 8.300 nan 0.000 0.514 135 G N 0.889 109.701 108.800 0.019 0.000 2.776 135 G HA2 0.033 3.993 3.960 0.001 0.000 0.209 135 G HA3 0.033 3.993 3.960 0.001 0.000 0.209 135 G C 0.648 175.519 174.900 -0.048 0.000 1.145 135 G CA 0.156 45.240 45.100 -0.027 0.000 0.791 135 G HN 0.348 nan 8.290 nan 0.000 0.530 136 M N -1.962 117.620 119.600 -0.031 0.000 2.356 136 M HA 0.522 5.003 4.480 0.001 0.000 0.215 136 M C 0.007 176.280 176.300 -0.045 0.000 0.978 136 M CA -0.015 55.258 55.300 -0.044 0.000 0.972 136 M CB 0.924 33.489 32.600 -0.058 0.000 2.529 136 M HN 0.786 nan 8.290 nan 0.000 0.447 137 G N 3.547 112.333 108.800 -0.023 0.000 2.693 137 G HA2 -0.204 3.756 3.960 0.001 0.000 0.226 137 G HA3 -0.204 3.756 3.960 0.001 0.000 0.226 137 G C -0.155 174.762 174.900 0.028 0.000 1.354 137 G CA -0.070 45.016 45.100 -0.023 0.000 0.873 137 G HN 0.887 nan 8.290 nan 0.000 0.562 138 K N -0.126 120.296 120.400 0.037 0.000 2.487 138 K HA 0.088 4.409 4.320 0.001 0.000 0.192 138 K C 1.291 177.953 176.600 0.103 0.000 1.027 138 K CA 0.280 56.616 56.287 0.081 0.000 1.054 138 K CB 0.532 33.071 32.500 0.065 0.000 0.824 138 K HN 0.407 nan 8.250 nan 0.000 0.510 139 R N 2.148 122.687 120.500 0.066 0.000 2.294 139 R HA 0.086 4.426 4.340 0.001 0.000 0.319 139 R C -0.232 176.044 176.300 -0.040 0.000 0.984 139 R CA -0.174 55.957 56.100 0.052 0.000 0.861 139 R CB 1.064 31.430 30.300 0.110 0.000 1.104 139 R HN 0.055 nan 8.270 nan 0.000 0.451 140 S N 4.168 119.789 115.700 -0.132 0.000 2.617 140 S HA 0.139 4.609 4.470 0.001 0.000 0.269 140 S C 1.610 176.052 174.600 -0.262 0.000 1.292 140 S CA -0.886 57.069 58.200 -0.408 0.000 1.010 140 S CB 0.770 63.484 63.200 -0.811 0.000 0.944 140 S HN 0.517 nan 8.310 nan 0.000 0.536 141 I N 1.119 121.514 120.570 -0.291 0.000 2.264 141 I HA -0.153 4.018 4.170 0.001 0.000 0.248 141 I C 2.601 178.620 176.117 -0.164 0.000 1.111 141 I CA 1.811 63.001 61.300 -0.184 0.000 1.382 141 I CB -1.621 36.273 38.000 -0.177 0.000 1.060 141 I HN 0.971 nan 8.210 nan 0.000 0.418 142 E N 0.842 120.914 120.200 -0.213 0.000 2.204 142 E HA -0.213 4.138 4.350 0.001 0.000 0.194 142 E C 1.631 178.179 176.600 -0.087 0.000 0.989 142 E CA 1.042 57.355 56.400 -0.144 0.000 0.824 142 E CB 0.155 29.767 29.700 -0.146 0.000 0.756 142 E HN 0.406 nan 8.360 nan 0.000 0.477 143 D N 0.479 120.826 120.400 -0.089 0.000 2.084 143 D HA -0.119 4.521 4.640 0.001 0.000 0.196 143 D C 2.042 178.335 176.300 -0.011 0.000 0.985 143 D CA 0.817 54.798 54.000 -0.032 0.000 0.826 143 D CB -0.147 40.643 40.800 -0.017 0.000 0.978 143 D HN 0.180 nan 8.370 nan 0.000 0.456 144 R N 0.493 120.983 120.500 -0.016 0.000 2.113 144 R HA -0.147 4.194 4.340 0.001 0.000 0.244 144 R C 2.413 178.729 176.300 0.028 0.000 1.142 144 R CA 1.099 57.204 56.100 0.008 0.000 0.953 144 R CB -0.523 29.776 30.300 -0.001 0.000 0.860 144 R HN 0.111 nan 8.270 nan 0.000 0.438 145 V N 0.792 120.704 119.914 -0.004 0.000 2.548 145 V HA -0.195 3.926 4.120 0.001 0.000 0.249 145 V C 2.196 178.323 176.094 0.054 0.000 1.055 145 V CA 1.544 63.844 62.300 0.001 0.000 1.065 145 V CB -0.420 31.329 31.823 -0.123 0.000 0.681 145 V HN 0.357 nan 8.190 nan 0.000 0.462 146 Q N -0.304 119.514 119.800 0.030 0.000 2.167 146 Q HA -0.224 4.116 4.340 0.001 0.000 0.202 146 Q C 2.331 178.378 176.000 0.077 0.000 0.970 146 Q CA 1.640 57.477 55.803 0.055 0.000 0.855 146 Q CB -0.060 28.696 28.738 0.031 0.000 0.911 146 Q HN 0.730 nan 8.270 nan 0.000 0.438 147 E N 0.813 121.050 120.200 0.063 0.000 2.047 147 E HA -0.235 4.115 4.350 0.001 0.000 0.191 147 E C 1.737 178.381 176.600 0.073 0.000 0.987 147 E CA 0.969 57.397 56.400 0.048 0.000 0.799 147 E CB 0.157 29.871 29.700 0.023 0.000 0.752 147 E HN 0.126 nan 8.360 nan 0.000 0.449 148 E N 0.582 120.862 120.200 0.134 0.000 2.118 148 E HA -0.166 4.185 4.350 0.001 0.000 0.195 148 E C 1.718 178.447 176.600 0.215 0.000 0.992 148 E CA 1.427 57.940 56.400 0.189 0.000 0.804 148 E CB -0.360 29.533 29.700 0.322 0.000 0.741 148 E HN 0.368 nan 8.360 nan 0.000 0.458 149 A N 0.920 123.956 122.820 0.360 0.000 1.940 149 A HA -0.250 4.070 4.320 0.001 0.000 0.219 149 A C 2.160 179.821 177.584 0.129 0.000 1.176 149 A CA 2.138 54.384 52.037 0.349 0.000 0.631 149 A CB -0.607 18.601 19.000 0.347 0.000 0.814 149 A HN 0.404 nan 8.150 nan 0.000 0.446 150 R N -1.491 119.056 120.500 0.078 0.000 2.161 150 R HA 0.044 4.384 4.340 0.001 0.000 0.213 150 R C 1.829 178.118 176.300 -0.019 0.000 1.055 150 R CA 1.278 57.394 56.100 0.026 0.000 0.996 150 R CB -1.111 29.198 30.300 0.015 0.000 0.901 150 R HN 0.340 nan 8.270 nan 0.000 0.456 151 C N 0.922 120.191 119.300 -0.052 0.000 2.432 151 C HA 0.077 4.538 4.460 0.001 0.000 0.280 151 C C 2.447 177.332 174.990 -0.174 0.000 1.353 151 C CA 0.221 59.140 59.018 -0.164 0.000 1.766 151 C CB -0.968 26.620 27.740 -0.254 0.000 1.924 151 C HN 0.568 nan 8.230 nan 0.000 0.509 152 L N 0.400 121.584 121.223 -0.064 0.000 2.072 152 L HA -0.069 4.271 4.340 0.001 0.000 0.205 152 L C 2.492 179.342 176.870 -0.034 0.000 1.079 152 L CA 1.341 56.160 54.840 -0.033 0.000 0.752 152 L CB -0.228 41.709 42.059 -0.204 0.000 0.906 152 L HN 0.152 nan 8.230 nan 0.000 0.436 153 V N 0.097 120.022 119.914 0.018 0.000 2.358 153 V HA -0.272 3.849 4.120 0.001 0.000 0.246 153 V C 2.314 178.488 176.094 0.135 0.000 1.047 153 V CA 1.936 64.320 62.300 0.140 0.000 1.035 153 V CB -0.465 31.419 31.823 0.101 0.000 0.658 153 V HN 0.473 nan 8.190 nan 0.000 0.452 154 E N -0.411 119.808 120.200 0.031 0.000 2.118 154 E HA -0.212 4.139 4.350 0.001 0.000 0.195 154 E C 2.296 178.898 176.600 0.002 0.000 0.992 154 E CA 1.142 57.548 56.400 0.010 0.000 0.804 154 E CB -0.047 29.622 29.700 -0.050 0.000 0.741 154 E HN 0.541 nan 8.360 nan 0.000 0.458 155 E N 0.072 120.254 120.200 -0.029 0.000 2.285 155 E HA -0.070 4.280 4.350 0.001 0.000 0.194 155 E C 2.061 178.628 176.600 -0.056 0.000 0.997 155 E CA 0.409 56.808 56.400 -0.001 0.000 0.845 155 E CB 0.194 29.963 29.700 0.114 0.000 0.782 155 E HN 0.337 nan 8.360 nan 0.000 0.491 156 L N -0.086 121.038 121.223 -0.165 0.000 2.179 156 L HA -0.028 4.312 4.340 0.001 0.000 0.208 156 L C 2.655 179.364 176.870 -0.267 0.000 1.096 156 L CA 0.564 55.126 54.840 -0.464 0.000 0.779 156 L CB -0.298 41.129 42.059 -1.053 0.000 0.922 156 L HN -0.012 nan 8.230 nan 0.000 0.443 157 R N 0.811 121.337 120.500 0.043 0.000 2.105 157 R HA -0.181 4.159 4.340 0.001 0.000 0.239 157 R C 2.094 178.442 176.300 0.081 0.000 1.135 157 R CA 1.486 57.697 56.100 0.184 0.000 0.967 157 R CB -0.017 30.411 30.300 0.215 0.000 0.861 157 R HN 0.272 nan 8.270 nan 0.000 0.442 158 K N -0.569 119.855 120.400 0.041 0.000 2.439 158 K HA -0.051 4.270 4.320 0.001 0.000 0.197 158 K C 1.556 178.177 176.600 0.034 0.000 1.041 158 K CA 1.408 57.718 56.287 0.038 0.000 0.970 158 K CB 0.172 32.695 32.500 0.038 0.000 0.773 158 K HN 0.322 nan 8.250 nan 0.000 0.479 159 T N -1.501 113.063 114.554 0.018 0.000 3.160 159 T HA 0.043 4.394 4.350 0.001 0.000 0.257 159 T C 0.517 175.244 174.700 0.045 0.000 1.147 159 T CA 0.056 62.176 62.100 0.033 0.000 1.064 159 T CB -0.272 68.622 68.868 0.042 0.000 0.949 159 T HN 0.130 nan 8.240 nan 0.000 0.526 160 K N 0.176 120.608 120.400 0.053 0.000 3.130 160 K HA -0.222 4.098 4.320 0.001 0.000 0.282 160 K C 0.773 177.413 176.600 0.067 0.000 1.145 160 K CA 0.364 56.687 56.287 0.061 0.000 0.831 160 K CB -2.070 30.458 32.500 0.047 0.000 1.226 160 K HN 0.944 nan 8.250 nan 0.000 0.478 161 A N -1.455 121.411 122.820 0.077 0.000 2.952 161 A HA -0.256 4.064 4.320 0.001 0.000 0.252 161 A C 0.511 178.121 177.584 0.045 0.000 1.323 161 A CA 1.470 53.553 52.037 0.077 0.000 0.957 161 A CB -2.223 16.831 19.000 0.089 0.000 1.130 161 A HN 1.037 nan 8.150 nan 0.000 0.799 162 S N -0.789 114.935 115.700 0.040 0.000 2.654 162 S HA 0.748 5.219 4.470 0.001 0.000 0.283 162 S C -2.199 172.409 174.600 0.013 0.000 1.180 162 S CA -1.259 56.955 58.200 0.024 0.000 1.021 162 S CB 1.158 64.373 63.200 0.026 0.000 1.018 162 S HN 0.224 nan 8.310 nan 0.000 0.532 163 P HA 0.272 nan 4.420 nan 0.000 0.267 163 P C -0.485 176.811 177.300 -0.007 0.000 1.200 163 P CA -0.321 62.766 63.100 -0.021 0.000 0.772 163 P CB 0.088 31.781 31.700 -0.012 0.000 0.855 164 C N 1.233 120.514 119.300 -0.031 0.000 3.284 164 C HA 0.563 5.023 4.460 0.001 0.000 0.338 164 C C -1.485 173.454 174.990 -0.085 0.000 1.237 164 C CA -0.799 58.216 59.018 -0.005 0.000 1.276 164 C CB 1.521 29.304 27.740 0.073 0.000 1.601 164 C HN 0.509 nan 8.230 nan 0.000 0.494 165 D N 3.768 124.127 120.400 -0.067 0.000 2.396 165 D HA 0.447 5.087 4.640 0.001 0.000 0.225 165 D C -0.910 175.338 176.300 -0.086 0.000 1.121 165 D CA -1.945 51.954 54.000 -0.168 0.000 0.853 165 D CB 1.561 42.357 40.800 -0.006 0.000 1.043 165 D HN 0.559 nan 8.370 nan 0.000 0.500 166 P HA -0.074 nan 4.420 nan 0.000 0.230 166 P C 1.095 178.385 177.300 -0.017 0.000 1.158 166 P CA 0.424 63.516 63.100 -0.013 0.000 0.769 166 P CB 0.239 31.965 31.700 0.044 0.000 0.807 167 T N -0.050 114.482 114.554 -0.036 0.000 2.680 167 T HA -0.221 4.130 4.350 0.001 0.000 0.268 167 T C 1.406 176.133 174.700 0.044 0.000 1.033 167 T CA 1.555 63.663 62.100 0.013 0.000 1.152 167 T CB -0.858 68.036 68.868 0.044 0.000 0.859 167 T HN 0.180 nan 8.240 nan 0.000 0.452 168 F N 0.729 120.642 119.950 -0.062 0.000 2.147 168 F HA 0.155 4.682 4.527 0.001 0.000 0.291 168 F C 2.086 177.818 175.800 -0.114 0.000 1.093 168 F CA 0.683 58.636 58.000 -0.078 0.000 1.263 168 F CB -0.214 38.748 39.000 -0.065 0.000 1.036 168 F HN 0.006 nan 8.300 nan 0.000 0.481 169 I N 0.250 120.678 120.570 -0.237 0.000 2.163 169 I HA -0.316 3.854 4.170 0.001 0.000 0.243 169 I C 2.095 177.986 176.117 -0.376 0.000 1.085 169 I CA 1.005 62.091 61.300 -0.357 0.000 1.347 169 I CB -0.447 37.482 38.000 -0.118 0.000 1.044 169 I HN 0.204 nan 8.210 nan 0.000 0.408 170 L N 0.620 121.710 121.223 -0.222 0.000 2.362 170 L HA -0.086 4.254 4.340 0.001 0.000 0.219 170 L C 2.338 179.111 176.870 -0.162 0.000 1.134 170 L CA 1.633 56.372 54.840 -0.169 0.000 0.807 170 L CB -1.443 40.585 42.059 -0.051 0.000 0.927 170 L HN 0.214 nan 8.230 nan 0.000 0.447 171 G N -2.580 106.091 108.800 -0.216 0.000 2.494 171 G HA2 -0.151 3.810 3.960 0.001 0.000 0.216 171 G HA3 -0.151 3.810 3.960 0.001 0.000 0.216 171 G C 1.645 176.403 174.900 -0.238 0.000 1.140 171 G CA 0.643 45.638 45.100 -0.176 0.000 0.801 171 G HN 0.418 nan 8.290 nan 0.000 0.536 172 C N 0.888 119.907 119.300 -0.467 0.000 2.446 172 C HA 0.202 4.663 4.460 0.001 0.000 0.277 172 C C 3.483 178.358 174.990 -0.193 0.000 1.275 172 C CA 0.903 59.647 59.018 -0.456 0.000 1.727 172 C CB -0.740 26.339 27.740 -1.102 0.000 2.010 172 C HN 0.552 nan 8.230 nan 0.000 0.486 173 A N 1.674 124.333 122.820 -0.269 0.000 1.858 173 A HA -0.084 4.237 4.320 0.001 0.000 0.216 173 A C 0.169 177.829 177.584 0.127 0.000 1.190 173 A CA 1.917 53.876 52.037 -0.131 0.000 0.617 173 A CB -1.875 16.810 19.000 -0.525 0.000 0.827 173 A HN 0.459 nan 8.150 nan 0.000 0.443 174 P HA -0.094 nan 4.420 nan 0.000 0.217 174 P C 1.812 179.227 177.300 0.192 0.000 1.151 174 P CA 1.129 64.371 63.100 0.236 0.000 0.828 174 P CB -0.336 31.479 31.700 0.193 0.000 0.788 175 C N -0.541 118.883 119.300 0.207 0.000 2.429 175 C HA -0.067 4.393 4.460 0.001 0.000 0.277 175 C C 2.564 177.815 174.990 0.436 0.000 1.262 175 C CA 1.236 60.450 59.018 0.327 0.000 1.733 175 C CB -2.142 25.791 27.740 0.323 0.000 2.010 175 C HN 0.160 nan 8.230 nan 0.000 0.483 176 N N 0.362 119.304 118.700 0.404 0.000 2.244 176 N HA -0.076 4.664 4.740 0.001 0.000 0.183 176 N C 1.659 177.284 175.510 0.191 0.000 1.016 176 N CA 1.354 54.588 53.050 0.306 0.000 0.866 176 N CB -0.278 38.313 38.487 0.174 0.000 0.980 176 N HN 0.430 nan 8.380 nan 0.000 0.430 177 V N 0.674 120.692 119.914 0.173 0.000 2.295 177 V HA -0.202 3.918 4.120 0.001 0.000 0.246 177 V C 2.072 178.162 176.094 -0.007 0.000 1.049 177 V CA 1.150 63.509 62.300 0.098 0.000 1.024 177 V CB -0.334 31.559 31.823 0.117 0.000 0.648 177 V HN 0.179 nan 8.190 nan 0.000 0.447 178 I N -0.599 119.936 120.570 -0.057 0.000 2.286 178 I HA -0.220 3.951 4.170 0.001 0.000 0.248 178 I C 2.511 178.409 176.117 -0.365 0.000 1.115 178 I CA 1.444 62.554 61.300 -0.316 0.000 1.392 178 I CB -0.710 36.944 38.000 -0.577 0.000 1.065 178 I HN 0.303 nan 8.210 nan 0.000 0.418 179 C N -0.930 118.345 119.300 -0.043 0.000 2.413 179 C HA -0.175 4.285 4.460 0.001 0.000 0.276 179 C C 3.243 178.171 174.990 -0.103 0.000 1.248 179 C CA 1.439 60.470 59.018 0.022 0.000 1.742 179 C CB -1.102 26.936 27.740 0.498 0.000 2.017 179 C HN 0.552 nan 8.230 nan 0.000 0.481 180 S N 0.331 116.018 115.700 -0.020 0.000 2.348 180 S HA -0.088 4.382 4.470 0.001 0.000 0.221 180 S C 1.641 176.252 174.600 0.018 0.000 1.033 180 S CA 1.435 59.646 58.200 0.018 0.000 1.010 180 S CB -0.312 62.906 63.200 0.029 0.000 0.891 180 S HN 0.557 nan 8.310 nan 0.000 0.442 181 I N 1.534 122.069 120.570 -0.059 0.000 2.264 181 I HA -0.187 3.984 4.170 0.001 0.000 0.248 181 I C 1.907 178.002 176.117 -0.037 0.000 1.111 181 I CA 1.048 62.314 61.300 -0.057 0.000 1.382 181 I CB -0.218 37.707 38.000 -0.125 0.000 1.060 181 I HN 0.369 nan 8.210 nan 0.000 0.418 182 I N -0.765 119.677 120.570 -0.212 0.000 2.494 182 I HA -0.128 4.042 4.170 0.001 0.000 0.250 182 I C 1.938 178.115 176.117 0.100 0.000 1.112 182 I CA 1.628 62.816 61.300 -0.186 0.000 1.438 182 I CB -0.631 37.019 38.000 -0.585 0.000 1.111 182 I HN 0.160 nan 8.210 nan 0.000 0.431 183 F N -0.501 119.579 119.950 0.216 0.000 2.695 183 F HA 0.178 4.705 4.527 0.001 0.000 0.303 183 F C 1.615 177.601 175.800 0.310 0.000 1.091 183 F CA 0.184 58.355 58.000 0.285 0.000 1.300 183 F CB -0.069 39.042 39.000 0.185 0.000 1.071 183 F HN 0.199 nan 8.300 nan 0.000 0.578 184 H N 0.973 120.190 119.070 0.245 0.000 4.646 184 H HA -0.230 4.326 4.556 0.001 0.000 0.103 184 H C -0.149 175.204 175.328 0.043 0.000 0.618 184 H CA 1.251 57.366 56.048 0.113 0.000 1.198 184 H CB -0.759 29.049 29.762 0.077 0.000 0.575 184 H HN 0.326 nan 8.280 nan 0.000 0.644 185 K N 1.451 121.895 120.400 0.074 0.000 2.422 185 K HA 0.466 4.787 4.320 0.001 0.000 0.251 185 K C -0.278 176.211 176.600 -0.186 0.000 0.933 185 K CA -0.848 55.378 56.287 -0.102 0.000 0.798 185 K CB 2.635 35.028 32.500 -0.180 0.000 1.238 185 K HN 0.292 nan 8.250 nan 0.000 0.428 186 R N 0.928 121.334 120.500 -0.158 0.000 2.774 186 R HA 0.235 4.575 4.340 0.001 0.000 0.269 186 R C -0.963 175.143 176.300 -0.324 0.000 1.068 186 R CA -0.199 55.791 56.100 -0.184 0.000 1.180 186 R CB 0.140 30.400 30.300 -0.068 0.000 1.077 186 R HN 0.438 nan 8.270 nan 0.000 0.513 187 F N -0.802 119.093 119.950 -0.091 0.000 2.457 187 F HA 0.223 4.751 4.527 0.001 0.000 0.330 187 F C 0.913 176.589 175.800 -0.207 0.000 1.069 187 F CA -0.693 57.226 58.000 -0.135 0.000 1.009 187 F CB 1.055 39.939 39.000 -0.194 0.000 1.276 187 F HN 0.546 nan 8.300 nan 0.000 0.492 188 D N 0.348 120.820 120.400 0.119 0.000 2.341 188 D HA 0.010 4.650 4.640 0.001 0.000 0.245 188 D C 0.595 176.984 176.300 0.148 0.000 1.106 188 D CA 0.010 54.042 54.000 0.054 0.000 0.905 188 D CB 0.705 41.553 40.800 0.079 0.000 1.202 188 D HN 0.597 nan 8.370 nan 0.000 0.426 189 Y N 1.407 121.716 120.300 0.014 0.000 2.556 189 Y HA -0.144 4.407 4.550 0.001 0.000 0.290 189 Y C 1.998 178.114 175.900 0.361 0.000 1.149 189 Y CA 0.318 58.533 58.100 0.193 0.000 1.329 189 Y CB 0.433 38.989 38.460 0.160 0.000 0.975 189 Y HN 0.257 nan 8.280 nan 0.000 0.561 190 K N -0.589 120.038 120.400 0.377 0.000 2.391 190 K HA -0.008 4.312 4.320 0.001 0.000 0.197 190 K C 0.283 177.019 176.600 0.225 0.000 1.087 190 K CA -0.187 56.268 56.287 0.279 0.000 1.012 190 K CB 0.318 32.929 32.500 0.186 0.000 0.925 190 K HN 0.060 nan 8.250 nan 0.000 0.547 191 D N 1.703 122.241 120.400 0.231 0.000 2.730 191 D HA -0.145 4.495 4.640 0.001 0.000 0.225 191 D C 0.793 177.174 176.300 0.135 0.000 1.107 191 D CA 0.742 54.851 54.000 0.182 0.000 0.837 191 D CB 1.163 42.096 40.800 0.221 0.000 1.171 191 D HN 0.025 nan 8.370 nan 0.000 0.498 192 Q N 2.777 122.616 119.800 0.065 0.000 2.187 192 Q HA -0.132 4.208 4.340 0.001 0.000 0.199 192 Q C 1.909 177.874 176.000 -0.057 0.000 0.957 192 Q CA 1.432 57.244 55.803 0.016 0.000 0.857 192 Q CB 0.079 28.826 28.738 0.016 0.000 0.929 192 Q HN 0.563 nan 8.270 nan 0.000 0.453 193 Q N -0.962 118.778 119.800 -0.099 0.000 2.112 193 Q HA -0.194 4.146 4.340 0.001 0.000 0.206 193 Q C 1.791 177.560 176.000 -0.384 0.000 0.987 193 Q CA 1.759 57.405 55.803 -0.261 0.000 0.858 193 Q CB -0.303 28.284 28.738 -0.253 0.000 0.905 193 Q HN 0.475 nan 8.270 nan 0.000 0.420 194 F N 0.736 120.383 119.950 -0.505 0.000 2.098 194 F HA -0.152 4.375 4.527 0.001 0.000 0.294 194 F C 1.831 177.520 175.800 -0.185 0.000 1.107 194 F CA 0.860 58.610 58.000 -0.417 0.000 1.234 194 F CB 0.044 38.903 39.000 -0.235 0.000 1.002 194 F HN -0.055 nan 8.300 nan 0.000 0.472 195 L N 0.663 121.758 121.223 -0.214 0.000 2.127 195 L HA -0.284 4.056 4.340 0.001 0.000 0.211 195 L C 1.852 178.574 176.870 -0.245 0.000 1.089 195 L CA 1.992 56.695 54.840 -0.228 0.000 0.757 195 L CB -0.981 41.052 42.059 -0.044 0.000 0.899 195 L HN 0.278 nan 8.230 nan 0.000 0.434 196 N N -0.362 118.201 118.700 -0.228 0.000 2.080 196 N HA -0.208 4.533 4.740 0.001 0.000 0.189 196 N C 1.766 177.111 175.510 -0.274 0.000 1.036 196 N CA 0.783 53.695 53.050 -0.230 0.000 0.846 196 N CB -0.219 38.197 38.487 -0.119 0.000 1.015 196 N HN 0.094 nan 8.380 nan 0.000 0.423 197 L N 0.982 122.016 121.223 -0.315 0.000 2.043 197 L HA -0.135 4.205 4.340 0.001 0.000 0.212 197 L C 2.225 178.926 176.870 -0.282 0.000 1.075 197 L CA 1.644 56.304 54.840 -0.299 0.000 0.752 197 L CB -0.641 41.219 42.059 -0.331 0.000 0.891 197 L HN 0.209 nan 8.230 nan 0.000 0.432 198 M N -0.474 118.897 119.600 -0.381 0.000 2.117 198 M HA -0.215 4.265 4.480 0.001 0.000 0.262 198 M C 2.224 178.408 176.300 -0.193 0.000 1.065 198 M CA 1.878 56.976 55.300 -0.336 0.000 1.114 198 M CB -0.446 31.856 32.600 -0.498 0.000 1.361 198 M HN 0.455 nan 8.290 nan 0.000 0.408 199 E N -0.498 119.581 120.200 -0.201 0.000 2.051 199 E HA -0.231 4.119 4.350 0.001 0.000 0.192 199 E C 1.737 178.238 176.600 -0.165 0.000 0.991 199 E CA 1.206 57.505 56.400 -0.169 0.000 0.799 199 E CB 0.078 29.654 29.700 -0.207 0.000 0.748 199 E HN 0.350 nan 8.360 nan 0.000 0.449 200 K N 0.298 120.575 120.400 -0.205 0.000 2.155 200 K HA -0.071 4.249 4.320 0.001 0.000 0.203 200 K C 2.310 178.860 176.600 -0.083 0.000 1.052 200 K CA 0.553 56.735 56.287 -0.175 0.000 0.948 200 K CB -0.193 32.180 32.500 -0.212 0.000 0.728 200 K HN 0.283 nan 8.250 nan 0.000 0.448 201 L N 0.864 122.045 121.223 -0.070 0.000 2.027 201 L HA -0.182 4.158 4.340 0.001 0.000 0.206 201 L C 1.921 178.787 176.870 -0.007 0.000 1.074 201 L CA 1.384 56.215 54.840 -0.014 0.000 0.745 201 L CB -0.506 41.553 42.059 0.000 0.000 0.898 201 L HN 0.285 nan 8.230 nan 0.000 0.433 202 N N -0.749 117.933 118.700 -0.030 0.000 2.244 202 N HA -0.197 4.543 4.740 0.001 0.000 0.183 202 N C 1.785 177.288 175.510 -0.011 0.000 1.016 202 N CA 0.611 53.654 53.050 -0.012 0.000 0.866 202 N CB 0.066 38.543 38.487 -0.015 0.000 0.980 202 N HN 0.335 nan 8.380 nan 0.000 0.430 203 E N 1.406 121.586 120.200 -0.033 0.000 2.051 203 E HA -0.152 4.198 4.350 0.001 0.000 0.192 203 E C 1.356 177.955 176.600 -0.002 0.000 0.991 203 E CA 0.961 57.344 56.400 -0.029 0.000 0.799 203 E CB -0.011 29.653 29.700 -0.061 0.000 0.748 203 E HN 0.386 nan 8.360 nan 0.000 0.449 204 N N 0.063 118.766 118.700 0.005 0.000 2.137 204 N HA -0.188 4.553 4.740 0.001 0.000 0.190 204 N C 1.958 177.496 175.510 0.047 0.000 1.017 204 N CA 1.042 54.112 53.050 0.033 0.000 0.859 204 N CB -0.082 38.431 38.487 0.045 0.000 1.002 204 N HN 0.180 nan 8.380 nan 0.000 0.428 205 I N 0.875 121.470 120.570 0.042 0.000 2.286 205 I HA -0.182 3.988 4.170 0.001 0.000 0.245 205 I C 2.546 178.690 176.117 0.045 0.000 1.104 205 I CA 0.859 62.190 61.300 0.050 0.000 1.397 205 I CB -0.155 37.873 38.000 0.047 0.000 1.072 205 I HN 0.176 nan 8.210 nan 0.000 0.417 206 E N 1.381 121.601 120.200 0.033 0.000 2.031 206 E HA -0.235 4.115 4.350 0.001 0.000 0.193 206 E C 2.361 178.986 176.600 0.042 0.000 0.994 206 E CA 1.602 58.020 56.400 0.029 0.000 0.800 206 E CB -0.073 29.636 29.700 0.014 0.000 0.752 206 E HN 0.424 nan 8.360 nan 0.000 0.447 207 I N 0.957 121.555 120.570 0.047 0.000 2.151 207 I HA -0.326 3.845 4.170 0.001 0.000 0.243 207 I C 2.425 178.587 176.117 0.075 0.000 1.080 207 I CA 1.138 62.480 61.300 0.069 0.000 1.339 207 I CB -0.169 37.871 38.000 0.067 0.000 1.039 207 I HN 0.165 nan 8.210 nan 0.000 0.409 208 L N 0.120 121.381 121.223 0.064 0.000 2.478 208 L HA -0.068 4.273 4.340 0.001 0.000 0.223 208 L C 1.982 178.877 176.870 0.042 0.000 1.140 208 L CA 0.744 55.619 54.840 0.059 0.000 0.842 208 L CB -0.350 41.754 42.059 0.074 0.000 0.953 208 L HN 0.335 nan 8.230 nan 0.000 0.452 209 S N -2.967 112.759 115.700 0.044 0.000 2.597 209 S HA 0.150 4.620 4.470 0.001 0.000 0.224 209 S C 0.676 175.294 174.600 0.029 0.000 0.955 209 S CA -0.587 57.633 58.200 0.033 0.000 0.933 209 S CB 0.085 63.309 63.200 0.040 0.000 0.788 209 S HN 0.102 nan 8.310 nan 0.000 0.488 210 S N 4.139 119.867 115.700 0.048 0.000 2.499 210 S HA 0.292 4.762 4.470 0.001 0.000 0.275 210 S C -1.610 173.020 174.600 0.050 0.000 1.257 210 S CA -0.982 57.260 58.200 0.070 0.000 1.050 210 S CB 1.161 64.453 63.200 0.154 0.000 0.937 210 S HN 0.199 nan 8.310 nan 0.000 0.490 211 P HA -0.147 nan 4.420 nan 0.000 0.217 211 P C 1.330 178.655 177.300 0.043 0.000 1.148 211 P CA 0.818 63.922 63.100 0.006 0.000 0.828 211 P CB 0.029 31.734 31.700 0.007 0.000 0.783 212 W N 0.204 121.407 121.300 -0.162 0.000 2.292 212 W HA -0.251 4.410 4.660 0.001 0.000 0.304 212 W C 1.298 177.649 176.519 -0.279 0.000 1.228 212 W CA 0.679 57.882 57.345 -0.236 0.000 1.241 212 W CB -0.291 29.051 29.460 -0.197 0.000 1.142 212 W HN -0.122 nan 8.180 nan 0.000 0.520 213 I N 0.806 121.316 120.570 -0.100 0.000 2.454 213 I HA -0.277 3.894 4.170 0.001 0.000 0.254 213 I C 2.245 178.217 176.117 -0.241 0.000 1.156 213 I CA 1.648 62.882 61.300 -0.111 0.000 1.433 213 I CB -1.456 36.506 38.000 -0.062 0.000 1.082 213 I HN 0.152 nan 8.210 nan 0.000 0.432 214 Q N 0.611 120.223 119.800 -0.314 0.000 2.245 214 Q HA -0.039 4.301 4.340 0.001 0.000 0.201 214 Q C 2.199 177.970 176.000 -0.382 0.000 0.955 214 Q CA 0.805 56.377 55.803 -0.385 0.000 0.870 214 Q CB -0.159 28.376 28.738 -0.339 0.000 0.945 214 Q HN 0.346 nan 8.270 nan 0.000 0.461 215 V N 0.249 119.901 119.914 -0.437 0.000 2.324 215 V HA -0.307 3.813 4.120 0.001 0.000 0.250 215 V C 1.737 177.511 176.094 -0.532 0.000 1.060 215 V CA 1.992 63.954 62.300 -0.563 0.000 1.042 215 V CB -0.962 30.479 31.823 -0.636 0.000 0.650 215 V HN 0.320 nan 8.190 nan 0.000 0.450 216 Y N 1.157 121.209 120.300 -0.413 0.000 2.224 216 Y HA -0.142 4.409 4.550 0.001 0.000 0.289 216 Y C 2.569 178.350 175.900 -0.197 0.000 1.146 216 Y CA 1.304 59.236 58.100 -0.280 0.000 1.182 216 Y CB -0.783 37.511 38.460 -0.276 0.000 0.983 216 Y HN 0.324 nan 8.280 nan 0.000 0.524 217 N N -0.145 118.482 118.700 -0.121 0.000 2.244 217 N HA -0.140 4.600 4.740 0.001 0.000 0.183 217 N C 1.337 176.816 175.510 -0.051 0.000 1.016 217 N CA 0.976 53.938 53.050 -0.148 0.000 0.866 217 N CB -0.384 37.794 38.487 -0.516 0.000 0.980 217 N HN 0.477 nan 8.380 nan 0.000 0.430 218 N N 0.120 118.705 118.700 -0.191 0.000 2.207 218 N HA -0.018 4.722 4.740 0.001 0.000 0.182 218 N C -0.062 175.434 175.510 -0.023 0.000 1.020 218 N CA 0.701 53.611 53.050 -0.233 0.000 0.858 218 N CB 0.041 38.042 38.487 -0.809 0.000 0.991 218 N HN 0.245 nan 8.380 nan 0.000 0.427 219 F N 1.389 121.371 119.950 0.054 0.000 2.389 219 F HA 0.346 4.874 4.527 0.001 0.000 0.327 219 F C -1.570 174.282 175.800 0.086 0.000 1.204 219 F CA -2.055 55.975 58.000 0.049 0.000 1.209 219 F CB 1.450 40.447 39.000 -0.006 0.000 1.460 219 F HN -0.114 nan 8.300 nan 0.000 0.537 220 P HA -0.259 nan 4.420 nan 0.000 0.220 220 P C 1.521 178.946 177.300 0.208 0.000 1.144 220 P CA 1.297 64.517 63.100 0.200 0.000 0.800 220 P CB 0.215 32.011 31.700 0.160 0.000 0.772 221 A N 0.044 122.996 122.820 0.221 0.000 2.015 221 A HA -0.095 4.226 4.320 0.001 0.000 0.219 221 A C 2.220 180.000 177.584 0.326 0.000 1.163 221 A CA 0.912 53.089 52.037 0.233 0.000 0.646 221 A CB -1.431 17.676 19.000 0.178 0.000 0.806 221 A HN 0.164 nan 8.150 nan 0.000 0.448 222 L N -0.518 120.896 121.223 0.317 0.000 2.549 222 L HA -0.090 4.250 4.340 0.001 0.000 0.229 222 L C 2.074 179.242 176.870 0.498 0.000 1.158 222 L CA 0.276 55.362 54.840 0.410 0.000 0.842 222 L CB -0.471 41.744 42.059 0.259 0.000 0.952 222 L HN 0.410 nan 8.230 nan 0.000 0.452 223 L N -0.701 120.706 121.223 0.307 0.000 2.072 223 L HA -0.176 4.165 4.340 0.001 0.000 0.205 223 L C 2.222 179.113 176.870 0.035 0.000 1.079 223 L CA 0.992 55.849 54.840 0.029 0.000 0.752 223 L CB -0.478 41.537 42.059 -0.074 0.000 0.906 223 L HN 0.258 nan 8.230 nan 0.000 0.436 224 D N -0.266 120.207 120.400 0.122 0.000 2.104 224 D HA -0.228 4.412 4.640 0.001 0.000 0.194 224 D C 1.918 178.186 176.300 -0.053 0.000 0.994 224 D CA 1.806 55.819 54.000 0.021 0.000 0.830 224 D CB -0.218 40.574 40.800 -0.013 0.000 0.959 224 D HN 0.367 nan 8.370 nan 0.000 0.452 225 Y N -1.409 118.913 120.300 0.038 0.000 2.546 225 Y HA 0.135 4.685 4.550 0.001 0.000 0.287 225 Y C 0.371 176.062 175.900 -0.348 0.000 1.158 225 Y CA 0.245 58.277 58.100 -0.113 0.000 1.307 225 Y CB 0.182 38.605 38.460 -0.061 0.000 1.036 225 Y HN -0.172 nan 8.280 nan 0.000 0.532 226 F N 0.252 120.314 119.950 0.187 0.000 3.065 226 F HA 0.312 4.839 4.527 0.001 0.000 0.383 226 F C -2.306 173.507 175.800 0.021 0.000 1.259 226 F CA -1.708 56.398 58.000 0.177 0.000 1.217 226 F CB 1.334 40.515 39.000 0.302 0.000 2.042 226 F HN -0.193 nan 8.300 nan 0.000 0.641 227 P HA 0.127 nan 4.420 nan 0.000 0.261 227 P C 1.602 178.830 177.300 -0.120 0.000 1.268 227 P CA 0.452 63.406 63.100 -0.244 0.000 0.833 227 P CB 0.483 32.119 31.700 -0.107 0.000 1.231 228 G N 0.627 109.466 108.800 0.065 0.000 2.476 228 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 228 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 228 G C 0.618 175.576 174.900 0.097 0.000 1.164 228 G CA 0.804 45.969 45.100 0.109 0.000 0.768 228 G HN 0.249 nan 8.290 nan 0.000 0.560 229 T N 0.434 115.042 114.554 0.089 0.000 2.779 229 T HA 0.415 4.765 4.350 0.001 0.000 0.296 229 T C 0.618 175.310 174.700 -0.014 0.000 0.938 229 T CA 0.900 63.037 62.100 0.062 0.000 1.119 229 T CB 0.231 69.166 68.868 0.113 0.000 0.891 229 T HN 0.851 nan 8.240 nan 0.000 0.526 230 H N 1.992 121.033 119.070 -0.049 0.000 4.429 230 H HA -0.177 4.379 4.556 0.001 0.000 0.109 230 H C 0.646 175.947 175.328 -0.045 0.000 0.619 230 H CA 0.831 56.831 56.048 -0.080 0.000 1.110 230 H CB -1.284 28.383 29.762 -0.158 0.000 0.464 230 H HN 0.490 nan 8.280 nan 0.000 0.732 231 N N 1.470 120.392 118.700 0.369 0.000 2.251 231 N HA 0.029 4.769 4.740 0.001 0.000 0.181 231 N C 1.551 177.115 175.510 0.091 0.000 1.019 231 N CA 1.678 54.843 53.050 0.193 0.000 0.862 231 N CB -0.111 38.482 38.487 0.177 0.000 0.992 231 N HN 0.568 nan 8.380 nan 0.000 0.429 232 K N 0.593 121.046 120.400 0.089 0.000 2.057 232 K HA 0.043 4.364 4.320 0.001 0.000 0.206 232 K C 2.003 178.627 176.600 0.040 0.000 1.050 232 K CA 0.700 57.018 56.287 0.052 0.000 0.935 232 K CB -0.135 32.396 32.500 0.052 0.000 0.715 232 K HN 0.080 nan 8.250 nan 0.000 0.439 233 L N 0.642 121.895 121.223 0.050 0.000 2.027 233 L HA -0.168 4.173 4.340 0.001 0.000 0.206 233 L C 2.295 179.177 176.870 0.020 0.000 1.074 233 L CA 1.082 55.944 54.840 0.037 0.000 0.745 233 L CB -0.438 41.645 42.059 0.040 0.000 0.898 233 L HN 0.149 nan 8.230 nan 0.000 0.433 234 L N -0.119 121.102 121.223 -0.004 0.000 2.079 234 L HA -0.267 4.073 4.340 0.001 0.000 0.210 234 L C 2.765 179.640 176.870 0.007 0.000 1.081 234 L CA 1.435 56.258 54.840 -0.028 0.000 0.752 234 L CB -0.441 41.570 42.059 -0.081 0.000 0.896 234 L HN 0.280 nan 8.230 nan 0.000 0.433 235 K N 0.260 120.673 120.400 0.022 0.000 2.057 235 K HA -0.149 4.172 4.320 0.001 0.000 0.206 235 K C 1.724 178.366 176.600 0.069 0.000 1.050 235 K CA 1.569 57.881 56.287 0.042 0.000 0.935 235 K CB -0.039 32.481 32.500 0.033 0.000 0.715 235 K HN 0.449 nan 8.250 nan 0.000 0.439 236 N N -0.111 118.615 118.700 0.044 0.000 2.270 236 N HA -0.103 4.638 4.740 0.001 0.000 0.181 236 N C 1.600 177.170 175.510 0.101 0.000 1.016 236 N CA 0.645 53.720 53.050 0.043 0.000 0.870 236 N CB 0.241 38.722 38.487 -0.010 0.000 0.979 236 N HN -0.041 nan 8.380 nan 0.000 0.431 237 V N 1.115 121.077 119.914 0.079 0.000 2.809 237 V HA -0.090 4.031 4.120 0.001 0.000 0.256 237 V C 2.148 178.298 176.094 0.093 0.000 1.080 237 V CA 1.400 63.752 62.300 0.087 0.000 1.102 237 V CB -0.429 31.430 31.823 0.061 0.000 0.705 237 V HN 0.308 nan 8.190 nan 0.000 0.475 238 A N -0.538 122.337 122.820 0.092 0.000 1.898 238 A HA -0.100 4.220 4.320 0.001 0.000 0.214 238 A C 2.028 179.678 177.584 0.110 0.000 1.183 238 A CA 1.194 53.277 52.037 0.076 0.000 0.622 238 A CB -0.574 18.457 19.000 0.053 0.000 0.824 238 A HN 0.468 nan 8.150 nan 0.000 0.444 239 F N 0.502 120.457 119.950 0.007 0.000 2.095 239 F HA -0.216 4.312 4.527 0.001 0.000 0.298 239 F C 2.314 178.136 175.800 0.037 0.000 1.104 239 F CA 2.211 60.216 58.000 0.007 0.000 1.232 239 F CB -0.279 38.706 39.000 -0.025 0.000 0.987 239 F HN 0.149 nan 8.300 nan 0.000 0.475 240 M N -0.097 119.693 119.600 0.316 0.000 2.117 240 M HA -0.243 4.237 4.480 0.001 0.000 0.262 240 M C 2.246 178.639 176.300 0.155 0.000 1.065 240 M CA 1.802 57.237 55.300 0.225 0.000 1.114 240 M CB -0.429 32.268 32.600 0.161 0.000 1.361 240 M HN 0.052 nan 8.290 nan 0.000 0.408 241 K N -0.148 120.315 120.400 0.104 0.000 2.026 241 K HA -0.147 4.174 4.320 0.001 0.000 0.208 241 K C 2.166 178.780 176.600 0.023 0.000 1.048 241 K CA 1.934 58.261 56.287 0.067 0.000 0.929 241 K CB -0.258 32.268 32.500 0.044 0.000 0.713 241 K HN 0.368 nan 8.250 nan 0.000 0.439 242 S N -0.089 115.602 115.700 -0.014 0.000 2.461 242 S HA -0.141 4.330 4.470 0.001 0.000 0.228 242 S C 1.970 176.522 174.600 -0.079 0.000 1.005 242 S CA 0.369 58.535 58.200 -0.057 0.000 0.942 242 S CB -0.378 62.777 63.200 -0.075 0.000 0.776 242 S HN 0.399 nan 8.310 nan 0.000 0.514 243 Y N 1.973 122.138 120.300 -0.225 0.000 2.224 243 Y HA 0.089 4.639 4.550 0.001 0.000 0.289 243 Y C 1.766 177.602 175.900 -0.106 0.000 1.146 243 Y CA 1.209 59.176 58.100 -0.222 0.000 1.182 243 Y CB -0.425 37.870 38.460 -0.274 0.000 0.983 243 Y HN 0.290 nan 8.280 nan 0.000 0.524 244 I N -0.350 120.107 120.570 -0.189 0.000 2.353 244 I HA -0.264 3.906 4.170 0.001 0.000 0.248 244 I C 2.555 178.575 176.117 -0.163 0.000 1.119 244 I CA 0.764 61.967 61.300 -0.162 0.000 1.417 244 I CB -0.348 37.718 38.000 0.110 0.000 1.078 244 I HN 0.305 nan 8.210 nan 0.000 0.421 245 L N 0.834 121.992 121.223 -0.109 0.000 2.079 245 L HA -0.257 4.083 4.340 0.001 0.000 0.210 245 L C 2.403 179.206 176.870 -0.112 0.000 1.081 245 L CA 1.938 56.727 54.840 -0.084 0.000 0.752 245 L CB -0.509 41.517 42.059 -0.056 0.000 0.896 245 L HN 0.387 nan 8.230 nan 0.000 0.433 246 E N -0.033 120.069 120.200 -0.163 0.000 2.058 246 E HA -0.303 4.048 4.350 0.001 0.000 0.194 246 E C 2.015 178.507 176.600 -0.181 0.000 0.997 246 E CA 1.463 57.767 56.400 -0.159 0.000 0.801 246 E CB 0.135 29.726 29.700 -0.183 0.000 0.746 246 E HN 0.228 nan 8.360 nan 0.000 0.450 247 K N -0.016 120.195 120.400 -0.314 0.000 2.211 247 K HA -0.097 4.224 4.320 0.001 0.000 0.203 247 K C 1.928 178.436 176.600 -0.153 0.000 1.050 247 K CA 0.991 57.097 56.287 -0.302 0.000 0.945 247 K CB -0.040 32.087 32.500 -0.622 0.000 0.732 247 K HN 0.223 nan 8.250 nan 0.000 0.451 248 V N -1.966 117.867 119.914 -0.135 0.000 3.129 248 V HA -0.011 4.110 4.120 0.001 0.000 0.259 248 V C 1.526 177.636 176.094 0.027 0.000 1.116 248 V CA 1.027 63.278 62.300 -0.081 0.000 1.127 248 V CB -0.184 31.605 31.823 -0.057 0.000 0.742 248 V HN 0.107 nan 8.190 nan 0.000 0.474 249 K N 0.370 120.777 120.400 0.012 0.000 2.098 249 K HA 0.020 4.340 4.320 0.001 0.000 0.203 249 K C 2.166 178.804 176.600 0.062 0.000 1.051 249 K CA 1.364 57.670 56.287 0.031 0.000 0.957 249 K CB -0.114 32.387 32.500 0.002 0.000 0.738 249 K HN 0.522 nan 8.250 nan 0.000 0.447 250 E N -0.041 120.201 120.200 0.070 0.000 2.171 250 E HA -0.217 4.133 4.350 0.001 0.000 0.197 250 E C 1.730 178.420 176.600 0.149 0.000 0.997 250 E CA 1.342 57.799 56.400 0.095 0.000 0.810 250 E CB -0.012 29.745 29.700 0.095 0.000 0.738 250 E HN 0.332 nan 8.360 nan 0.000 0.467 251 H N -0.131 118.954 119.070 0.025 0.000 2.384 251 H HA 0.033 4.590 4.556 0.001 0.000 0.300 251 H C 1.830 177.185 175.328 0.045 0.000 1.057 251 H CA 0.962 57.041 56.048 0.052 0.000 1.370 251 H CB -0.023 29.789 29.762 0.084 0.000 1.417 251 H HN 0.086 nan 8.280 nan 0.000 0.527 252 Q N 0.007 119.907 119.800 0.167 0.000 2.234 252 Q HA -0.172 4.169 4.340 0.001 0.000 0.206 252 Q C 1.951 177.991 176.000 0.067 0.000 0.980 252 Q CA 1.169 57.033 55.803 0.102 0.000 0.869 252 Q CB 0.239 29.022 28.738 0.075 0.000 0.912 252 Q HN 0.461 nan 8.270 nan 0.000 0.436 253 E N -0.391 119.843 120.200 0.058 0.000 2.014 253 E HA -0.084 4.267 4.350 0.001 0.000 0.190 253 E C 1.914 178.528 176.600 0.023 0.000 0.980 253 E CA 0.879 57.300 56.400 0.034 0.000 0.807 253 E CB 0.108 29.824 29.700 0.027 0.000 0.770 253 E HN 0.143 nan 8.360 nan 0.000 0.451 254 S N 1.030 116.737 115.700 0.012 0.000 2.380 254 S HA -0.113 4.358 4.470 0.001 0.000 0.213 254 S C 1.232 175.829 174.600 -0.005 0.000 1.037 254 S CA 0.518 58.710 58.200 -0.013 0.000 1.034 254 S CB -0.402 62.762 63.200 -0.060 0.000 1.022 254 S HN 0.448 nan 8.310 nan 0.000 0.418 255 M N 2.776 122.371 119.600 -0.009 0.000 3.088 255 M HA -0.187 4.293 4.480 0.001 0.000 0.427 255 M C -0.731 175.580 176.300 0.019 0.000 1.422 255 M CA 0.564 55.876 55.300 0.020 0.000 0.854 255 M CB -0.511 32.130 32.600 0.069 0.000 1.609 255 M HN 0.246 nan 8.290 nan 0.000 0.445 256 D N 5.573 125.981 120.400 0.012 0.000 2.343 256 D HA 0.055 4.695 4.640 0.001 0.000 0.255 256 D C 1.145 177.453 176.300 0.013 0.000 1.187 256 D CA -0.256 53.751 54.000 0.011 0.000 0.875 256 D CB 0.846 41.651 40.800 0.008 0.000 1.136 256 D HN 0.601 nan 8.370 nan 0.000 0.469 257 M N 3.070 122.677 119.600 0.012 0.000 2.446 257 M HA -0.128 4.353 4.480 0.001 0.000 0.263 257 M C 0.855 177.157 176.300 0.002 0.000 1.066 257 M CA 0.940 56.246 55.300 0.009 0.000 1.087 257 M CB -0.375 32.229 32.600 0.007 0.000 1.406 257 M HN 0.406 nan 8.290 nan 0.000 0.459 258 N N 0.090 118.791 118.700 0.002 0.000 2.282 258 N HA 0.050 4.790 4.740 0.001 0.000 0.185 258 N C -0.145 175.364 175.510 -0.002 0.000 1.099 258 N CA 0.220 53.269 53.050 -0.002 0.000 0.878 258 N CB 0.343 38.829 38.487 -0.002 0.000 0.993 258 N HN 0.349 nan 8.380 nan 0.000 0.481 259 N N 1.849 120.549 118.700 0.000 0.000 2.791 259 N HA 0.214 4.955 4.740 0.001 0.000 0.265 259 N C -2.817 172.689 175.510 -0.007 0.000 1.580 259 N CA -0.712 52.337 53.050 -0.002 0.000 0.809 259 N CB 2.008 40.498 38.487 0.004 0.000 1.178 259 N HN 0.098 nan 8.380 nan 0.000 0.499 260 P HA 0.150 nan 4.420 nan 0.000 0.276 260 P C -0.123 177.145 177.300 -0.053 0.000 1.230 260 P CA 0.098 63.193 63.100 -0.009 0.000 0.776 260 P CB 1.410 33.110 31.700 -0.000 0.000 0.888 261 Q N 0.975 120.719 119.800 -0.094 0.000 2.140 261 Q HA 0.161 4.501 4.340 0.001 0.000 0.227 261 Q C -0.351 175.478 176.000 -0.286 0.000 0.798 261 Q CA -0.071 55.558 55.803 -0.289 0.000 0.987 261 Q CB 0.792 29.223 28.738 -0.512 0.000 1.161 261 Q HN 0.612 nan 8.270 nan 0.000 0.480 262 D N -2.246 118.130 120.400 -0.040 0.000 2.713 262 D HA 0.002 4.642 4.640 0.001 0.000 0.306 262 D C -0.148 176.269 176.300 0.194 0.000 1.299 262 D CA -0.801 53.252 54.000 0.088 0.000 0.823 262 D CB -0.232 40.690 40.800 0.203 0.000 1.353 262 D HN -0.148 nan 8.370 nan 0.000 0.447 263 F N 0.276 120.280 119.950 0.091 0.000 2.171 263 F HA 0.072 4.600 4.527 0.001 0.000 0.300 263 F C 1.849 177.808 175.800 0.264 0.000 1.090 263 F CA 1.381 59.469 58.000 0.147 0.000 1.293 263 F CB -0.105 38.941 39.000 0.076 0.000 1.013 263 F HN 0.358 nan 8.300 nan 0.000 0.486 264 I N -0.040 120.757 120.570 0.377 0.000 2.179 264 I HA -0.305 3.865 4.170 0.001 0.000 0.242 264 I C 2.036 178.316 176.117 0.271 0.000 1.088 264 I CA 1.477 62.932 61.300 0.258 0.000 1.357 264 I CB -0.606 37.396 38.000 0.004 0.000 1.051 264 I HN 0.055 nan 8.210 nan 0.000 0.409 265 D N 0.585 121.167 120.400 0.304 0.000 2.123 265 D HA -0.168 4.473 4.640 0.001 0.000 0.196 265 D C 2.292 178.679 176.300 0.146 0.000 0.992 265 D CA 1.378 55.508 54.000 0.217 0.000 0.833 265 D CB -0.425 40.466 40.800 0.152 0.000 0.954 265 D HN 0.388 nan 8.370 nan 0.000 0.455 266 C N 0.103 119.486 119.300 0.139 0.000 2.435 266 C HA -0.081 4.380 4.460 0.001 0.000 0.279 266 C C 2.508 177.609 174.990 0.186 0.000 1.321 266 C CA -0.167 58.940 59.018 0.148 0.000 1.752 266 C CB -1.276 26.524 27.740 0.100 0.000 1.959 266 C HN 0.251 nan 8.230 nan 0.000 0.500 267 F N 0.710 120.663 119.950 0.006 0.000 2.128 267 F HA -0.049 4.478 4.527 0.001 0.000 0.295 267 F C 2.127 177.810 175.800 -0.195 0.000 1.100 267 F CA 1.143 58.976 58.000 -0.280 0.000 1.260 267 F CB -0.251 38.648 39.000 -0.169 0.000 1.009 267 F HN -0.005 nan 8.300 nan 0.000 0.476 268 L N 0.677 122.033 121.223 0.222 0.000 2.079 268 L HA -0.245 4.095 4.340 0.001 0.000 0.210 268 L C 2.383 179.261 176.870 0.012 0.000 1.081 268 L CA 2.262 57.188 54.840 0.144 0.000 0.752 268 L CB -1.123 41.025 42.059 0.150 0.000 0.896 268 L HN 0.418 nan 8.230 nan 0.000 0.433 269 M N -2.780 116.805 119.600 -0.025 0.000 2.541 269 M HA -0.014 4.466 4.480 0.001 0.000 0.252 269 M C 1.856 178.057 176.300 -0.165 0.000 1.125 269 M CA 1.053 56.316 55.300 -0.062 0.000 1.091 269 M CB -0.116 32.469 32.600 -0.025 0.000 1.420 269 M HN -0.091 nan 8.290 nan 0.000 0.486 270 K N 1.526 121.733 120.400 -0.322 0.000 2.288 270 K HA 0.127 4.448 4.320 0.001 0.000 0.201 270 K C 1.544 177.826 176.600 -0.532 0.000 1.048 270 K CA 1.443 57.380 56.287 -0.584 0.000 0.956 270 K CB -0.297 31.489 32.500 -1.190 0.000 0.746 270 K HN 0.508 nan 8.250 nan 0.000 0.461 271 M N -0.293 119.100 119.600 -0.345 0.000 2.419 271 M HA -0.021 4.459 4.480 0.001 0.000 0.264 271 M C 1.580 177.834 176.300 -0.077 0.000 1.082 271 M CA 0.986 56.189 55.300 -0.161 0.000 1.119 271 M CB 0.030 32.614 32.600 -0.026 0.000 1.398 271 M HN 0.060 nan 8.290 nan 0.000 0.453 272 E N 1.288 121.443 120.200 -0.075 0.000 2.028 272 E HA -0.007 4.343 4.350 0.001 0.000 0.191 272 E C 0.299 176.897 176.600 -0.002 0.000 0.988 272 E CA 1.089 57.477 56.400 -0.020 0.000 0.799 272 E CB 0.149 29.839 29.700 -0.017 0.000 0.755 272 E HN 0.262 nan 8.360 nan 0.000 0.447 273 K N 0.706 121.062 120.400 -0.074 0.000 2.285 273 K HA -0.063 4.257 4.320 0.001 0.000 0.255 273 K C 0.257 176.803 176.600 -0.090 0.000 1.000 273 K CA 0.739 56.962 56.287 -0.106 0.000 0.887 273 K CB 0.201 32.598 32.500 -0.171 0.000 0.997 273 K HN 0.080 nan 8.250 nan 0.000 0.510 274 E N -0.797 119.351 120.200 -0.087 0.000 3.799 274 E HA -0.317 4.034 4.350 0.001 0.000 0.320 274 E C 0.882 177.534 176.600 0.086 0.000 0.760 274 E CA 1.437 57.824 56.400 -0.021 0.000 1.153 274 E CB -0.961 28.709 29.700 -0.051 0.000 1.589 274 E HN 0.655 nan 8.360 nan 0.000 0.448 275 K N 0.232 120.746 120.400 0.189 0.000 2.366 275 K HA -0.082 4.238 4.320 0.001 0.000 0.198 275 K C 1.661 178.376 176.600 0.192 0.000 1.044 275 K CA 1.281 57.668 56.287 0.167 0.000 0.973 275 K CB 0.040 32.595 32.500 0.092 0.000 0.767 275 K HN 0.226 nan 8.250 nan 0.000 0.475 276 H N -0.571 118.489 119.070 -0.015 0.000 2.448 276 H HA 0.064 4.620 4.556 0.001 0.000 0.292 276 H C 0.026 175.351 175.328 -0.005 0.000 1.035 276 H CA 0.622 56.664 56.048 -0.010 0.000 1.349 276 H CB -0.269 29.486 29.762 -0.013 0.000 1.425 276 H HN 0.126 nan 8.280 nan 0.000 0.539 277 N N 1.953 120.734 118.700 0.134 0.000 3.034 277 N HA 0.029 4.769 4.740 0.001 0.000 0.265 277 N C 0.820 176.367 175.510 0.061 0.000 1.166 277 N CA -0.097 52.995 53.050 0.070 0.000 1.081 277 N CB 0.818 39.329 38.487 0.040 0.000 1.378 277 N HN 0.134 nan 8.380 nan 0.000 0.520 278 Q N 0.938 120.770 119.800 0.053 0.000 2.451 278 Q HA 0.123 4.464 4.340 0.001 0.000 0.206 278 Q C -1.455 174.568 176.000 0.038 0.000 0.947 278 Q CA -0.030 55.799 55.803 0.043 0.000 0.937 278 Q CB -0.435 28.321 28.738 0.030 0.000 1.025 278 Q HN 0.366 nan 8.270 nan 0.000 0.511 279 P HA 0.161 nan 4.420 nan 0.000 0.230 279 P C -1.082 176.242 177.300 0.041 0.000 1.791 279 P CA 0.007 63.128 63.100 0.034 0.000 1.020 279 P CB 0.368 32.085 31.700 0.029 0.000 1.977 280 S N 0.555 116.286 115.700 0.052 0.000 2.585 280 S HA 0.168 4.639 4.470 0.001 0.000 0.277 280 S C 1.260 175.889 174.600 0.048 0.000 1.241 280 S CA -0.429 57.814 58.200 0.071 0.000 1.041 280 S CB 1.191 64.452 63.200 0.102 0.000 0.987 280 S HN 0.073 nan 8.310 nan 0.000 0.512 281 E N 2.127 122.330 120.200 0.004 0.000 2.274 281 E HA 0.138 4.489 4.350 0.001 0.000 0.194 281 E C -0.640 175.793 176.600 -0.277 0.000 0.996 281 E CA 0.751 57.046 56.400 -0.174 0.000 0.840 281 E CB -0.007 29.473 29.700 -0.367 0.000 0.772 281 E HN 0.610 nan 8.360 nan 0.000 0.491 282 F N 0.757 120.669 119.950 -0.063 0.000 2.335 282 F HA 0.280 4.808 4.527 0.001 0.000 0.365 282 F C 0.623 176.477 175.800 0.090 0.000 1.122 282 F CA -0.508 57.433 58.000 -0.097 0.000 1.151 282 F CB 0.702 39.357 39.000 -0.575 0.000 1.282 282 F HN -0.258 nan 8.300 nan 0.000 0.513 283 T N -0.473 114.287 114.554 0.343 0.000 2.888 283 T HA 0.449 4.800 4.350 0.001 0.000 0.288 283 T C 1.130 175.979 174.700 0.248 0.000 1.063 283 T CA -0.859 61.393 62.100 0.253 0.000 1.010 283 T CB 1.360 70.307 68.868 0.131 0.000 1.214 283 T HN 0.189 nan 8.240 nan 0.000 0.533 284 I N 0.444 121.097 120.570 0.139 0.000 2.335 284 I HA -0.112 4.058 4.170 0.001 0.000 0.251 284 I C 2.472 178.593 176.117 0.006 0.000 1.129 284 I CA 1.469 62.801 61.300 0.052 0.000 1.402 284 I CB -1.281 36.742 38.000 0.038 0.000 1.069 284 I HN 0.847 nan 8.210 nan 0.000 0.424 285 E N 0.885 121.105 120.200 0.032 0.000 2.017 285 E HA -0.183 4.168 4.350 0.001 0.000 0.193 285 E C 2.325 178.937 176.600 0.019 0.000 0.997 285 E CA 1.870 58.280 56.400 0.017 0.000 0.804 285 E CB 0.128 29.839 29.700 0.018 0.000 0.757 285 E HN 0.371 nan 8.360 nan 0.000 0.448 286 S N 1.053 116.792 115.700 0.065 0.000 2.380 286 S HA -0.224 4.246 4.470 0.001 0.000 0.229 286 S C 1.872 176.467 174.600 -0.008 0.000 1.043 286 S CA 1.225 59.486 58.200 0.102 0.000 1.038 286 S CB -0.355 62.987 63.200 0.237 0.000 0.872 286 S HN 0.214 nan 8.310 nan 0.000 0.456 287 L N 1.859 122.915 121.223 -0.279 0.000 2.027 287 L HA -0.030 4.310 4.340 0.001 0.000 0.206 287 L C 2.062 178.804 176.870 -0.213 0.000 1.074 287 L CA 1.782 56.201 54.840 -0.702 0.000 0.745 287 L CB -0.970 40.505 42.059 -0.974 0.000 0.898 287 L HN 0.235 nan 8.230 nan 0.000 0.433 288 E N -0.184 119.956 120.200 -0.100 0.000 2.058 288 E HA -0.256 4.094 4.350 0.001 0.000 0.194 288 E C 1.950 178.578 176.600 0.047 0.000 0.997 288 E CA 1.827 58.226 56.400 -0.003 0.000 0.801 288 E CB -0.261 29.441 29.700 0.003 0.000 0.746 288 E HN 0.683 nan 8.360 nan 0.000 0.450 289 N N -0.314 118.414 118.700 0.047 0.000 2.084 289 N HA -0.123 4.618 4.740 0.001 0.000 0.190 289 N C 1.805 177.389 175.510 0.123 0.000 1.030 289 N CA 1.599 54.706 53.050 0.094 0.000 0.849 289 N CB -0.079 38.469 38.487 0.102 0.000 1.012 289 N HN 0.018 nan 8.380 nan 0.000 0.423 290 T N 0.214 114.838 114.554 0.117 0.000 2.881 290 T HA -0.047 4.303 4.350 0.001 0.000 0.270 290 T C 1.907 176.635 174.700 0.047 0.000 1.068 290 T CA 1.056 63.241 62.100 0.142 0.000 1.131 290 T CB -0.178 68.858 68.868 0.280 0.000 0.871 290 T HN 0.330 nan 8.240 nan 0.000 0.479 291 A N 1.401 124.248 122.820 0.046 0.000 1.898 291 A HA 0.050 4.370 4.320 0.001 0.000 0.214 291 A C 2.629 180.330 177.584 0.194 0.000 1.183 291 A CA 1.275 53.325 52.037 0.022 0.000 0.622 291 A CB -0.827 18.245 19.000 0.119 0.000 0.824 291 A HN 0.446 nan 8.150 nan 0.000 0.444 292 V N -1.392 118.666 119.914 0.241 0.000 2.407 292 V HA -0.215 3.905 4.120 0.001 0.000 0.248 292 V C 1.774 178.007 176.094 0.232 0.000 1.055 292 V CA 2.380 64.857 62.300 0.294 0.000 1.049 292 V CB -1.118 30.828 31.823 0.206 0.000 0.662 292 V HN 0.354 nan 8.190 nan 0.000 0.455 293 D N 0.879 121.374 120.400 0.158 0.000 2.133 293 D HA -0.142 4.499 4.640 0.001 0.000 0.195 293 D C 2.140 178.470 176.300 0.050 0.000 0.997 293 D CA 1.957 56.025 54.000 0.113 0.000 0.840 293 D CB -0.346 40.512 40.800 0.098 0.000 0.947 293 D HN 0.486 nan 8.370 nan 0.000 0.452 294 L N -0.666 120.539 121.223 -0.031 0.000 2.027 294 L HA -0.122 4.219 4.340 0.001 0.000 0.206 294 L C 2.357 179.133 176.870 -0.156 0.000 1.074 294 L CA 0.676 55.415 54.840 -0.168 0.000 0.745 294 L CB -0.440 41.381 42.059 -0.396 0.000 0.898 294 L HN -0.037 nan 8.230 nan 0.000 0.433 295 F N 0.458 120.394 119.950 -0.022 0.000 2.161 295 F HA -0.173 4.354 4.527 0.001 0.000 0.300 295 F C 2.425 178.247 175.800 0.038 0.000 1.089 295 F CA 1.586 59.600 58.000 0.023 0.000 1.282 295 F CB -1.037 38.001 39.000 0.063 0.000 1.010 295 F HN 0.030 nan 8.300 nan 0.000 0.485 296 G N -1.035 107.894 108.800 0.216 0.000 2.404 296 G HA2 -0.050 3.910 3.960 0.001 0.000 0.213 296 G HA3 -0.050 3.910 3.960 0.001 0.000 0.213 296 G C 1.861 176.824 174.900 0.104 0.000 1.189 296 G CA 0.635 45.830 45.100 0.158 0.000 0.796 296 G HN 0.426 nan 8.290 nan 0.000 0.532 297 A N 0.800 123.660 122.820 0.067 0.000 1.969 297 A HA 0.206 4.526 4.320 0.001 0.000 0.218 297 A C 2.614 180.223 177.584 0.043 0.000 1.169 297 A CA 1.931 53.992 52.037 0.040 0.000 0.635 297 A CB -0.869 18.136 19.000 0.009 0.000 0.810 297 A HN 0.514 nan 8.150 nan 0.000 0.445 298 G N -1.771 107.043 108.800 0.023 0.000 2.471 298 G HA2 0.032 3.993 3.960 0.001 0.000 0.219 298 G HA3 0.032 3.993 3.960 0.001 0.000 0.219 298 G C 1.372 176.309 174.900 0.061 0.000 1.125 298 G CA 1.610 46.716 45.100 0.011 0.000 0.775 298 G HN 0.450 nan 8.290 nan 0.000 0.548 299 T N -0.577 114.029 114.554 0.087 0.000 3.156 299 T HA 0.092 4.443 4.350 0.001 0.000 0.236 299 T C 2.099 176.852 174.700 0.088 0.000 0.978 299 T CA 0.554 62.716 62.100 0.103 0.000 1.240 299 T CB 0.030 68.978 68.868 0.133 0.000 0.951 299 T HN 0.045 nan 8.240 nan 0.000 0.420 300 E N 1.593 121.842 120.200 0.082 0.000 2.031 300 E HA -0.106 4.244 4.350 0.001 0.000 0.193 300 E C 2.308 178.955 176.600 0.077 0.000 0.994 300 E CA 1.655 58.099 56.400 0.074 0.000 0.800 300 E CB -0.687 29.057 29.700 0.074 0.000 0.752 300 E HN 0.422 nan 8.360 nan 0.000 0.447 301 T N 0.072 114.670 114.554 0.074 0.000 2.821 301 T HA -0.082 4.268 4.350 0.001 0.000 0.267 301 T C 1.887 176.634 174.700 0.078 0.000 1.046 301 T CA 1.798 63.936 62.100 0.064 0.000 1.139 301 T CB -0.496 68.397 68.868 0.041 0.000 0.871 301 T HN 0.197 nan 8.240 nan 0.000 0.454 302 T N 1.514 116.125 114.554 0.095 0.000 2.777 302 T HA -0.086 4.265 4.350 0.001 0.000 0.266 302 T C 2.325 177.103 174.700 0.131 0.000 1.040 302 T CA 1.387 63.559 62.100 0.120 0.000 1.141 302 T CB -0.420 68.528 68.868 0.133 0.000 0.868 302 T HN 0.387 nan 8.240 nan 0.000 0.444 303 S N 0.515 116.281 115.700 0.110 0.000 2.368 303 S HA -0.129 4.342 4.470 0.001 0.000 0.224 303 S C 2.242 176.903 174.600 0.102 0.000 1.029 303 S CA 1.697 59.953 58.200 0.092 0.000 0.988 303 S CB -0.770 62.464 63.200 0.056 0.000 0.838 303 S HN 0.511 nan 8.310 nan 0.000 0.462 304 T N 1.435 116.053 114.554 0.105 0.000 2.708 304 T HA -0.083 4.267 4.350 0.001 0.000 0.266 304 T C 1.929 176.738 174.700 0.181 0.000 1.037 304 T CA 1.923 64.100 62.100 0.128 0.000 1.146 304 T CB -0.997 67.945 68.868 0.124 0.000 0.865 304 T HN 0.484 nan 8.240 nan 0.000 0.435 305 T N 2.611 117.259 114.554 0.157 0.000 2.665 305 T HA -0.049 4.301 4.350 0.001 0.000 0.268 305 T C 1.981 176.789 174.700 0.179 0.000 1.035 305 T CA 1.070 63.265 62.100 0.158 0.000 1.151 305 T CB -0.578 68.348 68.868 0.097 0.000 0.862 305 T HN 0.251 nan 8.240 nan 0.000 0.438 306 L N 0.307 121.631 121.223 0.169 0.000 2.012 306 L HA -0.124 4.216 4.340 0.001 0.000 0.210 306 L C 2.923 179.903 176.870 0.183 0.000 1.073 306 L CA 1.497 56.442 54.840 0.175 0.000 0.748 306 L CB -0.526 41.637 42.059 0.173 0.000 0.891 306 L HN 0.159 nan 8.230 nan 0.000 0.431 307 R N -0.778 119.831 120.500 0.181 0.000 2.081 307 R HA -0.206 4.134 4.340 0.001 0.000 0.235 307 R C 2.363 178.801 176.300 0.231 0.000 1.131 307 R CA 1.626 57.851 56.100 0.208 0.000 0.960 307 R CB -0.320 30.069 30.300 0.148 0.000 0.856 307 R HN 0.352 nan 8.270 nan 0.000 0.436 308 Y N -0.028 120.329 120.300 0.095 0.000 2.314 308 Y HA -0.158 4.392 4.550 0.001 0.000 0.293 308 Y C 2.305 178.176 175.900 -0.048 0.000 1.129 308 Y CA 0.686 58.800 58.100 0.023 0.000 1.201 308 Y CB 0.080 38.569 38.460 0.049 0.000 0.999 308 Y HN 0.241 nan 8.280 nan 0.000 0.541 309 A N 0.247 123.179 122.820 0.187 0.000 1.883 309 A HA -0.214 4.106 4.320 0.001 0.000 0.217 309 A C 2.077 179.677 177.584 0.027 0.000 1.186 309 A CA 1.736 53.816 52.037 0.072 0.000 0.624 309 A CB -1.036 18.026 19.000 0.103 0.000 0.822 309 A HN 0.517 nan 8.150 nan 0.000 0.444 310 L N -1.103 120.169 121.223 0.081 0.000 2.156 310 L HA -0.102 4.238 4.340 0.001 0.000 0.208 310 L C 2.487 179.290 176.870 -0.110 0.000 1.095 310 L CA 0.677 55.554 54.840 0.061 0.000 0.770 310 L CB -0.515 41.663 42.059 0.199 0.000 0.914 310 L HN 0.435 nan 8.230 nan 0.000 0.439 311 L N 0.144 121.203 121.223 -0.274 0.000 2.046 311 L HA -0.174 4.167 4.340 0.001 0.000 0.208 311 L C 2.251 178.929 176.870 -0.321 0.000 1.077 311 L CA 1.765 56.241 54.840 -0.607 0.000 0.747 311 L CB -0.408 41.219 42.059 -0.719 0.000 0.896 311 L HN 0.111 nan 8.230 nan 0.000 0.432 312 L N -1.390 119.692 121.223 -0.236 0.000 2.156 312 L HA -0.165 4.176 4.340 0.001 0.000 0.208 312 L C 2.341 179.095 176.870 -0.193 0.000 1.095 312 L CA 0.818 55.457 54.840 -0.336 0.000 0.770 312 L CB -0.355 41.237 42.059 -0.779 0.000 0.914 312 L HN 0.286 nan 8.230 nan 0.000 0.439 313 L N -1.038 120.107 121.223 -0.130 0.000 2.240 313 L HA -0.123 4.217 4.340 0.001 0.000 0.211 313 L C 2.322 179.179 176.870 -0.023 0.000 1.106 313 L CA 0.557 55.386 54.840 -0.017 0.000 0.793 313 L CB -0.197 41.876 42.059 0.023 0.000 0.927 313 L HN 0.251 nan 8.230 nan 0.000 0.446 314 L N 0.009 121.176 121.223 -0.094 0.000 2.027 314 L HA -0.210 4.130 4.340 0.001 0.000 0.206 314 L C 2.637 179.432 176.870 -0.125 0.000 1.074 314 L CA 1.371 56.144 54.840 -0.111 0.000 0.745 314 L CB -0.328 41.629 42.059 -0.169 0.000 0.898 314 L HN 0.218 nan 8.230 nan 0.000 0.433 315 K N -0.868 119.421 120.400 -0.185 0.000 2.211 315 K HA -0.105 4.215 4.320 0.001 0.000 0.203 315 K C 0.428 176.782 176.600 -0.410 0.000 1.050 315 K CA 0.942 57.044 56.287 -0.307 0.000 0.945 315 K CB 0.177 32.434 32.500 -0.404 0.000 0.732 315 K HN 0.344 nan 8.250 nan 0.000 0.451 316 H N 0.488 119.530 119.070 -0.048 0.000 2.360 316 H HA 0.149 4.705 4.556 0.001 0.000 0.233 316 H C -2.096 173.266 175.328 0.056 0.000 1.473 316 H CA -1.854 54.215 56.048 0.036 0.000 1.352 316 H CB 1.367 31.193 29.762 0.106 0.000 1.493 316 H HN 0.220 nan 8.280 nan 0.000 0.533 317 P HA -0.144 nan 4.420 nan 0.000 0.218 317 P C 1.161 178.529 177.300 0.114 0.000 1.149 317 P CA 0.979 64.129 63.100 0.083 0.000 0.817 317 P CB 0.660 32.384 31.700 0.040 0.000 0.785 318 E N -0.216 120.066 120.200 0.136 0.000 2.077 318 E HA -0.105 4.245 4.350 0.001 0.000 0.193 318 E C 2.128 178.835 176.600 0.178 0.000 0.989 318 E CA 1.052 57.534 56.400 0.136 0.000 0.800 318 E CB -0.518 29.268 29.700 0.144 0.000 0.746 318 E HN 0.020 nan 8.360 nan 0.000 0.452 319 V N 0.827 120.896 119.914 0.259 0.000 2.295 319 V HA -0.268 3.852 4.120 0.001 0.000 0.246 319 V C 2.281 178.565 176.094 0.316 0.000 1.049 319 V CA 2.144 64.657 62.300 0.356 0.000 1.024 319 V CB -0.737 31.306 31.823 0.368 0.000 0.648 319 V HN 0.339 nan 8.190 nan 0.000 0.447 320 T N 0.372 115.060 114.554 0.222 0.000 2.720 320 T HA -0.193 4.157 4.350 0.001 0.000 0.268 320 T C 2.030 176.815 174.700 0.141 0.000 1.037 320 T CA 1.720 63.923 62.100 0.170 0.000 1.144 320 T CB -0.406 68.536 68.868 0.123 0.000 0.864 320 T HN 0.585 nan 8.240 nan 0.000 0.444 321 A N 1.479 124.366 122.820 0.112 0.000 1.898 321 A HA -0.078 4.242 4.320 0.001 0.000 0.216 321 A C 2.263 179.873 177.584 0.044 0.000 1.181 321 A CA 1.397 53.475 52.037 0.069 0.000 0.620 321 A CB -0.372 18.658 19.000 0.050 0.000 0.819 321 A HN 0.425 nan 8.150 nan 0.000 0.442 322 K N -0.384 120.026 120.400 0.017 0.000 2.097 322 K HA -0.076 4.245 4.320 0.001 0.000 0.206 322 K C 1.852 178.451 176.600 -0.001 0.000 1.049 322 K CA 1.376 57.583 56.287 -0.133 0.000 0.933 322 K CB -0.349 31.817 32.500 -0.556 0.000 0.717 322 K HN 0.310 nan 8.250 nan 0.000 0.442 323 V N 1.503 121.539 119.914 0.202 0.000 2.407 323 V HA -0.269 3.851 4.120 0.001 0.000 0.248 323 V C 2.190 178.359 176.094 0.124 0.000 1.055 323 V CA 1.709 64.151 62.300 0.237 0.000 1.049 323 V CB -0.419 31.544 31.823 0.233 0.000 0.662 323 V HN 0.358 nan 8.190 nan 0.000 0.455 324 Q N -0.663 119.193 119.800 0.093 0.000 2.167 324 Q HA -0.197 4.143 4.340 0.001 0.000 0.202 324 Q C 2.280 178.307 176.000 0.046 0.000 0.970 324 Q CA 1.438 57.279 55.803 0.063 0.000 0.855 324 Q CB -0.048 28.724 28.738 0.058 0.000 0.911 324 Q HN 0.705 nan 8.270 nan 0.000 0.438 325 E N 0.610 120.830 120.200 0.034 0.000 2.031 325 E HA -0.205 4.145 4.350 0.001 0.000 0.193 325 E C 1.865 178.486 176.600 0.035 0.000 0.994 325 E CA 1.017 57.429 56.400 0.019 0.000 0.800 325 E CB 0.026 29.719 29.700 -0.010 0.000 0.752 325 E HN 0.326 nan 8.360 nan 0.000 0.447 326 E N 0.407 120.639 120.200 0.053 0.000 2.114 326 E HA -0.241 4.110 4.350 0.001 0.000 0.199 326 E C 2.169 178.819 176.600 0.083 0.000 1.008 326 E CA 1.142 57.593 56.400 0.085 0.000 0.810 326 E CB -0.202 29.581 29.700 0.137 0.000 0.739 326 E HN 0.318 nan 8.360 nan 0.000 0.456 327 I N 1.047 121.658 120.570 0.069 0.000 2.202 327 I HA -0.220 3.950 4.170 0.001 0.000 0.242 327 I C 2.458 178.599 176.117 0.041 0.000 1.091 327 I CA 0.875 62.206 61.300 0.051 0.000 1.368 327 I CB -0.208 37.809 38.000 0.028 0.000 1.058 327 I HN 0.001 nan 8.210 nan 0.000 0.410 328 E N 0.571 120.791 120.200 0.033 0.000 2.160 328 E HA -0.263 4.088 4.350 0.001 0.000 0.195 328 E C 2.220 178.836 176.600 0.027 0.000 0.991 328 E CA 1.266 57.680 56.400 0.024 0.000 0.810 328 E CB -0.140 29.572 29.700 0.019 0.000 0.742 328 E HN 0.441 nan 8.360 nan 0.000 0.466 329 R N -0.005 120.516 120.500 0.034 0.000 2.075 329 R HA -0.004 4.336 4.340 0.001 0.000 0.220 329 R C 2.292 178.616 176.300 0.040 0.000 1.118 329 R CA 0.645 56.764 56.100 0.031 0.000 0.986 329 R CB 0.180 30.498 30.300 0.030 0.000 0.884 329 R HN -0.054 nan 8.270 nan 0.000 0.439 330 V N 0.954 120.906 119.914 0.064 0.000 2.535 330 V HA 0.068 4.189 4.120 0.001 0.000 0.246 330 V C 1.096 177.240 176.094 0.084 0.000 1.045 330 V CA 1.009 63.361 62.300 0.087 0.000 1.058 330 V CB 0.000 31.909 31.823 0.143 0.000 0.689 330 V HN 0.167 nan 8.190 nan 0.000 0.461 331 I N -0.443 120.171 120.570 0.072 0.000 2.562 331 I HA 0.577 4.747 4.170 0.001 0.000 0.301 331 I C 1.040 177.178 176.117 0.036 0.000 1.003 331 I CA -0.336 60.998 61.300 0.058 0.000 1.127 331 I CB 1.464 39.499 38.000 0.057 0.000 1.304 331 I HN 0.144 nan 8.210 nan 0.000 0.446 332 G N 2.953 111.769 108.800 0.027 0.000 2.486 332 G HA2 0.145 4.105 3.960 0.001 0.000 0.272 332 G HA3 0.145 4.105 3.960 0.001 0.000 0.272 332 G C 0.649 175.553 174.900 0.007 0.000 1.426 332 G CA -0.236 44.873 45.100 0.015 0.000 1.058 332 G HN 0.647 nan 8.290 nan 0.000 0.531 333 R N -0.899 119.600 120.500 -0.001 0.000 2.210 333 R HA 0.040 4.381 4.340 0.001 0.000 0.203 333 R C 2.255 178.545 176.300 -0.016 0.000 1.010 333 R CA 0.526 56.617 56.100 -0.014 0.000 1.008 333 R CB -0.130 30.159 30.300 -0.019 0.000 0.923 333 R HN 0.583 nan 8.270 nan 0.000 0.469 334 N N 0.665 119.361 118.700 -0.007 0.000 2.085 334 N HA -0.101 4.639 4.740 0.001 0.000 0.191 334 N C 0.410 175.918 175.510 -0.002 0.000 1.058 334 N CA 0.636 53.683 53.050 -0.006 0.000 0.849 334 N CB -0.070 38.416 38.487 -0.000 0.000 1.038 334 N HN 0.118 nan 8.380 nan 0.000 0.434 335 R N 1.442 121.946 120.500 0.007 0.000 2.641 335 R HA 0.267 4.607 4.340 0.001 0.000 0.269 335 R C -0.141 176.169 176.300 0.016 0.000 1.074 335 R CA -0.505 55.603 56.100 0.014 0.000 1.133 335 R CB 0.553 30.867 30.300 0.023 0.000 1.029 335 R HN 0.081 nan 8.270 nan 0.000 0.488 336 S N 1.723 117.435 115.700 0.020 0.000 2.601 336 S HA 0.377 4.848 4.470 0.001 0.000 0.271 336 S C -2.130 172.494 174.600 0.039 0.000 1.305 336 S CA -1.276 56.939 58.200 0.024 0.000 1.022 336 S CB 0.985 64.201 63.200 0.027 0.000 0.940 336 S HN 0.563 nan 8.310 nan 0.000 0.525 337 P HA 0.385 nan 4.420 nan 0.000 0.272 337 P C -0.526 176.835 177.300 0.102 0.000 1.240 337 P CA -0.594 62.548 63.100 0.071 0.000 0.791 337 P CB 0.240 31.950 31.700 0.016 0.000 0.978 338 C N 0.179 119.574 119.300 0.157 0.000 3.318 338 C HA 0.445 4.905 4.460 0.001 0.000 0.322 338 C C 1.419 176.496 174.990 0.146 0.000 1.398 338 C CA -0.735 58.359 59.018 0.128 0.000 1.339 338 C CB 0.323 28.106 27.740 0.071 0.000 1.668 338 C HN 0.366 nan 8.230 nan 0.000 0.462 339 M N 0.819 120.440 119.600 0.034 0.000 2.213 339 M HA -0.097 4.384 4.480 0.001 0.000 0.263 339 M C 2.062 178.249 176.300 -0.189 0.000 1.062 339 M CA 1.648 56.877 55.300 -0.118 0.000 1.105 339 M CB -1.510 31.014 32.600 -0.126 0.000 1.385 339 M HN 0.913 nan 8.290 nan 0.000 0.417 340 Q N 0.175 119.919 119.800 -0.093 0.000 2.234 340 Q HA -0.179 4.162 4.340 0.001 0.000 0.206 340 Q C 1.159 177.055 176.000 -0.173 0.000 0.980 340 Q CA 1.103 56.834 55.803 -0.120 0.000 0.869 340 Q CB -0.022 28.694 28.738 -0.038 0.000 0.912 340 Q HN 0.505 nan 8.270 nan 0.000 0.436 341 D N -0.346 120.021 120.400 -0.055 0.000 2.350 341 D HA -0.135 4.505 4.640 0.001 0.000 0.216 341 D C 1.548 177.812 176.300 -0.061 0.000 0.968 341 D CA 0.674 54.691 54.000 0.027 0.000 0.894 341 D CB -0.060 40.868 40.800 0.213 0.000 0.909 341 D HN 0.225 nan 8.370 nan 0.000 0.520 342 R N 0.996 121.296 120.500 -0.334 0.000 2.093 342 R HA -0.096 4.245 4.340 0.001 0.000 0.224 342 R C 2.254 178.359 176.300 -0.324 0.000 1.101 342 R CA 1.266 57.063 56.100 -0.504 0.000 0.979 342 R CB 0.065 29.678 30.300 -1.144 0.000 0.877 342 R HN 0.111 nan 8.270 nan 0.000 0.441 343 S N 0.128 115.603 115.700 -0.375 0.000 2.387 343 S HA -0.190 4.280 4.470 0.001 0.000 0.230 343 S C 1.306 175.793 174.600 -0.188 0.000 1.035 343 S CA 1.246 59.254 58.200 -0.321 0.000 1.014 343 S CB -0.545 62.411 63.200 -0.407 0.000 0.836 343 S HN 0.489 nan 8.310 nan 0.000 0.466 344 H N 0.342 119.407 119.070 -0.008 0.000 2.533 344 H HA 0.434 4.991 4.556 0.001 0.000 0.271 344 H C 0.164 175.531 175.328 0.064 0.000 1.000 344 H CA 0.189 56.255 56.048 0.030 0.000 1.149 344 H CB -0.322 29.460 29.762 0.034 0.000 1.375 344 H HN 0.497 nan 8.280 nan 0.000 0.582 345 M N 1.693 121.373 119.600 0.133 0.000 2.952 345 M HA 0.164 4.644 4.480 0.001 0.000 0.259 345 M C -1.859 174.535 176.300 0.155 0.000 1.306 345 M CA -1.419 53.987 55.300 0.177 0.000 0.626 345 M CB 2.102 34.855 32.600 0.255 0.000 1.423 345 M HN -0.119 nan 8.290 nan 0.000 0.459 346 P HA -0.194 nan 4.420 nan 0.000 0.219 346 P C 1.162 178.591 177.300 0.215 0.000 1.150 346 P CA 1.406 64.607 63.100 0.168 0.000 0.814 346 P CB 0.103 31.918 31.700 0.191 0.000 0.787 347 Y N 1.541 121.900 120.300 0.098 0.000 2.145 347 Y HA -0.170 4.381 4.550 0.001 0.000 0.286 347 Y C 2.432 178.386 175.900 0.091 0.000 1.145 347 Y CA 2.351 60.490 58.100 0.066 0.000 1.148 347 Y CB -1.145 37.341 38.460 0.042 0.000 0.981 347 Y HN -0.103 nan 8.280 nan 0.000 0.507 348 T N -0.019 114.659 114.554 0.207 0.000 2.652 348 T HA -0.232 4.119 4.350 0.001 0.000 0.267 348 T C 1.564 176.334 174.700 0.116 0.000 1.039 348 T CA 1.644 63.834 62.100 0.150 0.000 1.153 348 T CB -0.566 68.439 68.868 0.228 0.000 0.863 348 T HN 0.364 nan 8.240 nan 0.000 0.428 349 D N 1.033 121.508 120.400 0.125 0.000 2.149 349 D HA -0.111 4.529 4.640 0.001 0.000 0.194 349 D C 2.223 178.588 176.300 0.109 0.000 1.001 349 D CA 1.421 55.432 54.000 0.019 0.000 0.849 349 D CB -0.339 40.281 40.800 -0.299 0.000 0.939 349 D HN 0.405 nan 8.370 nan 0.000 0.449 350 A N -0.151 122.738 122.820 0.115 0.000 1.930 350 A HA -0.084 4.236 4.320 0.001 0.000 0.217 350 A C 2.610 180.123 177.584 -0.118 0.000 1.175 350 A CA 1.282 53.359 52.037 0.066 0.000 0.627 350 A CB -0.630 18.339 19.000 -0.052 0.000 0.815 350 A HN 0.191 nan 8.150 nan 0.000 0.443 351 V N -0.335 119.456 119.914 -0.205 0.000 2.343 351 V HA -0.222 3.899 4.120 0.001 0.000 0.247 351 V C 2.563 178.668 176.094 0.018 0.000 1.051 351 V CA 2.003 64.225 62.300 -0.129 0.000 1.036 351 V CB -0.627 31.146 31.823 -0.083 0.000 0.654 351 V HN 0.377 nan 8.190 nan 0.000 0.451 352 V N -0.800 119.132 119.914 0.030 0.000 2.307 352 V HA -0.232 3.889 4.120 0.001 0.000 0.245 352 V C 2.374 178.441 176.094 -0.045 0.000 1.045 352 V CA 1.888 64.207 62.300 0.033 0.000 1.024 352 V CB -0.856 31.000 31.823 0.055 0.000 0.651 352 V HN 0.605 nan 8.190 nan 0.000 0.449 353 H N -0.254 118.677 119.070 -0.233 0.000 2.352 353 H HA -0.195 4.362 4.556 0.001 0.000 0.299 353 H C 2.451 177.534 175.328 -0.409 0.000 1.097 353 H CA 2.114 57.841 56.048 -0.534 0.000 1.311 353 H CB 0.155 29.123 29.762 -1.324 0.000 1.377 353 H HN 0.445 nan 8.280 nan 0.000 0.504 354 E N 0.872 120.951 120.200 -0.201 0.000 2.150 354 E HA -0.084 4.266 4.350 0.001 0.000 0.193 354 E C 2.353 179.027 176.600 0.123 0.000 0.985 354 E CA 0.610 56.986 56.400 -0.041 0.000 0.814 354 E CB -0.193 29.339 29.700 -0.280 0.000 0.752 354 E HN 0.089 nan 8.360 nan 0.000 0.466 355 V N 0.999 121.045 119.914 0.220 0.000 2.233 355 V HA -0.323 3.797 4.120 0.001 0.000 0.247 355 V C 2.432 178.583 176.094 0.096 0.000 1.050 355 V CA 2.339 64.767 62.300 0.213 0.000 1.010 355 V CB -0.626 31.271 31.823 0.123 0.000 0.637 355 V HN 0.390 nan 8.190 nan 0.000 0.444 356 Q N -0.648 119.190 119.800 0.064 0.000 2.135 356 Q HA -0.259 4.081 4.340 0.001 0.000 0.204 356 Q C 2.497 178.489 176.000 -0.012 0.000 0.981 356 Q CA 1.698 57.498 55.803 -0.004 0.000 0.856 356 Q CB -0.295 28.434 28.738 -0.015 0.000 0.902 356 Q HN 0.519 nan 8.270 nan 0.000 0.425 357 R N -0.030 120.510 120.500 0.067 0.000 2.062 357 R HA -0.175 4.165 4.340 0.001 0.000 0.231 357 R C 2.244 178.488 176.300 -0.093 0.000 1.136 357 R CA 1.389 57.480 56.100 -0.015 0.000 0.948 357 R CB -0.380 29.928 30.300 0.014 0.000 0.845 357 R HN 0.279 nan 8.270 nan 0.000 0.430 358 Y N 2.186 122.387 120.300 -0.165 0.000 2.145 358 Y HA -0.204 4.347 4.550 0.001 0.000 0.286 358 Y C 2.102 177.996 175.900 -0.010 0.000 1.145 358 Y CA 2.096 60.129 58.100 -0.112 0.000 1.148 358 Y CB -0.302 38.154 38.460 -0.008 0.000 0.981 358 Y HN 0.204 nan 8.280 nan 0.000 0.507 359 I N -1.591 119.004 120.570 0.042 0.000 2.546 359 I HA -0.082 4.088 4.170 0.001 0.000 0.255 359 I C 0.470 176.548 176.117 -0.065 0.000 1.163 359 I CA 1.371 62.570 61.300 -0.168 0.000 1.457 359 I CB -0.800 36.983 38.000 -0.361 0.000 1.092 359 I HN 0.221 nan 8.210 nan 0.000 0.434 360 D N 0.861 121.256 120.400 -0.009 0.000 3.038 360 D HA -0.209 4.431 4.640 0.001 0.000 0.229 360 D C 0.357 176.655 176.300 -0.003 0.000 1.182 360 D CA 0.359 54.366 54.000 0.013 0.000 0.852 360 D CB -0.702 40.143 40.800 0.076 0.000 0.932 360 D HN 0.373 nan 8.370 nan 0.000 0.406 361 L N 1.485 122.696 121.223 -0.020 0.000 2.162 361 L HA 0.241 4.582 4.340 0.001 0.000 0.205 361 L C 1.190 178.072 176.870 0.020 0.000 1.086 361 L CA 1.196 56.045 54.840 0.016 0.000 0.778 361 L CB 0.128 42.188 42.059 0.002 0.000 0.928 361 L HN 0.519 nan 8.230 nan 0.000 0.446 362 L N 0.296 121.511 121.223 -0.014 0.000 2.506 362 L HA 0.277 4.617 4.340 0.001 0.000 0.247 362 L C -1.571 175.296 176.870 -0.005 0.000 1.141 362 L CA -1.056 53.784 54.840 -0.000 0.000 0.973 362 L CB 0.722 42.767 42.059 -0.023 0.000 1.319 362 L HN -0.075 nan 8.230 nan 0.000 0.455 363 P HA -0.127 nan 4.420 nan 0.000 0.217 363 P C 0.495 177.805 177.300 0.017 0.000 1.148 363 P CA 1.168 64.281 63.100 0.023 0.000 0.828 363 P CB -0.091 31.635 31.700 0.043 0.000 0.783 364 T N -3.567 110.980 114.554 -0.011 0.000 2.842 364 T HA 0.467 4.818 4.350 0.001 0.000 0.308 364 T C 0.171 174.815 174.700 -0.094 0.000 1.041 364 T CA -0.795 61.265 62.100 -0.067 0.000 0.964 364 T CB 0.648 69.428 68.868 -0.147 0.000 0.972 364 T HN 0.007 nan 8.240 nan 0.000 0.460 365 S N 4.030 119.698 115.700 -0.052 0.000 2.555 365 S HA 0.076 4.547 4.470 0.001 0.000 0.264 365 S C 0.612 175.160 174.600 -0.088 0.000 1.378 365 S CA -0.524 57.651 58.200 -0.040 0.000 0.996 365 S CB -0.369 62.842 63.200 0.018 0.000 0.869 365 S HN 0.651 nan 8.310 nan 0.000 0.546 366 L N 2.903 124.068 121.223 -0.098 0.000 2.605 366 L HA 0.180 4.520 4.340 0.001 0.000 0.296 366 L C -1.879 174.883 176.870 -0.180 0.000 1.255 366 L CA -0.280 54.472 54.840 -0.148 0.000 0.879 366 L CB -0.838 41.110 42.059 -0.184 0.000 1.124 366 L HN 0.583 nan 8.230 nan 0.000 0.507 367 P HA 0.113 nan 4.420 nan 0.000 0.271 367 P C -0.559 176.590 177.300 -0.251 0.000 1.220 367 P CA 0.093 63.096 63.100 -0.161 0.000 0.768 367 P CB 0.435 32.032 31.700 -0.171 0.000 0.848 368 H N 1.039 120.007 119.070 -0.169 0.000 2.580 368 H HA 0.773 5.329 4.556 0.001 0.000 0.324 368 H C -0.256 174.963 175.328 -0.181 0.000 1.436 368 H CA -0.712 55.237 56.048 -0.165 0.000 1.464 368 H CB 1.662 31.369 29.762 -0.092 0.000 1.752 368 H HN 0.439 nan 8.280 nan 0.000 0.726 369 A N 0.789 123.583 122.820 -0.044 0.000 2.540 369 A HA 0.349 4.670 4.320 0.001 0.000 0.297 369 A C -0.610 176.867 177.584 -0.177 0.000 1.056 369 A CA -0.680 51.279 52.037 -0.131 0.000 0.700 369 A CB 0.755 19.645 19.000 -0.183 0.000 1.280 369 A HN 0.452 nan 8.150 nan 0.000 0.398 370 V N 0.570 120.328 119.914 -0.259 0.000 2.637 370 V HA 0.541 4.662 4.120 0.001 0.000 0.296 370 V C 0.794 176.728 176.094 -0.267 0.000 1.046 370 V CA 1.059 63.114 62.300 -0.408 0.000 1.066 370 V CB 1.041 32.542 31.823 -0.536 0.000 0.968 370 V HN 1.092 nan 8.190 nan 0.000 0.483 371 T N 3.393 117.797 114.554 -0.249 0.000 3.107 371 T HA 0.263 4.613 4.350 0.001 0.000 0.249 371 T C 0.255 174.882 174.700 -0.122 0.000 1.096 371 T CA 0.634 62.641 62.100 -0.155 0.000 1.012 371 T CB -0.945 67.854 68.868 -0.115 0.000 0.977 371 T HN 1.329 nan 8.240 nan 0.000 0.527 372 C N -0.656 118.556 119.300 -0.146 0.000 3.253 372 C HA 0.472 4.932 4.460 0.001 0.000 0.342 372 C C -1.427 173.496 174.990 -0.112 0.000 1.306 372 C CA -1.722 57.235 59.018 -0.102 0.000 1.207 372 C CB 0.519 28.215 27.740 -0.074 0.000 1.479 372 C HN 0.083 nan 8.230 nan 0.000 0.469 373 D N 1.388 121.746 120.400 -0.071 0.000 2.426 373 D HA 0.413 5.053 4.640 0.001 0.000 0.261 373 D C -0.221 176.049 176.300 -0.050 0.000 1.245 373 D CA 0.912 54.880 54.000 -0.054 0.000 0.917 373 D CB 0.511 41.296 40.800 -0.026 0.000 1.123 373 D HN 0.594 nan 8.370 nan 0.000 0.508 374 I N 1.956 122.489 120.570 -0.062 0.000 2.693 374 I HA 0.263 4.434 4.170 0.001 0.000 0.303 374 I C -0.253 175.894 176.117 0.050 0.000 1.025 374 I CA -0.916 60.369 61.300 -0.026 0.000 1.086 374 I CB 1.662 39.597 38.000 -0.108 0.000 1.268 374 I HN 0.038 nan 8.210 nan 0.000 0.440 375 K N 5.725 126.183 120.400 0.096 0.000 2.206 375 K HA 0.453 4.773 4.320 0.001 0.000 0.264 375 K C -1.960 174.789 176.600 0.248 0.000 0.967 375 K CA -0.457 55.914 56.287 0.141 0.000 0.844 375 K CB 0.970 33.519 32.500 0.082 0.000 1.099 375 K HN 0.502 nan 8.250 nan 0.000 0.441 376 F N 5.262 125.276 119.950 0.108 0.000 2.671 376 F HA 0.349 4.877 4.527 0.001 0.000 0.332 376 F C -0.508 175.387 175.800 0.158 0.000 1.189 376 F CA -0.554 57.533 58.000 0.146 0.000 0.988 376 F CB 0.869 40.003 39.000 0.224 0.000 1.258 376 F HN 0.704 nan 8.300 nan 0.000 0.471 377 R N 4.433 124.693 120.500 -0.399 0.000 3.422 377 R HA -0.325 4.015 4.340 0.001 0.000 0.267 377 R C 0.155 176.275 176.300 -0.299 0.000 1.074 377 R CA 0.939 56.836 56.100 -0.340 0.000 0.718 377 R CB -2.335 27.759 30.300 -0.343 0.000 1.157 377 R HN 1.050 nan 8.270 nan 0.000 0.440 378 N N -0.585 118.005 118.700 -0.184 0.000 2.686 378 N HA -0.255 4.485 4.740 0.001 0.000 0.261 378 N C -0.561 174.817 175.510 -0.220 0.000 1.001 378 N CA 1.182 54.125 53.050 -0.177 0.000 0.764 378 N CB -0.585 37.769 38.487 -0.222 0.000 0.898 378 N HN 0.677 nan 8.380 nan 0.000 0.544 379 Y N 0.498 120.837 120.300 0.066 0.000 2.610 379 Y HA 0.167 4.717 4.550 0.001 0.000 0.254 379 Y C 0.503 176.463 175.900 0.100 0.000 1.110 379 Y CA -0.123 58.033 58.100 0.093 0.000 1.238 379 Y CB 0.518 39.055 38.460 0.129 0.000 1.322 379 Y HN 0.353 nan 8.280 nan 0.000 0.547 380 L N -0.269 121.092 121.223 0.231 0.000 3.423 380 L HA -0.215 4.125 4.340 0.001 0.000 0.671 380 L C -1.848 175.092 176.870 0.117 0.000 1.083 380 L CA 0.490 55.416 54.840 0.144 0.000 1.201 380 L CB -2.123 40.005 42.059 0.115 0.000 1.578 380 L HN 0.073 nan 8.230 nan 0.000 0.839 381 I N 3.662 124.286 120.570 0.090 0.000 2.330 381 I HA 0.519 4.690 4.170 0.001 0.000 0.289 381 I C -1.741 174.361 176.117 -0.025 0.000 1.001 381 I CA -1.961 59.354 61.300 0.025 0.000 1.193 381 I CB 1.370 39.366 38.000 -0.005 0.000 1.345 381 I HN 0.278 nan 8.210 nan 0.000 0.461 382 P HA 0.078 nan 4.420 nan 0.000 0.275 382 P C -0.610 176.646 177.300 -0.073 0.000 1.228 382 P CA -0.625 62.453 63.100 -0.037 0.000 0.786 382 P CB 0.782 32.471 31.700 -0.017 0.000 0.927 383 K N 1.472 121.827 120.400 -0.074 0.000 2.524 383 K HA 0.126 4.446 4.320 0.001 0.000 0.279 383 K C 1.155 177.701 176.600 -0.089 0.000 0.993 383 K CA 1.127 57.358 56.287 -0.093 0.000 1.030 383 K CB -0.808 31.650 32.500 -0.071 0.000 0.891 383 K HN 0.793 nan 8.250 nan 0.000 0.488 384 G N 2.436 111.168 108.800 -0.113 0.000 2.225 384 G HA2 -0.260 3.700 3.960 0.001 0.000 0.254 384 G HA3 -0.260 3.700 3.960 0.001 0.000 0.254 384 G C 0.190 175.018 174.900 -0.120 0.000 0.988 384 G CA 0.399 45.432 45.100 -0.112 0.000 0.625 384 G HN 0.705 nan 8.290 nan 0.000 0.527 385 T N 2.562 117.046 114.554 -0.118 0.000 2.934 385 T HA 0.422 4.772 4.350 0.001 0.000 0.306 385 T C 0.825 175.446 174.700 -0.131 0.000 1.042 385 T CA 1.037 63.071 62.100 -0.111 0.000 1.145 385 T CB 0.897 69.705 68.868 -0.100 0.000 0.982 385 T HN 0.293 nan 8.240 nan 0.000 0.544 386 T N 4.952 119.425 114.554 -0.135 0.000 2.907 386 T HA 0.351 4.701 4.350 0.001 0.000 0.298 386 T C 0.196 174.837 174.700 -0.098 0.000 1.017 386 T CA -0.405 61.596 62.100 -0.165 0.000 1.118 386 T CB 0.167 68.880 68.868 -0.258 0.000 0.948 386 T HN 0.298 nan 8.240 nan 0.000 0.531 387 I N 3.822 124.349 120.570 -0.072 0.000 2.466 387 I HA 0.372 4.543 4.170 0.001 0.000 0.289 387 I C -0.362 175.743 176.117 -0.021 0.000 1.026 387 I CA -0.658 60.626 61.300 -0.027 0.000 1.078 387 I CB 1.568 39.597 38.000 0.048 0.000 1.249 387 I HN 0.456 nan 8.210 nan 0.000 0.429 388 L N 6.045 127.245 121.223 -0.039 0.000 2.287 388 L HA 0.495 4.836 4.340 0.001 0.000 0.287 388 L C -0.290 176.534 176.870 -0.077 0.000 1.022 388 L CA -0.757 54.059 54.840 -0.040 0.000 0.814 388 L CB 1.936 43.995 42.059 0.001 0.000 1.217 388 L HN 0.328 nan 8.230 nan 0.000 0.420 389 I N 2.368 122.896 120.570 -0.070 0.000 2.342 389 I HA 0.082 4.252 4.170 0.001 0.000 0.291 389 I C 0.702 176.787 176.117 -0.053 0.000 1.010 389 I CA 0.086 61.324 61.300 -0.103 0.000 1.308 389 I CB 1.569 39.492 38.000 -0.128 0.000 1.400 389 I HN 0.494 nan 8.210 nan 0.000 0.488 390 S N 6.872 122.552 115.700 -0.033 0.000 2.642 390 S HA 0.310 4.780 4.470 0.001 0.000 0.309 390 S C 1.287 175.889 174.600 0.003 0.000 1.125 390 S CA -0.610 57.606 58.200 0.027 0.000 1.055 390 S CB -0.038 63.244 63.200 0.138 0.000 1.157 390 S HN 0.516 nan 8.310 nan 0.000 0.513 391 L N 3.627 124.855 121.223 0.008 0.000 2.141 391 L HA -0.067 4.274 4.340 0.001 0.000 0.209 391 L C 2.553 179.466 176.870 0.072 0.000 1.094 391 L CA 1.101 55.954 54.840 0.021 0.000 0.763 391 L CB -1.003 41.053 42.059 -0.005 0.000 0.908 391 L HN 0.550 nan 8.230 nan 0.000 0.437 392 T N -0.477 114.123 114.554 0.075 0.000 2.759 392 T HA -0.181 4.170 4.350 0.001 0.000 0.269 392 T C 2.106 176.896 174.700 0.149 0.000 1.042 392 T CA 1.715 63.883 62.100 0.113 0.000 1.140 392 T CB -0.269 68.619 68.868 0.033 0.000 0.864 392 T HN 0.554 nan 8.240 nan 0.000 0.455 393 S N 0.973 116.699 115.700 0.042 0.000 2.423 393 S HA -0.038 4.432 4.470 0.001 0.000 0.231 393 S C 2.074 176.723 174.600 0.081 0.000 1.014 393 S CA 0.680 58.823 58.200 -0.095 0.000 0.965 393 S CB -0.622 62.147 63.200 -0.719 0.000 0.785 393 S HN 0.353 nan 8.310 nan 0.000 0.495 394 V N 0.893 120.904 119.914 0.161 0.000 2.426 394 V HA 0.132 4.252 4.120 0.001 0.000 0.242 394 V C 2.282 178.644 176.094 0.446 0.000 1.036 394 V CA 0.748 63.252 62.300 0.340 0.000 1.044 394 V CB -0.694 31.289 31.823 0.267 0.000 0.688 394 V HN 0.342 nan 8.190 nan 0.000 0.462 395 L N -0.336 121.076 121.223 0.314 0.000 2.362 395 L HA -0.020 4.321 4.340 0.001 0.000 0.219 395 L C 1.727 178.635 176.870 0.064 0.000 1.134 395 L CA 1.754 56.727 54.840 0.220 0.000 0.807 395 L CB -0.860 41.270 42.059 0.120 0.000 0.927 395 L HN 0.443 nan 8.230 nan 0.000 0.447 396 H N -2.131 117.061 119.070 0.203 0.000 2.510 396 H HA 0.164 4.720 4.556 0.001 0.000 0.266 396 H C -0.235 175.231 175.328 0.232 0.000 1.146 396 H CA -0.509 55.643 56.048 0.175 0.000 0.993 396 H CB 0.429 30.235 29.762 0.073 0.000 1.727 396 H HN 0.206 nan 8.280 nan 0.000 0.590 397 D N 0.639 121.250 120.400 0.352 0.000 2.531 397 D HA -0.075 4.565 4.640 0.001 0.000 0.239 397 D C 1.049 177.396 176.300 0.079 0.000 1.144 397 D CA 0.337 54.425 54.000 0.147 0.000 0.869 397 D CB 0.702 41.459 40.800 -0.072 0.000 1.160 397 D HN 0.279 nan 8.370 nan 0.000 0.484 398 N N 2.526 121.261 118.700 0.058 0.000 2.149 398 N HA -0.169 4.571 4.740 0.001 0.000 0.188 398 N C 1.277 176.745 175.510 -0.070 0.000 1.019 398 N CA 0.879 53.948 53.050 0.030 0.000 0.857 398 N CB 0.211 38.716 38.487 0.031 0.000 0.997 398 N HN 0.355 nan 8.380 nan 0.000 0.426 399 K N 0.787 121.095 120.400 -0.153 0.000 1.980 399 K HA -0.113 4.207 4.320 0.001 0.000 0.208 399 K C 1.967 178.338 176.600 -0.381 0.000 1.043 399 K CA 1.037 57.189 56.287 -0.225 0.000 0.938 399 K CB -0.492 31.879 32.500 -0.214 0.000 0.724 399 K HN 0.115 nan 8.250 nan 0.000 0.438 400 E N 0.268 120.072 120.200 -0.660 0.000 2.118 400 E HA -0.116 4.235 4.350 0.001 0.000 0.195 400 E C -0.118 175.873 176.600 -1.014 0.000 0.992 400 E CA 1.155 56.932 56.400 -1.039 0.000 0.804 400 E CB 0.031 28.654 29.700 -1.794 0.000 0.741 400 E HN 0.214 nan 8.360 nan 0.000 0.458 401 F N -0.526 119.286 119.950 -0.231 0.000 2.550 401 F HA 0.309 4.836 4.527 0.001 0.000 0.348 401 F C -1.771 173.985 175.800 -0.073 0.000 1.219 401 F CA -2.473 55.477 58.000 -0.083 0.000 1.203 401 F CB 1.491 40.596 39.000 0.173 0.000 1.436 401 F HN -0.067 nan 8.300 nan 0.000 0.541 402 P HA -0.288 nan 4.420 nan 0.000 0.218 402 P C -0.221 177.115 177.300 0.059 0.000 1.018 402 P CA 1.713 64.766 63.100 -0.078 0.000 1.016 402 P CB 0.128 31.727 31.700 -0.168 0.000 0.748 403 N N -1.105 117.673 118.700 0.131 0.000 2.817 403 N HA 0.136 4.876 4.740 0.001 0.000 0.234 403 N C -1.935 173.755 175.510 0.299 0.000 1.066 403 N CA -1.242 51.925 53.050 0.195 0.000 0.926 403 N CB 0.863 39.445 38.487 0.158 0.000 1.176 403 N HN 0.297 nan 8.380 nan 0.000 0.506 404 P HA -0.033 nan 4.420 nan 0.000 0.233 404 P C 0.530 177.937 177.300 0.179 0.000 1.167 404 P CA 0.979 64.209 63.100 0.217 0.000 0.770 404 P CB 0.634 32.487 31.700 0.255 0.000 0.837 405 E N -0.969 119.361 120.200 0.217 0.000 2.479 405 E HA 0.136 4.487 4.350 0.001 0.000 0.193 405 E C 0.716 177.512 176.600 0.326 0.000 1.049 405 E CA 0.285 56.804 56.400 0.198 0.000 0.870 405 E CB 0.028 29.813 29.700 0.141 0.000 0.944 405 E HN 0.324 nan 8.360 nan 0.000 0.492 406 M N 0.348 120.139 119.600 0.320 0.000 2.318 406 M HA 0.223 4.703 4.480 0.001 0.000 0.347 406 M C -0.030 176.433 176.300 0.272 0.000 1.175 406 M CA -1.043 54.461 55.300 0.340 0.000 1.075 406 M CB 0.379 33.120 32.600 0.235 0.000 1.614 406 M HN -0.140 nan 8.290 nan 0.000 0.456 407 F N 3.452 123.327 119.950 -0.126 0.000 2.487 407 F HA 0.162 4.689 4.527 0.001 0.000 0.364 407 F C -0.192 175.453 175.800 -0.259 0.000 1.126 407 F CA 0.230 57.955 58.000 -0.458 0.000 1.135 407 F CB -0.068 38.425 39.000 -0.846 0.000 1.127 407 F HN 0.447 nan 8.300 nan 0.000 0.559 408 D N 8.571 128.633 120.400 -0.564 0.000 2.479 408 D HA 0.315 4.955 4.640 0.001 0.000 0.246 408 D C -2.233 173.879 176.300 -0.314 0.000 1.336 408 D CA -2.209 51.618 54.000 -0.289 0.000 0.967 408 D CB 2.111 43.012 40.800 0.168 0.000 1.275 408 D HN 0.136 nan 8.370 nan 0.000 0.577 409 P HA -0.110 nan 4.420 nan 0.000 0.221 409 P C 1.049 178.247 177.300 -0.170 0.000 1.145 409 P CA 0.848 63.716 63.100 -0.386 0.000 0.795 409 P CB 0.100 31.447 31.700 -0.589 0.000 0.775 410 H N -1.748 117.313 119.070 -0.015 0.000 2.545 410 H HA -0.060 4.496 4.556 0.001 0.000 0.282 410 H C 1.720 177.028 175.328 -0.033 0.000 1.020 410 H CA 0.844 56.894 56.048 0.002 0.000 1.243 410 H CB -0.482 29.279 29.762 -0.001 0.000 1.377 410 H HN 0.423 nan 8.280 nan 0.000 0.581 411 H N -0.789 118.253 119.070 -0.046 0.000 2.518 411 H HA -0.106 4.451 4.556 0.001 0.000 0.292 411 H C 0.238 175.275 175.328 -0.486 0.000 1.068 411 H CA 0.852 56.800 56.048 -0.167 0.000 1.275 411 H CB 0.137 29.806 29.762 -0.156 0.000 1.375 411 H HN 0.277 nan 8.280 nan 0.000 0.563 412 F N 0.310 120.220 119.950 -0.067 0.000 2.841 412 F HA 0.345 4.872 4.527 0.001 0.000 0.358 412 F C -0.428 175.137 175.800 -0.392 0.000 1.261 412 F CA -0.071 57.729 58.000 -0.333 0.000 1.233 412 F CB 0.704 39.469 39.000 -0.391 0.000 1.008 412 F HN -0.162 nan 8.300 nan 0.000 0.507 413 L N 0.761 121.908 121.223 -0.126 0.000 2.493 413 L HA 0.386 4.726 4.340 0.001 0.000 0.265 413 L C -0.808 176.052 176.870 -0.018 0.000 0.954 413 L CA -1.024 53.778 54.840 -0.063 0.000 0.844 413 L CB 2.173 44.211 42.059 -0.034 0.000 1.302 413 L HN 0.032 nan 8.230 nan 0.000 0.405 414 D N 1.132 121.519 120.400 -0.020 0.000 2.478 414 D HA 0.087 4.727 4.640 0.001 0.000 0.274 414 D C 1.092 177.406 176.300 0.024 0.000 1.234 414 D CA -0.329 53.658 54.000 -0.020 0.000 1.069 414 D CB 0.416 41.195 40.800 -0.035 0.000 1.113 414 D HN 0.680 nan 8.370 nan 0.000 0.571 415 E N -0.201 120.001 120.200 0.004 0.000 2.170 415 E HA -0.303 4.047 4.350 0.001 0.000 0.229 415 E C 1.437 178.057 176.600 0.034 0.000 1.074 415 E CA 1.833 58.239 56.400 0.010 0.000 0.930 415 E CB -1.342 28.357 29.700 -0.003 0.000 0.806 415 E HN 0.531 nan 8.360 nan 0.000 0.478 416 G N 0.310 109.133 108.800 0.038 0.000 2.803 416 G HA2 0.286 4.246 3.960 0.001 0.000 0.177 416 G HA3 0.286 4.246 3.960 0.001 0.000 0.177 416 G C 0.939 175.890 174.900 0.085 0.000 1.629 416 G CA 0.305 45.436 45.100 0.052 0.000 1.077 416 G HN 0.413 nan 8.290 nan 0.000 0.556 417 G N -0.361 108.492 108.800 0.088 0.000 2.586 417 G HA2 0.261 4.221 3.960 0.001 0.000 0.199 417 G HA3 0.261 4.221 3.960 0.001 0.000 0.199 417 G C 0.068 175.032 174.900 0.107 0.000 1.614 417 G CA 0.338 45.508 45.100 0.118 0.000 0.921 417 G HN 1.101 nan 8.290 nan 0.000 0.428 418 N N -1.444 117.325 118.700 0.114 0.000 3.923 418 N HA -0.194 4.546 4.740 0.001 0.000 0.306 418 N C -0.707 174.871 175.510 0.113 0.000 2.133 418 N CA 0.431 53.546 53.050 0.109 0.000 2.838 418 N CB -0.706 37.823 38.487 0.069 0.000 0.433 418 N HN 0.431 nan 8.380 nan 0.000 0.727 419 F N 2.590 122.536 119.950 -0.005 0.000 2.504 419 F HA 0.197 4.725 4.527 0.001 0.000 0.369 419 F C 0.821 176.601 175.800 -0.032 0.000 1.082 419 F CA -0.110 57.868 58.000 -0.037 0.000 1.216 419 F CB 0.671 39.617 39.000 -0.089 0.000 1.108 419 F HN 0.333 nan 8.300 nan 0.000 0.554 420 K N 8.466 128.456 120.400 -0.683 0.000 2.299 420 K HA 0.169 4.489 4.320 0.001 0.000 0.268 420 K C -0.151 175.996 176.600 -0.755 0.000 1.075 420 K CA -0.689 55.283 56.287 -0.524 0.000 0.936 420 K CB 0.476 32.779 32.500 -0.329 0.000 1.228 420 K HN 0.815 nan 8.250 nan 0.000 0.454 421 K N 1.242 121.356 120.400 -0.477 0.000 2.143 421 K HA 0.195 4.515 4.320 0.001 0.000 0.239 421 K C -0.407 176.164 176.600 -0.049 0.000 1.048 421 K CA -0.551 55.629 56.287 -0.178 0.000 0.867 421 K CB 0.845 33.420 32.500 0.125 0.000 1.088 421 K HN 0.317 nan 8.250 nan 0.000 0.510 422 S N -0.976 114.811 115.700 0.146 0.000 2.560 422 S HA 0.154 4.624 4.470 0.001 0.000 0.283 422 S C -0.294 174.491 174.600 0.307 0.000 1.141 422 S CA -0.935 57.375 58.200 0.182 0.000 0.902 422 S CB 1.160 64.481 63.200 0.203 0.000 1.104 422 S HN 0.770 nan 8.310 nan 0.000 0.454 423 K N 2.389 122.907 120.400 0.196 0.000 2.418 423 K HA 0.056 4.376 4.320 0.001 0.000 0.195 423 K C 0.463 177.150 176.600 0.145 0.000 1.035 423 K CA 0.744 57.116 56.287 0.142 0.000 1.003 423 K CB -0.233 32.263 32.500 -0.008 0.000 0.793 423 K HN 0.656 nan 8.250 nan 0.000 0.494 424 Y N 0.518 120.896 120.300 0.130 0.000 2.502 424 Y HA 0.082 4.632 4.550 0.001 0.000 0.295 424 Y C 0.154 176.353 175.900 0.499 0.000 1.193 424 Y CA -0.450 57.791 58.100 0.236 0.000 1.295 424 Y CB 0.036 38.527 38.460 0.052 0.000 1.059 424 Y HN 0.017 nan 8.280 nan 0.000 0.514 425 F N 1.730 121.972 119.950 0.488 0.000 2.384 425 F HA 0.342 4.869 4.527 0.001 0.000 0.359 425 F C 0.048 176.043 175.800 0.324 0.000 1.143 425 F CA -0.613 57.669 58.000 0.470 0.000 1.216 425 F CB -0.125 39.234 39.000 0.598 0.000 1.512 425 F HN -0.055 nan 8.300 nan 0.000 0.573 426 M N 7.333 126.896 119.600 -0.062 0.000 2.963 426 M HA 0.202 4.682 4.480 0.001 0.000 0.350 426 M C -1.761 174.412 176.300 -0.212 0.000 1.253 426 M CA -1.156 54.097 55.300 -0.078 0.000 0.856 426 M CB 0.409 33.034 32.600 0.043 0.000 1.356 426 M HN 0.189 nan 8.290 nan 0.000 0.510 427 P HA -0.055 nan 4.420 nan 0.000 0.223 427 P C 0.642 177.635 177.300 -0.511 0.000 1.151 427 P CA 1.222 64.007 63.100 -0.524 0.000 0.787 427 P CB -0.038 31.188 31.700 -0.790 0.000 0.788 428 F N -0.646 119.197 119.950 -0.178 0.000 2.732 428 F HA 0.241 4.768 4.527 0.001 0.000 0.303 428 F C 1.506 177.280 175.800 -0.043 0.000 1.110 428 F CA 0.111 58.061 58.000 -0.084 0.000 1.355 428 F CB -0.208 38.756 39.000 -0.059 0.000 1.081 428 F HN -0.090 nan 8.300 nan 0.000 0.565 429 S N 0.015 115.756 115.700 0.069 0.000 3.630 429 S HA 0.062 4.533 4.470 0.001 0.000 0.634 429 S C -0.451 174.196 174.600 0.079 0.000 2.333 429 S CA -0.152 58.086 58.200 0.063 0.000 2.607 429 S CB -1.054 62.202 63.200 0.093 0.000 0.329 429 S HN 0.946 nan 8.310 nan 0.000 1.712 430 A N -0.193 122.660 122.820 0.054 0.000 2.612 430 A HA 0.862 5.183 4.320 0.001 0.000 0.293 430 A C 0.797 178.402 177.584 0.035 0.000 1.075 430 A CA 0.858 52.920 52.037 0.042 0.000 0.680 430 A CB 0.581 19.584 19.000 0.004 0.000 1.279 430 A HN 2.922 nan 8.150 nan 0.000 0.411 431 G N 0.877 109.704 108.800 0.046 0.000 2.542 431 G HA2 -0.163 3.797 3.960 0.001 0.000 0.235 431 G HA3 -0.163 3.797 3.960 0.001 0.000 0.235 431 G C 0.628 175.597 174.900 0.116 0.000 1.286 431 G CA 0.265 45.399 45.100 0.057 0.000 0.904 431 G HN 0.929 nan 8.290 nan 0.000 0.577 432 K N 0.352 120.846 120.400 0.158 0.000 2.280 432 K HA -0.025 4.295 4.320 0.001 0.000 0.202 432 K C 2.168 178.995 176.600 0.378 0.000 1.047 432 K CA 1.116 57.556 56.287 0.255 0.000 0.942 432 K CB -0.081 32.617 32.500 0.330 0.000 0.739 432 K HN 0.352 nan 8.250 nan 0.000 0.457 433 R N 0.376 121.064 120.500 0.313 0.000 2.472 433 R HA 0.225 4.565 4.340 0.001 0.000 0.279 433 R C 0.749 177.170 176.300 0.201 0.000 0.953 433 R CA -0.348 55.930 56.100 0.297 0.000 1.088 433 R CB -0.042 30.376 30.300 0.197 0.000 1.197 433 R HN 0.189 nan 8.270 nan 0.000 0.536 434 I N 1.381 122.052 120.570 0.169 0.000 2.993 434 I HA -0.177 3.994 4.170 0.001 0.000 0.301 434 I C 0.687 176.873 176.117 0.117 0.000 1.229 434 I CA 0.252 61.631 61.300 0.131 0.000 1.435 434 I CB 0.656 38.716 38.000 0.101 0.000 1.328 434 I HN 0.178 nan 8.210 nan 0.000 0.584 435 C N 7.616 126.996 119.300 0.134 0.000 2.271 435 C HA -0.038 4.422 4.460 0.001 0.000 0.397 435 C C 1.837 176.851 174.990 0.040 0.000 1.533 435 C CA -0.108 58.983 59.018 0.123 0.000 1.433 435 C CB -0.887 27.019 27.740 0.277 0.000 2.511 435 C HN 0.730 nan 8.230 nan 0.000 0.610 436 V N 5.997 125.935 119.914 0.040 0.000 2.688 436 V HA -0.057 4.063 4.120 0.001 0.000 0.256 436 V C 2.188 178.259 176.094 -0.039 0.000 1.084 436 V CA 2.422 64.727 62.300 0.008 0.000 1.103 436 V CB -0.653 31.188 31.823 0.030 0.000 0.688 436 V HN 1.089 nan 8.190 nan 0.000 0.480 437 G N -1.293 107.484 108.800 -0.039 0.000 3.707 437 G HA2 0.085 4.045 3.960 0.001 0.000 0.286 437 G HA3 0.085 4.045 3.960 0.001 0.000 0.286 437 G C 1.034 175.836 174.900 -0.164 0.000 1.112 437 G CA 0.067 45.124 45.100 -0.071 0.000 0.861 437 G HN 0.489 nan 8.290 nan 0.000 0.534 438 E N 0.485 120.495 120.200 -0.317 0.000 2.077 438 E HA -0.127 4.223 4.350 0.001 0.000 0.193 438 E C 2.576 178.850 176.600 -0.543 0.000 0.989 438 E CA 1.166 57.094 56.400 -0.787 0.000 0.800 438 E CB 0.044 29.322 29.700 -0.703 0.000 0.746 438 E HN 0.373 nan 8.360 nan 0.000 0.452 439 A N 0.990 123.629 122.820 -0.301 0.000 1.855 439 A HA -0.142 4.178 4.320 0.001 0.000 0.215 439 A C 2.113 179.593 177.584 -0.174 0.000 1.191 439 A CA 1.130 53.040 52.037 -0.211 0.000 0.613 439 A CB -0.717 18.189 19.000 -0.156 0.000 0.829 439 A HN 0.356 nan 8.150 nan 0.000 0.442 440 L N 0.085 121.218 121.223 -0.150 0.000 2.012 440 L HA -0.137 4.204 4.340 0.001 0.000 0.210 440 L C 2.695 179.507 176.870 -0.096 0.000 1.073 440 L CA 2.378 57.146 54.840 -0.120 0.000 0.748 440 L CB -1.037 40.961 42.059 -0.101 0.000 0.891 440 L HN 0.378 nan 8.230 nan 0.000 0.431 441 A N -0.636 122.146 122.820 -0.063 0.000 1.892 441 A HA -0.154 4.166 4.320 0.001 0.000 0.218 441 A C 2.338 179.942 177.584 0.034 0.000 1.188 441 A CA 1.941 54.006 52.037 0.047 0.000 0.631 441 A CB -1.631 17.520 19.000 0.252 0.000 0.822 441 A HN 0.556 nan 8.150 nan 0.000 0.447 442 G N -1.283 107.503 108.800 -0.023 0.000 2.421 442 G HA2 -0.140 3.821 3.960 0.001 0.000 0.217 442 G HA3 -0.140 3.821 3.960 0.001 0.000 0.217 442 G C 1.622 176.506 174.900 -0.025 0.000 1.143 442 G CA 1.037 46.138 45.100 0.001 0.000 0.784 442 G HN 0.489 nan 8.290 nan 0.000 0.541 443 M N 0.295 119.845 119.600 -0.083 0.000 2.080 443 M HA -0.066 4.415 4.480 0.001 0.000 0.260 443 M C 2.472 178.665 176.300 -0.179 0.000 1.068 443 M CA 1.709 56.951 55.300 -0.097 0.000 1.109 443 M CB -0.137 32.385 32.600 -0.130 0.000 1.342 443 M HN 0.297 nan 8.290 nan 0.000 0.405 444 E N 0.210 120.245 120.200 -0.276 0.000 2.051 444 E HA -0.210 4.141 4.350 0.001 0.000 0.192 444 E C 2.025 178.382 176.600 -0.406 0.000 0.991 444 E CA 1.642 57.671 56.400 -0.619 0.000 0.799 444 E CB -0.324 29.147 29.700 -0.382 0.000 0.748 444 E HN 0.556 nan 8.360 nan 0.000 0.449 445 L N 0.086 121.264 121.223 -0.075 0.000 2.017 445 L HA -0.182 4.158 4.340 0.001 0.000 0.208 445 L C 2.512 179.422 176.870 0.066 0.000 1.073 445 L CA 1.205 56.079 54.840 0.058 0.000 0.745 445 L CB -0.486 41.632 42.059 0.100 0.000 0.894 445 L HN 0.128 nan 8.230 nan 0.000 0.432 446 F N 0.668 120.580 119.950 -0.064 0.000 2.113 446 F HA -0.172 4.355 4.527 0.001 0.000 0.297 446 F C 2.217 178.005 175.800 -0.021 0.000 1.103 446 F CA 1.497 59.472 58.000 -0.041 0.000 1.248 446 F CB -0.024 38.933 39.000 -0.072 0.000 0.999 446 F HN -0.153 nan 8.300 nan 0.000 0.475 447 L N -1.104 120.089 121.223 -0.050 0.000 2.179 447 L HA -0.144 4.197 4.340 0.001 0.000 0.208 447 L C 2.266 179.148 176.870 0.020 0.000 1.096 447 L CA 0.429 55.217 54.840 -0.087 0.000 0.779 447 L CB -0.707 41.325 42.059 -0.044 0.000 0.922 447 L HN 0.115 nan 8.230 nan 0.000 0.443 448 F N 0.151 120.095 119.950 -0.010 0.000 2.206 448 F HA -0.092 4.435 4.527 0.001 0.000 0.298 448 F C 2.247 178.042 175.800 -0.007 0.000 1.090 448 F CA 0.882 58.886 58.000 0.007 0.000 1.323 448 F CB -0.795 38.226 39.000 0.035 0.000 1.028 448 F HN -0.055 nan 8.300 nan 0.000 0.492 449 L N -0.497 120.813 121.223 0.144 0.000 2.131 449 L HA -0.141 4.199 4.340 0.001 0.000 0.206 449 L C 2.537 179.404 176.870 -0.004 0.000 1.087 449 L CA 1.661 56.550 54.840 0.081 0.000 0.767 449 L CB -1.069 41.023 42.059 0.055 0.000 0.917 449 L HN 0.217 nan 8.230 nan 0.000 0.441 450 T N -4.186 110.268 114.554 -0.167 0.000 2.777 450 T HA -0.126 4.224 4.350 0.001 0.000 0.266 450 T C 2.015 176.676 174.700 -0.065 0.000 1.040 450 T CA 1.387 63.365 62.100 -0.202 0.000 1.141 450 T CB -0.393 68.184 68.868 -0.484 0.000 0.868 450 T HN 0.135 nan 8.240 nan 0.000 0.444 451 S N 1.439 117.131 115.700 -0.012 0.000 2.382 451 S HA 0.065 4.535 4.470 0.001 0.000 0.228 451 S C 1.945 176.590 174.600 0.076 0.000 1.027 451 S CA 1.114 59.339 58.200 0.041 0.000 0.991 451 S CB -0.509 62.750 63.200 0.098 0.000 0.823 451 S HN 0.494 nan 8.310 nan 0.000 0.469 452 I N 1.032 121.685 120.570 0.139 0.000 2.202 452 I HA -0.130 4.041 4.170 0.001 0.000 0.242 452 I C 1.750 178.022 176.117 0.258 0.000 1.091 452 I CA 1.181 62.641 61.300 0.267 0.000 1.368 452 I CB -0.215 37.945 38.000 0.267 0.000 1.058 452 I HN 0.216 nan 8.210 nan 0.000 0.410 453 L N 0.089 121.405 121.223 0.156 0.000 2.492 453 L HA -0.074 4.267 4.340 0.001 0.000 0.223 453 L C 2.467 179.374 176.870 0.060 0.000 1.132 453 L CA 0.415 55.335 54.840 0.133 0.000 0.850 453 L CB -0.426 41.697 42.059 0.106 0.000 0.966 453 L HN 0.349 nan 8.230 nan 0.000 0.454 454 Q N 0.661 120.470 119.800 0.016 0.000 2.079 454 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 454 Q C 1.554 177.498 176.000 -0.094 0.000 0.974 454 Q CA 1.486 57.272 55.803 -0.028 0.000 0.840 454 Q CB 0.206 28.923 28.738 -0.035 0.000 0.898 454 Q HN 0.516 nan 8.270 nan 0.000 0.430 455 N N -1.272 117.311 118.700 -0.194 0.000 2.322 455 N HA 0.111 4.852 4.740 0.001 0.000 0.181 455 N C -0.776 174.268 175.510 -0.777 0.000 1.088 455 N CA 0.321 53.056 53.050 -0.524 0.000 0.885 455 N CB 0.733 38.765 38.487 -0.759 0.000 1.013 455 N HN 0.060 nan 8.380 nan 0.000 0.472 456 F N 0.644 120.652 119.950 0.097 0.000 2.578 456 F HA 0.386 4.913 4.527 0.001 0.000 0.311 456 F C 0.077 175.945 175.800 0.113 0.000 1.094 456 F CA -1.197 56.885 58.000 0.137 0.000 0.923 456 F CB 1.027 40.187 39.000 0.266 0.000 1.230 456 F HN -0.287 nan 8.300 nan 0.000 0.450 457 N N 2.039 120.899 118.700 0.265 0.000 2.493 457 N HA 0.550 5.290 4.740 0.001 0.000 0.275 457 N C -1.081 174.500 175.510 0.119 0.000 1.186 457 N CA -0.467 52.680 53.050 0.161 0.000 0.978 457 N CB 1.453 40.001 38.487 0.101 0.000 1.184 457 N HN 0.494 nan 8.380 nan 0.000 0.487 458 L N 0.816 122.061 121.223 0.037 0.000 2.276 458 L HA 0.414 4.754 4.340 0.001 0.000 0.286 458 L C 0.435 177.259 176.870 -0.077 0.000 1.024 458 L CA -0.629 54.161 54.840 -0.083 0.000 0.826 458 L CB 1.041 43.045 42.059 -0.092 0.000 1.211 458 L HN 0.296 nan 8.230 nan 0.000 0.422 459 K N 2.350 122.688 120.400 -0.103 0.000 2.211 459 K HA 0.363 4.684 4.320 0.001 0.000 0.275 459 K C -0.114 176.433 176.600 -0.088 0.000 1.024 459 K CA -0.288 55.958 56.287 -0.069 0.000 0.887 459 K CB 1.603 34.077 32.500 -0.044 0.000 1.084 459 K HN 0.543 nan 8.250 nan 0.000 0.463 460 S N 3.329 118.990 115.700 -0.064 0.000 2.592 460 S HA 0.149 4.620 4.470 0.001 0.000 0.271 460 S C 1.021 175.596 174.600 -0.042 0.000 1.326 460 S CA -0.575 57.590 58.200 -0.058 0.000 1.024 460 S CB 0.678 63.845 63.200 -0.054 0.000 0.921 460 S HN 0.655 nan 8.310 nan 0.000 0.527 461 L N 4.021 125.224 121.223 -0.033 0.000 2.056 461 L HA 0.228 4.568 4.340 0.001 0.000 0.202 461 L C 2.012 178.876 176.870 -0.010 0.000 1.086 461 L CA 1.118 55.946 54.840 -0.020 0.000 0.758 461 L CB -0.504 41.547 42.059 -0.012 0.000 0.912 461 L HN 0.593 nan 8.230 nan 0.000 0.446 462 V N 0.844 120.754 119.914 -0.006 0.000 3.499 462 V HA 0.106 4.227 4.120 0.001 0.000 0.308 462 V C -0.542 175.546 176.094 -0.010 0.000 1.319 462 V CA 0.283 62.582 62.300 -0.001 0.000 1.194 462 V CB -1.554 30.276 31.823 0.011 0.000 1.072 462 V HN 0.794 nan 8.190 nan 0.000 0.426 463 D N -0.315 120.073 120.400 -0.020 0.000 10.657 463 D HA -0.147 4.493 4.640 0.001 0.000 0.325 463 D C -2.239 174.038 176.300 -0.039 0.000 3.084 463 D CA 0.296 54.280 54.000 -0.026 0.000 2.723 463 D CB -0.781 40.009 40.800 -0.017 0.000 1.185 463 D HN 0.302 nan 8.370 nan 0.000 0.923 464 P HA -0.167 nan 4.420 nan 0.000 0.215 464 P C 1.579 178.828 177.300 -0.084 0.000 1.157 464 P CA 1.807 64.858 63.100 -0.081 0.000 0.863 464 P CB -0.043 31.605 31.700 -0.086 0.000 0.787 465 K N -0.217 120.147 120.400 -0.061 0.000 2.103 465 K HA -0.139 4.181 4.320 0.001 0.000 0.207 465 K C 2.164 178.742 176.600 -0.037 0.000 1.048 465 K CA 1.206 57.463 56.287 -0.051 0.000 0.930 465 K CB -0.449 32.034 32.500 -0.028 0.000 0.716 465 K HN -0.075 nan 8.250 nan 0.000 0.444 466 N N 0.476 119.159 118.700 -0.028 0.000 2.494 466 N HA -0.037 4.704 4.740 0.001 0.000 0.182 466 N C -0.127 175.374 175.510 -0.015 0.000 1.076 466 N CA 0.196 53.238 53.050 -0.014 0.000 0.908 466 N CB 0.122 38.605 38.487 -0.006 0.000 0.967 466 N HN 0.148 nan 8.380 nan 0.000 0.449 467 L N 1.116 122.317 121.223 -0.036 0.000 2.426 467 L HA 0.070 4.411 4.340 0.001 0.000 0.271 467 L C 0.003 176.856 176.870 -0.029 0.000 1.169 467 L CA -0.067 54.748 54.840 -0.042 0.000 0.836 467 L CB 0.630 42.636 42.059 -0.089 0.000 1.112 467 L HN -0.008 nan 8.230 nan 0.000 0.465 468 D N 0.123 120.519 120.400 -0.006 0.000 2.278 468 D HA 0.267 4.907 4.640 0.001 0.000 0.245 468 D C 0.238 176.563 176.300 0.042 0.000 1.052 468 D CA -0.429 53.588 54.000 0.028 0.000 0.834 468 D CB 1.453 42.279 40.800 0.043 0.000 1.194 468 D HN 0.532 nan 8.370 nan 0.000 0.481 469 T N -0.173 114.443 114.554 0.103 0.000 3.266 469 T HA 0.188 4.539 4.350 0.001 0.000 0.278 469 T C 0.148 175.036 174.700 0.314 0.000 1.010 469 T CA -0.509 61.714 62.100 0.205 0.000 0.909 469 T CB -0.288 68.708 68.868 0.213 0.000 1.122 469 T HN 0.235 nan 8.240 nan 0.000 0.536 470 T N 5.632 120.308 114.554 0.203 0.000 2.765 470 T HA 0.230 4.580 4.350 0.001 0.000 0.284 470 T C -2.458 172.361 174.700 0.199 0.000 0.946 470 T CA -0.567 61.638 62.100 0.174 0.000 1.185 470 T CB 0.281 69.214 68.868 0.108 0.000 0.887 470 T HN 0.283 nan 8.240 nan 0.000 0.532 471 P HA 0.071 nan 4.420 nan 0.000 0.260 471 P C -0.430 176.948 177.300 0.131 0.000 1.185 471 P CA -0.195 63.056 63.100 0.251 0.000 0.763 471 P CB 0.244 32.051 31.700 0.179 0.000 0.776 472 V N 5.723 125.702 119.914 0.109 0.000 2.427 472 V HA 0.064 4.184 4.120 0.001 0.000 0.268 472 V C 0.582 176.719 176.094 0.072 0.000 1.046 472 V CA -0.114 62.229 62.300 0.072 0.000 0.970 472 V CB 0.772 32.628 31.823 0.055 0.000 1.001 472 V HN 0.243 nan 8.190 nan 0.000 0.476 473 V N 4.934 124.883 119.914 0.057 0.000 2.472 473 V HA 0.469 4.589 4.120 0.001 0.000 0.290 473 V C -0.111 176.008 176.094 0.042 0.000 1.037 473 V CA -0.708 61.625 62.300 0.056 0.000 0.908 473 V CB 1.722 33.574 31.823 0.049 0.000 0.985 473 V HN 0.951 nan 8.190 nan 0.000 0.454 474 N N 3.254 121.980 118.700 0.043 0.000 2.690 474 N HA 0.565 5.305 4.740 0.001 0.000 0.255 474 N C 0.585 176.096 175.510 0.001 0.000 1.195 474 N CA 0.497 53.557 53.050 0.016 0.000 0.790 474 N CB 1.585 40.079 38.487 0.011 0.000 1.216 474 N HN 1.038 nan 8.380 nan 0.000 0.528 475 G N 1.158 109.960 108.800 0.004 0.000 2.889 475 G HA2 -0.380 3.581 3.960 0.001 0.000 0.308 475 G HA3 -0.380 3.581 3.960 0.001 0.000 0.308 475 G C 0.635 175.661 174.900 0.211 0.000 1.248 475 G CA 0.331 45.421 45.100 -0.016 0.000 0.982 475 G HN 0.467 nan 8.290 nan 0.000 0.571 476 F N 2.986 122.925 119.950 -0.018 0.000 2.776 476 F HA 0.564 5.091 4.527 0.001 0.000 0.300 476 F C 1.607 177.415 175.800 0.014 0.000 1.116 476 F CA 0.217 58.213 58.000 -0.007 0.000 1.375 476 F CB 0.301 39.287 39.000 -0.023 0.000 1.109 476 F HN 0.656 nan 8.300 nan 0.000 0.585 477 A N 0.127 123.061 122.820 0.189 0.000 2.483 477 A HA 0.797 5.117 4.320 0.001 0.000 0.286 477 A C -0.620 177.025 177.584 0.101 0.000 1.207 477 A CA -0.367 51.745 52.037 0.126 0.000 0.764 477 A CB 1.516 20.583 19.000 0.112 0.000 1.341 477 A HN 0.053 nan 8.150 nan 0.000 0.428 478 S N -1.592 114.167 115.700 0.099 0.000 2.565 478 S HA 0.717 5.188 4.470 0.001 0.000 0.274 478 S C -0.961 173.724 174.600 0.143 0.000 1.144 478 S CA -0.058 58.208 58.200 0.110 0.000 0.849 478 S CB 0.766 64.031 63.200 0.108 0.000 1.103 478 S HN 2.336 nan 8.310 nan 0.000 0.455 479 V N -2.468 117.534 119.914 0.146 0.000 3.178 479 V HA 0.892 5.012 4.120 0.001 0.000 0.302 479 V C -3.147 172.944 176.094 -0.004 0.000 1.262 479 V CA -2.208 60.153 62.300 0.103 0.000 1.030 479 V CB 1.654 33.512 31.823 0.058 0.000 1.074 479 V HN 0.859 nan 8.190 nan 0.000 0.438 480 P HA 0.492 nan 4.420 nan 0.000 0.276 480 P C -2.781 174.404 177.300 -0.192 0.000 1.261 480 P CA -1.525 61.189 63.100 -0.644 0.000 0.800 480 P CB 0.128 31.101 31.700 -1.211 0.000 1.066 481 P HA 0.185 nan 4.420 nan 0.000 0.276 481 P C -0.223 177.154 177.300 0.129 0.000 1.252 481 P CA -0.424 62.701 63.100 0.042 0.000 0.802 481 P CB 0.355 32.087 31.700 0.054 0.000 1.035 482 F N 2.755 122.729 119.950 0.040 0.000 2.602 482 F HA 0.202 4.729 4.527 0.001 0.000 0.367 482 F C -0.129 175.752 175.800 0.136 0.000 1.126 482 F CA 0.764 58.786 58.000 0.037 0.000 1.321 482 F CB 0.064 39.060 39.000 -0.007 0.000 1.094 482 F HN 0.401 nan 8.300 nan 0.000 0.594 483 Y N 2.388 122.065 120.300 -1.038 0.000 2.677 483 Y HA 0.574 5.125 4.550 0.001 0.000 0.334 483 Y C -1.872 173.526 175.900 -0.836 0.000 1.196 483 Y CA -1.415 56.224 58.100 -0.767 0.000 1.059 483 Y CB 0.863 39.111 38.460 -0.352 0.000 1.315 483 Y HN 0.618 nan 8.280 nan 0.000 0.455 484 Q N 2.431 121.938 119.800 -0.487 0.000 2.484 484 Q HA 0.866 5.207 4.340 0.001 0.000 0.285 484 Q C -1.401 174.518 176.000 -0.134 0.000 1.097 484 Q CA -1.174 54.394 55.803 -0.391 0.000 0.802 484 Q CB 3.600 32.205 28.738 -0.221 0.000 1.444 484 Q HN 0.832 nan 8.270 nan 0.000 0.429 485 L N -3.004 118.108 121.223 -0.185 0.000 2.933 485 L HA 0.836 5.176 4.340 0.001 0.000 0.271 485 L C -1.733 174.961 176.870 -0.293 0.000 1.071 485 L CA -0.983 53.730 54.840 -0.211 0.000 0.938 485 L CB 1.644 43.550 42.059 -0.255 0.000 1.534 485 L HN 0.734 nan 8.230 nan 0.000 0.396 486 C N 0.288 119.389 119.300 -0.332 0.000 2.455 486 C HA 0.637 5.097 4.460 0.001 0.000 0.320 486 C C -0.443 174.299 174.990 -0.414 0.000 1.226 486 C CA -0.325 58.531 59.018 -0.271 0.000 1.569 486 C CB 0.790 28.468 27.740 -0.103 0.000 2.200 486 C HN 0.571 nan 8.230 nan 0.000 0.491 487 F N 2.919 122.785 119.950 -0.140 0.000 2.451 487 F HA 0.372 4.900 4.527 0.001 0.000 0.356 487 F C 0.378 176.178 175.800 -0.001 0.000 1.178 487 F CA -0.333 57.525 58.000 -0.237 0.000 1.210 487 F CB -0.103 38.414 39.000 -0.804 0.000 1.504 487 F HN 0.355 nan 8.300 nan 0.000 0.598 488 I N 5.427 126.134 120.570 0.228 0.000 2.379 488 I HA 0.207 4.378 4.170 0.001 0.000 0.290 488 I C -1.979 174.357 176.117 0.365 0.000 1.063 488 I CA -2.150 59.293 61.300 0.237 0.000 1.351 488 I CB 0.112 38.186 38.000 0.123 0.000 1.410 488 I HN 0.233 nan 8.210 nan 0.000 0.505 489 P HA 0.002 nan 4.420 nan 0.000 0.269 489 P C -0.746 176.606 177.300 0.086 0.000 1.211 489 P CA -0.213 63.005 63.100 0.197 0.000 0.781 489 P CB 0.309 32.095 31.700 0.142 0.000 0.877 490 V N -1.819 118.095 119.914 -0.001 0.000 2.644 490 V HA 0.878 4.998 4.120 0.001 0.000 0.295 490 V C 0.041 176.135 176.094 0.000 0.000 1.053 490 V CA 0.055 62.358 62.300 0.004 0.000 0.987 490 V CB 0.118 31.928 31.823 -0.022 0.000 1.006 490 V HN 0.933 nan 8.190 nan 0.000 0.472 491 H N 0.000 119.076 119.070 0.010 0.000 2.539 491 H HA 0.000 4.556 4.556 0.001 0.000 0.296 491 H CA 0.000 nan 56.048 nan 0.000 1.023 491 H CB 0.000 nan 29.762 nan 0.000 1.292 491 H HN 0.000 nan 8.280 nan 0.000 0.496