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 3nd0_1_B DATA FIRST_RESID 26 DATA SEQUENCE SLHPRTLVAA IVVGLITGVL GAGFKSAVNN MLQWRSQLAQ ILAPIPPLAW DATA SEQUENCE LVTALISGGM VALSFWLMKR FAPDTSGSGI PQIEGHLEGK LPLVWQRVLP DATA SEQUENCE IKLVGGFLSL GAGMLAGFEG PTIQMGGSIG QMTGGWFKAT QENQRILIAV DATA SEQUENCE GAGAGLATAF NAPLAGVALI GEEMHPRFRS QTLAYHSLLF GCVMATIILR DATA SEQUENCE MIRGQSAIIS LTEFKRVPLD SLWMFIILGI LFGVMGYTFN RGLFKVLDWF DATA SEQUENCE DRLPPLATKW KGFLLGSIIG ILSLFPLPLT DGGDNAVLWA FNSQSHFSTL DATA SEQUENCE ILVFCGRFLL TLICYGSGAI GGIFAPMLGI ASIVSVAMAR HFHLLFPSQI DATA SEQUENCE PEPAVMAIAG MGALVAATVR APLTAILLTI EMTDNYFVIL PLLVTCLVAS DATA SEQUENCE VVAEALGGKP IYTVLLERTL AKQNR 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.569 174.600 -0.051 0.000 1.055 26 S CA 0.000 58.170 58.200 -0.051 0.000 1.107 26 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 27 L N 0.517 121.683 121.223 -0.095 0.000 2.468 27 L HA 0.696 5.036 4.340 -0.000 0.000 0.254 27 L C 0.167 177.056 176.870 0.031 0.000 1.171 27 L CA -0.107 54.689 54.840 -0.072 0.000 0.809 27 L CB -0.160 41.774 42.059 -0.208 0.000 1.155 27 L HN 0.348 nan 8.230 nan 0.000 0.473 28 H N -0.610 118.432 119.070 -0.047 0.000 2.924 28 H HA 0.355 4.911 4.556 -0.000 0.000 0.333 28 H C -2.459 172.868 175.328 -0.002 0.000 0.979 28 H CA -1.729 54.307 56.048 -0.020 0.000 1.326 28 H CB 2.519 32.273 29.762 -0.014 0.000 1.600 28 H HN 0.418 nan 8.280 nan 0.000 0.520 29 P HA -0.205 nan 4.420 nan 0.000 0.213 29 P C 1.691 178.725 177.300 -0.443 0.000 1.176 29 P CA 1.226 64.136 63.100 -0.316 0.000 0.919 29 P CB 0.217 31.818 31.700 -0.166 0.000 0.791 30 R N -0.947 119.170 120.500 -0.638 0.000 2.154 30 R HA -0.118 4.221 4.340 -0.000 0.000 0.248 30 R C 2.071 178.277 176.300 -0.158 0.000 1.155 30 R CA 1.855 57.805 56.100 -0.250 0.000 0.979 30 R CB -1.635 28.675 30.300 0.017 0.000 0.869 30 R HN 0.308 nan 8.270 nan 0.000 0.452 31 T N 1.290 115.657 114.554 -0.312 0.000 2.978 31 T HA 0.073 4.423 4.350 -0.000 0.000 0.262 31 T C 1.980 176.590 174.700 -0.150 0.000 1.063 31 T CA 0.432 62.468 62.100 -0.107 0.000 1.140 31 T CB 0.058 68.961 68.868 0.058 0.000 0.886 31 T HN 0.128 nan 8.240 nan 0.000 0.470 32 L N 0.709 121.838 121.223 -0.156 0.000 2.027 32 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 32 L C 2.699 179.382 176.870 -0.311 0.000 1.074 32 L CA 0.928 55.694 54.840 -0.124 0.000 0.745 32 L CB -0.733 41.318 42.059 -0.014 0.000 0.898 32 L HN 0.146 nan 8.230 nan 0.000 0.433 33 V N 0.170 119.924 119.914 -0.266 0.000 2.490 33 V HA -0.246 3.873 4.120 -0.000 0.000 0.250 33 V C 2.594 178.512 176.094 -0.294 0.000 1.061 33 V CA 1.772 63.924 62.300 -0.246 0.000 1.064 33 V CB -0.146 31.632 31.823 -0.075 0.000 0.670 33 V HN 0.411 nan 8.190 nan 0.000 0.461 34 A N 0.008 122.579 122.820 -0.415 0.000 1.902 34 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 34 A C 2.464 179.738 177.584 -0.517 0.000 1.181 34 A CA 2.151 53.684 52.037 -0.839 0.000 0.623 34 A CB -1.028 17.464 19.000 -0.847 0.000 0.818 34 A HN 0.869 nan 8.150 nan 0.000 0.443 35 A N 0.230 122.852 122.820 -0.331 0.000 1.877 35 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 35 A C 1.986 179.436 177.584 -0.224 0.000 1.186 35 A CA 1.561 53.469 52.037 -0.216 0.000 0.620 35 A CB -0.553 18.396 19.000 -0.086 0.000 0.822 35 A HN 0.418 nan 8.150 nan 0.000 0.443 36 I N 0.077 120.460 120.570 -0.312 0.000 2.185 36 I HA -0.233 3.937 4.170 -0.000 0.000 0.246 36 I C 2.464 178.451 176.117 -0.216 0.000 1.088 36 I CA 1.433 62.559 61.300 -0.290 0.000 1.347 36 I CB -1.463 36.317 38.000 -0.366 0.000 1.041 36 I HN 0.155 nan 8.210 nan 0.000 0.415 37 V N 0.327 120.090 119.914 -0.251 0.000 2.323 37 V HA -0.192 3.927 4.120 -0.000 0.000 0.244 37 V C 2.632 178.590 176.094 -0.226 0.000 1.041 37 V CA 1.097 63.258 62.300 -0.231 0.000 1.025 37 V CB -0.421 31.242 31.823 -0.267 0.000 0.656 37 V HN 0.152 nan 8.190 nan 0.000 0.451 38 V N 1.124 120.887 119.914 -0.252 0.000 2.214 38 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 38 V C 2.721 178.724 176.094 -0.151 0.000 1.051 38 V CA 2.570 64.747 62.300 -0.205 0.000 1.003 38 V CB -1.651 30.057 31.823 -0.191 0.000 0.635 38 V HN 0.602 nan 8.190 nan 0.000 0.447 39 G N -0.908 107.818 108.800 -0.124 0.000 2.503 39 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.221 39 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.221 39 G C 1.657 176.503 174.900 -0.091 0.000 1.131 39 G CA 1.271 46.318 45.100 -0.089 0.000 0.756 39 G HN 0.435 nan 8.290 nan 0.000 0.572 40 L N 0.101 121.260 121.223 -0.108 0.000 2.017 40 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 40 L C 2.835 179.643 176.870 -0.104 0.000 1.073 40 L CA 0.811 55.590 54.840 -0.101 0.000 0.745 40 L CB -0.195 41.796 42.059 -0.113 0.000 0.894 40 L HN 0.146 nan 8.230 nan 0.000 0.432 41 I N -0.573 119.922 120.570 -0.125 0.000 2.133 41 I HA -0.278 3.892 4.170 -0.000 0.000 0.238 41 I C 2.762 178.816 176.117 -0.106 0.000 1.074 41 I CA 2.115 63.340 61.300 -0.125 0.000 1.342 41 I CB -1.821 36.085 38.000 -0.157 0.000 1.053 41 I HN 0.382 nan 8.210 nan 0.000 0.404 42 T N 0.443 114.932 114.554 -0.108 0.000 2.803 42 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 42 T C 1.998 176.648 174.700 -0.083 0.000 1.052 42 T CA 1.729 63.771 62.100 -0.097 0.000 1.136 42 T CB -0.757 68.052 68.868 -0.097 0.000 0.864 42 T HN 0.401 nan 8.240 nan 0.000 0.467 43 G N 0.985 109.737 108.800 -0.079 0.000 2.480 43 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 43 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 43 G C 1.714 176.576 174.900 -0.063 0.000 1.200 43 G CA 1.201 46.260 45.100 -0.069 0.000 0.782 43 G HN 0.499 nan 8.290 nan 0.000 0.554 44 V N 0.937 120.813 119.914 -0.063 0.000 2.287 44 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 44 V C 2.872 178.941 176.094 -0.042 0.000 1.053 44 V CA 1.259 63.527 62.300 -0.054 0.000 1.027 44 V CB -0.503 31.285 31.823 -0.058 0.000 0.646 44 V HN 0.211 nan 8.190 nan 0.000 0.447 45 L N 0.581 121.777 121.223 -0.046 0.000 1.976 45 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 45 L C 2.703 179.578 176.870 0.007 0.000 1.071 45 L CA 2.603 57.428 54.840 -0.026 0.000 0.746 45 L CB -2.055 39.970 42.059 -0.058 0.000 0.890 45 L HN 0.446 nan 8.230 nan 0.000 0.432 46 G N -0.676 108.105 108.800 -0.032 0.000 2.476 46 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 46 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 46 G C 1.728 176.615 174.900 -0.022 0.000 1.164 46 G CA 1.251 46.337 45.100 -0.023 0.000 0.768 46 G HN 0.528 nan 8.290 nan 0.000 0.560 47 A N 0.835 123.623 122.820 -0.053 0.000 1.858 47 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 47 A C 2.775 180.324 177.584 -0.058 0.000 1.190 47 A CA 2.174 54.163 52.037 -0.079 0.000 0.617 47 A CB -1.223 17.737 19.000 -0.067 0.000 0.827 47 A HN 0.606 nan 8.150 nan 0.000 0.443 48 G N -1.394 107.397 108.800 -0.015 0.000 2.442 48 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 48 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 48 G C 1.454 176.379 174.900 0.042 0.000 1.141 48 G CA 1.184 46.285 45.100 0.002 0.000 0.763 48 G HN 0.469 nan 8.290 nan 0.000 0.554 49 F N 1.517 121.430 119.950 -0.063 0.000 2.075 49 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 49 F C 2.664 178.446 175.800 -0.030 0.000 1.113 49 F CA 1.813 59.808 58.000 -0.009 0.000 1.218 49 F CB -0.126 38.872 39.000 -0.004 0.000 0.984 49 F HN -0.015 nan 8.300 nan 0.000 0.472 50 K N -0.028 120.212 120.400 -0.265 0.000 2.032 50 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 50 K C 2.266 178.685 176.600 -0.301 0.000 1.048 50 K CA 1.699 57.600 56.287 -0.644 0.000 0.927 50 K CB -0.561 31.437 32.500 -0.836 0.000 0.712 50 K HN 0.247 nan 8.250 nan 0.000 0.441 51 S N 0.988 116.583 115.700 -0.176 0.000 2.359 51 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 51 S C 2.140 176.716 174.600 -0.039 0.000 1.035 51 S CA 1.361 59.511 58.200 -0.083 0.000 1.018 51 S CB -0.271 62.895 63.200 -0.057 0.000 0.876 51 S HN 0.450 nan 8.310 nan 0.000 0.448 52 A N 1.137 123.937 122.820 -0.034 0.000 1.883 52 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 52 A C 2.364 180.021 177.584 0.122 0.000 1.186 52 A CA 1.660 53.733 52.037 0.060 0.000 0.624 52 A CB -0.965 18.076 19.000 0.068 0.000 0.822 52 A HN 0.347 nan 8.150 nan 0.000 0.444 53 V N 1.016 120.904 119.914 -0.043 0.000 2.343 53 V HA -0.253 3.866 4.120 -0.000 0.000 0.247 53 V C 2.270 178.346 176.094 -0.031 0.000 1.051 53 V CA 2.112 64.339 62.300 -0.122 0.000 1.036 53 V CB -0.955 30.809 31.823 -0.099 0.000 0.654 53 V HN 0.559 nan 8.190 nan 0.000 0.451 54 N N 0.654 119.376 118.700 0.037 0.000 2.188 54 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 54 N C 1.671 177.212 175.510 0.052 0.000 1.018 54 N CA 1.223 54.306 53.050 0.055 0.000 0.858 54 N CB -0.567 37.953 38.487 0.056 0.000 0.989 54 N HN 0.482 nan 8.380 nan 0.000 0.426 55 N N 0.918 119.652 118.700 0.056 0.000 2.104 55 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 55 N C 1.718 177.302 175.510 0.123 0.000 1.024 55 N CA 0.826 53.927 53.050 0.085 0.000 0.853 55 N CB -0.299 38.229 38.487 0.068 0.000 1.008 55 N HN 0.199 nan 8.380 nan 0.000 0.424 56 M N 0.964 120.613 119.600 0.082 0.000 2.175 56 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 56 M C 1.859 178.218 176.300 0.099 0.000 1.063 56 M CA 1.052 56.392 55.300 0.066 0.000 1.119 56 M CB -0.422 32.092 32.600 -0.144 0.000 1.377 56 M HN 0.051 nan 8.290 nan 0.000 0.415 57 L N -0.246 120.991 121.223 0.023 0.000 1.989 57 L HA -0.273 4.067 4.340 -0.000 0.000 0.211 57 L C 2.609 179.511 176.870 0.053 0.000 1.071 57 L CA 2.087 56.934 54.840 0.011 0.000 0.749 57 L CB -0.934 41.116 42.059 -0.014 0.000 0.890 57 L HN 0.507 nan 8.230 nan 0.000 0.431 58 Q N -1.266 118.583 119.800 0.081 0.000 2.230 58 Q HA -0.245 4.094 4.340 -0.000 0.000 0.202 58 Q C 2.084 178.145 176.000 0.101 0.000 0.963 58 Q CA 1.320 57.166 55.803 0.072 0.000 0.866 58 Q CB -0.663 28.117 28.738 0.070 0.000 0.931 58 Q HN 0.557 nan 8.270 nan 0.000 0.452 59 W N 2.247 123.540 121.300 -0.012 0.000 2.363 59 W HA -0.035 4.625 4.660 -0.000 0.000 0.296 59 W C 1.870 178.380 176.519 -0.015 0.000 1.212 59 W CA 1.490 58.833 57.345 -0.005 0.000 1.260 59 W CB 0.213 29.679 29.460 0.009 0.000 1.131 59 W HN -0.028 nan 8.180 nan 0.000 0.530 60 R N -0.517 120.066 120.500 0.138 0.000 2.189 60 R HA -0.060 4.280 4.340 -0.000 0.000 0.218 60 R C 2.425 178.634 176.300 -0.152 0.000 1.074 60 R CA 1.263 57.331 56.100 -0.053 0.000 0.991 60 R CB -0.660 29.681 30.300 0.068 0.000 0.883 60 R HN 0.101 nan 8.270 nan 0.000 0.457 61 S N 0.824 116.465 115.700 -0.098 0.000 2.414 61 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 61 S C 1.792 176.317 174.600 -0.126 0.000 1.022 61 S CA 0.851 58.992 58.200 -0.098 0.000 0.958 61 S CB 0.197 63.367 63.200 -0.050 0.000 0.797 61 S HN 0.304 nan 8.310 nan 0.000 0.493 62 Q N 0.268 119.971 119.800 -0.163 0.000 2.245 62 Q HA 0.123 4.463 4.340 -0.000 0.000 0.201 62 Q C 2.106 177.951 176.000 -0.259 0.000 0.955 62 Q CA 0.607 56.304 55.803 -0.176 0.000 0.870 62 Q CB -0.147 28.497 28.738 -0.156 0.000 0.945 62 Q HN 0.440 nan 8.270 nan 0.000 0.461 63 L N 0.378 121.350 121.223 -0.419 0.000 2.093 63 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 63 L C 2.096 178.819 176.870 -0.244 0.000 1.085 63 L CA 1.138 55.711 54.840 -0.445 0.000 0.755 63 L CB -0.369 41.265 42.059 -0.708 0.000 0.904 63 L HN 0.201 nan 8.230 nan 0.000 0.435 64 A N -1.077 121.625 122.820 -0.197 0.000 2.066 64 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 64 A C 2.049 179.589 177.584 -0.073 0.000 1.157 64 A CA 1.129 53.093 52.037 -0.120 0.000 0.670 64 A CB -0.201 18.724 19.000 -0.125 0.000 0.804 64 A HN 0.558 nan 8.150 nan 0.000 0.453 65 Q N -0.923 118.827 119.800 -0.083 0.000 2.259 65 Q HA 0.202 4.541 4.340 -0.000 0.000 0.201 65 Q C 1.840 177.814 176.000 -0.044 0.000 0.938 65 Q CA 0.454 56.229 55.803 -0.047 0.000 0.872 65 Q CB -0.041 28.672 28.738 -0.043 0.000 0.971 65 Q HN 0.681 nan 8.270 nan 0.000 0.494 66 I N 0.645 121.172 120.570 -0.071 0.000 2.208 66 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 66 I C 1.620 177.713 176.117 -0.039 0.000 1.097 66 I CA 1.317 62.581 61.300 -0.059 0.000 1.363 66 I CB 0.024 37.973 38.000 -0.085 0.000 1.051 66 I HN 0.249 nan 8.210 nan 0.000 0.413 67 L N -0.299 120.899 121.223 -0.042 0.000 2.529 67 L HA 0.115 4.455 4.340 -0.000 0.000 0.223 67 L C 2.652 179.527 176.870 0.009 0.000 1.113 67 L CA 0.263 55.093 54.840 -0.016 0.000 0.861 67 L CB -0.546 41.503 42.059 -0.018 0.000 1.012 67 L HN 0.123 nan 8.230 nan 0.000 0.461 68 A N 1.740 124.566 122.820 0.010 0.000 1.903 68 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 68 A C 0.249 177.853 177.584 0.034 0.000 1.191 68 A CA 1.894 53.954 52.037 0.037 0.000 0.638 68 A CB -1.822 17.196 19.000 0.030 0.000 0.823 68 A HN 0.316 nan 8.150 nan 0.000 0.451 69 P HA -0.079 nan 4.420 nan 0.000 0.216 69 P C 0.511 177.816 177.300 0.008 0.000 1.153 69 P CA 1.314 64.421 63.100 0.012 0.000 0.858 69 P CB 0.101 31.804 31.700 0.005 0.000 0.789 70 I N -1.436 119.138 120.570 0.007 0.000 2.599 70 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 70 I C -2.820 173.297 176.117 -0.000 0.000 1.168 70 I CA -2.300 58.999 61.300 -0.001 0.000 1.060 70 I CB 2.817 40.815 38.000 -0.004 0.000 1.249 70 I HN -0.170 nan 8.210 nan 0.000 0.442 71 P HA 0.490 nan 4.420 nan 0.000 0.196 71 P C -2.481 174.799 177.300 -0.034 0.000 0.878 71 P CA 0.314 63.398 63.100 -0.027 0.000 0.912 71 P CB -0.278 31.389 31.700 -0.054 0.000 1.102 72 P HA 0.209 nan 4.420 nan 0.000 0.244 72 P C 1.299 178.623 177.300 0.039 0.000 1.632 72 P CA 0.001 63.006 63.100 -0.159 0.000 0.944 72 P CB -0.181 31.173 31.700 -0.576 0.000 1.569 73 L N 0.451 121.699 121.223 0.042 0.000 2.046 73 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 73 L C 2.217 179.145 176.870 0.097 0.000 1.077 73 L CA 1.792 56.665 54.840 0.055 0.000 0.747 73 L CB -0.545 41.531 42.059 0.029 0.000 0.896 73 L HN 0.046 nan 8.230 nan 0.000 0.432 74 A N -0.877 122.012 122.820 0.116 0.000 1.972 74 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 74 A C 1.763 179.428 177.584 0.134 0.000 1.169 74 A CA 1.450 53.543 52.037 0.094 0.000 0.635 74 A CB -0.980 18.061 19.000 0.069 0.000 0.810 74 A HN 0.638 nan 8.150 nan 0.000 0.446 75 W N -0.568 120.699 121.300 -0.055 0.000 2.321 75 W HA -0.166 4.494 4.660 -0.000 0.000 0.306 75 W C 2.038 178.525 176.519 -0.054 0.000 1.217 75 W CA 1.705 59.012 57.345 -0.064 0.000 1.257 75 W CB -0.784 28.646 29.460 -0.050 0.000 1.145 75 W HN 0.361 nan 8.180 nan 0.000 0.509 76 L N -0.679 120.665 121.223 0.202 0.000 2.072 76 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 76 L C 2.166 179.076 176.870 0.066 0.000 1.079 76 L CA 1.491 56.401 54.840 0.116 0.000 0.752 76 L CB -0.974 41.144 42.059 0.099 0.000 0.906 76 L HN -0.197 nan 8.230 nan 0.000 0.436 77 V N -0.612 119.334 119.914 0.053 0.000 2.307 77 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 77 V C 2.653 178.747 176.094 0.000 0.000 1.045 77 V CA 2.122 64.440 62.300 0.030 0.000 1.024 77 V CB -1.392 30.439 31.823 0.013 0.000 0.651 77 V HN 0.720 nan 8.190 nan 0.000 0.449 78 T N -1.115 113.414 114.554 -0.043 0.000 2.915 78 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 78 T C 1.868 176.502 174.700 -0.110 0.000 1.071 78 T CA 1.327 63.373 62.100 -0.090 0.000 1.132 78 T CB -0.331 68.443 68.868 -0.156 0.000 0.878 78 T HN 0.445 nan 8.240 nan 0.000 0.479 79 A N 1.666 124.425 122.820 -0.103 0.000 1.898 79 A HA 0.212 4.532 4.320 -0.000 0.000 0.216 79 A C 2.415 179.911 177.584 -0.146 0.000 1.181 79 A CA 1.128 53.084 52.037 -0.136 0.000 0.620 79 A CB -0.802 18.149 19.000 -0.081 0.000 0.819 79 A HN 0.525 nan 8.150 nan 0.000 0.442 80 L N -0.452 120.754 121.223 -0.029 0.000 1.988 80 L HA -0.174 4.165 4.340 -0.000 0.000 0.207 80 L C 2.549 179.434 176.870 0.024 0.000 1.071 80 L CA 1.436 56.309 54.840 0.054 0.000 0.744 80 L CB -0.639 41.504 42.059 0.140 0.000 0.893 80 L HN 0.365 nan 8.230 nan 0.000 0.433 81 I N -0.706 119.887 120.570 0.038 0.000 2.151 81 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 81 I C 2.711 178.834 176.117 0.009 0.000 1.080 81 I CA 1.383 62.722 61.300 0.065 0.000 1.339 81 I CB -0.388 37.682 38.000 0.117 0.000 1.039 81 I HN 0.206 nan 8.210 nan 0.000 0.409 82 S N 0.619 116.283 115.700 -0.059 0.000 2.356 82 S HA -0.110 4.359 4.470 -0.000 0.000 0.223 82 S C 2.101 176.616 174.600 -0.141 0.000 1.032 82 S CA 1.456 59.596 58.200 -0.100 0.000 1.005 82 S CB -0.666 62.451 63.200 -0.138 0.000 0.867 82 S HN 0.644 nan 8.310 nan 0.000 0.449 83 G N 0.908 109.532 108.800 -0.292 0.000 2.418 83 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 83 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 83 G C 1.418 176.199 174.900 -0.199 0.000 1.158 83 G CA 1.014 45.795 45.100 -0.532 0.000 0.771 83 G HN 0.562 nan 8.290 nan 0.000 0.545 84 G N 0.761 109.560 108.800 -0.001 0.000 2.421 84 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 84 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 84 G C 1.903 176.900 174.900 0.161 0.000 1.171 84 G CA 1.013 46.244 45.100 0.218 0.000 0.775 84 G HN 0.407 nan 8.290 nan 0.000 0.543 85 M N 0.036 119.692 119.600 0.093 0.000 2.065 85 M HA -0.104 4.376 4.480 -0.000 0.000 0.259 85 M C 2.714 179.072 176.300 0.097 0.000 1.069 85 M CA 1.235 56.585 55.300 0.084 0.000 1.110 85 M CB -0.557 32.056 32.600 0.022 0.000 1.328 85 M HN 0.106 nan 8.290 nan 0.000 0.405 86 V N 0.477 120.435 119.914 0.075 0.000 2.332 86 V HA -0.283 3.836 4.120 -0.000 0.000 0.248 86 V C 2.650 178.908 176.094 0.274 0.000 1.055 86 V CA 2.057 64.423 62.300 0.110 0.000 1.038 86 V CB -1.390 30.497 31.823 0.107 0.000 0.651 86 V HN 0.542 nan 8.190 nan 0.000 0.450 87 A N -0.372 122.639 122.820 0.317 0.000 1.858 87 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 87 A C 2.275 180.088 177.584 0.382 0.000 1.190 87 A CA 2.065 54.350 52.037 0.414 0.000 0.617 87 A CB -0.688 18.570 19.000 0.430 0.000 0.827 87 A HN 0.478 nan 8.150 nan 0.000 0.443 88 L N -0.374 121.021 121.223 0.286 0.000 2.129 88 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 88 L C 2.773 179.839 176.870 0.328 0.000 1.087 88 L CA 1.777 56.781 54.840 0.273 0.000 0.757 88 L CB -0.165 42.006 42.059 0.186 0.000 0.896 88 L HN 0.503 nan 8.230 nan 0.000 0.434 89 S N -0.826 115.016 115.700 0.237 0.000 2.345 89 S HA -0.173 4.297 4.470 -0.000 0.000 0.219 89 S C 1.821 176.505 174.600 0.139 0.000 1.031 89 S CA 1.055 59.336 58.200 0.135 0.000 0.984 89 S CB -0.388 62.806 63.200 -0.011 0.000 0.874 89 S HN 0.437 nan 8.310 nan 0.000 0.451 90 F N 0.397 120.452 119.950 0.176 0.000 2.161 90 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 90 F C 1.940 177.855 175.800 0.192 0.000 1.089 90 F CA 1.317 59.407 58.000 0.151 0.000 1.282 90 F CB -0.627 38.461 39.000 0.146 0.000 1.010 90 F HN 0.431 nan 8.300 nan 0.000 0.485 91 W N 0.453 121.914 121.300 0.268 0.000 2.378 91 W HA -0.129 4.531 4.660 -0.000 0.000 0.313 91 W C 1.963 178.605 176.519 0.204 0.000 1.197 91 W CA 1.484 58.945 57.345 0.193 0.000 1.304 91 W CB -0.506 29.051 29.460 0.162 0.000 1.148 91 W HN -0.114 nan 8.180 nan 0.000 0.494 92 L N 0.564 122.020 121.223 0.388 0.000 2.349 92 L HA -0.247 4.093 4.340 -0.000 0.000 0.220 92 L C 2.461 179.397 176.870 0.111 0.000 1.130 92 L CA 1.175 56.155 54.840 0.233 0.000 0.791 92 L CB -0.580 41.628 42.059 0.249 0.000 0.918 92 L HN 0.238 nan 8.230 nan 0.000 0.444 93 M N 0.333 119.980 119.600 0.078 0.000 2.073 93 M HA -0.103 4.377 4.480 -0.000 0.000 0.259 93 M C 0.667 176.974 176.300 0.012 0.000 1.079 93 M CA 1.615 56.941 55.300 0.045 0.000 1.131 93 M CB 0.332 32.963 32.600 0.051 0.000 1.316 93 M HN 0.033 nan 8.290 nan 0.000 0.415 94 K N 0.338 120.712 120.400 -0.044 0.000 2.426 94 K HA 0.434 4.754 4.320 -0.000 0.000 0.254 94 K C -1.082 175.322 176.600 -0.327 0.000 0.936 94 K CA -0.924 55.284 56.287 -0.132 0.000 0.801 94 K CB 1.941 34.405 32.500 -0.060 0.000 1.139 94 K HN -0.028 nan 8.250 nan 0.000 0.424 95 R N 2.650 122.858 120.500 -0.488 0.000 2.308 95 R HA 0.392 4.732 4.340 -0.000 0.000 0.305 95 R C -0.674 175.322 176.300 -0.507 0.000 1.053 95 R CA -0.310 55.544 56.100 -0.410 0.000 0.957 95 R CB 0.322 30.370 30.300 -0.420 0.000 1.022 95 R HN 0.944 nan 8.270 nan 0.000 0.461 96 F N -0.365 119.464 119.950 -0.201 0.000 1.791 96 F HA 0.088 4.615 4.527 -0.000 0.000 0.438 96 F C -0.658 175.077 175.800 -0.108 0.000 0.952 96 F CA 0.181 58.085 58.000 -0.161 0.000 0.909 96 F CB -0.132 38.757 39.000 -0.185 0.000 1.428 96 F HN 0.561 nan 8.300 nan 0.000 0.386 97 A N 0.041 122.925 122.820 0.107 0.000 2.642 97 A HA 0.561 4.881 4.320 -0.000 0.000 0.261 97 A C -2.462 175.135 177.584 0.021 0.000 1.335 97 A CA -0.345 51.719 52.037 0.044 0.000 1.073 97 A CB -0.365 18.654 19.000 0.032 0.000 1.369 97 A HN -0.039 nan 8.150 nan 0.000 0.706 98 P HA -0.109 nan 4.420 nan 0.000 0.229 98 P C 0.928 178.235 177.300 0.013 0.000 1.150 98 P CA 1.391 64.498 63.100 0.012 0.000 0.765 98 P CB 0.294 31.997 31.700 0.006 0.000 0.783 99 D N -0.707 119.700 120.400 0.013 0.000 2.264 99 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 99 D C 1.498 177.805 176.300 0.012 0.000 0.966 99 D CA 1.355 55.365 54.000 0.017 0.000 0.864 99 D CB -0.495 40.316 40.800 0.018 0.000 0.933 99 D HN 0.144 nan 8.370 nan 0.000 0.499 100 T N -2.773 111.781 114.554 0.000 0.000 3.129 100 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 100 T C 0.916 175.600 174.700 -0.026 0.000 1.117 100 T CA -0.221 61.872 62.100 -0.012 0.000 1.034 100 T CB -0.222 68.633 68.868 -0.022 0.000 0.968 100 T HN -0.032 nan 8.240 nan 0.000 0.526 101 S N 0.605 116.291 115.700 -0.024 0.000 2.531 101 S HA 0.517 4.987 4.470 -0.000 0.000 0.279 101 S C 1.229 175.784 174.600 -0.076 0.000 1.305 101 S CA 0.539 58.703 58.200 -0.060 0.000 1.058 101 S CB -0.555 62.627 63.200 -0.030 0.000 0.899 101 S HN 1.219 nan 8.310 nan 0.000 0.493 102 G N 3.598 112.291 108.800 -0.178 0.000 2.498 102 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 102 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 102 G C 0.771 175.720 174.900 0.082 0.000 1.170 102 G CA 0.359 45.309 45.100 -0.250 0.000 0.944 102 G HN 1.207 nan 8.290 nan 0.000 0.567 103 S N -0.631 115.275 115.700 0.344 0.000 2.213 103 S HA 0.444 4.914 4.470 -0.000 0.000 0.164 103 S C 1.923 176.623 174.600 0.166 0.000 1.370 103 S CA 2.881 61.294 58.200 0.354 0.000 2.315 103 S CB -0.278 63.203 63.200 0.468 0.000 0.448 103 S HN 2.595 nan 8.310 nan 0.000 0.350 104 G N -0.875 107.991 108.800 0.111 0.000 4.044 104 G HA2 0.005 3.965 3.960 -0.000 0.000 0.189 104 G HA3 0.005 3.965 3.960 -0.000 0.000 0.189 104 G C 0.799 175.683 174.900 -0.026 0.000 0.838 104 G CA 0.331 45.452 45.100 0.034 0.000 0.876 104 G HN 0.443 nan 8.290 nan 0.000 0.419 105 I N 2.310 122.808 120.570 -0.121 0.000 2.163 105 I HA -0.007 4.163 4.170 -0.000 0.000 0.243 105 I C -0.033 175.995 176.117 -0.149 0.000 1.085 105 I CA 1.800 62.935 61.300 -0.274 0.000 1.347 105 I CB -0.790 36.693 38.000 -0.862 0.000 1.044 105 I HN 0.142 nan 8.210 nan 0.000 0.408 106 P HA -0.166 nan 4.420 nan 0.000 0.215 106 P C 1.625 178.959 177.300 0.056 0.000 1.157 106 P CA 1.342 64.478 63.100 0.059 0.000 0.863 106 P CB -0.015 31.776 31.700 0.151 0.000 0.787 107 Q N -1.145 118.687 119.800 0.054 0.000 2.124 107 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 107 Q C 1.967 178.005 176.000 0.064 0.000 0.977 107 Q CA 1.357 57.195 55.803 0.058 0.000 0.850 107 Q CB -0.963 27.802 28.738 0.044 0.000 0.901 107 Q HN 0.219 nan 8.270 nan 0.000 0.429 108 I N -0.053 120.538 120.570 0.035 0.000 2.480 108 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 108 I C 2.131 178.288 176.117 0.067 0.000 1.124 108 I CA 0.924 62.250 61.300 0.043 0.000 1.444 108 I CB -0.309 37.693 38.000 0.004 0.000 1.098 108 I HN 0.250 nan 8.210 nan 0.000 0.428 109 E N 0.466 120.686 120.200 0.035 0.000 2.110 109 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 109 E C 2.267 178.896 176.600 0.049 0.000 0.988 109 E CA 1.279 57.699 56.400 0.034 0.000 0.804 109 E CB -0.243 29.472 29.700 0.025 0.000 0.745 109 E HN 0.501 nan 8.360 nan 0.000 0.458 110 G N -0.360 108.480 108.800 0.067 0.000 2.424 110 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.214 110 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.214 110 G C 1.354 176.298 174.900 0.073 0.000 1.202 110 G CA 1.062 46.200 45.100 0.064 0.000 0.793 110 G HN 0.426 nan 8.290 nan 0.000 0.534 111 H N 0.008 119.088 119.070 0.017 0.000 2.321 111 H HA -0.079 4.477 4.556 -0.000 0.000 0.295 111 H C 2.362 177.699 175.328 0.015 0.000 1.102 111 H CA 1.665 57.725 56.048 0.021 0.000 1.266 111 H CB -0.253 29.527 29.762 0.032 0.000 1.363 111 H HN 0.202 nan 8.280 nan 0.000 0.492 112 L N 0.587 121.916 121.223 0.176 0.000 2.349 112 L HA -0.109 4.231 4.340 -0.000 0.000 0.220 112 L C 2.109 178.959 176.870 -0.033 0.000 1.130 112 L CA 1.894 56.788 54.840 0.091 0.000 0.791 112 L CB -0.328 41.771 42.059 0.068 0.000 0.918 112 L HN 0.515 nan 8.230 nan 0.000 0.444 113 E N -2.645 117.531 120.200 -0.040 0.000 2.447 113 E HA 0.187 4.537 4.350 -0.000 0.000 0.204 113 E C 1.389 177.951 176.600 -0.064 0.000 0.977 113 E CA 0.617 56.984 56.400 -0.055 0.000 0.950 113 E CB 0.405 30.088 29.700 -0.029 0.000 0.975 113 E HN 0.404 nan 8.360 nan 0.000 0.496 114 G N 1.026 109.772 108.800 -0.091 0.000 3.246 114 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.196 114 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.196 114 G C -0.604 174.247 174.900 -0.082 0.000 2.019 114 G CA -0.272 44.771 45.100 -0.096 0.000 1.385 114 G HN 0.126 nan 8.290 nan 0.000 0.484 115 K N 1.234 121.610 120.400 -0.039 0.000 2.380 115 K HA 0.689 5.009 4.320 -0.000 0.000 0.267 115 K C 0.664 177.264 176.600 -0.001 0.000 0.990 115 K CA 0.165 56.443 56.287 -0.015 0.000 0.946 115 K CB 0.540 33.041 32.500 0.002 0.000 0.937 115 K HN 1.317 nan 8.250 nan 0.000 0.491 116 L N -0.059 121.175 121.223 0.017 0.000 0.762 116 L HA -0.157 4.183 4.340 -0.000 0.000 0.363 116 L C -2.406 174.521 176.870 0.096 0.000 1.004 116 L CA -0.659 54.214 54.840 0.053 0.000 1.223 116 L CB -0.085 42.016 42.059 0.069 0.000 0.295 116 L HN 0.688 nan 8.230 nan 0.000 0.182 117 P HA 0.541 nan 4.420 nan 0.000 0.283 117 P C -1.550 175.912 177.300 0.270 0.000 1.278 117 P CA -0.712 62.520 63.100 0.220 0.000 0.834 117 P CB 1.870 33.638 31.700 0.112 0.000 1.150 118 L N 1.568 122.957 121.223 0.276 0.000 2.491 118 L HA 0.428 4.768 4.340 -0.000 0.000 0.267 118 L C -1.208 175.680 176.870 0.029 0.000 0.971 118 L CA -0.844 54.001 54.840 0.008 0.000 0.857 118 L CB 1.452 43.267 42.059 -0.406 0.000 1.226 118 L HN 0.196 nan 8.230 nan 0.000 0.408 119 V N 2.842 122.768 119.914 0.020 0.000 2.350 119 V HA 0.391 4.511 4.120 -0.000 0.000 0.285 119 V C 0.631 176.716 176.094 -0.016 0.000 1.014 119 V CA -0.463 61.827 62.300 -0.017 0.000 0.831 119 V CB 0.759 32.532 31.823 -0.082 0.000 1.000 119 V HN 1.044 nan 8.190 nan 0.000 0.433 120 W N 5.192 126.477 121.300 -0.025 0.000 2.374 120 W HA -0.098 4.562 4.660 -0.000 0.000 0.288 120 W C 1.814 178.319 176.519 -0.023 0.000 1.218 120 W CA 1.705 59.031 57.345 -0.032 0.000 1.245 120 W CB -0.458 28.986 29.460 -0.027 0.000 1.126 120 W HN 0.654 nan 8.180 nan 0.000 0.545 121 Q N 0.962 120.317 119.800 -0.741 0.000 2.364 121 Q HA -0.102 4.238 4.340 -0.000 0.000 0.209 121 Q C 1.821 177.704 176.000 -0.194 0.000 0.977 121 Q CA 1.564 57.063 55.803 -0.507 0.000 0.885 121 Q CB -0.681 27.680 28.738 -0.628 0.000 0.941 121 Q HN 0.544 nan 8.270 nan 0.000 0.464 122 R N -0.034 120.381 120.500 -0.141 0.000 2.121 122 R HA 0.129 4.469 4.340 -0.000 0.000 0.206 122 R C 2.493 178.769 176.300 -0.040 0.000 1.094 122 R CA 0.671 56.730 56.100 -0.068 0.000 1.055 122 R CB 0.058 30.335 30.300 -0.039 0.000 0.964 122 R HN 0.044 nan 8.270 nan 0.000 0.473 123 V N 2.439 122.344 119.914 -0.015 0.000 2.237 123 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 123 V C 2.468 178.557 176.094 -0.008 0.000 1.046 123 V CA 1.537 63.834 62.300 -0.005 0.000 1.007 123 V CB -0.582 31.247 31.823 0.010 0.000 0.638 123 V HN 0.297 nan 8.190 nan 0.000 0.445 124 L N 1.310 122.555 121.223 0.037 0.000 1.976 124 L HA -0.159 4.181 4.340 -0.000 0.000 0.223 124 L C 0.431 177.292 176.870 -0.016 0.000 1.081 124 L CA 3.149 58.007 54.840 0.031 0.000 0.784 124 L CB -2.316 39.821 42.059 0.131 0.000 0.896 124 L HN 0.330 nan 8.230 nan 0.000 0.438 125 P HA -0.107 nan 4.420 nan 0.000 0.218 125 P C 2.046 179.297 177.300 -0.081 0.000 1.152 125 P CA 1.059 64.125 63.100 -0.056 0.000 0.826 125 P CB 0.077 31.728 31.700 -0.082 0.000 0.790 126 I N 0.635 121.147 120.570 -0.097 0.000 2.286 126 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 126 I C 2.547 178.638 176.117 -0.043 0.000 1.104 126 I CA 1.472 62.716 61.300 -0.094 0.000 1.397 126 I CB -1.054 36.892 38.000 -0.090 0.000 1.072 126 I HN -0.138 nan 8.210 nan 0.000 0.417 127 K N 0.773 121.144 120.400 -0.048 0.000 2.097 127 K HA -0.144 4.175 4.320 -0.000 0.000 0.206 127 K C 2.029 178.591 176.600 -0.064 0.000 1.049 127 K CA 1.547 57.799 56.287 -0.058 0.000 0.933 127 K CB -0.538 31.912 32.500 -0.085 0.000 0.717 127 K HN 0.313 nan 8.250 nan 0.000 0.442 128 L N -0.412 120.773 121.223 -0.064 0.000 1.982 128 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 128 L C 2.002 178.980 176.870 0.179 0.000 1.078 128 L CA 1.209 56.040 54.840 -0.015 0.000 0.749 128 L CB -0.386 41.657 42.059 -0.025 0.000 0.894 128 L HN 0.012 nan 8.230 nan 0.000 0.436 129 V N 0.279 120.248 119.914 0.091 0.000 2.332 129 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 129 V C 2.565 178.777 176.094 0.196 0.000 1.055 129 V CA 1.942 64.308 62.300 0.111 0.000 1.038 129 V CB -1.402 30.430 31.823 0.015 0.000 0.651 129 V HN 0.698 nan 8.190 nan 0.000 0.450 130 G N -0.127 108.747 108.800 0.123 0.000 2.404 130 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.215 130 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.215 130 G C 1.652 176.632 174.900 0.134 0.000 1.174 130 G CA 0.833 45.996 45.100 0.107 0.000 0.780 130 G HN 0.576 nan 8.290 nan 0.000 0.537 131 G N 0.506 109.408 108.800 0.170 0.000 2.442 131 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 131 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 131 G C 1.624 176.759 174.900 0.391 0.000 1.141 131 G CA 0.986 46.237 45.100 0.252 0.000 0.763 131 G HN 0.391 nan 8.290 nan 0.000 0.554 132 F N 1.285 121.448 119.950 0.355 0.000 2.095 132 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 132 F C 2.423 178.246 175.800 0.039 0.000 1.104 132 F CA 1.455 59.544 58.000 0.148 0.000 1.232 132 F CB -0.240 38.838 39.000 0.130 0.000 0.987 132 F HN 0.069 nan 8.300 nan 0.000 0.475 133 L N -0.577 120.726 121.223 0.133 0.000 2.046 133 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 133 L C 2.804 179.602 176.870 -0.121 0.000 1.077 133 L CA 1.557 56.388 54.840 -0.015 0.000 0.747 133 L CB -1.128 41.014 42.059 0.137 0.000 0.896 133 L HN 0.283 nan 8.230 nan 0.000 0.432 134 S N 0.066 115.721 115.700 -0.075 0.000 2.344 134 S HA -0.156 4.314 4.470 -0.000 0.000 0.217 134 S C 1.938 176.451 174.600 -0.145 0.000 1.033 134 S CA 1.312 59.446 58.200 -0.110 0.000 1.017 134 S CB -0.166 62.963 63.200 -0.118 0.000 0.941 134 S HN 0.158 nan 8.310 nan 0.000 0.430 135 L N 1.646 122.778 121.223 -0.151 0.000 2.017 135 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 135 L C 2.778 179.481 176.870 -0.278 0.000 1.073 135 L CA 1.903 56.614 54.840 -0.216 0.000 0.745 135 L CB -1.474 40.445 42.059 -0.234 0.000 0.894 135 L HN 0.478 nan 8.230 nan 0.000 0.432 136 G N -1.207 107.349 108.800 -0.406 0.000 2.479 136 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 136 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 136 G C 1.550 176.282 174.900 -0.281 0.000 1.115 136 G CA 0.775 45.593 45.100 -0.471 0.000 0.757 136 G HN 0.493 nan 8.290 nan 0.000 0.560 137 A N -0.609 122.076 122.820 -0.224 0.000 2.208 137 A HA 0.483 4.803 4.320 -0.000 0.000 0.209 137 A C 1.882 179.389 177.584 -0.130 0.000 1.161 137 A CA 1.305 53.257 52.037 -0.141 0.000 0.782 137 A CB -0.213 18.722 19.000 -0.109 0.000 0.816 137 A HN 1.550 nan 8.150 nan 0.000 0.477 138 G N -1.618 107.095 108.800 -0.145 0.000 2.135 138 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.183 138 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.183 138 G C 0.061 174.890 174.900 -0.119 0.000 1.004 138 G CA 0.035 45.057 45.100 -0.131 0.000 0.677 138 G HN 0.174 nan 8.290 nan 0.000 0.512 139 M N 0.360 119.889 119.600 -0.118 0.000 2.250 139 M HA 0.221 4.701 4.480 -0.000 0.000 0.325 139 M C 1.433 177.682 176.300 -0.085 0.000 1.084 139 M CA -0.097 55.149 55.300 -0.090 0.000 1.161 139 M CB 0.147 32.694 32.600 -0.089 0.000 1.481 139 M HN 0.059 nan 8.290 nan 0.000 0.449 140 L N 2.275 123.468 121.223 -0.050 0.000 2.533 140 L HA 0.287 4.627 4.340 -0.000 0.000 0.239 140 L C 0.186 177.054 176.870 -0.004 0.000 1.376 140 L CA -0.222 54.600 54.840 -0.031 0.000 1.240 140 L CB -1.576 40.476 42.059 -0.012 0.000 1.487 140 L HN 0.734 nan 8.230 nan 0.000 0.419 141 A N -0.287 122.505 122.820 -0.047 0.000 2.609 141 A HA 0.845 5.165 4.320 -0.000 0.000 0.291 141 A C 0.131 177.602 177.584 -0.188 0.000 1.096 141 A CA 0.087 52.106 52.037 -0.030 0.000 0.684 141 A CB 1.961 20.974 19.000 0.022 0.000 1.282 141 A HN 0.325 nan 8.150 nan 0.000 0.412 142 G N -0.764 107.889 108.800 -0.245 0.000 2.596 142 G HA2 0.226 4.186 3.960 -0.000 0.000 0.233 142 G HA3 0.226 4.186 3.960 -0.000 0.000 0.233 142 G C 0.064 175.000 174.900 0.060 0.000 2.234 142 G CA 0.050 45.150 45.100 -0.000 0.000 0.878 142 G HN 0.634 nan 8.290 nan 0.000 0.491 143 F N 1.835 121.842 119.950 0.095 0.000 2.091 143 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 143 F C 2.839 178.653 175.800 0.023 0.000 1.103 143 F CA 1.939 59.991 58.000 0.086 0.000 1.228 143 F CB 0.008 38.979 39.000 -0.048 0.000 0.984 143 F HN 0.506 nan 8.300 nan 0.000 0.477 144 E N 0.466 120.759 120.200 0.156 0.000 2.267 144 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 144 E C 2.370 179.033 176.600 0.106 0.000 0.998 144 E CA 1.207 57.653 56.400 0.076 0.000 0.830 144 E CB -1.470 28.299 29.700 0.116 0.000 0.751 144 E HN 0.397 nan 8.360 nan 0.000 0.491 145 G N 2.495 111.393 108.800 0.163 0.000 2.639 145 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 145 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 145 G C -0.678 174.251 174.900 0.047 0.000 1.267 145 G CA 1.313 46.497 45.100 0.140 0.000 0.801 145 G HN 0.365 nan 8.290 nan 0.000 0.592 146 P HA -0.107 nan 4.420 nan 0.000 0.214 146 P C 2.400 179.579 177.300 -0.202 0.000 1.163 146 P CA 2.760 65.763 63.100 -0.163 0.000 0.883 146 P CB -0.531 30.941 31.700 -0.380 0.000 0.788 147 T N -3.108 111.347 114.554 -0.164 0.000 2.881 147 T HA -0.112 4.238 4.350 -0.000 0.000 0.270 147 T C 1.826 176.465 174.700 -0.102 0.000 1.068 147 T CA 1.050 63.061 62.100 -0.149 0.000 1.131 147 T CB -1.224 67.591 68.868 -0.089 0.000 0.871 147 T HN 0.032 nan 8.240 nan 0.000 0.479 148 I N 0.311 120.841 120.570 -0.067 0.000 2.333 148 I HA -0.056 4.113 4.170 -0.000 0.000 0.246 148 I C 3.103 179.186 176.117 -0.056 0.000 1.106 148 I CA 0.997 62.264 61.300 -0.055 0.000 1.411 148 I CB -0.307 37.671 38.000 -0.038 0.000 1.082 148 I HN 0.286 nan 8.210 nan 0.000 0.420 149 Q N 0.412 120.179 119.800 -0.056 0.000 2.083 149 Q HA -0.134 4.206 4.340 -0.000 0.000 0.198 149 Q C 2.381 178.341 176.000 -0.066 0.000 0.969 149 Q CA 1.295 57.067 55.803 -0.052 0.000 0.838 149 Q CB 0.080 28.794 28.738 -0.040 0.000 0.900 149 Q HN 0.460 nan 8.270 nan 0.000 0.436 150 M N -0.590 118.951 119.600 -0.097 0.000 2.202 150 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 150 M C 2.031 178.275 176.300 -0.092 0.000 1.063 150 M CA 1.431 56.668 55.300 -0.104 0.000 1.097 150 M CB -0.406 32.092 32.600 -0.169 0.000 1.382 150 M HN 0.304 nan 8.290 nan 0.000 0.413 151 G N -0.010 108.735 108.800 -0.091 0.000 2.433 151 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.216 151 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.216 151 G C 1.494 176.348 174.900 -0.077 0.000 1.186 151 G CA 0.920 45.970 45.100 -0.085 0.000 0.779 151 G HN 0.540 nan 8.290 nan 0.000 0.543 152 G N 0.624 109.386 108.800 -0.063 0.000 2.440 152 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 152 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 152 G C 2.150 177.011 174.900 -0.066 0.000 1.154 152 G CA 1.565 46.630 45.100 -0.059 0.000 0.767 152 G HN 0.427 nan 8.290 nan 0.000 0.552 153 S N 0.614 116.287 115.700 -0.045 0.000 2.353 153 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 153 S C 2.282 176.833 174.600 -0.081 0.000 1.035 153 S CA 1.188 59.393 58.200 0.008 0.000 1.025 153 S CB -0.304 62.932 63.200 0.060 0.000 0.902 153 S HN 0.389 nan 8.310 nan 0.000 0.440 154 I N 1.511 122.006 120.570 -0.124 0.000 2.264 154 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 154 I C 2.681 178.667 176.117 -0.219 0.000 1.111 154 I CA 1.170 62.348 61.300 -0.204 0.000 1.382 154 I CB -0.915 36.986 38.000 -0.166 0.000 1.060 154 I HN 0.386 nan 8.210 nan 0.000 0.418 155 G N -0.118 108.590 108.800 -0.154 0.000 2.442 155 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 155 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 155 G C 1.582 176.402 174.900 -0.133 0.000 1.141 155 G CA 0.792 45.810 45.100 -0.138 0.000 0.763 155 G HN 0.446 nan 8.290 nan 0.000 0.554 156 Q N -0.729 119.001 119.800 -0.117 0.000 2.096 156 Q HA 0.060 4.400 4.340 -0.000 0.000 0.197 156 Q C 2.403 178.262 176.000 -0.234 0.000 0.964 156 Q CA 0.693 56.452 55.803 -0.072 0.000 0.838 156 Q CB -0.241 28.515 28.738 0.030 0.000 0.906 156 Q HN 0.432 nan 8.270 nan 0.000 0.444 157 M N 0.841 120.117 119.600 -0.540 0.000 2.213 157 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 157 M C 1.759 177.680 176.300 -0.630 0.000 1.062 157 M CA 2.141 56.684 55.300 -1.263 0.000 1.105 157 M CB -0.319 31.340 32.600 -1.569 0.000 1.385 157 M HN 0.346 nan 8.290 nan 0.000 0.417 158 T N -3.576 110.771 114.554 -0.345 0.000 3.057 158 T HA 0.148 4.497 4.350 -0.000 0.000 0.254 158 T C 1.799 176.496 174.700 -0.005 0.000 1.094 158 T CA 0.695 62.709 62.100 -0.143 0.000 1.088 158 T CB -0.624 68.090 68.868 -0.257 0.000 0.934 158 T HN 0.445 nan 8.240 nan 0.000 0.497 159 G N 1.315 110.074 108.800 -0.068 0.000 2.408 159 G HA2 0.120 4.080 3.960 -0.000 0.000 0.217 159 G HA3 0.120 4.080 3.960 -0.000 0.000 0.217 159 G C 1.562 176.537 174.900 0.126 0.000 1.150 159 G CA 0.552 45.665 45.100 0.022 0.000 0.776 159 G HN 0.607 nan 8.290 nan 0.000 0.542 160 G N -0.129 108.730 108.800 0.099 0.000 2.394 160 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 160 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 160 G C 1.580 176.601 174.900 0.201 0.000 1.176 160 G CA 0.773 45.962 45.100 0.149 0.000 0.786 160 G HN 0.346 nan 8.290 nan 0.000 0.533 161 W N 0.849 122.171 121.300 0.037 0.000 2.331 161 W HA -0.060 4.599 4.660 -0.000 0.000 0.291 161 W C 1.220 177.782 176.519 0.071 0.000 1.214 161 W CA 0.749 58.128 57.345 0.057 0.000 1.228 161 W CB -0.374 29.126 29.460 0.067 0.000 1.135 161 W HN 0.214 nan 8.180 nan 0.000 0.537 162 F N 1.015 121.118 119.950 0.254 0.000 2.765 162 F HA 0.115 4.642 4.527 -0.000 0.000 0.302 162 F C 1.082 176.933 175.800 0.085 0.000 1.111 162 F CA 0.681 58.783 58.000 0.170 0.000 1.359 162 F CB -0.582 38.487 39.000 0.116 0.000 1.097 162 F HN -0.344 nan 8.300 nan 0.000 0.577 163 K N 0.290 120.805 120.400 0.191 0.000 3.156 163 K HA -0.207 4.113 4.320 -0.000 0.000 0.266 163 K C 0.148 176.830 176.600 0.137 0.000 0.966 163 K CA 0.616 56.973 56.287 0.116 0.000 0.719 163 K CB -1.702 30.826 32.500 0.048 0.000 1.333 163 K HN 0.258 nan 8.250 nan 0.000 0.468 164 A N 0.380 123.299 122.820 0.165 0.000 2.386 164 A HA 0.439 4.759 4.320 -0.000 0.000 0.248 164 A C 1.158 178.800 177.584 0.096 0.000 1.082 164 A CA 0.268 52.390 52.037 0.141 0.000 0.789 164 A CB 0.264 19.339 19.000 0.124 0.000 1.025 164 A HN 0.559 nan 8.150 nan 0.000 0.490 165 T N -0.441 114.158 114.554 0.074 0.000 2.619 165 T HA 0.017 4.367 4.350 -0.000 0.000 0.330 165 T C 1.172 175.908 174.700 0.060 0.000 1.037 165 T CA 0.684 62.814 62.100 0.050 0.000 1.005 165 T CB 0.296 69.175 68.868 0.019 0.000 1.084 165 T HN 0.630 nan 8.240 nan 0.000 0.521 166 Q N 0.249 120.079 119.800 0.051 0.000 1.993 166 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 166 Q C 2.263 178.309 176.000 0.076 0.000 0.984 166 Q CA 2.244 58.083 55.803 0.060 0.000 0.837 166 Q CB -0.609 28.156 28.738 0.044 0.000 0.902 166 Q HN 0.841 nan 8.270 nan 0.000 0.423 167 E N 0.490 120.732 120.200 0.070 0.000 2.051 167 E HA -0.142 4.207 4.350 -0.000 0.000 0.192 167 E C 1.773 178.434 176.600 0.102 0.000 0.991 167 E CA 1.247 57.707 56.400 0.100 0.000 0.799 167 E CB -0.272 29.480 29.700 0.086 0.000 0.748 167 E HN 0.331 nan 8.360 nan 0.000 0.449 168 N N 0.484 119.223 118.700 0.065 0.000 2.192 168 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 168 N C 1.605 177.148 175.510 0.055 0.000 1.013 168 N CA 0.948 54.029 53.050 0.051 0.000 0.863 168 N CB -0.144 38.384 38.487 0.068 0.000 0.990 168 N HN 0.234 nan 8.380 nan 0.000 0.430 169 Q N 0.258 120.106 119.800 0.080 0.000 2.172 169 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 169 Q C 1.802 177.872 176.000 0.116 0.000 0.964 169 Q CA 0.735 56.589 55.803 0.086 0.000 0.855 169 Q CB 0.162 28.964 28.738 0.106 0.000 0.918 169 Q HN 0.418 nan 8.270 nan 0.000 0.444 170 R N 0.128 120.726 120.500 0.162 0.000 2.073 170 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 170 R C 2.329 178.790 176.300 0.269 0.000 1.134 170 R CA 1.140 57.383 56.100 0.239 0.000 0.952 170 R CB -0.523 29.949 30.300 0.287 0.000 0.850 170 R HN 0.290 nan 8.270 nan 0.000 0.433 171 I N 1.365 122.045 120.570 0.183 0.000 2.118 171 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 171 I C 2.503 178.618 176.117 -0.002 0.000 1.070 171 I CA 1.517 62.797 61.300 -0.034 0.000 1.327 171 I CB -0.414 37.448 38.000 -0.230 0.000 1.034 171 I HN 0.142 nan 8.210 nan 0.000 0.405 172 L N 0.306 121.521 121.223 -0.014 0.000 2.081 172 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 172 L C 2.503 179.357 176.870 -0.027 0.000 1.080 172 L CA 1.521 56.331 54.840 -0.051 0.000 0.754 172 L CB -0.460 41.549 42.059 -0.084 0.000 0.893 172 L HN 0.289 nan 8.230 nan 0.000 0.433 173 I N -0.508 120.077 120.570 0.024 0.000 2.252 173 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 173 I C 2.788 178.933 176.117 0.047 0.000 1.102 173 I CA 1.005 62.318 61.300 0.023 0.000 1.385 173 I CB -0.452 37.578 38.000 0.050 0.000 1.064 173 I HN 0.190 nan 8.210 nan 0.000 0.414 174 A N 0.641 123.531 122.820 0.116 0.000 1.902 174 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 174 A C 2.447 180.076 177.584 0.074 0.000 1.181 174 A CA 1.596 53.723 52.037 0.150 0.000 0.623 174 A CB -0.944 18.266 19.000 0.349 0.000 0.818 174 A HN 0.219 nan 8.150 nan 0.000 0.443 175 V N 0.058 119.992 119.914 0.033 0.000 2.255 175 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 175 V C 2.858 178.938 176.094 -0.024 0.000 1.051 175 V CA 2.146 64.443 62.300 -0.005 0.000 1.018 175 V CB -1.570 30.232 31.823 -0.035 0.000 0.641 175 V HN 0.620 nan 8.190 nan 0.000 0.445 176 G N -0.503 108.273 108.800 -0.040 0.000 2.476 176 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 176 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 176 G C 1.784 176.656 174.900 -0.046 0.000 1.164 176 G CA 1.295 46.360 45.100 -0.058 0.000 0.768 176 G HN 0.646 nan 8.290 nan 0.000 0.560 177 A N 0.837 123.642 122.820 -0.025 0.000 1.883 177 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 177 A C 2.736 180.303 177.584 -0.028 0.000 1.186 177 A CA 2.307 54.330 52.037 -0.024 0.000 0.624 177 A CB -1.187 17.813 19.000 -0.001 0.000 0.822 177 A HN 0.592 nan 8.150 nan 0.000 0.444 178 G N -0.662 108.130 108.800 -0.014 0.000 2.433 178 G HA2 0.011 3.971 3.960 -0.000 0.000 0.216 178 G HA3 0.011 3.971 3.960 -0.000 0.000 0.216 178 G C 1.786 176.666 174.900 -0.034 0.000 1.186 178 G CA 1.525 46.613 45.100 -0.020 0.000 0.779 178 G HN 0.878 nan 8.290 nan 0.000 0.543 179 A N 0.869 123.666 122.820 -0.037 0.000 1.978 179 A HA 0.092 4.412 4.320 -0.000 0.000 0.220 179 A C 2.670 180.221 177.584 -0.056 0.000 1.170 179 A CA 2.175 54.184 52.037 -0.046 0.000 0.636 179 A CB -1.036 17.932 19.000 -0.053 0.000 0.810 179 A HN 0.569 nan 8.150 nan 0.000 0.448 180 G N -0.289 108.474 108.800 -0.061 0.000 2.418 180 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 180 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 180 G C 1.478 176.334 174.900 -0.073 0.000 1.158 180 G CA 1.233 46.290 45.100 -0.072 0.000 0.771 180 G HN 0.512 nan 8.290 nan 0.000 0.545 181 L N 1.223 122.410 121.223 -0.061 0.000 2.072 181 L HA 0.280 4.619 4.340 -0.000 0.000 0.205 181 L C 3.051 179.925 176.870 0.005 0.000 1.079 181 L CA 1.998 56.812 54.840 -0.043 0.000 0.752 181 L CB -0.705 41.307 42.059 -0.078 0.000 0.906 181 L HN 0.217 nan 8.230 nan 0.000 0.436 182 A N -1.562 121.251 122.820 -0.011 0.000 1.978 182 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 182 A C 2.238 179.811 177.584 -0.019 0.000 1.170 182 A CA 2.305 54.343 52.037 0.002 0.000 0.636 182 A CB -1.144 17.846 19.000 -0.018 0.000 0.810 182 A HN 0.517 nan 8.150 nan 0.000 0.448 183 T N -0.280 114.237 114.554 -0.060 0.000 2.985 183 T HA 0.158 4.508 4.350 -0.000 0.000 0.266 183 T C 2.054 176.658 174.700 -0.159 0.000 1.076 183 T CA 1.086 63.130 62.100 -0.092 0.000 1.135 183 T CB -0.184 68.628 68.868 -0.094 0.000 0.890 183 T HN 0.567 nan 8.240 nan 0.000 0.480 184 A N 0.206 122.888 122.820 -0.230 0.000 2.067 184 A HA 0.244 4.564 4.320 -0.000 0.000 0.217 184 A C 1.177 178.359 177.584 -0.671 0.000 1.156 184 A CA 0.769 52.514 52.037 -0.487 0.000 0.683 184 A CB -0.291 18.338 19.000 -0.618 0.000 0.808 184 A HN 0.506 nan 8.150 nan 0.000 0.455 185 F N -1.613 118.330 119.950 -0.011 0.000 2.825 185 F HA 0.272 4.799 4.527 -0.000 0.000 0.322 185 F C 0.587 176.377 175.800 -0.017 0.000 1.127 185 F CA -0.636 57.364 58.000 0.000 0.000 1.164 185 F CB -0.177 38.823 39.000 0.001 0.000 1.101 185 F HN 0.215 nan 8.300 nan 0.000 0.529 186 N N 2.138 120.885 118.700 0.079 0.000 2.714 186 N HA -0.230 4.510 4.740 -0.000 0.000 0.252 186 N C -0.632 174.912 175.510 0.057 0.000 1.014 186 N CA 0.797 53.872 53.050 0.042 0.000 0.735 186 N CB -0.787 37.717 38.487 0.029 0.000 0.924 186 N HN 0.375 nan 8.380 nan 0.000 0.540 187 A N 0.238 123.100 122.820 0.070 0.000 2.763 187 A HA 0.579 4.899 4.320 -0.000 0.000 0.325 187 A C -1.609 175.983 177.584 0.012 0.000 1.209 187 A CA -1.011 51.054 52.037 0.047 0.000 0.764 187 A CB 1.246 20.290 19.000 0.072 0.000 1.120 187 A HN 0.195 nan 8.150 nan 0.000 0.463 188 P HA -0.194 nan 4.420 nan 0.000 0.212 188 P C 1.695 178.968 177.300 -0.045 0.000 1.178 188 P CA 1.013 64.094 63.100 -0.030 0.000 0.915 188 P CB 0.076 31.752 31.700 -0.039 0.000 0.788 189 L N -1.218 119.973 121.223 -0.053 0.000 2.081 189 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 189 L C 2.479 179.314 176.870 -0.057 0.000 1.080 189 L CA 1.787 56.587 54.840 -0.068 0.000 0.754 189 L CB -1.294 40.727 42.059 -0.064 0.000 0.893 189 L HN -0.014 nan 8.230 nan 0.000 0.433 190 A N 0.503 123.300 122.820 -0.039 0.000 1.858 190 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 190 A C 2.452 180.012 177.584 -0.040 0.000 1.190 190 A CA 1.845 53.861 52.037 -0.036 0.000 0.617 190 A CB -1.386 17.592 19.000 -0.036 0.000 0.827 190 A HN 0.433 nan 8.150 nan 0.000 0.443 191 G N -0.507 108.270 108.800 -0.037 0.000 2.469 191 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 191 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 191 G C 1.530 176.407 174.900 -0.039 0.000 1.150 191 G CA 1.476 46.552 45.100 -0.040 0.000 0.763 191 G HN 0.354 nan 8.290 nan 0.000 0.561 192 V N 1.523 121.401 119.914 -0.060 0.000 2.295 192 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 192 V C 3.331 179.374 176.094 -0.085 0.000 1.049 192 V CA 2.128 64.372 62.300 -0.093 0.000 1.024 192 V CB -0.958 30.771 31.823 -0.155 0.000 0.648 192 V HN 0.491 nan 8.190 nan 0.000 0.447 193 A N -0.310 122.468 122.820 -0.070 0.000 1.972 193 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 193 A C 2.126 179.724 177.584 0.022 0.000 1.169 193 A CA 1.873 53.889 52.037 -0.035 0.000 0.635 193 A CB -0.534 18.451 19.000 -0.025 0.000 0.810 193 A HN 0.453 nan 8.150 nan 0.000 0.446 194 L N -0.122 121.115 121.223 0.023 0.000 1.956 194 L HA -0.200 4.139 4.340 -0.000 0.000 0.216 194 L C 2.139 179.059 176.870 0.083 0.000 1.073 194 L CA 2.207 57.081 54.840 0.057 0.000 0.762 194 L CB -0.691 41.373 42.059 0.009 0.000 0.889 194 L HN 0.299 nan 8.230 nan 0.000 0.433 195 I N 0.390 121.006 120.570 0.076 0.000 2.194 195 I HA -0.218 3.952 4.170 -0.000 0.000 0.246 195 I C 2.469 178.694 176.117 0.180 0.000 1.093 195 I CA 1.641 63.015 61.300 0.123 0.000 1.355 195 I CB -1.509 36.584 38.000 0.155 0.000 1.046 195 I HN 0.420 nan 8.210 nan 0.000 0.413 196 G N -0.638 108.264 108.800 0.170 0.000 2.484 196 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.215 196 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.215 196 G C 1.566 176.607 174.900 0.234 0.000 1.219 196 G CA 0.942 46.189 45.100 0.245 0.000 0.791 196 G HN 0.443 nan 8.290 nan 0.000 0.550 197 E N -0.193 120.085 120.200 0.130 0.000 2.004 197 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 197 E C 0.754 177.427 176.600 0.121 0.000 0.985 197 E CA 0.170 56.624 56.400 0.090 0.000 0.832 197 E CB -0.075 29.669 29.700 0.072 0.000 0.787 197 E HN 0.188 nan 8.360 nan 0.000 0.466 198 E N 0.512 120.797 120.200 0.142 0.000 2.366 198 E HA -0.037 4.313 4.350 -0.000 0.000 0.266 198 E C 0.054 176.745 176.600 0.151 0.000 1.051 198 E CA 0.187 56.686 56.400 0.165 0.000 0.884 198 E CB 1.063 30.896 29.700 0.222 0.000 1.006 198 E HN 0.464 nan 8.360 nan 0.000 0.417 199 M N 3.023 122.706 119.600 0.138 0.000 2.620 199 M HA -0.265 4.215 4.480 -0.000 0.000 0.208 199 M C -1.007 175.351 176.300 0.096 0.000 0.468 199 M CA 0.405 55.762 55.300 0.095 0.000 0.603 199 M CB -1.249 31.386 32.600 0.058 0.000 2.246 199 M HN 0.604 nan 8.290 nan 0.000 0.753 200 H N 2.360 121.443 119.070 0.022 0.000 3.191 200 H HA 0.415 4.971 4.556 -0.000 0.000 0.261 200 H C -1.999 173.280 175.328 -0.082 0.000 1.013 200 H CA -0.347 55.700 56.048 -0.002 0.000 1.457 200 H CB 0.524 30.299 29.762 0.022 0.000 1.535 200 H HN 0.330 nan 8.280 nan 0.000 0.518 201 P HA 0.290 nan 4.420 nan 0.000 0.310 201 P C 0.386 177.224 177.300 -0.770 0.000 1.309 201 P CA -0.584 62.138 63.100 -0.630 0.000 0.769 201 P CB 1.858 33.014 31.700 -0.907 0.000 1.327 202 R N -1.255 118.839 120.500 -0.677 0.000 2.024 202 R HA 0.295 4.635 4.340 -0.000 0.000 0.216 202 R C 0.014 176.153 176.300 -0.269 0.000 1.259 202 R CA 0.107 55.971 56.100 -0.394 0.000 1.001 202 R CB -0.597 29.584 30.300 -0.199 0.000 0.881 202 R HN 0.429 nan 8.270 nan 0.000 0.459 203 F N 1.316 121.233 119.950 -0.055 0.000 2.197 203 F HA -0.238 4.289 4.527 -0.000 0.000 0.364 203 F C 0.087 175.866 175.800 -0.035 0.000 1.124 203 F CA -0.113 57.865 58.000 -0.035 0.000 1.235 203 F CB -0.403 38.576 39.000 -0.035 0.000 1.829 203 F HN 0.304 nan 8.300 nan 0.000 0.763 204 R N 1.897 122.488 120.500 0.152 0.000 2.500 204 R HA 0.467 4.807 4.340 -0.000 0.000 0.299 204 R C -0.050 176.280 176.300 0.050 0.000 1.038 204 R CA -0.365 55.778 56.100 0.072 0.000 0.903 204 R CB 1.520 31.844 30.300 0.039 0.000 1.177 204 R HN 0.329 nan 8.270 nan 0.000 0.455 205 S N 2.658 118.377 115.700 0.032 0.000 2.572 205 S HA 0.039 4.509 4.470 -0.000 0.000 0.228 205 S C 0.021 174.638 174.600 0.027 0.000 0.963 205 S CA -0.246 57.973 58.200 0.031 0.000 0.939 205 S CB 0.435 63.644 63.200 0.014 0.000 0.804 205 S HN 0.628 nan 8.310 nan 0.000 0.480 206 Q N 1.531 121.350 119.800 0.031 0.000 3.025 206 Q HA 0.069 4.409 4.340 -0.000 0.000 0.251 206 Q C 1.118 177.108 176.000 -0.017 0.000 1.348 206 Q CA 0.009 55.811 55.803 -0.003 0.000 0.906 206 Q CB -0.428 28.300 28.738 -0.016 0.000 1.764 206 Q HN 0.154 nan 8.270 nan 0.000 0.535 207 T N 0.656 115.199 114.554 -0.018 0.000 3.072 207 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 207 T C 0.964 175.561 174.700 -0.172 0.000 1.127 207 T CA 0.294 62.360 62.100 -0.057 0.000 1.107 207 T CB 0.151 68.965 68.868 -0.090 0.000 0.910 207 T HN 0.355 nan 8.240 nan 0.000 0.513 208 L N 1.816 122.979 121.223 -0.101 0.000 2.930 208 L HA 0.317 4.657 4.340 -0.000 0.000 0.250 208 L C 1.912 178.785 176.870 0.005 0.000 1.320 208 L CA 0.222 55.052 54.840 -0.017 0.000 1.163 208 L CB -1.470 40.576 42.059 -0.021 0.000 1.542 208 L HN 0.268 nan 8.230 nan 0.000 0.428 209 A N -1.703 121.053 122.820 -0.106 0.000 2.208 209 A HA -0.112 4.208 4.320 -0.000 0.000 0.209 209 A C 1.724 179.358 177.584 0.083 0.000 1.161 209 A CA 0.222 52.149 52.037 -0.184 0.000 0.782 209 A CB -0.236 18.305 19.000 -0.765 0.000 0.816 209 A HN 0.352 nan 8.150 nan 0.000 0.477 210 Y N 0.293 120.585 120.300 -0.013 0.000 2.128 210 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 210 Y C 2.420 178.288 175.900 -0.052 0.000 1.154 210 Y CA 1.605 59.697 58.100 -0.013 0.000 1.149 210 Y CB -1.241 37.214 38.460 -0.010 0.000 0.976 210 Y HN 0.554 nan 8.280 nan 0.000 0.505 211 H N -1.003 118.123 119.070 0.093 0.000 2.319 211 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 211 H C 2.436 177.783 175.328 0.031 0.000 1.092 211 H CA 1.983 58.020 56.048 -0.019 0.000 1.302 211 H CB -0.484 29.268 29.762 -0.016 0.000 1.373 211 H HN 0.140 nan 8.280 nan 0.000 0.497 212 S N 0.318 116.135 115.700 0.195 0.000 2.370 212 S HA -0.162 4.307 4.470 -0.000 0.000 0.226 212 S C 2.280 176.936 174.600 0.093 0.000 1.033 212 S CA 1.205 59.489 58.200 0.139 0.000 1.011 212 S CB -0.405 62.806 63.200 0.018 0.000 0.852 212 S HN 0.235 nan 8.310 nan 0.000 0.457 213 L N 1.009 122.260 121.223 0.046 0.000 1.976 213 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 213 L C 2.401 179.265 176.870 -0.011 0.000 1.071 213 L CA 1.285 56.131 54.840 0.010 0.000 0.746 213 L CB -0.716 41.337 42.059 -0.009 0.000 0.890 213 L HN 0.285 nan 8.230 nan 0.000 0.432 214 L N -1.521 119.664 121.223 -0.064 0.000 1.990 214 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 214 L C 2.628 179.477 176.870 -0.035 0.000 1.072 214 L CA 1.399 56.169 54.840 -0.117 0.000 0.755 214 L CB -0.747 41.166 42.059 -0.244 0.000 0.889 214 L HN 0.106 nan 8.230 nan 0.000 0.432 215 F N 0.828 120.747 119.950 -0.052 0.000 2.065 215 F HA -0.206 4.320 4.527 -0.000 0.000 0.298 215 F C 2.501 178.263 175.800 -0.063 0.000 1.112 215 F CA 1.510 59.481 58.000 -0.049 0.000 1.212 215 F CB -1.392 37.585 39.000 -0.038 0.000 0.975 215 F HN 0.040 nan 8.300 nan 0.000 0.476 216 G N -1.264 107.626 108.800 0.150 0.000 2.446 216 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 216 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 216 G C 1.895 176.800 174.900 0.009 0.000 1.168 216 G CA 1.232 46.351 45.100 0.031 0.000 0.771 216 G HN 0.465 nan 8.290 nan 0.000 0.551 217 C N -0.260 119.043 119.300 0.006 0.000 2.453 217 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 217 C C 3.050 178.035 174.990 -0.009 0.000 1.262 217 C CA 0.647 59.656 59.018 -0.016 0.000 1.718 217 C CB -0.971 26.749 27.740 -0.033 0.000 2.031 217 C HN 0.296 nan 8.230 nan 0.000 0.480 218 V N 1.257 121.175 119.914 0.007 0.000 2.219 218 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 218 V C 2.561 178.663 176.094 0.014 0.000 1.053 218 V CA 2.292 64.599 62.300 0.012 0.000 1.009 218 V CB -0.720 31.127 31.823 0.040 0.000 0.636 218 V HN 0.448 nan 8.190 nan 0.000 0.445 219 M N -0.180 119.439 119.600 0.031 0.000 2.089 219 M HA -0.252 4.228 4.480 -0.000 0.000 0.257 219 M C 2.418 178.703 176.300 -0.025 0.000 1.071 219 M CA 2.541 57.840 55.300 -0.002 0.000 1.096 219 M CB -1.777 30.810 32.600 -0.022 0.000 1.330 219 M HN 0.463 nan 8.290 nan 0.000 0.403 220 A N 0.292 123.094 122.820 -0.030 0.000 1.892 220 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 220 A C 2.329 179.889 177.584 -0.040 0.000 1.188 220 A CA 3.118 55.130 52.037 -0.043 0.000 0.631 220 A CB -1.298 17.675 19.000 -0.046 0.000 0.822 220 A HN 0.664 nan 8.150 nan 0.000 0.447 221 T N -2.184 112.352 114.554 -0.030 0.000 2.942 221 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 221 T C 1.827 176.512 174.700 -0.026 0.000 1.062 221 T CA 1.149 63.232 62.100 -0.028 0.000 1.139 221 T CB -0.518 68.338 68.868 -0.020 0.000 0.883 221 T HN 0.350 nan 8.240 nan 0.000 0.468 222 I N 0.776 121.333 120.570 -0.022 0.000 2.226 222 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 222 I C 2.426 178.528 176.117 -0.026 0.000 1.100 222 I CA 1.058 62.346 61.300 -0.020 0.000 1.374 222 I CB -0.349 37.643 38.000 -0.014 0.000 1.057 222 I HN 0.215 nan 8.210 nan 0.000 0.413 223 I N 0.444 120.994 120.570 -0.033 0.000 2.252 223 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 223 I C 2.465 178.558 176.117 -0.041 0.000 1.102 223 I CA 1.273 62.550 61.300 -0.038 0.000 1.385 223 I CB -1.058 36.914 38.000 -0.047 0.000 1.064 223 I HN 0.289 nan 8.210 nan 0.000 0.414 224 L N 1.156 122.353 121.223 -0.044 0.000 2.079 224 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 224 L C 2.503 179.348 176.870 -0.042 0.000 1.081 224 L CA 1.831 56.641 54.840 -0.050 0.000 0.752 224 L CB -0.556 41.470 42.059 -0.055 0.000 0.896 224 L HN 0.277 nan 8.230 nan 0.000 0.433 225 R N -1.108 119.373 120.500 -0.032 0.000 2.127 225 R HA -0.015 4.325 4.340 -0.000 0.000 0.217 225 R C 2.249 178.535 176.300 -0.023 0.000 1.074 225 R CA 0.927 57.013 56.100 -0.025 0.000 0.991 225 R CB -0.094 30.194 30.300 -0.019 0.000 0.895 225 R HN 0.383 nan 8.270 nan 0.000 0.450 226 M N 0.163 119.748 119.600 -0.025 0.000 2.213 226 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 226 M C 1.965 178.250 176.300 -0.025 0.000 1.062 226 M CA 1.659 56.945 55.300 -0.023 0.000 1.105 226 M CB -0.051 32.534 32.600 -0.025 0.000 1.385 226 M HN 0.132 nan 8.290 nan 0.000 0.417 227 I N -0.408 120.144 120.570 -0.030 0.000 2.494 227 I HA -0.168 4.002 4.170 -0.000 0.000 0.250 227 I C 1.853 177.952 176.117 -0.031 0.000 1.112 227 I CA 1.045 62.326 61.300 -0.032 0.000 1.438 227 I CB -0.026 37.951 38.000 -0.039 0.000 1.111 227 I HN 0.328 nan 8.210 nan 0.000 0.431 228 R N -0.046 120.434 120.500 -0.034 0.000 2.526 228 R HA 0.314 4.654 4.340 -0.000 0.000 0.346 228 R C 1.034 177.319 176.300 -0.024 0.000 0.926 228 R CA 0.016 56.097 56.100 -0.032 0.000 1.147 228 R CB -0.458 29.814 30.300 -0.047 0.000 1.629 228 R HN 0.091 nan 8.270 nan 0.000 0.516 229 G N 1.263 110.049 108.800 -0.023 0.000 2.466 229 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.279 229 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.279 229 G C 0.105 175.000 174.900 -0.009 0.000 1.410 229 G CA -0.051 45.039 45.100 -0.016 0.000 1.065 229 G HN 0.289 nan 8.290 nan 0.000 0.547 230 Q N -1.324 118.473 119.800 -0.006 0.000 2.317 230 Q HA 0.156 4.496 4.340 -0.000 0.000 0.220 230 Q C 1.302 177.302 176.000 -0.001 0.000 0.873 230 Q CA 0.228 56.027 55.803 -0.006 0.000 0.936 230 Q CB 0.073 28.806 28.738 -0.007 0.000 1.105 230 Q HN 0.608 nan 8.270 nan 0.000 0.520 231 S N 0.081 115.783 115.700 0.002 0.000 2.580 231 S HA 0.498 4.968 4.470 -0.000 0.000 0.266 231 S C 0.480 175.088 174.600 0.013 0.000 1.354 231 S CA -0.277 57.927 58.200 0.007 0.000 1.008 231 S CB 1.132 64.338 63.200 0.010 0.000 0.898 231 S HN 0.349 nan 8.310 nan 0.000 0.555 232 A N 1.380 124.209 122.820 0.016 0.000 2.292 232 A HA 0.461 4.781 4.320 -0.000 0.000 0.265 232 A C 1.491 179.094 177.584 0.033 0.000 1.133 232 A CA -0.675 51.377 52.037 0.024 0.000 0.807 232 A CB -0.317 18.693 19.000 0.017 0.000 1.102 232 A HN 0.790 nan 8.150 nan 0.000 0.502 233 I N -0.819 119.781 120.570 0.050 0.000 2.252 233 I HA 0.025 4.195 4.170 -0.000 0.000 0.245 233 I C 1.051 177.187 176.117 0.032 0.000 1.102 233 I CA 1.851 63.192 61.300 0.067 0.000 1.385 233 I CB -0.576 37.498 38.000 0.124 0.000 1.064 233 I HN 0.550 nan 8.210 nan 0.000 0.414 234 I N 0.256 120.819 120.570 -0.011 0.000 2.628 234 I HA 0.095 4.265 4.170 -0.000 0.000 0.271 234 I C -0.179 175.898 176.117 -0.066 0.000 1.237 234 I CA -0.101 61.164 61.300 -0.057 0.000 1.036 234 I CB 0.835 38.744 38.000 -0.151 0.000 1.285 234 I HN -0.165 nan 8.210 nan 0.000 0.500 235 S N 6.980 122.669 115.700 -0.018 0.000 2.465 235 S HA 0.413 4.882 4.470 -0.000 0.000 0.280 235 S C 0.104 174.717 174.600 0.021 0.000 1.232 235 S CA -0.070 58.131 58.200 0.001 0.000 1.066 235 S CB 0.063 63.269 63.200 0.010 0.000 0.929 235 S HN 0.616 nan 8.310 nan 0.000 0.494 236 L N 5.316 126.570 121.223 0.052 0.000 2.999 236 L HA 0.258 4.598 4.340 -0.000 0.000 0.263 236 L C 1.629 178.588 176.870 0.148 0.000 1.320 236 L CA -0.354 54.583 54.840 0.161 0.000 0.913 236 L CB 0.295 42.509 42.059 0.258 0.000 1.296 236 L HN 0.624 nan 8.230 nan 0.000 0.546 237 T N -0.081 114.504 114.554 0.052 0.000 3.072 237 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 237 T C 1.517 176.215 174.700 -0.003 0.000 1.127 237 T CA 1.359 63.507 62.100 0.081 0.000 1.107 237 T CB 0.103 69.014 68.868 0.072 0.000 0.910 237 T HN 0.563 nan 8.240 nan 0.000 0.513 238 E N 0.229 120.300 120.200 -0.215 0.000 2.465 238 E HA 0.072 4.422 4.350 -0.000 0.000 0.195 238 E C -0.836 175.450 176.600 -0.523 0.000 1.028 238 E CA -0.374 55.800 56.400 -0.376 0.000 0.899 238 E CB -0.541 28.917 29.700 -0.404 0.000 1.032 238 E HN 0.442 nan 8.360 nan 0.000 0.468 239 F N 2.551 122.458 119.950 -0.072 0.000 2.309 239 F HA 0.324 4.851 4.527 -0.000 0.000 0.366 239 F C 1.308 177.035 175.800 -0.122 0.000 1.104 239 F CA -0.572 57.386 58.000 -0.070 0.000 1.179 239 F CB 1.170 40.167 39.000 -0.005 0.000 1.437 239 F HN -0.003 nan 8.300 nan 0.000 0.528 240 K N 0.648 120.967 120.400 -0.135 0.000 2.438 240 K HA 0.211 4.531 4.320 -0.000 0.000 0.206 240 K C 0.610 177.133 176.600 -0.128 0.000 1.081 240 K CA -0.434 55.648 56.287 -0.341 0.000 1.053 240 K CB 0.746 32.529 32.500 -1.195 0.000 0.908 240 K HN 0.292 nan 8.250 nan 0.000 0.556 241 R N 2.108 122.588 120.500 -0.033 0.000 2.248 241 R HA 0.187 4.527 4.340 -0.000 0.000 0.337 241 R C -1.162 175.171 176.300 0.056 0.000 1.106 241 R CA -0.102 56.007 56.100 0.014 0.000 0.959 241 R CB 0.669 30.986 30.300 0.029 0.000 1.075 241 R HN -0.013 nan 8.270 nan 0.000 0.480 242 V N 6.871 126.818 119.914 0.056 0.000 2.380 242 V HA 0.245 4.365 4.120 -0.000 0.000 0.268 242 V C -1.890 174.242 176.094 0.064 0.000 1.008 242 V CA -1.626 60.714 62.300 0.066 0.000 0.823 242 V CB 1.012 32.858 31.823 0.038 0.000 1.053 242 V HN 0.752 nan 8.190 nan 0.000 0.446 243 P HA 0.189 nan 4.420 nan 0.000 0.266 243 P C 1.087 178.433 177.300 0.076 0.000 1.195 243 P CA -0.087 63.057 63.100 0.073 0.000 0.768 243 P CB 1.669 33.418 31.700 0.082 0.000 0.838 244 L N 1.485 122.748 121.223 0.066 0.000 2.083 244 L HA -0.137 4.202 4.340 -0.000 0.000 0.209 244 L C 1.562 178.488 176.870 0.093 0.000 1.083 244 L CA 1.579 56.458 54.840 0.065 0.000 0.752 244 L CB -0.622 41.468 42.059 0.051 0.000 0.899 244 L HN 0.491 nan 8.230 nan 0.000 0.433 245 D N -1.175 119.288 120.400 0.105 0.000 2.494 245 D HA -0.075 4.565 4.640 -0.000 0.000 0.249 245 D C 1.255 177.682 176.300 0.213 0.000 1.223 245 D CA 0.677 54.769 54.000 0.153 0.000 0.865 245 D CB 0.064 40.934 40.800 0.118 0.000 0.974 245 D HN 0.288 nan 8.370 nan 0.000 0.491 246 S N -1.156 114.621 115.700 0.129 0.000 2.578 246 S HA 0.116 4.586 4.470 -0.000 0.000 0.228 246 S C 1.790 176.302 174.600 -0.147 0.000 1.022 246 S CA -0.461 57.720 58.200 -0.032 0.000 0.967 246 S CB -0.378 62.841 63.200 0.033 0.000 0.914 246 S HN 0.206 nan 8.310 nan 0.000 0.515 247 L N 1.600 122.873 121.223 0.084 0.000 2.083 247 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 247 L C 2.914 179.807 176.870 0.039 0.000 1.083 247 L CA 1.632 56.570 54.840 0.163 0.000 0.752 247 L CB -0.793 41.339 42.059 0.121 0.000 0.899 247 L HN 0.641 nan 8.230 nan 0.000 0.433 248 W N 0.063 121.348 121.300 -0.025 0.000 2.325 248 W HA -0.260 4.400 4.660 -0.000 0.000 0.299 248 W C 1.962 178.393 176.519 -0.147 0.000 1.215 248 W CA 0.933 58.234 57.345 -0.073 0.000 1.244 248 W CB -1.118 28.280 29.460 -0.104 0.000 1.140 248 W HN 0.191 nan 8.180 nan 0.000 0.523 249 M N 0.322 119.047 119.600 -1.459 0.000 2.080 249 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 249 M C 2.137 177.835 176.300 -1.004 0.000 1.068 249 M CA 2.130 56.410 55.300 -1.699 0.000 1.109 249 M CB -0.822 30.483 32.600 -2.158 0.000 1.342 249 M HN -0.130 nan 8.290 nan 0.000 0.405 250 F N -0.114 119.523 119.950 -0.523 0.000 2.451 250 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 250 F C 2.023 177.734 175.800 -0.150 0.000 1.101 250 F CA 0.697 58.520 58.000 -0.296 0.000 1.436 250 F CB -0.762 38.105 39.000 -0.222 0.000 1.074 250 F HN 0.112 nan 8.300 nan 0.000 0.553 251 I N -0.128 120.453 120.570 0.019 0.000 2.202 251 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 251 I C 2.299 178.448 176.117 0.052 0.000 1.091 251 I CA 1.411 62.747 61.300 0.059 0.000 1.368 251 I CB -0.422 37.632 38.000 0.090 0.000 1.058 251 I HN 0.092 nan 8.210 nan 0.000 0.410 252 I N 0.222 120.801 120.570 0.016 0.000 2.252 252 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 252 I C 2.541 178.690 176.117 0.053 0.000 1.102 252 I CA 1.073 62.412 61.300 0.067 0.000 1.385 252 I CB -0.296 37.794 38.000 0.150 0.000 1.064 252 I HN 0.231 nan 8.210 nan 0.000 0.414 253 L N 1.324 122.533 121.223 -0.023 0.000 2.079 253 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 253 L C 2.277 179.280 176.870 0.222 0.000 1.081 253 L CA 2.117 56.999 54.840 0.070 0.000 0.752 253 L CB -1.106 40.973 42.059 0.034 0.000 0.896 253 L HN 0.185 nan 8.230 nan 0.000 0.433 254 G N -0.327 108.577 108.800 0.174 0.000 2.404 254 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 254 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 254 G C 1.527 176.517 174.900 0.151 0.000 1.174 254 G CA 0.779 45.989 45.100 0.184 0.000 0.780 254 G HN 0.347 nan 8.290 nan 0.000 0.537 255 I N 1.010 121.640 120.570 0.100 0.000 2.248 255 I HA -0.145 4.024 4.170 -0.000 0.000 0.248 255 I C 2.618 178.769 176.117 0.057 0.000 1.107 255 I CA 0.905 62.249 61.300 0.073 0.000 1.373 255 I CB -0.957 37.080 38.000 0.062 0.000 1.055 255 I HN 0.149 nan 8.210 nan 0.000 0.418 256 L N 0.416 121.658 121.223 0.032 0.000 2.005 256 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 256 L C 2.533 179.346 176.870 -0.094 0.000 1.072 256 L CA 2.093 56.888 54.840 -0.076 0.000 0.744 256 L CB -0.868 41.080 42.059 -0.186 0.000 0.895 256 L HN 0.060 nan 8.230 nan 0.000 0.433 257 F N 0.610 120.581 119.950 0.036 0.000 2.408 257 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 257 F C 2.423 178.255 175.800 0.055 0.000 1.090 257 F CA 0.905 58.929 58.000 0.040 0.000 1.427 257 F CB -0.961 38.053 39.000 0.023 0.000 1.070 257 F HN 0.163 nan 8.300 nan 0.000 0.549 258 G N 0.253 109.173 108.800 0.200 0.000 2.464 258 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.214 258 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.214 258 G C 1.877 176.870 174.900 0.157 0.000 1.218 258 G CA 1.369 46.559 45.100 0.150 0.000 0.794 258 G HN 0.338 nan 8.290 nan 0.000 0.542 259 V N -1.185 118.796 119.914 0.111 0.000 2.515 259 V HA -0.057 4.063 4.120 -0.000 0.000 0.250 259 V C 2.562 178.782 176.094 0.209 0.000 1.058 259 V CA 2.133 64.513 62.300 0.133 0.000 1.064 259 V CB -0.397 31.459 31.823 0.055 0.000 0.675 259 V HN 0.334 nan 8.190 nan 0.000 0.461 260 M N 1.051 120.745 119.600 0.157 0.000 2.086 260 M HA -0.049 4.431 4.480 -0.000 0.000 0.261 260 M C 2.301 178.786 176.300 0.309 0.000 1.067 260 M CA 2.294 57.711 55.300 0.195 0.000 1.116 260 M CB -0.945 31.731 32.600 0.127 0.000 1.348 260 M HN 0.591 nan 8.290 nan 0.000 0.407 261 G N -1.404 107.558 108.800 0.269 0.000 2.432 261 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 261 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 261 G C 1.311 176.361 174.900 0.250 0.000 1.135 261 G CA 0.628 45.866 45.100 0.229 0.000 0.767 261 G HN 0.509 nan 8.290 nan 0.000 0.550 262 Y N 2.096 122.478 120.300 0.137 0.000 2.114 262 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 262 Y C 3.183 179.150 175.900 0.112 0.000 1.143 262 Y CA 2.687 60.852 58.100 0.109 0.000 1.135 262 Y CB -0.387 38.127 38.460 0.090 0.000 0.980 262 Y HN 0.253 nan 8.280 nan 0.000 0.499 263 T N -1.781 112.885 114.554 0.188 0.000 2.951 263 T HA -0.214 4.135 4.350 -0.000 0.000 0.268 263 T C 1.765 176.538 174.700 0.122 0.000 1.073 263 T CA 1.136 63.296 62.100 0.099 0.000 1.134 263 T CB -1.065 67.932 68.868 0.214 0.000 0.884 263 T HN 0.435 nan 8.240 nan 0.000 0.479 264 F N 2.879 122.893 119.950 0.107 0.000 2.102 264 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 264 F C 2.096 177.700 175.800 -0.327 0.000 1.105 264 F CA 1.403 59.380 58.000 -0.039 0.000 1.239 264 F CB -0.465 38.515 39.000 -0.033 0.000 0.991 264 F HN 0.097 nan 8.300 nan 0.000 0.474 265 N N 0.611 119.151 118.700 -0.265 0.000 2.039 265 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 265 N C 2.006 176.898 175.510 -1.031 0.000 1.044 265 N CA 1.228 53.852 53.050 -0.709 0.000 0.847 265 N CB -0.523 37.741 38.487 -0.372 0.000 1.030 265 N HN 0.157 nan 8.380 nan 0.000 0.422 266 R N 0.503 120.670 120.500 -0.555 0.000 2.112 266 R HA -0.089 4.251 4.340 -0.000 0.000 0.242 266 R C 2.240 178.369 176.300 -0.286 0.000 1.137 266 R CA 1.498 57.402 56.100 -0.326 0.000 0.944 266 R CB -1.452 28.659 30.300 -0.314 0.000 0.857 266 R HN 0.372 nan 8.270 nan 0.000 0.435 267 G N 1.376 110.001 108.800 -0.293 0.000 2.476 267 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 267 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 267 G C 1.605 176.309 174.900 -0.325 0.000 1.164 267 G CA 0.560 45.519 45.100 -0.236 0.000 0.768 267 G HN 0.255 nan 8.290 nan 0.000 0.560 268 L N -0.607 120.252 121.223 -0.607 0.000 2.012 268 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 268 L C 2.789 179.546 176.870 -0.189 0.000 1.073 268 L CA 1.630 56.139 54.840 -0.552 0.000 0.748 268 L CB -0.333 41.212 42.059 -0.858 0.000 0.891 268 L HN 0.205 nan 8.230 nan 0.000 0.431 269 F N 0.413 120.306 119.950 -0.096 0.000 2.134 269 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 269 F C 2.547 178.364 175.800 0.029 0.000 1.097 269 F CA 1.071 59.061 58.000 -0.017 0.000 1.264 269 F CB -0.933 38.049 39.000 -0.029 0.000 1.001 269 F HN 0.025 nan 8.300 nan 0.000 0.479 270 K N 0.006 120.507 120.400 0.169 0.000 2.097 270 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 270 K C 2.023 178.726 176.600 0.172 0.000 1.049 270 K CA 1.323 57.692 56.287 0.137 0.000 0.933 270 K CB -0.457 32.082 32.500 0.066 0.000 0.717 270 K HN 0.123 nan 8.250 nan 0.000 0.442 271 V N 1.603 121.599 119.914 0.137 0.000 2.871 271 V HA -0.143 3.977 4.120 -0.000 0.000 0.256 271 V C 2.038 178.397 176.094 0.443 0.000 1.082 271 V CA 1.167 63.612 62.300 0.241 0.000 1.105 271 V CB -0.323 31.579 31.823 0.130 0.000 0.713 271 V HN 0.269 nan 8.190 nan 0.000 0.473 272 L N -0.387 121.025 121.223 0.315 0.000 2.109 272 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 272 L C 2.348 179.402 176.870 0.306 0.000 1.086 272 L CA 1.319 56.349 54.840 0.316 0.000 0.760 272 L CB -0.501 41.728 42.059 0.284 0.000 0.910 272 L HN 0.338 nan 8.230 nan 0.000 0.437 273 D N -0.451 120.108 120.400 0.266 0.000 2.084 273 D HA -0.257 4.382 4.640 -0.000 0.000 0.196 273 D C 1.760 178.191 176.300 0.218 0.000 0.985 273 D CA 1.115 55.236 54.000 0.202 0.000 0.826 273 D CB -0.482 40.418 40.800 0.166 0.000 0.978 273 D HN 0.452 nan 8.370 nan 0.000 0.456 274 W N 1.245 122.591 121.300 0.075 0.000 2.308 274 W HA -0.259 4.401 4.660 -0.000 0.000 0.301 274 W C 1.563 178.044 176.519 -0.064 0.000 1.220 274 W CA 0.951 58.288 57.345 -0.014 0.000 1.240 274 W CB -0.907 28.517 29.460 -0.060 0.000 1.142 274 W HN -0.051 nan 8.180 nan 0.000 0.521 275 F N 1.511 121.513 119.950 0.087 0.000 2.367 275 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 275 F C 2.281 178.020 175.800 -0.101 0.000 1.094 275 F CA 1.725 59.691 58.000 -0.057 0.000 1.409 275 F CB -0.581 38.502 39.000 0.138 0.000 1.064 275 F HN -0.248 nan 8.300 nan 0.000 0.528 276 D N -0.102 120.376 120.400 0.130 0.000 2.219 276 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 276 D C 1.468 177.745 176.300 -0.039 0.000 0.970 276 D CA 0.821 54.853 54.000 0.053 0.000 0.851 276 D CB -0.220 40.622 40.800 0.069 0.000 0.943 276 D HN 0.046 nan 8.370 nan 0.000 0.488 277 R N 0.594 121.025 120.500 -0.114 0.000 3.385 277 R HA 0.195 4.535 4.340 -0.000 0.000 0.236 277 R C 0.657 176.812 176.300 -0.242 0.000 1.663 277 R CA -0.155 55.844 56.100 -0.168 0.000 1.444 277 R CB -1.238 28.951 30.300 -0.185 0.000 1.218 277 R HN 0.116 nan 8.270 nan 0.000 0.575 278 L N -1.716 119.392 121.223 -0.192 0.000 6.402 278 L HA -0.355 3.984 4.340 -0.000 0.000 0.053 278 L C -1.592 175.120 176.870 -0.264 0.000 1.852 278 L CA 1.100 55.833 54.840 -0.178 0.000 1.743 278 L CB -1.631 40.356 42.059 -0.120 0.000 2.654 278 L HN 0.202 nan 8.230 nan 0.000 1.008 279 P HA 0.103 nan 4.420 nan 0.000 0.272 279 P C -2.083 175.154 177.300 -0.104 0.000 1.230 279 P CA -0.988 62.035 63.100 -0.127 0.000 0.788 279 P CB 0.197 31.833 31.700 -0.106 0.000 0.949 280 P HA -0.194 nan 4.420 nan 0.000 0.217 280 P C 1.357 178.599 177.300 -0.097 0.000 1.151 280 P CA 1.047 64.098 63.100 -0.082 0.000 0.849 280 P CB -0.097 31.561 31.700 -0.070 0.000 0.787 281 L N -0.677 120.491 121.223 -0.093 0.000 2.068 281 L HA 0.054 4.394 4.340 -0.000 0.000 0.204 281 L C 2.264 179.081 176.870 -0.089 0.000 1.076 281 L CA 1.832 56.605 54.840 -0.110 0.000 0.753 281 L CB -1.548 40.472 42.059 -0.065 0.000 0.910 281 L HN -0.133 nan 8.230 nan 0.000 0.439 282 A N -1.337 121.455 122.820 -0.047 0.000 1.940 282 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 282 A C 2.248 179.830 177.584 -0.003 0.000 1.176 282 A CA 2.426 54.461 52.037 -0.003 0.000 0.631 282 A CB -1.267 17.685 19.000 -0.080 0.000 0.814 282 A HN 0.522 nan 8.150 nan 0.000 0.446 283 T N 0.198 114.714 114.554 -0.064 0.000 2.746 283 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 283 T C 1.907 176.559 174.700 -0.081 0.000 1.039 283 T CA 1.475 63.529 62.100 -0.076 0.000 1.142 283 T CB -0.156 68.662 68.868 -0.085 0.000 0.866 283 T HN 0.407 nan 8.240 nan 0.000 0.444 284 K N 0.424 120.743 120.400 -0.134 0.000 2.063 284 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 284 K C 1.891 178.401 176.600 -0.151 0.000 1.048 284 K CA 1.271 57.416 56.287 -0.236 0.000 0.928 284 K CB -0.485 31.733 32.500 -0.469 0.000 0.713 284 K HN 0.599 nan 8.250 nan 0.000 0.442 285 W N 1.286 122.599 121.300 0.022 0.000 2.812 285 W HA 0.086 4.746 4.660 -0.000 0.000 0.263 285 W C 2.197 178.773 176.519 0.096 0.000 1.284 285 W CA -0.427 56.960 57.345 0.071 0.000 1.430 285 W CB 0.190 29.686 29.460 0.059 0.000 1.088 285 W HN 0.077 nan 8.180 nan 0.000 0.623 286 K N 0.946 121.490 120.400 0.241 0.000 2.127 286 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 286 K C 2.110 178.763 176.600 0.088 0.000 1.047 286 K CA 1.897 58.264 56.287 0.134 0.000 0.927 286 K CB -0.645 31.857 32.500 0.003 0.000 0.716 286 K HN 0.222 nan 8.250 nan 0.000 0.450 287 G N 0.328 109.157 108.800 0.049 0.000 2.421 287 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.216 287 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.216 287 G C 1.322 176.432 174.900 0.350 0.000 1.171 287 G CA 0.720 45.953 45.100 0.222 0.000 0.775 287 G HN 0.408 nan 8.290 nan 0.000 0.543 288 F N 0.804 120.909 119.950 0.258 0.000 2.118 288 F HA 0.205 4.732 4.527 -0.000 0.000 0.293 288 F C 2.510 178.384 175.800 0.123 0.000 1.102 288 F CA 0.796 58.919 58.000 0.206 0.000 1.247 288 F CB -0.199 38.952 39.000 0.251 0.000 1.017 288 F HN 0.005 nan 8.300 nan 0.000 0.475 289 L N 0.045 121.454 121.223 0.309 0.000 1.990 289 L HA -0.278 4.061 4.340 -0.000 0.000 0.213 289 L C 2.578 179.477 176.870 0.048 0.000 1.072 289 L CA 1.239 56.167 54.840 0.148 0.000 0.755 289 L CB -0.880 41.291 42.059 0.188 0.000 0.889 289 L HN 0.289 nan 8.230 nan 0.000 0.432 290 L N 0.032 121.326 121.223 0.117 0.000 2.042 290 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 290 L C 2.320 179.206 176.870 0.028 0.000 1.076 290 L CA 2.299 57.206 54.840 0.113 0.000 0.749 290 L CB -1.317 40.861 42.059 0.199 0.000 0.893 290 L HN 0.337 nan 8.230 nan 0.000 0.432 291 G N -1.145 107.651 108.800 -0.005 0.000 2.484 291 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 291 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 291 G C 1.663 176.443 174.900 -0.199 0.000 1.130 291 G CA 0.858 45.909 45.100 -0.081 0.000 0.784 291 G HN 0.607 nan 8.290 nan 0.000 0.543 292 S N 0.285 115.805 115.700 -0.300 0.000 2.414 292 S HA 0.107 4.577 4.470 -0.000 0.000 0.227 292 S C 2.251 176.725 174.600 -0.211 0.000 1.022 292 S CA 0.328 58.324 58.200 -0.340 0.000 0.958 292 S CB -0.220 62.688 63.200 -0.487 0.000 0.797 292 S HN 0.298 nan 8.310 nan 0.000 0.493 293 I N 1.539 122.022 120.570 -0.144 0.000 2.202 293 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 293 I C 2.260 178.285 176.117 -0.153 0.000 1.091 293 I CA 1.000 62.228 61.300 -0.120 0.000 1.368 293 I CB -0.372 37.597 38.000 -0.052 0.000 1.058 293 I HN 0.246 nan 8.210 nan 0.000 0.410 294 I N 1.170 121.665 120.570 -0.126 0.000 2.194 294 I HA -0.245 3.924 4.170 -0.000 0.000 0.246 294 I C 2.687 178.691 176.117 -0.188 0.000 1.093 294 I CA 1.904 63.124 61.300 -0.134 0.000 1.355 294 I CB -1.929 36.012 38.000 -0.099 0.000 1.046 294 I HN 0.255 nan 8.210 nan 0.000 0.413 295 G N 0.658 109.336 108.800 -0.202 0.000 2.422 295 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 295 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 295 G C 1.719 176.422 174.900 -0.329 0.000 1.146 295 G CA 0.485 45.447 45.100 -0.230 0.000 0.769 295 G HN 0.267 nan 8.290 nan 0.000 0.547 296 I N 0.683 121.023 120.570 -0.383 0.000 2.202 296 I HA -0.060 4.110 4.170 -0.000 0.000 0.242 296 I C 2.622 178.299 176.117 -0.733 0.000 1.091 296 I CA 0.819 61.750 61.300 -0.614 0.000 1.368 296 I CB -0.260 37.408 38.000 -0.552 0.000 1.058 296 I HN 0.081 nan 8.210 nan 0.000 0.410 297 L N -0.510 120.412 121.223 -0.501 0.000 2.456 297 L HA -0.136 4.204 4.340 -0.000 0.000 0.224 297 L C 2.280 178.937 176.870 -0.356 0.000 1.148 297 L CA 0.574 55.154 54.840 -0.433 0.000 0.825 297 L CB -0.568 41.375 42.059 -0.194 0.000 0.937 297 L HN 0.160 nan 8.230 nan 0.000 0.450 298 S N 0.012 115.512 115.700 -0.334 0.000 2.447 298 S HA -0.044 4.426 4.470 -0.000 0.000 0.233 298 S C 1.918 176.368 174.600 -0.251 0.000 1.006 298 S CA 0.896 58.951 58.200 -0.242 0.000 0.957 298 S CB -0.084 62.992 63.200 -0.207 0.000 0.773 298 S HN 0.356 nan 8.310 nan 0.000 0.507 299 L N -0.048 120.935 121.223 -0.400 0.000 2.044 299 L HA 0.078 4.418 4.340 -0.000 0.000 0.205 299 L C 0.308 177.091 176.870 -0.146 0.000 1.075 299 L CA 0.307 54.945 54.840 -0.337 0.000 0.747 299 L CB -0.565 41.175 42.059 -0.532 0.000 0.903 299 L HN 0.212 nan 8.230 nan 0.000 0.435 300 F N 1.826 121.690 119.950 -0.144 0.000 2.629 300 F HA 0.039 4.566 4.527 -0.000 0.000 0.369 300 F C -1.528 174.221 175.800 -0.086 0.000 1.125 300 F CA -2.799 55.145 58.000 -0.093 0.000 1.330 300 F CB -0.831 38.110 39.000 -0.098 0.000 1.071 300 F HN -0.053 nan 8.300 nan 0.000 0.595 301 P HA 0.280 nan 4.420 nan 0.000 0.225 301 P C -0.830 176.475 177.300 0.009 0.000 1.813 301 P CA 0.182 63.318 63.100 0.061 0.000 1.013 301 P CB 0.226 31.966 31.700 0.067 0.000 1.961 302 L N 3.255 124.441 121.223 -0.061 0.000 2.592 302 L HA 0.394 4.734 4.340 -0.000 0.000 0.258 302 L C -2.481 174.198 176.870 -0.319 0.000 0.926 302 L CA -1.991 52.701 54.840 -0.246 0.000 0.885 302 L CB 2.683 44.621 42.059 -0.203 0.000 1.380 302 L HN -0.082 nan 8.230 nan 0.000 0.415 303 P HA 0.175 nan 4.420 nan 0.000 0.226 303 P C -0.027 177.092 177.300 -0.301 0.000 1.783 303 P CA -0.107 62.762 63.100 -0.385 0.000 0.980 303 P CB -0.305 31.127 31.700 -0.447 0.000 1.967 304 L N -0.279 120.817 121.223 -0.212 0.000 2.818 304 L HA 0.386 4.726 4.340 -0.000 0.000 0.243 304 L C 0.788 177.599 176.870 -0.099 0.000 1.185 304 L CA -0.183 54.572 54.840 -0.142 0.000 0.988 304 L CB -1.019 40.973 42.059 -0.111 0.000 1.292 304 L HN 0.043 nan 8.230 nan 0.000 0.519 305 T N -4.854 109.638 114.554 -0.103 0.000 2.669 305 T HA 0.797 5.147 4.350 -0.000 0.000 0.283 305 T C -0.851 173.799 174.700 -0.084 0.000 1.019 305 T CA -0.259 61.787 62.100 -0.091 0.000 1.039 305 T CB 1.994 70.798 68.868 -0.107 0.000 1.374 305 T HN 0.065 nan 8.240 nan 0.000 0.523 306 D N -1.317 119.026 120.400 -0.094 0.000 6.122 306 D HA -0.050 4.589 4.640 -0.000 0.000 0.318 306 D C 1.275 177.511 176.300 -0.106 0.000 2.527 306 D CA 1.302 55.236 54.000 -0.109 0.000 1.441 306 D CB -1.308 39.443 40.800 -0.082 0.000 1.140 306 D HN 0.964 nan 8.370 nan 0.000 1.272 307 G N -0.471 108.236 108.800 -0.156 0.000 2.459 307 G HA2 0.197 4.157 3.960 -0.000 0.000 0.217 307 G HA3 0.197 4.157 3.960 -0.000 0.000 0.217 307 G C 1.148 176.044 174.900 -0.007 0.000 1.183 307 G CA 2.144 47.154 45.100 -0.150 0.000 0.776 307 G HN 1.566 nan 8.290 nan 0.000 0.552 308 G N -0.643 108.181 108.800 0.041 0.000 2.977 308 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.211 308 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.211 308 G C 0.767 175.759 174.900 0.154 0.000 0.994 308 G CA 0.775 45.933 45.100 0.097 0.000 0.795 308 G HN 0.386 nan 8.290 nan 0.000 0.518 309 D N 1.928 122.433 120.400 0.174 0.000 2.104 309 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 309 D C 2.466 178.876 176.300 0.182 0.000 0.994 309 D CA 1.648 55.771 54.000 0.205 0.000 0.830 309 D CB -0.060 40.873 40.800 0.221 0.000 0.959 309 D HN 0.521 nan 8.370 nan 0.000 0.452 310 N N 1.603 120.390 118.700 0.145 0.000 2.104 310 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 310 N C 1.783 177.413 175.510 0.200 0.000 1.024 310 N CA 1.662 54.799 53.050 0.146 0.000 0.853 310 N CB -0.785 37.749 38.487 0.078 0.000 1.008 310 N HN 0.237 nan 8.380 nan 0.000 0.424 311 A N 1.125 124.042 122.820 0.162 0.000 1.908 311 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 311 A C 2.613 180.409 177.584 0.353 0.000 1.181 311 A CA 1.871 54.035 52.037 0.212 0.000 0.627 311 A CB -0.923 18.158 19.000 0.135 0.000 0.818 311 A HN 0.179 nan 8.150 nan 0.000 0.445 312 V N 0.096 120.196 119.914 0.309 0.000 2.307 312 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 312 V C 2.248 178.610 176.094 0.447 0.000 1.045 312 V CA 1.740 64.273 62.300 0.388 0.000 1.024 312 V CB -0.693 31.304 31.823 0.290 0.000 0.651 312 V HN 0.572 nan 8.190 nan 0.000 0.449 313 L N -1.471 119.945 121.223 0.322 0.000 2.675 313 L HA -0.106 4.234 4.340 -0.000 0.000 0.238 313 L C 1.785 178.856 176.870 0.337 0.000 1.155 313 L CA 0.892 55.901 54.840 0.283 0.000 0.881 313 L CB -0.413 41.767 42.059 0.201 0.000 1.008 313 L HN 0.570 nan 8.230 nan 0.000 0.443 314 W N -0.402 120.998 121.300 0.166 0.000 2.952 314 W HA 0.204 4.864 4.660 -0.000 0.000 0.251 314 W C 2.297 178.863 176.519 0.080 0.000 1.144 314 W CA 0.721 58.131 57.345 0.108 0.000 1.551 314 W CB -0.007 29.498 29.460 0.076 0.000 0.978 314 W HN 0.007 nan 8.180 nan 0.000 0.648 315 A N 1.548 124.465 122.820 0.163 0.000 1.849 315 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 315 A C 0.735 178.108 177.584 -0.351 0.000 1.225 315 A CA 1.574 53.479 52.037 -0.221 0.000 0.653 315 A CB -1.798 17.070 19.000 -0.221 0.000 0.844 315 A HN 0.333 nan 8.150 nan 0.000 0.453 316 F N -0.123 119.796 119.950 -0.052 0.000 2.412 316 F HA 0.435 4.961 4.527 -0.000 0.000 0.348 316 F C 0.845 176.631 175.800 -0.022 0.000 1.102 316 F CA -0.304 57.665 58.000 -0.051 0.000 1.196 316 F CB 0.505 39.501 39.000 -0.007 0.000 1.144 316 F HN 0.269 nan 8.300 nan 0.000 0.541 317 N N -0.667 118.118 118.700 0.141 0.000 2.297 317 N HA -0.020 4.720 4.740 -0.000 0.000 0.208 317 N C 0.020 175.496 175.510 -0.056 0.000 1.176 317 N CA -0.009 53.089 53.050 0.079 0.000 0.882 317 N CB 0.029 38.585 38.487 0.115 0.000 1.134 317 N HN 0.490 nan 8.380 nan 0.000 0.489 318 S N 1.361 116.998 115.700 -0.104 0.000 2.946 318 S HA -0.097 4.372 4.470 -0.000 0.000 0.349 318 S C 0.123 174.552 174.600 -0.284 0.000 1.189 318 S CA -0.346 57.756 58.200 -0.163 0.000 1.285 318 S CB -0.443 62.666 63.200 -0.151 0.000 1.010 318 S HN 0.203 nan 8.310 nan 0.000 0.538 319 Q N 2.979 122.683 119.800 -0.159 0.000 2.247 319 Q HA 0.245 4.585 4.340 -0.000 0.000 0.288 319 Q C 0.284 176.200 176.000 -0.140 0.000 1.079 319 Q CA 0.260 55.976 55.803 -0.145 0.000 0.932 319 Q CB 0.328 29.034 28.738 -0.053 0.000 1.133 319 Q HN 0.954 nan 8.270 nan 0.000 0.377 320 S N 1.068 116.660 115.700 -0.179 0.000 2.595 320 S HA 0.388 4.857 4.470 -0.000 0.000 0.281 320 S C -0.866 173.789 174.600 0.093 0.000 1.117 320 S CA -1.184 56.965 58.200 -0.084 0.000 0.873 320 S CB 0.977 64.050 63.200 -0.212 0.000 1.108 320 S HN 0.542 nan 8.310 nan 0.000 0.477 321 H N 1.006 120.087 119.070 0.018 0.000 3.064 321 H HA 0.140 4.696 4.556 -0.000 0.000 0.329 321 H C 0.798 176.176 175.328 0.084 0.000 1.020 321 H CA -0.467 55.619 56.048 0.063 0.000 1.402 321 H CB -0.119 29.689 29.762 0.075 0.000 1.379 321 H HN 0.712 nan 8.280 nan 0.000 0.594 322 F N 2.339 122.332 119.950 0.071 0.000 2.154 322 F HA -0.322 4.205 4.527 -0.000 0.000 0.301 322 F C 2.407 178.236 175.800 0.049 0.000 1.087 322 F CA 1.903 59.913 58.000 0.017 0.000 1.274 322 F CB -0.150 38.829 39.000 -0.036 0.000 1.009 322 F HN 0.619 nan 8.300 nan 0.000 0.485 323 S N -1.244 114.615 115.700 0.266 0.000 2.359 323 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 323 S C 1.939 176.607 174.600 0.114 0.000 1.035 323 S CA 1.781 60.086 58.200 0.176 0.000 1.018 323 S CB -1.352 61.954 63.200 0.176 0.000 0.876 323 S HN 0.433 nan 8.310 nan 0.000 0.448 324 T N 3.035 117.686 114.554 0.163 0.000 2.833 324 T HA 0.109 4.459 4.350 -0.000 0.000 0.269 324 T C 1.699 176.548 174.700 0.248 0.000 1.054 324 T CA 1.287 63.500 62.100 0.188 0.000 1.135 324 T CB -0.525 68.487 68.868 0.240 0.000 0.869 324 T HN 0.309 nan 8.240 nan 0.000 0.466 325 L N 0.496 121.806 121.223 0.145 0.000 1.994 325 L HA -0.080 4.259 4.340 -0.000 0.000 0.208 325 L C 2.486 179.385 176.870 0.049 0.000 1.071 325 L CA 1.005 55.907 54.840 0.102 0.000 0.745 325 L CB -0.625 41.287 42.059 -0.245 0.000 0.892 325 L HN 0.218 nan 8.230 nan 0.000 0.431 326 I N -0.244 120.272 120.570 -0.090 0.000 2.264 326 I HA -0.305 3.864 4.170 -0.000 0.000 0.248 326 I C 2.545 178.744 176.117 0.137 0.000 1.111 326 I CA 1.365 62.666 61.300 0.002 0.000 1.382 326 I CB -1.129 36.854 38.000 -0.028 0.000 1.060 326 I HN 0.295 nan 8.210 nan 0.000 0.418 327 L N 0.862 122.142 121.223 0.096 0.000 1.976 327 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 327 L C 2.590 179.495 176.870 0.059 0.000 1.071 327 L CA 1.918 56.801 54.840 0.072 0.000 0.746 327 L CB -0.660 41.430 42.059 0.051 0.000 0.890 327 L HN 0.050 nan 8.230 nan 0.000 0.432 328 V N -0.041 119.905 119.914 0.055 0.000 2.515 328 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 328 V C 2.354 178.481 176.094 0.055 0.000 1.058 328 V CA 1.769 64.048 62.300 -0.034 0.000 1.064 328 V CB -0.916 30.758 31.823 -0.248 0.000 0.675 328 V HN 0.495 nan 8.190 nan 0.000 0.461 329 F N 0.701 120.660 119.950 0.015 0.000 2.075 329 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 329 F C 2.452 178.298 175.800 0.076 0.000 1.113 329 F CA 2.156 60.183 58.000 0.045 0.000 1.218 329 F CB -0.631 38.370 39.000 0.002 0.000 0.984 329 F HN 0.138 nan 8.300 nan 0.000 0.472 330 C N 1.299 120.485 119.300 -0.191 0.000 2.429 330 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 330 C C 3.108 178.015 174.990 -0.138 0.000 1.262 330 C CA 1.062 59.913 59.018 -0.277 0.000 1.733 330 C CB -1.978 25.737 27.740 -0.041 0.000 2.010 330 C HN 0.771 nan 8.230 nan 0.000 0.483 331 G N 0.492 109.252 108.800 -0.067 0.000 2.545 331 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 331 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 331 G C 1.769 176.641 174.900 -0.047 0.000 1.218 331 G CA 0.767 45.841 45.100 -0.043 0.000 0.787 331 G HN 0.579 nan 8.290 nan 0.000 0.571 332 R N -0.832 119.633 120.500 -0.057 0.000 2.081 332 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 332 R C 2.393 178.675 176.300 -0.029 0.000 1.131 332 R CA 1.225 57.301 56.100 -0.040 0.000 0.960 332 R CB -0.620 29.668 30.300 -0.020 0.000 0.856 332 R HN 0.425 nan 8.270 nan 0.000 0.436 333 F N 1.645 121.447 119.950 -0.246 0.000 2.126 333 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 333 F C 1.948 177.687 175.800 -0.101 0.000 1.096 333 F CA 1.516 59.388 58.000 -0.214 0.000 1.255 333 F CB -0.075 38.589 39.000 -0.560 0.000 0.997 333 F HN -0.084 nan 8.300 nan 0.000 0.479 334 L N -0.524 120.742 121.223 0.070 0.000 2.023 334 L HA -0.197 4.143 4.340 -0.000 0.000 0.205 334 L C 2.471 179.311 176.870 -0.050 0.000 1.073 334 L CA 1.057 55.903 54.840 0.010 0.000 0.745 334 L CB -0.853 41.221 42.059 0.025 0.000 0.900 334 L HN 0.169 nan 8.230 nan 0.000 0.435 335 L N -0.128 121.076 121.223 -0.033 0.000 2.079 335 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 335 L C 2.861 179.714 176.870 -0.029 0.000 1.081 335 L CA 2.000 56.825 54.840 -0.025 0.000 0.752 335 L CB -0.895 41.148 42.059 -0.027 0.000 0.896 335 L HN 0.511 nan 8.230 nan 0.000 0.433 336 T N -2.385 112.143 114.554 -0.043 0.000 2.821 336 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 336 T C 1.844 176.516 174.700 -0.047 0.000 1.046 336 T CA 0.920 63.010 62.100 -0.018 0.000 1.139 336 T CB -0.505 68.372 68.868 0.015 0.000 0.871 336 T HN 0.230 nan 8.240 nan 0.000 0.454 337 L N -0.268 120.859 121.223 -0.160 0.000 2.017 337 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 337 L C 2.711 179.545 176.870 -0.061 0.000 1.073 337 L CA 1.046 55.755 54.840 -0.219 0.000 0.745 337 L CB -0.617 41.247 42.059 -0.326 0.000 0.894 337 L HN 0.208 nan 8.230 nan 0.000 0.432 338 I N -0.558 120.006 120.570 -0.011 0.000 2.179 338 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 338 I C 2.672 178.782 176.117 -0.012 0.000 1.088 338 I CA 1.315 62.661 61.300 0.077 0.000 1.357 338 I CB -0.569 37.494 38.000 0.105 0.000 1.051 338 I HN 0.303 nan 8.210 nan 0.000 0.409 339 C N -0.904 118.395 119.300 -0.002 0.000 2.436 339 C HA -0.230 4.230 4.460 -0.000 0.000 0.277 339 C C 2.774 177.743 174.990 -0.035 0.000 1.241 339 C CA 0.798 59.811 59.018 -0.009 0.000 1.721 339 C CB -1.091 26.656 27.740 0.011 0.000 2.043 339 C HN 0.538 nan 8.230 nan 0.000 0.472 340 Y N 1.643 121.885 120.300 -0.097 0.000 2.314 340 Y HA 0.045 4.595 4.550 -0.000 0.000 0.293 340 Y C 2.409 178.233 175.900 -0.126 0.000 1.129 340 Y CA 1.519 59.570 58.100 -0.082 0.000 1.201 340 Y CB -0.610 37.819 38.460 -0.051 0.000 0.999 340 Y HN 0.282 nan 8.280 nan 0.000 0.541 341 G N -0.968 107.818 108.800 -0.022 0.000 2.432 341 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 341 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 341 G C 1.756 176.302 174.900 -0.590 0.000 1.135 341 G CA 1.106 46.138 45.100 -0.115 0.000 0.767 341 G HN 0.500 nan 8.290 nan 0.000 0.550 342 S N -0.360 114.767 115.700 -0.955 0.000 2.515 342 S HA 0.306 4.776 4.470 -0.000 0.000 0.231 342 S C 1.853 176.321 174.600 -0.219 0.000 0.987 342 S CA 1.045 58.564 58.200 -1.135 0.000 0.936 342 S CB -0.276 62.545 63.200 -0.632 0.000 0.766 342 S HN 1.592 nan 8.310 nan 0.000 0.528 343 G N 0.760 109.443 108.800 -0.196 0.000 2.149 343 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.235 343 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.235 343 G C 0.223 175.077 174.900 -0.076 0.000 1.018 343 G CA 0.017 45.048 45.100 -0.116 0.000 0.728 343 G HN 1.228 nan 8.290 nan 0.000 0.508 344 A N -0.366 122.329 122.820 -0.208 0.000 2.346 344 A HA 0.674 4.994 4.320 -0.000 0.000 0.252 344 A C 0.970 178.323 177.584 -0.386 0.000 1.089 344 A CA -0.186 51.492 52.037 -0.597 0.000 0.797 344 A CB 0.295 18.978 19.000 -0.528 0.000 1.047 344 A HN 0.885 nan 8.150 nan 0.000 0.494 345 I N 2.423 122.784 120.570 -0.349 0.000 2.705 345 I HA 0.066 4.236 4.170 -0.000 0.000 0.291 345 I C 1.220 177.276 176.117 -0.101 0.000 1.146 345 I CA 0.432 61.628 61.300 -0.174 0.000 1.383 345 I CB -0.688 37.245 38.000 -0.113 0.000 1.454 345 I HN 0.788 nan 8.210 nan 0.000 0.581 346 G N 4.082 112.845 108.800 -0.061 0.000 3.157 346 G HA2 0.733 4.693 3.960 -0.000 0.000 0.206 346 G HA3 0.733 4.693 3.960 -0.000 0.000 0.206 346 G C 0.154 175.154 174.900 0.167 0.000 1.903 346 G CA 0.001 45.133 45.100 0.053 0.000 0.771 346 G HN 0.818 nan 8.290 nan 0.000 0.750 347 G N -1.237 107.764 108.800 0.334 0.000 3.239 347 G HA2 0.062 4.022 3.960 -0.000 0.000 0.666 347 G HA3 0.062 4.022 3.960 -0.000 0.000 0.666 347 G C -0.074 175.014 174.900 0.313 0.000 1.313 347 G CA -0.053 45.244 45.100 0.329 0.000 1.001 347 G HN 0.824 nan 8.290 nan 0.000 0.573 348 I N 2.128 122.877 120.570 0.298 0.000 4.057 348 I HA 0.298 4.468 4.170 -0.000 0.000 0.334 348 I C 2.034 178.220 176.117 0.114 0.000 1.308 348 I CA -0.392 60.975 61.300 0.111 0.000 1.125 348 I CB -0.025 37.879 38.000 -0.161 0.000 1.034 348 I HN 0.560 nan 8.210 nan 0.000 0.401 349 F N 1.416 121.466 119.950 0.166 0.000 2.010 349 F HA -0.267 4.260 4.527 -0.000 0.000 0.296 349 F C 2.651 178.535 175.800 0.141 0.000 1.146 349 F CA 2.355 60.452 58.000 0.163 0.000 1.181 349 F CB -0.630 38.544 39.000 0.289 0.000 0.965 349 F HN 0.102 nan 8.300 nan 0.000 0.480 350 A N 0.176 123.303 122.820 0.511 0.000 1.884 350 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 350 A C -0.228 177.467 177.584 0.185 0.000 1.197 350 A CA 2.274 54.548 52.037 0.395 0.000 0.637 350 A CB -2.204 17.036 19.000 0.400 0.000 0.827 350 A HN 0.283 nan 8.150 nan 0.000 0.450 351 P HA -0.160 nan 4.420 nan 0.000 0.217 351 P C 1.539 178.828 177.300 -0.018 0.000 1.148 351 P CA 1.465 64.592 63.100 0.046 0.000 0.828 351 P CB -0.160 31.563 31.700 0.038 0.000 0.783 352 M N -2.537 117.008 119.600 -0.092 0.000 2.447 352 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 352 M C 1.478 177.726 176.300 -0.086 0.000 1.095 352 M CA 0.916 56.090 55.300 -0.209 0.000 1.125 352 M CB -0.488 31.873 32.600 -0.398 0.000 1.389 352 M HN -0.062 nan 8.290 nan 0.000 0.459 353 L N 0.116 121.332 121.223 -0.011 0.000 2.056 353 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 353 L C 2.616 179.549 176.870 0.104 0.000 1.078 353 L CA 1.845 56.705 54.840 0.033 0.000 0.749 353 L CB -1.611 40.480 42.059 0.054 0.000 0.901 353 L HN 0.267 nan 8.230 nan 0.000 0.433 354 G N -0.774 108.099 108.800 0.122 0.000 2.418 354 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 354 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 354 G C 1.710 176.717 174.900 0.179 0.000 1.158 354 G CA 0.822 46.018 45.100 0.161 0.000 0.771 354 G HN 0.366 nan 8.290 nan 0.000 0.545 355 I N 1.246 121.907 120.570 0.153 0.000 2.202 355 I HA -0.142 4.027 4.170 -0.000 0.000 0.242 355 I C 3.295 179.601 176.117 0.315 0.000 1.091 355 I CA 0.947 62.397 61.300 0.249 0.000 1.368 355 I CB -0.245 37.879 38.000 0.207 0.000 1.058 355 I HN 0.248 nan 8.210 nan 0.000 0.410 356 A N 1.031 123.993 122.820 0.235 0.000 1.858 356 A HA -0.226 4.093 4.320 -0.000 0.000 0.216 356 A C 2.514 180.245 177.584 0.245 0.000 1.190 356 A CA 2.265 54.478 52.037 0.293 0.000 0.617 356 A CB -0.993 18.018 19.000 0.019 0.000 0.827 356 A HN 0.517 nan 8.150 nan 0.000 0.443 357 S N 0.101 115.911 115.700 0.183 0.000 2.400 357 S HA -0.136 4.333 4.470 -0.000 0.000 0.232 357 S C 1.824 176.446 174.600 0.036 0.000 1.025 357 S CA 1.517 59.815 58.200 0.162 0.000 0.993 357 S CB -0.757 62.653 63.200 0.350 0.000 0.808 357 S HN 0.486 nan 8.310 nan 0.000 0.478 358 I N 0.986 121.639 120.570 0.138 0.000 2.286 358 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 358 I C 2.389 178.510 176.117 0.006 0.000 1.104 358 I CA 0.856 62.230 61.300 0.122 0.000 1.397 358 I CB -0.333 37.836 38.000 0.282 0.000 1.072 358 I HN 0.232 nan 8.210 nan 0.000 0.417 359 V N 0.808 120.747 119.914 0.040 0.000 2.379 359 V HA -0.222 3.897 4.120 -0.000 0.000 0.245 359 V C 2.624 178.704 176.094 -0.024 0.000 1.044 359 V CA 2.093 64.323 62.300 -0.116 0.000 1.036 359 V CB -0.589 31.130 31.823 -0.174 0.000 0.664 359 V HN 0.564 nan 8.190 nan 0.000 0.453 360 S N -0.347 115.443 115.700 0.150 0.000 2.399 360 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 360 S C 1.939 176.537 174.600 -0.004 0.000 1.022 360 S CA 1.515 59.811 58.200 0.160 0.000 0.983 360 S CB -0.478 62.841 63.200 0.198 0.000 0.803 360 S HN 0.299 nan 8.310 nan 0.000 0.480 361 V N 2.497 122.327 119.914 -0.139 0.000 2.307 361 V HA -0.081 4.039 4.120 -0.000 0.000 0.245 361 V C 3.155 179.186 176.094 -0.104 0.000 1.045 361 V CA 1.620 63.788 62.300 -0.220 0.000 1.024 361 V CB -1.455 30.140 31.823 -0.380 0.000 0.651 361 V HN 0.656 nan 8.190 nan 0.000 0.449 362 A N -0.501 122.238 122.820 -0.135 0.000 1.908 362 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 362 A C 2.209 179.876 177.584 0.138 0.000 1.181 362 A CA 2.179 54.146 52.037 -0.116 0.000 0.627 362 A CB -0.465 18.282 19.000 -0.421 0.000 0.818 362 A HN 0.422 nan 8.150 nan 0.000 0.445 363 M N -0.667 118.986 119.600 0.088 0.000 2.200 363 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 363 M C 2.520 178.994 176.300 0.291 0.000 1.066 363 M CA 1.345 56.776 55.300 0.219 0.000 1.127 363 M CB -1.578 31.128 32.600 0.175 0.000 1.379 363 M HN 0.488 nan 8.290 nan 0.000 0.420 364 A N 0.711 123.624 122.820 0.155 0.000 1.865 364 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 364 A C 2.345 180.026 177.584 0.161 0.000 1.191 364 A CA 1.733 53.839 52.037 0.116 0.000 0.623 364 A CB -0.657 18.346 19.000 0.004 0.000 0.826 364 A HN 0.447 nan 8.150 nan 0.000 0.444 365 R N -1.757 118.830 120.500 0.145 0.000 2.094 365 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 365 R C 2.337 178.758 176.300 0.203 0.000 1.137 365 R CA 1.829 58.030 56.100 0.168 0.000 0.943 365 R CB -0.668 29.750 30.300 0.197 0.000 0.850 365 R HN 0.753 nan 8.270 nan 0.000 0.433 366 H N -0.049 119.073 119.070 0.086 0.000 2.353 366 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 366 H C 1.683 176.947 175.328 -0.107 0.000 1.090 366 H CA 1.676 57.683 56.048 -0.067 0.000 1.327 366 H CB -0.240 29.456 29.762 -0.110 0.000 1.383 366 H HN 0.090 nan 8.280 nan 0.000 0.508 367 F N -0.924 119.004 119.950 -0.037 0.000 2.206 367 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 367 F C 2.695 178.498 175.800 0.004 0.000 1.090 367 F CA 1.456 59.420 58.000 -0.060 0.000 1.323 367 F CB -0.481 38.472 39.000 -0.078 0.000 1.028 367 F HN 0.332 nan 8.300 nan 0.000 0.492 368 H N -0.069 119.068 119.070 0.113 0.000 2.387 368 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 368 H C 2.269 177.579 175.328 -0.029 0.000 1.090 368 H CA 1.527 57.607 56.048 0.053 0.000 1.332 368 H CB -0.369 29.414 29.762 0.035 0.000 1.386 368 H HN 0.136 nan 8.280 nan 0.000 0.516 369 L N 0.279 121.444 121.223 -0.097 0.000 2.042 369 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 369 L C 1.801 178.457 176.870 -0.357 0.000 1.076 369 L CA 1.781 56.491 54.840 -0.216 0.000 0.749 369 L CB -0.834 41.132 42.059 -0.155 0.000 0.893 369 L HN 0.466 nan 8.230 nan 0.000 0.432 370 L N -1.968 118.962 121.223 -0.488 0.000 2.298 370 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 370 L C 0.255 176.462 176.870 -1.105 0.000 1.084 370 L CA 0.309 54.612 54.840 -0.894 0.000 0.816 370 L CB 0.026 41.347 42.059 -1.229 0.000 0.967 370 L HN 0.104 nan 8.230 nan 0.000 0.460 371 F N -1.061 118.867 119.950 -0.036 0.000 2.664 371 F HA 0.296 4.823 4.527 -0.000 0.000 0.353 371 F C -1.800 173.994 175.800 -0.010 0.000 1.498 371 F CA -1.554 56.466 58.000 0.033 0.000 1.109 371 F CB 0.065 39.176 39.000 0.184 0.000 1.728 371 F HN -0.206 nan 8.300 nan 0.000 0.580 372 P HA -0.192 nan 4.420 nan 0.000 0.219 372 P C 1.525 178.865 177.300 0.067 0.000 1.146 372 P CA 1.687 64.706 63.100 -0.136 0.000 0.808 372 P CB 0.128 31.627 31.700 -0.335 0.000 0.779 373 S N -0.912 114.843 115.700 0.092 0.000 2.453 373 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 373 S C 1.893 176.572 174.600 0.132 0.000 1.005 373 S CA 0.637 58.900 58.200 0.106 0.000 0.949 373 S CB -0.822 62.435 63.200 0.095 0.000 0.774 373 S HN 0.266 nan 8.310 nan 0.000 0.510 374 Q N -0.465 119.438 119.800 0.172 0.000 2.352 374 Q HA 0.388 4.728 4.340 -0.000 0.000 0.212 374 Q C -0.182 175.890 176.000 0.120 0.000 0.888 374 Q CA 0.139 56.031 55.803 0.149 0.000 0.934 374 Q CB 0.638 29.482 28.738 0.176 0.000 1.093 374 Q HN 0.398 nan 8.270 nan 0.000 0.523 375 I N 1.507 122.173 120.570 0.160 0.000 2.905 375 I HA 0.176 4.346 4.170 -0.000 0.000 0.297 375 I C -2.156 174.108 176.117 0.245 0.000 1.358 375 I CA -2.078 59.323 61.300 0.168 0.000 0.975 375 I CB 0.983 39.072 38.000 0.148 0.000 1.857 375 I HN -0.108 nan 8.210 nan 0.000 0.612 376 P HA -0.140 nan 4.420 nan 0.000 0.212 376 P C -0.014 177.358 177.300 0.120 0.000 1.178 376 P CA 1.447 64.653 63.100 0.176 0.000 0.915 376 P CB 0.321 32.093 31.700 0.120 0.000 0.788 377 E N -0.422 119.828 120.200 0.083 0.000 2.046 377 E HA 0.108 4.458 4.350 -0.000 0.000 0.279 377 E C -1.745 174.823 176.600 -0.053 0.000 0.989 377 E CA -1.680 54.736 56.400 0.025 0.000 0.798 377 E CB 0.672 30.466 29.700 0.157 0.000 1.086 377 E HN 0.262 nan 8.360 nan 0.000 0.399 378 P HA -0.034 nan 4.420 nan 0.000 0.241 378 P C 0.862 178.067 177.300 -0.158 0.000 1.191 378 P CA 0.341 63.364 63.100 -0.129 0.000 0.771 378 P CB 0.388 31.958 31.700 -0.218 0.000 0.929 379 A N 0.345 122.970 122.820 -0.326 0.000 1.940 379 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 379 A C 2.303 179.787 177.584 -0.167 0.000 1.176 379 A CA 1.660 53.451 52.037 -0.410 0.000 0.631 379 A CB -1.732 16.531 19.000 -1.227 0.000 0.814 379 A HN 0.048 nan 8.150 nan 0.000 0.446 380 V N -0.243 119.609 119.914 -0.104 0.000 2.278 380 V HA -0.397 3.723 4.120 -0.000 0.000 0.251 380 V C 2.606 178.766 176.094 0.109 0.000 1.062 380 V CA 2.680 65.001 62.300 0.035 0.000 1.038 380 V CB -0.692 31.183 31.823 0.088 0.000 0.646 380 V HN 0.771 nan 8.190 nan 0.000 0.447 381 M N -0.228 119.469 119.600 0.161 0.000 2.175 381 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 381 M C 2.101 178.498 176.300 0.161 0.000 1.063 381 M CA 1.979 57.435 55.300 0.261 0.000 1.119 381 M CB -0.279 32.366 32.600 0.075 0.000 1.377 381 M HN 0.307 nan 8.290 nan 0.000 0.415 382 A N 0.806 123.677 122.820 0.084 0.000 1.902 382 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 382 A C 2.002 179.733 177.584 0.244 0.000 1.181 382 A CA 1.768 53.850 52.037 0.076 0.000 0.623 382 A CB -1.033 17.914 19.000 -0.088 0.000 0.818 382 A HN 0.630 nan 8.150 nan 0.000 0.443 383 I N -0.358 120.355 120.570 0.239 0.000 2.226 383 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 383 I C 2.987 179.134 176.117 0.049 0.000 1.100 383 I CA 1.003 62.394 61.300 0.152 0.000 1.374 383 I CB -0.422 37.621 38.000 0.070 0.000 1.057 383 I HN 0.365 nan 8.210 nan 0.000 0.413 384 A N 0.844 123.678 122.820 0.025 0.000 1.908 384 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 384 A C 2.264 179.811 177.584 -0.061 0.000 1.181 384 A CA 2.001 54.001 52.037 -0.061 0.000 0.627 384 A CB -1.267 17.670 19.000 -0.105 0.000 0.818 384 A HN 0.479 nan 8.150 nan 0.000 0.445 385 G N -1.397 107.401 108.800 -0.004 0.000 3.088 385 G HA2 0.172 4.132 3.960 -0.000 0.000 0.212 385 G HA3 0.172 4.132 3.960 -0.000 0.000 0.212 385 G C 1.230 175.942 174.900 -0.312 0.000 1.173 385 G CA 0.566 45.545 45.100 -0.203 0.000 0.779 385 G HN 0.503 nan 8.290 nan 0.000 0.540 386 M N 0.577 120.118 119.600 -0.098 0.000 2.229 386 M HA 0.104 4.584 4.480 -0.000 0.000 0.264 386 M C 1.978 178.197 176.300 -0.136 0.000 1.063 386 M CA 1.757 57.039 55.300 -0.029 0.000 1.114 386 M CB 0.167 32.818 32.600 0.084 0.000 1.387 386 M HN 0.133 nan 8.290 nan 0.000 0.420 387 G N -1.289 107.395 108.800 -0.193 0.000 3.393 387 G HA2 0.398 4.358 3.960 -0.000 0.000 0.255 387 G HA3 0.398 4.358 3.960 -0.000 0.000 0.255 387 G C 1.125 175.858 174.900 -0.279 0.000 1.097 387 G CA 0.413 45.397 45.100 -0.194 0.000 0.780 387 G HN 0.532 nan 8.290 nan 0.000 0.540 388 A N 0.535 123.062 122.820 -0.489 0.000 1.898 388 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 388 A C 2.159 179.498 177.584 -0.409 0.000 1.181 388 A CA 0.790 52.481 52.037 -0.576 0.000 0.620 388 A CB -0.340 17.977 19.000 -1.137 0.000 0.819 388 A HN 0.361 nan 8.150 nan 0.000 0.442 389 L N -0.304 120.664 121.223 -0.424 0.000 2.046 389 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 389 L C 2.496 179.240 176.870 -0.210 0.000 1.077 389 L CA 1.325 56.084 54.840 -0.136 0.000 0.747 389 L CB -0.256 41.759 42.059 -0.074 0.000 0.896 389 L HN 0.274 nan 8.230 nan 0.000 0.432 390 V N 0.014 119.767 119.914 -0.268 0.000 2.343 390 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 390 V C 2.744 178.709 176.094 -0.215 0.000 1.051 390 V CA 1.744 63.849 62.300 -0.324 0.000 1.036 390 V CB -0.688 30.927 31.823 -0.346 0.000 0.654 390 V HN 0.564 nan 8.190 nan 0.000 0.451 391 A N -0.398 122.335 122.820 -0.145 0.000 1.933 391 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 391 A C 2.356 179.915 177.584 -0.043 0.000 1.175 391 A CA 2.076 54.068 52.037 -0.075 0.000 0.628 391 A CB -0.602 18.358 19.000 -0.067 0.000 0.814 391 A HN 0.573 nan 8.150 nan 0.000 0.444 392 A N -0.419 122.380 122.820 -0.036 0.000 1.874 392 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 392 A C 2.409 180.002 177.584 0.016 0.000 1.189 392 A CA 2.206 54.258 52.037 0.025 0.000 0.615 392 A CB -1.222 17.828 19.000 0.084 0.000 0.830 392 A HN 0.712 nan 8.150 nan 0.000 0.443 393 T N -3.355 111.172 114.554 -0.046 0.000 2.951 393 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 393 T C 1.403 176.036 174.700 -0.112 0.000 1.073 393 T CA 1.475 63.536 62.100 -0.065 0.000 1.134 393 T CB -0.050 68.738 68.868 -0.134 0.000 0.884 393 T HN 0.054 nan 8.240 nan 0.000 0.479 394 V N 0.596 120.434 119.914 -0.127 0.000 3.523 394 V HA 0.415 4.535 4.120 -0.000 0.000 0.255 394 V C 1.513 177.621 176.094 0.023 0.000 1.226 394 V CA 0.454 62.694 62.300 -0.100 0.000 1.092 394 V CB -0.559 31.191 31.823 -0.121 0.000 0.817 394 V HN 0.644 nan 8.190 nan 0.000 0.458 395 R N 0.154 120.668 120.500 0.022 0.000 3.919 395 R HA -0.195 4.145 4.340 -0.000 0.000 0.412 395 R C 0.158 176.491 176.300 0.055 0.000 1.102 395 R CA 0.730 56.859 56.100 0.048 0.000 1.082 395 R CB -1.602 28.738 30.300 0.066 0.000 1.671 395 R HN 0.532 nan 8.270 nan 0.000 0.540 396 A N 0.702 123.555 122.820 0.056 0.000 3.047 396 A HA 0.452 4.772 4.320 -0.000 0.000 0.337 396 A C -1.476 176.137 177.584 0.047 0.000 1.143 396 A CA -1.139 50.943 52.037 0.075 0.000 0.905 396 A CB 0.884 19.968 19.000 0.141 0.000 1.088 396 A HN 0.234 nan 8.150 nan 0.000 0.488 397 P HA -0.169 nan 4.420 nan 0.000 0.216 397 P C 1.691 178.994 177.300 0.004 0.000 1.153 397 P CA 0.461 63.562 63.100 0.001 0.000 0.844 397 P CB 0.185 31.884 31.700 -0.003 0.000 0.787 398 L N 0.475 121.706 121.223 0.014 0.000 2.081 398 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 398 L C 2.328 179.207 176.870 0.015 0.000 1.080 398 L CA 3.091 57.937 54.840 0.010 0.000 0.754 398 L CB -1.614 40.453 42.059 0.014 0.000 0.893 398 L HN 0.147 nan 8.230 nan 0.000 0.433 399 T N -2.165 112.414 114.554 0.041 0.000 2.937 399 T HA 0.015 4.365 4.350 -0.000 0.000 0.260 399 T C 1.988 176.722 174.700 0.056 0.000 1.051 399 T CA 1.012 63.145 62.100 0.055 0.000 1.141 399 T CB -0.157 68.775 68.868 0.106 0.000 0.879 399 T HN 0.372 nan 8.240 nan 0.000 0.459 400 A N 1.520 124.375 122.820 0.058 0.000 1.902 400 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 400 A C 2.340 179.907 177.584 -0.029 0.000 1.181 400 A CA 1.564 53.613 52.037 0.021 0.000 0.623 400 A CB -0.878 18.107 19.000 -0.026 0.000 0.818 400 A HN 0.626 nan 8.150 nan 0.000 0.443 401 I N -0.392 120.158 120.570 -0.034 0.000 2.099 401 I HA -0.303 3.866 4.170 -0.000 0.000 0.239 401 I C 2.492 178.586 176.117 -0.038 0.000 1.066 401 I CA 1.457 62.727 61.300 -0.050 0.000 1.324 401 I CB -0.465 37.508 38.000 -0.046 0.000 1.037 401 I HN 0.300 nan 8.210 nan 0.000 0.401 402 L N 0.106 121.316 121.223 -0.022 0.000 2.013 402 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 402 L C 2.626 179.477 176.870 -0.032 0.000 1.073 402 L CA 1.373 56.201 54.840 -0.019 0.000 0.753 402 L CB -0.562 41.486 42.059 -0.019 0.000 0.890 402 L HN 0.340 nan 8.230 nan 0.000 0.432 403 L N -0.139 121.059 121.223 -0.043 0.000 1.997 403 L HA -0.321 4.019 4.340 -0.000 0.000 0.216 403 L C 2.882 179.697 176.870 -0.092 0.000 1.074 403 L CA 2.534 57.323 54.840 -0.085 0.000 0.763 403 L CB -0.511 41.481 42.059 -0.111 0.000 0.890 403 L HN 0.559 nan 8.230 nan 0.000 0.434 404 T N -2.387 112.119 114.554 -0.081 0.000 2.777 404 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 404 T C 1.818 176.488 174.700 -0.050 0.000 1.040 404 T CA 1.427 63.483 62.100 -0.075 0.000 1.141 404 T CB -0.661 68.163 68.868 -0.073 0.000 0.868 404 T HN 0.356 nan 8.240 nan 0.000 0.444 405 I N 1.418 121.968 120.570 -0.034 0.000 2.163 405 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 405 I C 2.908 179.024 176.117 -0.002 0.000 1.085 405 I CA 1.917 63.214 61.300 -0.005 0.000 1.347 405 I CB -0.459 37.556 38.000 0.024 0.000 1.044 405 I HN 0.397 nan 8.210 nan 0.000 0.408 406 E N 0.716 120.909 120.200 -0.012 0.000 2.204 406 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 406 E C 1.838 178.438 176.600 0.001 0.000 0.989 406 E CA 1.218 57.614 56.400 -0.007 0.000 0.824 406 E CB -0.059 29.636 29.700 -0.008 0.000 0.756 406 E HN 0.611 nan 8.360 nan 0.000 0.477 407 M N -1.094 118.499 119.600 -0.013 0.000 2.560 407 M HA 0.220 4.700 4.480 -0.000 0.000 0.297 407 M C 0.766 177.049 176.300 -0.030 0.000 1.201 407 M CA 0.318 55.615 55.300 -0.005 0.000 0.973 407 M CB 0.426 33.023 32.600 -0.004 0.000 1.401 407 M HN -0.120 nan 8.290 nan 0.000 0.497 408 T N -5.756 108.785 114.554 -0.023 0.000 3.186 408 T HA 0.184 4.533 4.350 -0.000 0.000 0.292 408 T C 0.132 174.844 174.700 0.021 0.000 0.915 408 T CA 0.070 62.156 62.100 -0.022 0.000 0.902 408 T CB -0.003 68.842 68.868 -0.039 0.000 1.192 408 T HN 0.350 nan 8.240 nan 0.000 0.563 409 D N 1.394 121.808 120.400 0.023 0.000 3.070 409 D HA -0.146 4.494 4.640 -0.000 0.000 0.220 409 D C -0.222 176.123 176.300 0.075 0.000 1.176 409 D CA 1.051 55.073 54.000 0.037 0.000 0.924 409 D CB -1.316 39.505 40.800 0.035 0.000 1.124 409 D HN 0.558 nan 8.370 nan 0.000 0.411 410 N N -0.092 118.661 118.700 0.088 0.000 2.476 410 N HA 0.138 4.878 4.740 -0.000 0.000 0.257 410 N C -0.057 175.513 175.510 0.100 0.000 0.970 410 N CA -0.355 52.787 53.050 0.153 0.000 0.938 410 N CB 0.644 39.239 38.487 0.180 0.000 1.144 410 N HN 0.086 nan 8.380 nan 0.000 0.500 411 Y N 4.188 124.414 120.300 -0.124 0.000 2.497 411 Y HA 0.241 4.790 4.550 -0.000 0.000 0.265 411 Y C 0.798 176.574 175.900 -0.207 0.000 1.111 411 Y CA 0.300 58.273 58.100 -0.211 0.000 1.288 411 Y CB 0.018 38.297 38.460 -0.302 0.000 1.082 411 Y HN 0.446 nan 8.280 nan 0.000 0.536 412 F N -0.664 119.256 119.950 -0.050 0.000 2.250 412 F HA -0.160 4.367 4.527 -0.000 0.000 0.301 412 F C 1.811 177.492 175.800 -0.197 0.000 1.077 412 F CA 1.116 59.057 58.000 -0.098 0.000 1.348 412 F CB -0.573 38.427 39.000 0.001 0.000 1.040 412 F HN -0.127 nan 8.300 nan 0.000 0.509 413 V N 0.358 120.245 119.914 -0.045 0.000 3.577 413 V HA -0.043 4.076 4.120 -0.000 0.000 0.294 413 V C 1.939 177.866 176.094 -0.279 0.000 1.317 413 V CA 0.189 62.411 62.300 -0.130 0.000 1.169 413 V CB -0.757 31.024 31.823 -0.068 0.000 1.011 413 V HN 0.381 nan 8.190 nan 0.000 0.426 414 I N -0.096 120.229 120.570 -0.410 0.000 2.179 414 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 414 I C 2.242 178.163 176.117 -0.327 0.000 1.088 414 I CA 1.812 62.848 61.300 -0.439 0.000 1.357 414 I CB 0.171 37.729 38.000 -0.737 0.000 1.051 414 I HN 0.266 nan 8.210 nan 0.000 0.409 415 L N 0.905 121.948 121.223 -0.299 0.000 1.989 415 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 415 L C -0.219 176.450 176.870 -0.336 0.000 1.071 415 L CA 1.700 56.396 54.840 -0.241 0.000 0.749 415 L CB -2.421 39.536 42.059 -0.169 0.000 0.890 415 L HN 0.240 nan 8.230 nan 0.000 0.431 416 P HA -0.193 nan 4.420 nan 0.000 0.215 416 P C 2.025 178.916 177.300 -0.682 0.000 1.153 416 P CA 1.342 63.791 63.100 -1.085 0.000 0.853 416 P CB 0.080 30.768 31.700 -1.687 0.000 0.788 417 L N -1.139 119.814 121.223 -0.450 0.000 1.970 417 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 417 L C 2.431 179.181 176.870 -0.200 0.000 1.071 417 L CA 1.695 56.370 54.840 -0.276 0.000 0.751 417 L CB -0.898 41.028 42.059 -0.222 0.000 0.889 417 L HN -0.044 nan 8.230 nan 0.000 0.432 418 L N -1.146 119.966 121.223 -0.184 0.000 1.990 418 L HA -0.303 4.037 4.340 -0.000 0.000 0.213 418 L C 2.435 179.249 176.870 -0.093 0.000 1.072 418 L CA 1.461 56.229 54.840 -0.119 0.000 0.755 418 L CB -0.503 41.493 42.059 -0.105 0.000 0.889 418 L HN 0.136 nan 8.230 nan 0.000 0.432 419 V N -1.110 118.738 119.914 -0.110 0.000 2.237 419 V HA -0.334 3.786 4.120 -0.000 0.000 0.245 419 V C 2.598 178.685 176.094 -0.011 0.000 1.046 419 V CA 2.440 64.711 62.300 -0.048 0.000 1.007 419 V CB -0.686 31.119 31.823 -0.029 0.000 0.638 419 V HN 0.559 nan 8.190 nan 0.000 0.445 420 T N -1.663 112.881 114.554 -0.017 0.000 2.720 420 T HA -0.254 4.095 4.350 -0.000 0.000 0.268 420 T C 1.934 176.636 174.700 0.002 0.000 1.037 420 T CA 2.350 64.477 62.100 0.046 0.000 1.144 420 T CB -0.481 68.439 68.868 0.086 0.000 0.864 420 T HN 0.559 nan 8.240 nan 0.000 0.444 421 C N 1.017 120.284 119.300 -0.054 0.000 2.446 421 C HA 0.102 4.562 4.460 -0.000 0.000 0.277 421 C C 2.476 177.450 174.990 -0.027 0.000 1.275 421 C CA 0.986 59.963 59.018 -0.067 0.000 1.727 421 C CB -1.136 26.552 27.740 -0.086 0.000 2.010 421 C HN 0.803 nan 8.230 nan 0.000 0.486 422 L N -1.035 120.179 121.223 -0.015 0.000 2.375 422 L HA 0.191 4.531 4.340 -0.000 0.000 0.215 422 L C 1.983 178.865 176.870 0.021 0.000 1.108 422 L CA 1.488 56.329 54.840 0.002 0.000 0.830 422 L CB -1.271 40.787 42.059 -0.002 0.000 0.959 422 L HN 0.059 nan 8.230 nan 0.000 0.457 423 V N 0.918 120.850 119.914 0.029 0.000 2.453 423 V HA -0.144 3.975 4.120 -0.000 0.000 0.247 423 V C 3.004 179.136 176.094 0.064 0.000 1.048 423 V CA 1.589 63.917 62.300 0.047 0.000 1.049 423 V CB -0.917 30.941 31.823 0.058 0.000 0.672 423 V HN 0.607 nan 8.190 nan 0.000 0.457 424 A N -0.775 122.089 122.820 0.074 0.000 1.933 424 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 424 A C 2.553 180.184 177.584 0.079 0.000 1.175 424 A CA 2.169 54.268 52.037 0.104 0.000 0.628 424 A CB -0.695 18.374 19.000 0.115 0.000 0.814 424 A HN 0.476 nan 8.150 nan 0.000 0.444 425 S N -0.729 115.000 115.700 0.049 0.000 2.355 425 S HA -0.114 4.356 4.470 -0.000 0.000 0.222 425 S C 1.922 176.554 174.600 0.053 0.000 1.031 425 S CA 1.597 59.824 58.200 0.045 0.000 0.993 425 S CB -0.443 62.773 63.200 0.028 0.000 0.859 425 S HN 0.282 nan 8.310 nan 0.000 0.453 426 V N 1.439 121.381 119.914 0.047 0.000 2.307 426 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 426 V C 2.482 178.604 176.094 0.046 0.000 1.045 426 V CA 1.719 64.045 62.300 0.043 0.000 1.024 426 V CB -0.642 31.202 31.823 0.036 0.000 0.651 426 V HN 0.418 nan 8.190 nan 0.000 0.449 427 V N 0.237 120.182 119.914 0.050 0.000 2.407 427 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 427 V C 2.640 178.762 176.094 0.046 0.000 1.055 427 V CA 1.881 64.206 62.300 0.041 0.000 1.049 427 V CB -1.042 30.810 31.823 0.049 0.000 0.662 427 V HN 0.559 nan 8.190 nan 0.000 0.455 428 A N -0.220 122.651 122.820 0.085 0.000 1.845 428 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 428 A C 1.971 179.642 177.584 0.146 0.000 1.195 428 A CA 1.592 53.712 52.037 0.138 0.000 0.616 428 A CB -0.432 18.656 19.000 0.148 0.000 0.832 428 A HN 0.593 nan 8.150 nan 0.000 0.443 429 E N -0.467 119.799 120.200 0.110 0.000 2.365 429 E HA 0.303 4.653 4.350 -0.000 0.000 0.188 429 E C 1.228 177.871 176.600 0.071 0.000 1.102 429 E CA 0.202 56.665 56.400 0.105 0.000 0.927 429 E CB -0.006 29.747 29.700 0.087 0.000 1.073 429 E HN 0.599 nan 8.360 nan 0.000 0.467 430 A N 0.113 122.961 122.820 0.046 0.000 2.085 430 A HA 0.125 4.445 4.320 -0.000 0.000 0.208 430 A C 1.716 179.288 177.584 -0.019 0.000 1.191 430 A CA -0.032 52.014 52.037 0.016 0.000 0.799 430 A CB 0.180 19.184 19.000 0.006 0.000 0.877 430 A HN 0.184 nan 8.150 nan 0.000 0.473 431 L N -0.196 120.985 121.223 -0.071 0.000 2.591 431 L HA 0.250 4.590 4.340 -0.000 0.000 0.228 431 L C 1.162 178.023 176.870 -0.014 0.000 1.133 431 L CA 0.446 55.149 54.840 -0.228 0.000 0.880 431 L CB -0.349 41.279 42.059 -0.720 0.000 1.033 431 L HN 0.494 nan 8.230 nan 0.000 0.450 432 G N 0.725 109.599 108.800 0.124 0.000 2.462 432 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.283 432 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.283 432 G C 0.632 175.748 174.900 0.359 0.000 1.043 432 G CA 0.129 45.352 45.100 0.205 0.000 1.300 432 G HN 0.475 nan 8.290 nan 0.000 0.518 433 G N -0.192 108.810 108.800 0.336 0.000 2.724 433 G HA2 0.467 4.427 3.960 -0.000 0.000 0.205 433 G HA3 0.467 4.427 3.960 -0.000 0.000 0.205 433 G C 0.589 175.609 174.900 0.200 0.000 1.112 433 G CA 0.714 45.991 45.100 0.295 0.000 0.793 433 G HN 1.170 nan 8.290 nan 0.000 0.526 434 K N -0.655 119.846 120.400 0.168 0.000 6.815 434 K HA -0.118 4.202 4.320 -0.000 0.000 0.578 434 K C -2.945 173.737 176.600 0.138 0.000 2.576 434 K CA -0.118 56.251 56.287 0.137 0.000 2.027 434 K CB -0.858 31.715 32.500 0.121 0.000 2.390 434 K HN 0.087 nan 8.250 nan 0.000 0.192 435 P HA 0.028 nan 4.420 nan 0.000 0.262 435 P C 0.759 178.130 177.300 0.119 0.000 1.199 435 P CA 0.138 63.299 63.100 0.102 0.000 0.763 435 P CB 0.348 32.118 31.700 0.117 0.000 0.790 436 I N 3.186 123.783 120.570 0.045 0.000 2.423 436 I HA -0.305 3.865 4.170 -0.000 0.000 0.254 436 I C 0.881 177.047 176.117 0.081 0.000 1.151 436 I CA 1.706 63.044 61.300 0.063 0.000 1.421 436 I CB 0.058 37.946 38.000 -0.188 0.000 1.079 436 I HN 0.318 nan 8.210 nan 0.000 0.431 437 Y N 0.696 121.077 120.300 0.134 0.000 2.314 437 Y HA -0.134 4.416 4.550 -0.000 0.000 0.294 437 Y C 2.958 178.924 175.900 0.109 0.000 1.119 437 Y CA 1.453 59.629 58.100 0.127 0.000 1.179 437 Y CB -1.179 37.354 38.460 0.122 0.000 1.025 437 Y HN 0.304 nan 8.280 nan 0.000 0.541 438 T N -3.112 111.589 114.554 0.244 0.000 2.867 438 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 438 T C 1.969 176.727 174.700 0.096 0.000 1.057 438 T CA 1.334 63.524 62.100 0.150 0.000 1.136 438 T CB -0.984 67.954 68.868 0.116 0.000 0.874 438 T HN 0.067 nan 8.240 nan 0.000 0.466 439 V N 1.193 121.155 119.914 0.080 0.000 2.323 439 V HA 0.003 4.123 4.120 -0.000 0.000 0.244 439 V C 2.613 178.700 176.094 -0.012 0.000 1.041 439 V CA 1.022 63.291 62.300 -0.050 0.000 1.025 439 V CB -0.783 30.908 31.823 -0.219 0.000 0.656 439 V HN 0.325 nan 8.190 nan 0.000 0.451 440 L N -0.387 120.918 121.223 0.137 0.000 2.349 440 L HA -0.127 4.213 4.340 -0.000 0.000 0.220 440 L C 2.016 178.981 176.870 0.158 0.000 1.130 440 L CA 1.571 56.533 54.840 0.204 0.000 0.791 440 L CB -0.721 41.542 42.059 0.340 0.000 0.918 440 L HN 0.263 nan 8.230 nan 0.000 0.444 441 L N -1.311 119.990 121.223 0.131 0.000 2.145 441 L HA -0.093 4.247 4.340 -0.000 0.000 0.201 441 L C 2.183 179.087 176.870 0.057 0.000 1.075 441 L CA 1.022 55.922 54.840 0.099 0.000 0.773 441 L CB -0.185 41.934 42.059 0.100 0.000 0.936 441 L HN 0.308 nan 8.230 nan 0.000 0.451 442 E N -0.116 120.103 120.200 0.032 0.000 2.118 442 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 442 E C 2.167 178.767 176.600 -0.000 0.000 0.992 442 E CA 1.281 57.684 56.400 0.005 0.000 0.804 442 E CB 0.026 29.712 29.700 -0.024 0.000 0.741 442 E HN 0.492 nan 8.360 nan 0.000 0.458 443 R N 0.094 120.594 120.500 -0.001 0.000 2.057 443 R HA -0.073 4.267 4.340 -0.000 0.000 0.229 443 R C 2.721 179.041 176.300 0.033 0.000 1.136 443 R CA 1.782 57.887 56.100 0.008 0.000 0.952 443 R CB -0.666 29.644 30.300 0.015 0.000 0.848 443 R HN 0.274 nan 8.270 nan 0.000 0.430 444 T N -0.278 114.308 114.554 0.054 0.000 2.929 444 T HA -0.036 4.314 4.350 -0.000 0.000 0.271 444 T C 1.943 176.667 174.700 0.041 0.000 1.085 444 T CA 0.799 62.932 62.100 0.055 0.000 1.125 444 T CB -0.160 68.751 68.868 0.073 0.000 0.874 444 T HN 0.094 nan 8.240 nan 0.000 0.494 445 L N 0.586 121.830 121.223 0.035 0.000 2.095 445 L HA 0.153 4.493 4.340 -0.000 0.000 0.204 445 L C 3.287 180.168 176.870 0.017 0.000 1.080 445 L CA 1.022 55.878 54.840 0.025 0.000 0.759 445 L CB -0.800 41.272 42.059 0.022 0.000 0.914 445 L HN 0.362 nan 8.230 nan 0.000 0.439 446 A N -0.076 122.752 122.820 0.014 0.000 2.084 446 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 446 A C 1.615 179.205 177.584 0.011 0.000 1.161 446 A CA 1.414 53.456 52.037 0.009 0.000 0.653 446 A CB -0.373 18.630 19.000 0.005 0.000 0.802 446 A HN 0.180 nan 8.150 nan 0.000 0.457 447 K N 0.673 121.083 120.400 0.017 0.000 3.165 447 K HA 0.126 4.446 4.320 -0.000 0.000 0.270 447 K C 0.318 176.925 176.600 0.012 0.000 1.111 447 K CA 0.138 56.434 56.287 0.015 0.000 1.216 447 K CB -0.107 32.406 32.500 0.021 0.000 1.229 447 K HN 0.690 nan 8.250 nan 0.000 0.435 448 Q N 0.557 120.362 119.800 0.009 0.000 2.292 448 Q HA 0.036 4.376 4.340 -0.000 0.000 0.235 448 Q C -0.118 175.883 176.000 0.002 0.000 0.910 448 Q CA 0.158 55.965 55.803 0.007 0.000 0.952 448 Q CB -0.575 28.166 28.738 0.006 0.000 1.089 448 Q HN 0.279 nan 8.270 nan 0.000 0.431 449 N N -0.991 117.709 118.700 0.001 0.000 1.961 449 N HA 0.029 4.769 4.740 -0.000 0.000 0.219 449 N C -0.497 175.010 175.510 -0.005 0.000 1.432 449 N CA -0.493 52.555 53.050 -0.004 0.000 0.747 449 N CB 0.170 38.654 38.487 -0.005 0.000 1.121 449 N HN 0.067 nan 8.380 nan 0.000 0.575 450 R N 0.000 120.499 120.500 -0.001 0.000 2.786 450 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 450 R CA 0.000 56.100 56.100 -0.001 0.000 0.921 450 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 450 R HN 0.000 nan 8.270 nan 0.000 0.535