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 3fj6_1_A DATA FIRST_RESID 33 DATA SEQUENCE GDERFYAEHL MPTLQGLLDP ESAHRLAVRF TSLGLLPXXX FQDSDMLEVR DATA SEQUENCE VLGHKFRNPV GIAAGFDKHG EAVDGLYKMG FGFVEIGSVT PKPQEGNPRP DATA SEQUENCE RVFRLPEDQA VINRYGFNSH GLSVVEHRLR ARQQKQAKLT EDGLPLGVNL DATA SEQUENCE GKNKTSVDAA EDYAEGVRVL GPLADYLVVN VSSPNTAGLR SLQGKAELRR DATA SEQUENCE LLTKVLQERD GLRRVHRPAV LVKIAPDLTS QDKEDIASVV KELGIDGLIV DATA SEQUENCE TNTTVSRPAG LQGALRSETG GLSGKPLRDL STQTIREMYA LTQGRVPIIG DATA SEQUENCE VGGVSSGQDA LEKIRAGASL VQLYTALTFW GPPVVGKVKR ELEALLKEQG DATA SEQUENCE FGGVTDAIGA DHRR 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 33 G C 0.000 174.973 174.900 0.121 0.000 0.946 33 G CA 0.000 45.188 45.100 0.147 0.000 0.502 34 D N -0.135 120.427 120.400 0.269 0.000 2.505 34 D HA 0.469 5.110 4.640 0.003 0.000 0.249 34 D C 1.290 177.770 176.300 0.300 0.000 1.082 34 D CA -0.539 53.603 54.000 0.236 0.000 0.839 34 D CB 1.649 42.589 40.800 0.233 0.000 1.317 34 D HN 0.050 nan 8.370 nan 0.000 0.497 35 E N 2.011 122.300 120.200 0.149 0.000 2.085 35 E HA -0.210 4.142 4.350 0.003 0.000 0.194 35 E C 1.638 178.344 176.600 0.177 0.000 0.994 35 E CA 0.750 57.217 56.400 0.112 0.000 0.801 35 E CB 0.175 29.879 29.700 0.006 0.000 0.743 35 E HN 0.415 nan 8.360 nan 0.000 0.453 36 R N 0.008 120.610 120.500 0.171 0.000 2.075 36 R HA -0.128 4.214 4.340 0.003 0.000 0.232 36 R C 2.227 178.681 176.300 0.255 0.000 1.126 36 R CA 1.080 57.277 56.100 0.161 0.000 0.963 36 R CB -0.247 30.132 30.300 0.133 0.000 0.858 36 R HN 0.152 nan 8.270 nan 0.000 0.435 37 F N 0.209 120.288 119.950 0.215 0.000 2.126 37 F HA -0.245 4.284 4.527 0.002 0.000 0.299 37 F C 1.512 177.430 175.800 0.197 0.000 1.096 37 F CA 1.524 59.664 58.000 0.234 0.000 1.255 37 F CB -0.382 38.720 39.000 0.170 0.000 0.997 37 F HN 0.018 nan 8.300 nan 0.000 0.479 38 Y N 0.111 120.506 120.300 0.158 0.000 2.145 38 Y HA -0.134 4.417 4.550 0.002 0.000 0.286 38 Y C 2.638 178.580 175.900 0.070 0.000 1.145 38 Y CA 1.619 59.764 58.100 0.074 0.000 1.148 38 Y CB -1.257 37.306 38.460 0.172 0.000 0.981 38 Y HN 0.137 nan 8.280 nan 0.000 0.507 39 A N -0.080 122.931 122.820 0.318 0.000 1.898 39 A HA -0.183 4.139 4.320 0.003 0.000 0.216 39 A C 2.005 179.695 177.584 0.177 0.000 1.181 39 A CA 1.982 54.253 52.037 0.391 0.000 0.620 39 A CB -0.519 18.655 19.000 0.290 0.000 0.819 39 A HN 0.531 nan 8.150 nan 0.000 0.442 40 E N -2.241 117.942 120.200 -0.028 0.000 2.250 40 E HA -0.012 4.340 4.350 0.003 0.000 0.192 40 E C 1.474 177.732 176.600 -0.571 0.000 0.986 40 E CA 1.012 57.237 56.400 -0.291 0.000 0.849 40 E CB 0.030 29.489 29.700 -0.402 0.000 0.797 40 E HN 0.864 nan 8.360 nan 0.000 0.482 41 H N -0.842 118.077 119.070 -0.253 0.000 2.179 41 H HA 0.182 4.739 4.556 0.002 0.000 0.246 41 H C 1.777 176.833 175.328 -0.454 0.000 0.904 41 H CA -0.151 55.659 56.048 -0.396 0.000 1.113 41 H CB 0.260 29.666 29.762 -0.592 0.000 1.396 41 H HN -0.093 nan 8.280 nan 0.000 0.484 42 L N 0.358 121.237 121.223 -0.573 0.000 1.994 42 L HA -0.174 4.168 4.340 0.003 0.000 0.208 42 L C 1.737 178.482 176.870 -0.209 0.000 1.071 42 L CA 1.188 55.756 54.840 -0.454 0.000 0.745 42 L CB -0.029 41.626 42.059 -0.674 0.000 0.892 42 L HN 0.277 nan 8.230 nan 0.000 0.431 43 M N -0.363 119.166 119.600 -0.118 0.000 2.086 43 M HA -0.091 4.391 4.480 0.003 0.000 0.261 43 M C -0.081 176.194 176.300 -0.042 0.000 1.067 43 M CA 1.747 57.026 55.300 -0.036 0.000 1.116 43 M CB -2.536 30.091 32.600 0.045 0.000 1.348 43 M HN 0.130 nan 8.290 nan 0.000 0.407 44 P HA -0.073 nan 4.420 nan 0.000 0.218 44 P C 1.479 178.758 177.300 -0.034 0.000 1.149 44 P CA 1.370 64.454 63.100 -0.027 0.000 0.817 44 P CB -0.286 31.393 31.700 -0.034 0.000 0.785 45 T N -0.144 114.378 114.554 -0.053 0.000 2.777 45 T HA -0.114 4.237 4.350 0.003 0.000 0.266 45 T C 1.651 176.326 174.700 -0.042 0.000 1.040 45 T CA 0.827 62.902 62.100 -0.042 0.000 1.141 45 T CB -0.908 67.929 68.868 -0.052 0.000 0.868 45 T HN -0.009 nan 8.240 nan 0.000 0.444 46 L N 1.442 122.631 121.223 -0.058 0.000 2.042 46 L HA -0.115 4.227 4.340 0.003 0.000 0.210 46 L C 2.408 179.253 176.870 -0.040 0.000 1.076 46 L CA 1.784 56.591 54.840 -0.055 0.000 0.749 46 L CB -0.781 41.237 42.059 -0.068 0.000 0.893 46 L HN 0.275 nan 8.230 nan 0.000 0.432 47 Q N -1.159 118.618 119.800 -0.038 0.000 2.226 47 Q HA -0.111 4.231 4.340 0.003 0.000 0.204 47 Q C 1.958 177.949 176.000 -0.015 0.000 0.975 47 Q CA 1.194 56.979 55.803 -0.029 0.000 0.866 47 Q CB -0.417 28.309 28.738 -0.019 0.000 0.915 47 Q HN 0.686 nan 8.270 nan 0.000 0.440 48 G N -0.185 108.607 108.800 -0.013 0.000 2.623 48 G HA2 -0.039 3.923 3.960 0.003 0.000 0.214 48 G HA3 -0.039 3.923 3.960 0.003 0.000 0.214 48 G C 1.244 176.140 174.900 -0.006 0.000 1.138 48 G CA 0.064 45.160 45.100 -0.006 0.000 0.794 48 G HN 0.147 nan 8.290 nan 0.000 0.535 49 L N -0.829 120.387 121.223 -0.011 0.000 2.357 49 L HA 0.434 4.776 4.340 0.003 0.000 0.211 49 L C 0.524 177.390 176.870 -0.007 0.000 1.075 49 L CA 0.292 55.127 54.840 -0.008 0.000 0.830 49 L CB 0.139 42.192 42.059 -0.010 0.000 0.996 49 L HN 0.034 nan 8.230 nan 0.000 0.467 50 L N -0.080 121.136 121.223 -0.013 0.000 2.370 50 L HA 0.298 4.640 4.340 0.003 0.000 0.266 50 L C -0.720 176.140 176.870 -0.017 0.000 1.002 50 L CA -1.001 53.832 54.840 -0.012 0.000 0.818 50 L CB 2.148 44.200 42.059 -0.012 0.000 1.325 50 L HN 0.084 nan 8.230 nan 0.000 0.418 51 D N 1.268 121.656 120.400 -0.019 0.000 2.362 51 D HA 0.073 4.715 4.640 0.003 0.000 0.242 51 D C -2.184 174.089 176.300 -0.045 0.000 1.132 51 D CA -1.313 52.666 54.000 -0.035 0.000 0.907 51 D CB 1.581 42.355 40.800 -0.042 0.000 1.195 51 D HN 0.194 nan 8.370 nan 0.000 0.429 52 P HA -0.166 nan 4.420 nan 0.000 0.215 52 P C 1.346 178.636 177.300 -0.017 0.000 1.153 52 P CA 1.276 64.331 63.100 -0.075 0.000 0.853 52 P CB 0.106 31.721 31.700 -0.142 0.000 0.788 53 E N -0.288 119.889 120.200 -0.039 0.000 2.085 53 E HA -0.151 4.201 4.350 0.003 0.000 0.194 53 E C 1.873 178.531 176.600 0.098 0.000 0.994 53 E CA 1.518 57.961 56.400 0.073 0.000 0.801 53 E CB -0.310 29.407 29.700 0.027 0.000 0.743 53 E HN 0.081 nan 8.360 nan 0.000 0.453 54 S N 0.306 116.029 115.700 0.037 0.000 2.368 54 S HA -0.150 4.322 4.470 0.003 0.000 0.225 54 S C 2.038 176.657 174.600 0.031 0.000 1.030 54 S CA 0.919 59.138 58.200 0.032 0.000 0.999 54 S CB -0.260 62.948 63.200 0.014 0.000 0.844 54 S HN 0.490 nan 8.310 nan 0.000 0.459 55 A N 1.480 124.316 122.820 0.028 0.000 1.902 55 A HA -0.210 4.112 4.320 0.003 0.000 0.217 55 A C 1.972 179.592 177.584 0.060 0.000 1.181 55 A CA 1.726 53.776 52.037 0.022 0.000 0.623 55 A CB -1.020 17.981 19.000 0.001 0.000 0.818 55 A HN 0.705 nan 8.150 nan 0.000 0.443 56 H N -0.293 118.780 119.070 0.005 0.000 2.321 56 H HA -0.072 4.485 4.556 0.003 0.000 0.300 56 H C 2.340 177.631 175.328 -0.062 0.000 1.087 56 H CA 1.710 57.754 56.048 -0.006 0.000 1.319 56 H CB -0.031 29.739 29.762 0.012 0.000 1.379 56 H HN 0.457 nan 8.280 nan 0.000 0.501 57 R N -0.098 120.310 120.500 -0.154 0.000 2.091 57 R HA -0.148 4.194 4.340 0.003 0.000 0.238 57 R C 2.570 178.800 176.300 -0.116 0.000 1.136 57 R CA 1.357 57.348 56.100 -0.182 0.000 0.959 57 R CB -0.290 29.994 30.300 -0.026 0.000 0.856 57 R HN 0.222 nan 8.270 nan 0.000 0.437 58 L N 0.710 121.918 121.223 -0.024 0.000 2.046 58 L HA -0.112 4.230 4.340 0.003 0.000 0.208 58 L C 2.276 179.210 176.870 0.106 0.000 1.077 58 L CA 1.889 56.773 54.840 0.074 0.000 0.747 58 L CB -0.705 41.386 42.059 0.053 0.000 0.896 58 L HN 0.163 nan 8.230 nan 0.000 0.432 59 A N -1.162 121.664 122.820 0.010 0.000 1.892 59 A HA -0.206 4.115 4.320 0.003 0.000 0.218 59 A C 2.277 179.925 177.584 0.106 0.000 1.188 59 A CA 2.296 54.392 52.037 0.099 0.000 0.631 59 A CB -1.189 17.930 19.000 0.198 0.000 0.822 59 A HN 0.292 nan 8.150 nan 0.000 0.447 60 V N -0.006 119.786 119.914 -0.203 0.000 2.343 60 V HA -0.285 3.837 4.120 0.003 0.000 0.247 60 V C 2.653 178.737 176.094 -0.017 0.000 1.051 60 V CA 2.255 64.411 62.300 -0.239 0.000 1.036 60 V CB -0.871 30.648 31.823 -0.507 0.000 0.654 60 V HN 0.518 nan 8.190 nan 0.000 0.451 61 R N -0.927 119.590 120.500 0.028 0.000 2.070 61 R HA -0.155 4.187 4.340 0.003 0.000 0.232 61 R C 2.290 178.655 176.300 0.107 0.000 1.138 61 R CA 1.976 58.117 56.100 0.068 0.000 0.936 61 R CB -0.623 29.730 30.300 0.088 0.000 0.839 61 R HN 0.403 nan 8.270 nan 0.000 0.429 62 F N 0.981 120.947 119.950 0.027 0.000 2.120 62 F HA -0.233 4.295 4.527 0.002 0.000 0.300 62 F C 2.672 178.514 175.800 0.070 0.000 1.095 62 F CA 1.721 59.755 58.000 0.056 0.000 1.249 62 F CB -0.693 38.355 39.000 0.080 0.000 0.995 62 F HN 0.044 nan 8.300 nan 0.000 0.480 63 T N -0.870 113.852 114.554 0.279 0.000 2.708 63 T HA -0.198 4.154 4.350 0.003 0.000 0.266 63 T C 2.294 177.069 174.700 0.126 0.000 1.037 63 T CA 1.669 63.895 62.100 0.209 0.000 1.146 63 T CB -0.685 68.343 68.868 0.267 0.000 0.865 63 T HN 0.408 nan 8.240 nan 0.000 0.435 64 S N 1.975 117.728 115.700 0.089 0.000 2.400 64 S HA -0.038 4.434 4.470 0.003 0.000 0.232 64 S C 1.863 176.480 174.600 0.030 0.000 1.025 64 S CA 0.968 59.196 58.200 0.046 0.000 0.993 64 S CB -0.800 62.413 63.200 0.022 0.000 0.808 64 S HN 0.496 nan 8.310 nan 0.000 0.478 65 L N 1.079 122.308 121.223 0.010 0.000 2.591 65 L HA 0.330 4.671 4.340 0.003 0.000 0.228 65 L C 1.816 178.690 176.870 0.006 0.000 1.133 65 L CA 0.253 55.080 54.840 -0.022 0.000 0.880 65 L CB -0.811 41.186 42.059 -0.104 0.000 1.033 65 L HN 0.576 nan 8.230 nan 0.000 0.450 66 G N 0.984 109.814 108.800 0.050 0.000 2.179 66 G HA2 -0.300 3.662 3.960 0.003 0.000 0.257 66 G HA3 -0.300 3.662 3.960 0.003 0.000 0.257 66 G C 0.234 175.184 174.900 0.083 0.000 1.010 66 G CA -0.078 45.065 45.100 0.070 0.000 0.736 66 G HN 0.313 nan 8.290 nan 0.000 0.513 67 L N 0.477 121.760 121.223 0.101 0.000 2.387 67 L HA 0.544 4.885 4.340 0.003 0.000 0.267 67 L C 0.556 177.586 176.870 0.267 0.000 1.197 67 L CA -0.128 54.807 54.840 0.158 0.000 1.070 67 L CB 0.083 42.195 42.059 0.088 0.000 1.349 67 L HN 0.126 nan 8.230 nan 0.000 0.422 68 L N 2.788 124.122 121.223 0.185 0.000 2.371 68 L HA 0.634 4.976 4.340 0.003 0.000 0.262 68 L C -1.639 175.311 176.870 0.134 0.000 1.006 68 L CA -1.858 53.080 54.840 0.164 0.000 0.818 68 L CB 1.675 43.797 42.059 0.107 0.000 1.354 68 L HN 0.332 nan 8.230 nan 0.000 0.415 74 Q N 4.500 123.823 119.800 -0.795 0.000 2.347 74 Q HA 0.252 4.594 4.340 0.003 0.000 0.262 74 Q C -1.231 174.362 176.000 -0.678 0.000 0.980 74 Q CA -0.672 54.818 55.803 -0.521 0.000 0.867 74 Q CB 1.698 30.230 28.738 -0.344 0.000 1.242 74 Q HN 0.508 nan 8.270 nan 0.000 0.453 75 D N 1.836 122.124 120.400 -0.186 0.000 2.412 75 D HA -0.030 4.611 4.640 0.003 0.000 0.257 75 D C 0.546 176.828 176.300 -0.031 0.000 1.217 75 D CA 0.448 54.473 54.000 0.041 0.000 0.897 75 D CB 0.702 41.594 40.800 0.154 0.000 1.132 75 D HN 0.376 nan 8.370 nan 0.000 0.493 76 S N 2.031 117.731 115.700 0.001 0.000 2.603 76 S HA 0.036 4.508 4.470 0.003 0.000 0.268 76 S C 0.905 175.535 174.600 0.050 0.000 1.317 76 S CA -0.616 57.589 58.200 0.008 0.000 1.012 76 S CB 1.101 64.318 63.200 0.029 0.000 0.926 76 S HN 0.178 nan 8.310 nan 0.000 0.539 77 D N 2.366 122.788 120.400 0.035 0.000 2.221 77 D HA -0.118 4.524 4.640 0.003 0.000 0.204 77 D C 1.755 178.092 176.300 0.060 0.000 0.982 77 D CA 1.455 55.482 54.000 0.045 0.000 0.857 77 D CB -0.274 40.545 40.800 0.032 0.000 0.934 77 D HN 0.621 nan 8.370 nan 0.000 0.475 78 M N -0.362 119.278 119.600 0.066 0.000 2.202 78 M HA -0.122 4.359 4.480 0.003 0.000 0.262 78 M C 1.756 178.105 176.300 0.082 0.000 1.063 78 M CA 1.006 56.351 55.300 0.075 0.000 1.097 78 M CB -0.076 32.574 32.600 0.083 0.000 1.382 78 M HN 0.057 nan 8.290 nan 0.000 0.413 79 L N -0.784 120.500 121.223 0.102 0.000 2.509 79 L HA 0.046 4.387 4.340 0.003 0.000 0.222 79 L C 1.106 178.045 176.870 0.115 0.000 1.123 79 L CA -0.102 54.806 54.840 0.114 0.000 0.856 79 L CB -0.341 41.814 42.059 0.160 0.000 0.985 79 L HN 0.272 nan 8.230 nan 0.000 0.456 80 E N 1.165 121.428 120.200 0.106 0.000 2.384 80 E HA 0.205 4.557 4.350 0.003 0.000 0.266 80 E C -1.175 175.486 176.600 0.101 0.000 1.012 80 E CA -0.104 56.366 56.400 0.116 0.000 0.901 80 E CB 1.000 30.757 29.700 0.094 0.000 0.967 80 E HN -0.132 nan 8.360 nan 0.000 0.435 81 V N 5.103 125.097 119.914 0.134 0.000 2.638 81 V HA 0.356 4.478 4.120 0.003 0.000 0.306 81 V C -0.335 175.859 176.094 0.167 0.000 1.052 81 V CA -0.801 61.553 62.300 0.090 0.000 0.885 81 V CB 1.846 33.666 31.823 -0.005 0.000 0.999 81 V HN 0.664 nan 8.190 nan 0.000 0.424 82 R N 3.474 124.041 120.500 0.111 0.000 2.246 82 R HA 0.795 5.137 4.340 0.003 0.000 0.332 82 R C -1.055 175.301 176.300 0.094 0.000 0.974 82 R CA -0.227 55.957 56.100 0.139 0.000 0.837 82 R CB 1.340 31.688 30.300 0.080 0.000 1.145 82 R HN 0.745 nan 8.270 nan 0.000 0.467 83 V N 1.202 121.211 119.914 0.159 0.000 3.232 83 V HA 0.418 4.540 4.120 0.003 0.000 0.303 83 V C 0.377 176.581 176.094 0.183 0.000 1.311 83 V CA -1.203 61.136 62.300 0.064 0.000 1.061 83 V CB 1.809 33.560 31.823 -0.120 0.000 1.085 83 V HN 0.857 nan 8.190 nan 0.000 0.447 84 L N 0.858 122.133 121.223 0.087 0.000 4.001 84 L HA -0.176 4.166 4.340 0.003 0.000 0.413 84 L C 1.410 178.382 176.870 0.170 0.000 1.185 84 L CA 0.887 55.808 54.840 0.135 0.000 0.963 84 L CB -1.656 40.502 42.059 0.165 0.000 1.976 84 L HN 2.059 nan 8.230 nan 0.000 0.939 85 G N -1.065 107.756 108.800 0.035 0.000 2.147 85 G HA2 -0.259 3.702 3.960 0.003 0.000 0.244 85 G HA3 -0.259 3.702 3.960 0.003 0.000 0.244 85 G C 0.070 174.680 174.900 -0.484 0.000 1.005 85 G CA 0.483 45.477 45.100 -0.176 0.000 0.713 85 G HN 0.654 nan 8.290 nan 0.000 0.515 86 H N -1.121 117.996 119.070 0.077 0.000 3.012 86 H HA 0.397 4.954 4.556 0.003 0.000 0.367 86 H C -0.171 175.179 175.328 0.036 0.000 1.211 86 H CA -0.690 55.346 56.048 -0.020 0.000 1.139 86 H CB 1.757 31.392 29.762 -0.211 0.000 1.838 86 H HN 0.267 nan 8.280 nan 0.000 0.550 87 K N 1.897 122.337 120.400 0.066 0.000 2.298 87 K HA 0.281 4.603 4.320 0.003 0.000 0.280 87 K C -1.272 175.289 176.600 -0.065 0.000 1.032 87 K CA -0.158 56.176 56.287 0.078 0.000 0.958 87 K CB 0.403 32.924 32.500 0.035 0.000 0.978 87 K HN 0.222 nan 8.250 nan 0.000 0.472 88 F N 4.063 124.045 119.950 0.053 0.000 2.477 88 F HA 0.324 4.852 4.527 0.002 0.000 0.335 88 F C 1.221 177.075 175.800 0.091 0.000 1.130 88 F CA -0.842 57.201 58.000 0.073 0.000 0.948 88 F CB 1.719 40.730 39.000 0.019 0.000 1.154 88 F HN 0.601 nan 8.300 nan 0.000 0.439 89 R N 1.049 121.680 120.500 0.220 0.000 2.189 89 R HA 0.018 4.359 4.340 0.003 0.000 0.218 89 R C -0.455 175.969 176.300 0.207 0.000 1.074 89 R CA 0.989 57.192 56.100 0.172 0.000 0.991 89 R CB -0.440 29.926 30.300 0.110 0.000 0.883 89 R HN 0.696 nan 8.270 nan 0.000 0.457 90 N N -0.727 118.140 118.700 0.277 0.000 2.525 90 N HA 0.263 5.004 4.740 0.003 0.000 0.270 90 N C -2.755 172.951 175.510 0.327 0.000 1.321 90 N CA -2.007 51.198 53.050 0.257 0.000 0.797 90 N CB 2.188 40.812 38.487 0.228 0.000 1.529 90 N HN -0.310 nan 8.380 nan 0.000 0.491 91 P HA 0.144 nan 4.420 nan 0.000 0.261 91 P C -0.763 176.760 177.300 0.372 0.000 1.352 91 P CA 0.072 63.313 63.100 0.235 0.000 0.891 91 P CB 0.264 32.015 31.700 0.084 0.000 1.383 92 V N 0.619 120.739 119.914 0.344 0.000 2.311 92 V HA 0.596 4.718 4.120 0.003 0.000 0.275 92 V C 0.922 177.142 176.094 0.209 0.000 1.022 92 V CA -0.437 62.013 62.300 0.249 0.000 0.830 92 V CB 1.066 32.964 31.823 0.126 0.000 1.012 92 V HN 0.101 nan 8.190 nan 0.000 0.452 93 G N 3.455 112.119 108.800 -0.227 0.000 2.471 93 G HA2 0.655 4.616 3.960 0.003 0.000 0.332 93 G HA3 0.655 4.616 3.960 0.003 0.000 0.332 93 G C -0.982 173.467 174.900 -0.752 0.000 1.176 93 G CA -0.788 43.680 45.100 -1.053 0.000 0.949 93 G HN 0.597 nan 8.290 nan 0.000 0.488 94 I N 1.408 121.217 120.570 -1.269 0.000 2.371 94 I HA 0.567 4.739 4.170 0.003 0.000 0.290 94 I C 0.852 176.597 176.117 -0.619 0.000 1.028 94 I CA -0.450 60.070 61.300 -1.300 0.000 1.345 94 I CB 0.678 37.647 38.000 -1.719 0.000 1.407 94 I HN 0.631 nan 8.210 nan 0.000 0.501 95 A N 6.464 129.072 122.820 -0.353 0.000 2.386 95 A HA 0.678 5.000 4.320 0.003 0.000 0.248 95 A C 0.536 178.046 177.584 -0.123 0.000 1.082 95 A CA -0.055 51.907 52.037 -0.124 0.000 0.789 95 A CB -0.147 18.878 19.000 0.042 0.000 1.025 95 A HN 1.144 nan 8.150 nan 0.000 0.490 96 A N -0.004 122.801 122.820 -0.024 0.000 2.547 96 A HA 0.469 4.791 4.320 0.003 0.000 0.233 96 A C 1.619 179.206 177.584 0.005 0.000 1.067 96 A CA 1.019 53.043 52.037 -0.022 0.000 0.763 96 A CB -0.558 18.468 19.000 0.043 0.000 1.007 96 A HN 2.743 nan 8.150 nan 0.000 0.506 97 G N 0.017 108.775 108.800 -0.070 0.000 2.313 97 G HA2 -0.289 3.673 3.960 0.003 0.000 0.215 97 G HA3 -0.289 3.673 3.960 0.003 0.000 0.215 97 G C 0.928 175.684 174.900 -0.239 0.000 1.023 97 G CA 0.920 45.995 45.100 -0.043 0.000 0.626 97 G HN 1.319 nan 8.290 nan 0.000 0.503 98 F N 2.132 121.670 119.950 -0.686 0.000 2.098 98 F HA 0.306 4.836 4.527 0.004 0.000 0.294 98 F C 1.030 176.681 175.800 -0.249 0.000 1.107 98 F CA 1.778 59.336 58.000 -0.738 0.000 1.234 98 F CB 0.309 38.711 39.000 -0.998 0.000 1.002 98 F HN 0.098 nan 8.300 nan 0.000 0.472 99 D N 0.338 120.588 120.400 -0.249 0.000 2.514 99 D HA 0.151 4.792 4.640 0.003 0.000 0.267 99 D C 0.738 176.833 176.300 -0.342 0.000 1.165 99 D CA -0.048 53.778 54.000 -0.291 0.000 0.958 99 D CB 0.383 41.108 40.800 -0.124 0.000 0.992 99 D HN 0.176 nan 8.370 nan 0.000 0.506 100 K N 0.210 120.287 120.400 -0.537 0.000 2.148 100 K HA -0.080 4.242 4.320 0.003 0.000 0.204 100 K C 0.698 176.927 176.600 -0.619 0.000 1.050 100 K CA 0.898 56.797 56.287 -0.646 0.000 0.942 100 K CB 0.218 32.173 32.500 -0.907 0.000 0.724 100 K HN 0.493 nan 8.250 nan 0.000 0.446 101 H N -1.269 117.642 119.070 -0.264 0.000 2.592 101 H HA 0.199 4.757 4.556 0.003 0.000 0.279 101 H C 0.729 175.976 175.328 -0.135 0.000 1.089 101 H CA 0.434 56.322 56.048 -0.265 0.000 1.150 101 H CB 0.825 30.239 29.762 -0.581 0.000 1.575 101 H HN 0.319 nan 8.280 nan 0.000 0.547 102 G N 2.077 110.830 108.800 -0.078 0.000 2.246 102 G HA2 -0.316 3.646 3.960 0.003 0.000 0.273 102 G HA3 -0.316 3.646 3.960 0.003 0.000 0.273 102 G C 0.645 175.536 174.900 -0.013 0.000 1.055 102 G CA 0.561 45.632 45.100 -0.049 0.000 0.851 102 G HN 0.521 nan 8.290 nan 0.000 0.500 103 E N -0.766 119.421 120.200 -0.021 0.000 2.447 103 E HA 0.402 4.753 4.350 0.003 0.000 0.195 103 E C 1.951 178.549 176.600 -0.004 0.000 1.028 103 E CA 0.620 57.022 56.400 0.004 0.000 0.876 103 E CB 0.380 30.087 29.700 0.013 0.000 0.885 103 E HN 0.773 nan 8.360 nan 0.000 0.500 104 A N 0.452 123.261 122.820 -0.018 0.000 2.605 104 A HA 0.233 4.555 4.320 0.003 0.000 0.292 104 A C 1.513 179.089 177.584 -0.013 0.000 1.055 104 A CA -0.247 51.798 52.037 0.013 0.000 0.969 104 A CB 0.139 19.177 19.000 0.063 0.000 1.236 104 A HN 0.027 nan 8.150 nan 0.000 0.534 105 V N 0.445 120.331 119.914 -0.048 0.000 2.255 105 V HA -0.261 3.861 4.120 0.003 0.000 0.247 105 V C 2.178 178.202 176.094 -0.118 0.000 1.051 105 V CA 2.523 64.742 62.300 -0.135 0.000 1.018 105 V CB -0.501 31.280 31.823 -0.069 0.000 0.641 105 V HN 0.571 nan 8.190 nan 0.000 0.445 106 D N 0.530 120.962 120.400 0.054 0.000 2.144 106 D HA -0.128 4.514 4.640 0.003 0.000 0.199 106 D C 2.190 178.567 176.300 0.128 0.000 0.984 106 D CA 1.719 55.817 54.000 0.163 0.000 0.834 106 D CB -0.400 40.481 40.800 0.136 0.000 0.955 106 D HN 0.519 nan 8.370 nan 0.000 0.465 107 G N 1.085 109.932 108.800 0.078 0.000 2.422 107 G HA2 -0.195 3.767 3.960 0.003 0.000 0.218 107 G HA3 -0.195 3.767 3.960 0.003 0.000 0.218 107 G C 1.849 176.802 174.900 0.089 0.000 1.146 107 G CA 0.228 45.381 45.100 0.090 0.000 0.769 107 G HN 0.220 nan 8.290 nan 0.000 0.547 108 L N -1.058 120.181 121.223 0.027 0.000 2.093 108 L HA -0.018 4.324 4.340 0.003 0.000 0.208 108 L C 2.652 179.589 176.870 0.112 0.000 1.085 108 L CA 0.827 55.690 54.840 0.039 0.000 0.755 108 L CB -0.423 41.538 42.059 -0.163 0.000 0.904 108 L HN 0.251 nan 8.230 nan 0.000 0.435 109 Y N -0.092 120.292 120.300 0.140 0.000 2.181 109 Y HA -0.289 4.263 4.550 0.002 0.000 0.288 109 Y C 2.732 178.686 175.900 0.091 0.000 1.146 109 Y CA 1.176 59.351 58.100 0.126 0.000 1.164 109 Y CB -0.180 38.332 38.460 0.087 0.000 0.982 109 Y HN 0.078 nan 8.280 nan 0.000 0.515 110 K N 0.541 121.073 120.400 0.220 0.000 2.103 110 K HA -0.241 4.080 4.320 0.003 0.000 0.207 110 K C 2.124 178.772 176.600 0.080 0.000 1.048 110 K CA 1.451 57.817 56.287 0.132 0.000 0.930 110 K CB -0.241 32.325 32.500 0.109 0.000 0.716 110 K HN 0.304 nan 8.250 nan 0.000 0.444 111 M N -0.947 118.692 119.600 0.065 0.000 2.460 111 M HA -0.077 4.404 4.480 0.003 0.000 0.263 111 M C 0.677 176.870 176.300 -0.177 0.000 1.071 111 M CA 1.657 56.929 55.300 -0.047 0.000 1.096 111 M CB 0.308 32.889 32.600 -0.032 0.000 1.408 111 M HN 0.508 nan 8.290 nan 0.000 0.463 112 G N -0.571 108.183 108.800 -0.077 0.000 2.192 112 G HA2 -0.196 3.766 3.960 0.003 0.000 0.193 112 G HA3 -0.196 3.766 3.960 0.003 0.000 0.193 112 G C -0.115 174.739 174.900 -0.076 0.000 0.999 112 G CA -0.658 44.399 45.100 -0.072 0.000 0.659 112 G HN 0.381 nan 8.290 nan 0.000 0.503 113 F N 1.293 121.270 119.950 0.046 0.000 2.538 113 F HA 0.421 4.951 4.527 0.005 0.000 0.371 113 F C 1.889 177.812 175.800 0.205 0.000 1.087 113 F CA 0.887 58.906 58.000 0.031 0.000 1.250 113 F CB 1.298 40.226 39.000 -0.121 0.000 1.110 113 F HN 0.024 nan 8.300 nan 0.000 0.570 114 G N 3.635 112.704 108.800 0.448 0.000 2.534 114 G HA2 0.017 3.979 3.960 0.003 0.000 0.217 114 G HA3 0.017 3.979 3.960 0.003 0.000 0.217 114 G C -0.204 175.145 174.900 0.747 0.000 1.128 114 G CA 0.310 45.732 45.100 0.537 0.000 0.784 114 G HN 0.619 nan 8.290 nan 0.000 0.542 115 F N -2.826 117.406 119.950 0.469 0.000 2.703 115 F HA 0.672 5.200 4.527 0.002 0.000 0.308 115 F C -1.492 174.431 175.800 0.205 0.000 1.126 115 F CA -1.616 56.655 58.000 0.452 0.000 0.959 115 F CB 1.352 40.703 39.000 0.586 0.000 1.297 115 F HN -0.168 nan 8.300 nan 0.000 0.441 116 V N 1.635 121.605 119.914 0.094 0.000 2.540 116 V HA 0.469 4.591 4.120 0.003 0.000 0.302 116 V C -0.865 175.159 176.094 -0.116 0.000 1.035 116 V CA -0.575 61.559 62.300 -0.276 0.000 0.873 116 V CB 1.702 33.199 31.823 -0.545 0.000 0.992 116 V HN 0.882 nan 8.190 nan 0.000 0.428 117 E N 4.492 124.587 120.200 -0.176 0.000 2.158 117 E HA 0.618 4.970 4.350 0.003 0.000 0.271 117 E C -0.801 175.708 176.600 -0.152 0.000 0.911 117 E CA -0.622 55.718 56.400 -0.100 0.000 0.767 117 E CB 1.631 31.370 29.700 0.065 0.000 1.120 117 E HN 0.743 nan 8.360 nan 0.000 0.405 118 I N 1.069 121.551 120.570 -0.147 0.000 2.924 118 I HA 0.919 5.091 4.170 0.003 0.000 0.316 118 I C 0.530 176.570 176.117 -0.129 0.000 1.014 118 I CA -0.210 61.001 61.300 -0.148 0.000 1.106 118 I CB 1.661 39.578 38.000 -0.138 0.000 1.311 118 I HN 0.741 nan 8.210 nan 0.000 0.502 119 G N 2.054 110.758 108.800 -0.161 0.000 2.549 119 G HA2 -0.103 3.859 3.960 0.003 0.000 0.404 119 G HA3 -0.103 3.859 3.960 0.003 0.000 0.404 119 G C -0.672 174.151 174.900 -0.128 0.000 1.292 119 G CA -0.400 44.611 45.100 -0.148 0.000 0.935 119 G HN 0.877 nan 8.290 nan 0.000 0.512 120 S N -0.914 114.738 115.700 -0.079 0.000 2.564 120 S HA 0.487 4.959 4.470 0.003 0.000 0.278 120 S C 0.547 175.008 174.600 -0.233 0.000 1.333 120 S CA -0.137 57.961 58.200 -0.170 0.000 1.048 120 S CB 1.355 64.359 63.200 -0.327 0.000 0.900 120 S HN 1.180 nan 8.310 nan 0.000 0.505 121 V N 3.404 123.189 119.914 -0.215 0.000 2.435 121 V HA 0.509 4.631 4.120 0.003 0.000 0.290 121 V C 0.580 176.541 176.094 -0.221 0.000 1.030 121 V CA -0.878 61.325 62.300 -0.162 0.000 0.881 121 V CB 1.401 33.169 31.823 -0.091 0.000 0.983 121 V HN 1.009 nan 8.190 nan 0.000 0.445 122 T N 2.297 116.742 114.554 -0.182 0.000 2.943 122 T HA 0.470 4.822 4.350 0.003 0.000 0.284 122 T C -2.034 172.601 174.700 -0.108 0.000 1.015 122 T CA -2.099 59.886 62.100 -0.191 0.000 1.042 122 T CB 2.141 70.922 68.868 -0.145 0.000 1.055 122 T HN 0.340 nan 8.240 nan 0.000 0.500 123 P HA -0.055 nan 4.420 nan 0.000 0.213 123 P C 0.159 177.438 177.300 -0.036 0.000 1.170 123 P CA 1.315 64.373 63.100 -0.070 0.000 0.902 123 P CB 0.145 31.799 31.700 -0.077 0.000 0.789 124 K N -1.042 119.341 120.400 -0.028 0.000 2.098 124 K HA 0.393 4.715 4.320 0.003 0.000 0.258 124 K C -2.461 174.142 176.600 0.006 0.000 0.973 124 K CA -3.076 53.207 56.287 -0.008 0.000 0.898 124 K CB -0.815 31.682 32.500 -0.005 0.000 1.057 124 K HN -0.123 nan 8.250 nan 0.000 0.447 125 P HA 0.012 nan 4.420 nan 0.000 0.267 125 P C -0.805 176.518 177.300 0.038 0.000 1.200 125 P CA 0.094 63.214 63.100 0.032 0.000 0.772 125 P CB 0.380 32.088 31.700 0.013 0.000 0.855 126 Q N -0.099 119.738 119.800 0.063 0.000 2.435 126 Q HA 0.372 4.714 4.340 0.003 0.000 0.282 126 Q C -0.187 175.869 176.000 0.093 0.000 1.020 126 Q CA -0.738 55.107 55.803 0.070 0.000 0.820 126 Q CB 1.431 30.215 28.738 0.076 0.000 1.436 126 Q HN 0.244 nan 8.270 nan 0.000 0.395 127 E N 0.789 121.039 120.200 0.084 0.000 2.299 127 E HA 0.141 4.493 4.350 0.003 0.000 0.193 127 E C 0.640 177.314 176.600 0.123 0.000 0.998 127 E CA 0.831 57.286 56.400 0.092 0.000 0.851 127 E CB 0.195 29.934 29.700 0.064 0.000 0.795 127 E HN 0.855 nan 8.360 nan 0.000 0.492 128 G N 1.487 110.362 108.800 0.125 0.000 2.693 128 G HA2 -0.231 3.731 3.960 0.003 0.000 0.226 128 G HA3 -0.231 3.731 3.960 0.003 0.000 0.226 128 G C -0.390 174.565 174.900 0.091 0.000 1.354 128 G CA -0.435 44.748 45.100 0.139 0.000 0.873 128 G HN 0.138 nan 8.290 nan 0.000 0.562 129 N N 1.900 120.644 118.700 0.072 0.000 2.424 129 N HA 0.492 5.234 4.740 0.003 0.000 0.257 129 N C -1.885 173.632 175.510 0.012 0.000 1.250 129 N CA -0.535 52.532 53.050 0.028 0.000 0.946 129 N CB 0.268 38.756 38.487 0.002 0.000 1.175 129 N HN 0.502 nan 8.380 nan 0.000 0.477 130 P HA 0.130 nan 4.420 nan 0.000 0.270 130 P C -0.360 176.921 177.300 -0.032 0.000 1.223 130 P CA 0.090 63.189 63.100 -0.003 0.000 0.785 130 P CB 0.886 32.589 31.700 0.004 0.000 0.923 131 R N 1.529 122.007 120.500 -0.037 0.000 2.457 131 R HA 0.457 4.799 4.340 0.003 0.000 0.284 131 R C -1.562 174.713 176.300 -0.041 0.000 1.024 131 R CA -1.531 54.523 56.100 -0.076 0.000 1.025 131 R CB -0.134 30.126 30.300 -0.067 0.000 1.063 131 R HN 0.506 nan 8.270 nan 0.000 0.493 132 P HA 0.149 nan 4.420 nan 0.000 0.275 132 P C -0.563 176.580 177.300 -0.262 0.000 1.227 132 P CA -0.336 62.647 63.100 -0.195 0.000 0.781 132 P CB 0.859 32.474 31.700 -0.140 0.000 0.906 133 R N 0.100 120.264 120.500 -0.560 0.000 2.519 133 R HA 0.425 4.767 4.340 0.003 0.000 0.375 133 R C -0.689 175.129 176.300 -0.804 0.000 0.926 133 R CA -0.376 55.409 56.100 -0.525 0.000 1.166 133 R CB 0.231 30.256 30.300 -0.457 0.000 1.626 133 R HN 0.205 nan 8.270 nan 0.000 0.529 134 V N 0.947 120.178 119.914 -1.140 0.000 2.932 134 V HA 0.605 4.726 4.120 0.003 0.000 0.307 134 V C -1.421 174.015 176.094 -1.096 0.000 1.147 134 V CA -0.806 60.980 62.300 -0.856 0.000 0.951 134 V CB 1.986 33.499 31.823 -0.517 0.000 1.031 134 V HN 0.105 nan 8.190 nan 0.000 0.426 135 F N 1.467 121.346 119.950 -0.119 0.000 2.588 135 F HA 0.656 5.185 4.527 0.003 0.000 0.314 135 F C 0.153 175.913 175.800 -0.067 0.000 1.134 135 F CA -0.739 57.212 58.000 -0.081 0.000 0.961 135 F CB 2.077 41.037 39.000 -0.067 0.000 1.239 135 F HN 0.278 nan 8.300 nan 0.000 0.448 136 R N 2.468 123.028 120.500 0.099 0.000 2.428 136 R HA 0.678 5.020 4.340 0.003 0.000 0.294 136 R C -1.308 175.089 176.300 0.162 0.000 1.000 136 R CA -0.962 55.195 56.100 0.095 0.000 0.960 136 R CB 1.184 31.488 30.300 0.007 0.000 1.076 136 R HN 0.419 nan 8.270 nan 0.000 0.475 137 L N 4.897 126.244 121.223 0.208 0.000 2.506 137 L HA 0.277 4.618 4.340 0.003 0.000 0.247 137 L C -1.688 175.231 176.870 0.082 0.000 1.141 137 L CA -1.616 53.292 54.840 0.114 0.000 0.973 137 L CB 1.361 43.457 42.059 0.061 0.000 1.319 137 L HN 0.466 nan 8.230 nan 0.000 0.455 138 P HA -0.157 nan 4.420 nan 0.000 0.218 138 P C 0.879 178.071 177.300 -0.179 0.000 1.149 138 P CA 1.176 64.249 63.100 -0.044 0.000 0.817 138 P CB 0.538 32.281 31.700 0.071 0.000 0.785 139 E N -0.200 119.950 120.200 -0.084 0.000 2.265 139 E HA -0.122 4.230 4.350 0.003 0.000 0.196 139 E C 1.225 177.765 176.600 -0.099 0.000 0.996 139 E CA 0.989 57.343 56.400 -0.077 0.000 0.832 139 E CB -0.469 29.207 29.700 -0.040 0.000 0.756 139 E HN 0.369 nan 8.360 nan 0.000 0.491 140 D N -0.327 120.002 120.400 -0.119 0.000 2.398 140 D HA 0.020 4.661 4.640 0.003 0.000 0.210 140 D C -0.247 175.944 176.300 -0.182 0.000 1.094 140 D CA 0.057 53.993 54.000 -0.106 0.000 0.839 140 D CB 0.416 41.184 40.800 -0.054 0.000 0.963 140 D HN 0.054 nan 8.370 nan 0.000 0.506 141 Q N -0.089 119.464 119.800 -0.413 0.000 2.451 141 Q HA -0.179 4.163 4.340 0.003 0.000 0.305 141 Q C -0.431 175.390 176.000 -0.299 0.000 1.345 141 Q CA 0.551 55.869 55.803 -0.808 0.000 0.854 141 Q CB -1.338 27.120 28.738 -0.467 0.000 1.162 141 Q HN 0.357 nan 8.270 nan 0.000 0.440 142 A N -0.632 122.178 122.820 -0.017 0.000 2.527 142 A HA 0.901 5.223 4.320 0.003 0.000 0.293 142 A C -0.762 176.973 177.584 0.252 0.000 1.117 142 A CA -0.517 51.611 52.037 0.152 0.000 0.723 142 A CB 2.087 21.114 19.000 0.046 0.000 1.313 142 A HN 0.109 nan 8.150 nan 0.000 0.411 143 V N 0.928 120.909 119.914 0.112 0.000 2.876 143 V HA 0.537 4.659 4.120 0.003 0.000 0.312 143 V C -0.801 175.311 176.094 0.030 0.000 1.085 143 V CA -0.313 62.007 62.300 0.034 0.000 0.945 143 V CB 1.885 33.639 31.823 -0.114 0.000 1.017 143 V HN 0.734 nan 8.190 nan 0.000 0.428 144 I N 3.785 124.401 120.570 0.077 0.000 2.433 144 I HA 0.504 4.675 4.170 0.003 0.000 0.292 144 I C -0.610 175.578 176.117 0.117 0.000 1.001 144 I CA -0.423 60.935 61.300 0.096 0.000 1.119 144 I CB 2.034 40.102 38.000 0.113 0.000 1.289 144 I HN 0.900 nan 8.210 nan 0.000 0.438 145 N N 4.623 123.352 118.700 0.048 0.000 2.229 145 N HA 0.632 5.374 4.740 0.003 0.000 0.298 145 N C -0.814 174.699 175.510 0.004 0.000 1.114 145 N CA -1.065 51.978 53.050 -0.011 0.000 0.776 145 N CB 1.606 40.106 38.487 0.022 0.000 1.501 145 N HN 0.591 nan 8.380 nan 0.000 0.474 146 R N 0.881 121.343 120.500 -0.064 0.000 2.718 146 R HA 0.256 4.597 4.340 0.003 0.000 0.307 146 R C -0.568 175.694 176.300 -0.065 0.000 1.244 146 R CA -0.646 55.433 56.100 -0.035 0.000 1.348 146 R CB -0.886 29.414 30.300 0.000 0.000 1.304 146 R HN 0.510 nan 8.270 nan 0.000 0.663 147 Y N 1.644 121.917 120.300 -0.045 0.000 2.165 147 Y HA -0.128 4.424 4.550 0.003 0.000 0.286 147 Y C 1.959 177.851 175.900 -0.013 0.000 1.155 147 Y CA 2.140 60.225 58.100 -0.026 0.000 1.164 147 Y CB 0.102 38.556 38.460 -0.011 0.000 0.978 147 Y HN 0.707 nan 8.280 nan 0.000 0.513 148 G N -0.767 108.089 108.800 0.093 0.000 2.212 148 G HA2 -0.318 3.644 3.960 0.003 0.000 0.255 148 G HA3 -0.318 3.644 3.960 0.003 0.000 0.255 148 G C 0.186 175.160 174.900 0.124 0.000 1.062 148 G CA -0.074 45.025 45.100 -0.001 0.000 0.815 148 G HN 0.533 nan 8.290 nan 0.000 0.497 149 F N -1.199 118.810 119.950 0.098 0.000 3.039 149 F HA -0.255 4.273 4.527 0.003 0.000 0.287 149 F C 1.207 177.048 175.800 0.069 0.000 0.956 149 F CA 0.247 58.281 58.000 0.057 0.000 0.971 149 F CB -1.528 37.497 39.000 0.041 0.000 0.943 149 F HN 0.722 nan 8.300 nan 0.000 0.766 150 N N 1.487 120.347 118.700 0.267 0.000 2.411 150 N HA 0.164 4.906 4.740 0.003 0.000 0.265 150 N C -0.315 175.336 175.510 0.236 0.000 1.266 150 N CA 0.635 53.819 53.050 0.223 0.000 0.889 150 N CB 1.876 40.503 38.487 0.234 0.000 1.069 150 N HN 0.285 nan 8.380 nan 0.000 0.476 151 S N 1.151 116.981 115.700 0.217 0.000 2.543 151 S HA 0.211 4.682 4.470 0.003 0.000 0.271 151 S C 0.141 174.838 174.600 0.162 0.000 1.148 151 S CA -0.759 57.570 58.200 0.214 0.000 0.914 151 S CB 0.638 63.891 63.200 0.088 0.000 1.096 151 S HN 0.639 nan 8.310 nan 0.000 0.471 152 H N 2.618 121.668 119.070 -0.033 0.000 2.545 152 H HA 0.247 4.805 4.556 0.003 0.000 0.282 152 H C 1.363 176.669 175.328 -0.036 0.000 1.020 152 H CA 0.305 56.276 56.048 -0.127 0.000 1.243 152 H CB 0.174 29.813 29.762 -0.205 0.000 1.377 152 H HN 1.023 nan 8.280 nan 0.000 0.581 153 G N -0.133 108.735 108.800 0.114 0.000 2.730 153 G HA2 -0.234 3.728 3.960 0.003 0.000 0.686 153 G HA3 -0.234 3.728 3.960 0.003 0.000 0.686 153 G C 0.423 175.345 174.900 0.037 0.000 1.343 153 G CA -0.305 44.823 45.100 0.048 0.000 0.826 153 G HN 0.181 nan 8.290 nan 0.000 0.582 154 L N 0.523 121.747 121.223 0.002 0.000 2.012 154 L HA -0.118 4.224 4.340 0.003 0.000 0.210 154 L C 3.200 180.070 176.870 -0.000 0.000 1.073 154 L CA 2.417 57.250 54.840 -0.011 0.000 0.748 154 L CB -0.663 41.378 42.059 -0.030 0.000 0.891 154 L HN 0.763 nan 8.230 nan 0.000 0.431 155 S N -0.475 115.239 115.700 0.024 0.000 2.356 155 S HA -0.151 4.321 4.470 0.003 0.000 0.223 155 S C 1.983 176.672 174.600 0.149 0.000 1.032 155 S CA 1.375 59.615 58.200 0.067 0.000 1.005 155 S CB -0.162 63.100 63.200 0.104 0.000 0.867 155 S HN 0.176 nan 8.310 nan 0.000 0.449 156 V N 1.493 121.478 119.914 0.117 0.000 2.295 156 V HA -0.131 3.991 4.120 0.003 0.000 0.246 156 V C 2.509 178.674 176.094 0.117 0.000 1.049 156 V CA 1.914 64.288 62.300 0.123 0.000 1.024 156 V CB -0.703 31.165 31.823 0.074 0.000 0.648 156 V HN 0.447 nan 8.190 nan 0.000 0.447 157 V N -0.136 119.828 119.914 0.083 0.000 2.427 157 V HA -0.257 3.865 4.120 0.003 0.000 0.248 157 V C 2.467 178.563 176.094 0.005 0.000 1.051 157 V CA 2.133 64.464 62.300 0.052 0.000 1.048 157 V CB -0.608 31.233 31.823 0.030 0.000 0.666 157 V HN 0.678 nan 8.190 nan 0.000 0.456 158 E N 0.101 120.273 120.200 -0.048 0.000 2.070 158 E HA -0.297 4.054 4.350 0.003 0.000 0.197 158 E C 2.115 178.607 176.600 -0.180 0.000 1.004 158 E CA 2.227 58.534 56.400 -0.154 0.000 0.805 158 E CB -0.166 29.370 29.700 -0.273 0.000 0.744 158 E HN 0.801 nan 8.360 nan 0.000 0.451 159 H N -0.575 118.497 119.070 0.003 0.000 2.395 159 H HA 0.017 4.575 4.556 0.003 0.000 0.299 159 H C 2.288 177.620 175.328 0.007 0.000 1.070 159 H CA 1.441 57.490 56.048 0.002 0.000 1.356 159 H CB -0.004 29.756 29.762 -0.004 0.000 1.401 159 H HN 0.055 nan 8.280 nan 0.000 0.524 160 R N 0.661 121.228 120.500 0.112 0.000 2.083 160 R HA -0.121 4.221 4.340 0.003 0.000 0.237 160 R C 1.890 178.217 176.300 0.044 0.000 1.137 160 R CA 1.353 57.496 56.100 0.072 0.000 0.951 160 R CB -0.229 30.113 30.300 0.070 0.000 0.851 160 R HN 0.290 nan 8.270 nan 0.000 0.434 161 L N -0.195 121.041 121.223 0.022 0.000 2.093 161 L HA -0.124 4.218 4.340 0.003 0.000 0.208 161 L C 2.617 179.497 176.870 0.016 0.000 1.085 161 L CA 1.239 56.086 54.840 0.012 0.000 0.755 161 L CB -0.409 41.646 42.059 -0.007 0.000 0.904 161 L HN 0.212 nan 8.230 nan 0.000 0.435 162 R N 0.167 120.671 120.500 0.007 0.000 2.127 162 R HA -0.139 4.203 4.340 0.003 0.000 0.238 162 R C 2.371 178.693 176.300 0.036 0.000 1.134 162 R CA 1.260 57.369 56.100 0.015 0.000 0.975 162 R CB -0.429 29.873 30.300 0.004 0.000 0.865 162 R HN 0.345 nan 8.270 nan 0.000 0.447 163 A N 1.656 124.504 122.820 0.046 0.000 2.070 163 A HA -0.169 4.153 4.320 0.003 0.000 0.220 163 A C 1.599 179.204 177.584 0.036 0.000 1.159 163 A CA 1.325 53.388 52.037 0.044 0.000 0.656 163 A CB -0.240 18.787 19.000 0.045 0.000 0.800 163 A HN 0.431 nan 8.150 nan 0.000 0.453 164 R N -1.236 119.286 120.500 0.036 0.000 2.629 164 R HA 0.316 4.658 4.340 0.003 0.000 0.408 164 R C 1.178 177.499 176.300 0.035 0.000 1.057 164 R CA 0.263 56.385 56.100 0.036 0.000 1.119 164 R CB -0.511 29.816 30.300 0.044 0.000 1.403 164 R HN 0.441 nan 8.270 nan 0.000 0.576 165 Q N 1.045 120.865 119.800 0.033 0.000 2.096 165 Q HA -0.168 4.174 4.340 0.003 0.000 0.204 165 Q C 1.310 177.328 176.000 0.029 0.000 0.982 165 Q CA 1.728 57.552 55.803 0.035 0.000 0.850 165 Q CB 0.228 28.992 28.738 0.043 0.000 0.901 165 Q HN 0.371 nan 8.270 nan 0.000 0.422 166 Q N 0.286 120.101 119.800 0.026 0.000 2.137 166 Q HA -0.106 4.236 4.340 0.003 0.000 0.198 166 Q C 1.797 177.802 176.000 0.007 0.000 0.960 166 Q CA 1.096 56.909 55.803 0.016 0.000 0.847 166 Q CB -0.222 28.526 28.738 0.016 0.000 0.915 166 Q HN 0.356 nan 8.270 nan 0.000 0.448 167 K N 0.803 121.211 120.400 0.013 0.000 2.044 167 K HA -0.268 4.054 4.320 0.003 0.000 0.210 167 K C 2.061 178.661 176.600 -0.000 0.000 1.049 167 K CA 1.726 58.019 56.287 0.009 0.000 0.927 167 K CB 0.126 32.641 32.500 0.024 0.000 0.713 167 K HN -0.027 nan 8.250 nan 0.000 0.443 168 Q N 0.467 120.276 119.800 0.013 0.000 2.084 168 Q HA -0.079 4.263 4.340 0.003 0.000 0.202 168 Q C 1.781 177.764 176.000 -0.029 0.000 0.978 168 Q CA 1.989 57.796 55.803 0.005 0.000 0.844 168 Q CB -0.421 28.337 28.738 0.033 0.000 0.898 168 Q HN 0.417 nan 8.270 nan 0.000 0.426 169 A N 0.689 123.498 122.820 -0.018 0.000 1.917 169 A HA -0.264 4.057 4.320 0.003 0.000 0.219 169 A C 1.991 179.551 177.584 -0.040 0.000 1.182 169 A CA 1.956 53.976 52.037 -0.028 0.000 0.633 169 A CB -0.521 18.468 19.000 -0.018 0.000 0.819 169 A HN 0.413 nan 8.150 nan 0.000 0.448 170 K N -0.656 119.720 120.400 -0.040 0.000 2.057 170 K HA 0.006 4.328 4.320 0.003 0.000 0.206 170 K C 1.936 178.487 176.600 -0.082 0.000 1.050 170 K CA 1.213 57.471 56.287 -0.048 0.000 0.935 170 K CB -0.374 32.104 32.500 -0.036 0.000 0.715 170 K HN 0.465 nan 8.250 nan 0.000 0.439 171 L N 0.771 121.926 121.223 -0.114 0.000 2.017 171 L HA -0.211 4.131 4.340 0.003 0.000 0.208 171 L C 2.499 179.241 176.870 -0.215 0.000 1.073 171 L CA 1.457 56.168 54.840 -0.215 0.000 0.745 171 L CB -0.796 41.069 42.059 -0.322 0.000 0.894 171 L HN 0.217 nan 8.230 nan 0.000 0.432 172 T N -1.051 113.405 114.554 -0.164 0.000 2.652 172 T HA -0.270 4.082 4.350 0.003 0.000 0.267 172 T C 1.768 176.413 174.700 -0.092 0.000 1.039 172 T CA 1.797 63.806 62.100 -0.152 0.000 1.153 172 T CB -0.225 68.571 68.868 -0.119 0.000 0.863 172 T HN 0.265 nan 8.240 nan 0.000 0.428 173 E N 1.415 121.580 120.200 -0.058 0.000 2.160 173 E HA -0.153 4.199 4.350 0.003 0.000 0.195 173 E C 1.745 178.317 176.600 -0.048 0.000 0.991 173 E CA 1.123 57.502 56.400 -0.036 0.000 0.810 173 E CB -0.393 29.289 29.700 -0.031 0.000 0.742 173 E HN 0.330 nan 8.360 nan 0.000 0.466 174 D N -1.111 119.246 120.400 -0.072 0.000 2.363 174 D HA 0.029 4.671 4.640 0.003 0.000 0.226 174 D C 0.533 176.789 176.300 -0.073 0.000 1.020 174 D CA 0.961 54.919 54.000 -0.070 0.000 0.892 174 D CB 0.174 40.922 40.800 -0.086 0.000 0.900 174 D HN 0.394 nan 8.370 nan 0.000 0.531 175 G N 0.801 109.544 108.800 -0.095 0.000 2.130 175 G HA2 -0.232 3.730 3.960 0.003 0.000 0.216 175 G HA3 -0.232 3.730 3.960 0.003 0.000 0.216 175 G C 0.263 175.082 174.900 -0.136 0.000 0.999 175 G CA -0.266 44.774 45.100 -0.099 0.000 0.686 175 G HN 0.328 nan 8.290 nan 0.000 0.515 176 L N 0.888 121.984 121.223 -0.212 0.000 2.556 176 L HA 0.340 4.681 4.340 0.003 0.000 0.243 176 L C -2.316 174.429 176.870 -0.209 0.000 1.331 176 L CA -1.977 52.719 54.840 -0.241 0.000 0.927 176 L CB 1.622 43.336 42.059 -0.575 0.000 1.219 176 L HN -0.081 nan 8.230 nan 0.000 0.490 177 P HA 0.209 nan 4.420 nan 0.000 0.274 177 P C -0.942 176.440 177.300 0.137 0.000 1.246 177 P CA -0.459 62.522 63.100 -0.198 0.000 0.795 177 P CB 1.063 32.418 31.700 -0.574 0.000 1.006 178 L N 0.816 122.044 121.223 0.009 0.000 2.356 178 L HA 0.761 5.103 4.340 0.003 0.000 0.277 178 L C -0.182 176.511 176.870 -0.295 0.000 0.996 178 L CA -0.182 54.653 54.840 -0.008 0.000 0.822 178 L CB 1.121 43.183 42.059 0.006 0.000 1.256 178 L HN 0.468 nan 8.230 nan 0.000 0.413 179 G N 3.833 112.328 108.800 -0.509 0.000 2.417 179 G HA2 0.632 4.594 3.960 0.003 0.000 0.334 179 G HA3 0.632 4.594 3.960 0.003 0.000 0.334 179 G C -1.625 172.972 174.900 -0.506 0.000 1.150 179 G CA -0.538 43.839 45.100 -1.205 0.000 0.923 179 G HN 0.498 nan 8.290 nan 0.000 0.485 180 V N 2.398 122.086 119.914 -0.377 0.000 2.483 180 V HA 0.335 4.457 4.120 0.003 0.000 0.297 180 V C -0.523 175.532 176.094 -0.066 0.000 1.027 180 V CA -1.245 60.958 62.300 -0.162 0.000 0.855 180 V CB 1.611 33.369 31.823 -0.109 0.000 0.995 180 V HN 0.748 nan 8.190 nan 0.000 0.424 181 N N 5.288 123.965 118.700 -0.038 0.000 2.422 181 N HA 0.455 5.197 4.740 0.003 0.000 0.266 181 N C -1.076 174.424 175.510 -0.017 0.000 1.007 181 N CA -0.320 52.740 53.050 0.017 0.000 0.941 181 N CB 1.349 39.856 38.487 0.034 0.000 1.115 181 N HN 0.620 nan 8.380 nan 0.000 0.492 182 L N 2.466 123.710 121.223 0.034 0.000 2.282 182 L HA 0.556 4.898 4.340 0.003 0.000 0.288 182 L C 1.190 178.074 176.870 0.023 0.000 1.033 182 L CA -0.778 54.079 54.840 0.029 0.000 0.807 182 L CB 1.617 43.767 42.059 0.152 0.000 1.209 182 L HN 0.494 nan 8.230 nan 0.000 0.423 183 G N 2.465 111.087 108.800 -0.295 0.000 2.887 183 G HA2 0.687 4.648 3.960 0.003 0.000 0.277 183 G HA3 0.687 4.648 3.960 0.003 0.000 0.277 183 G C -1.262 173.287 174.900 -0.584 0.000 1.346 183 G CA -0.599 44.135 45.100 -0.609 0.000 1.058 183 G HN 0.614 nan 8.290 nan 0.000 0.535 184 K N -0.883 119.248 120.400 -0.449 0.000 2.385 184 K HA 0.462 4.784 4.320 0.003 0.000 0.248 184 K C -0.801 175.756 176.600 -0.071 0.000 0.955 184 K CA -0.884 55.207 56.287 -0.326 0.000 0.816 184 K CB 2.044 34.351 32.500 -0.321 0.000 1.250 184 K HN 0.380 nan 8.250 nan 0.000 0.434 185 N N 1.222 119.883 118.700 -0.066 0.000 2.508 185 N HA -0.013 4.728 4.740 0.003 0.000 0.264 185 N C 0.604 176.151 175.510 0.061 0.000 1.216 185 N CA -0.276 52.783 53.050 0.016 0.000 0.943 185 N CB 1.124 39.606 38.487 -0.008 0.000 1.113 185 N HN 0.686 nan 8.380 nan 0.000 0.447 186 K N 0.448 120.903 120.400 0.091 0.000 2.074 186 K HA -0.187 4.134 4.320 0.003 0.000 0.209 186 K C 1.234 177.863 176.600 0.048 0.000 1.048 186 K CA 1.754 58.088 56.287 0.079 0.000 0.926 186 K CB -0.111 32.432 32.500 0.073 0.000 0.713 186 K HN 0.772 nan 8.250 nan 0.000 0.444 187 T N -1.753 112.822 114.554 0.035 0.000 3.144 187 T HA 0.091 4.443 4.350 0.003 0.000 0.249 187 T C 0.648 175.358 174.700 0.017 0.000 1.089 187 T CA -0.198 61.917 62.100 0.025 0.000 0.989 187 T CB 0.242 69.123 68.868 0.020 0.000 0.992 187 T HN 0.102 nan 8.240 nan 0.000 0.540 188 S N 0.344 116.052 115.700 0.014 0.000 2.549 188 S HA 0.216 4.687 4.470 0.003 0.000 0.283 188 S C 1.330 175.937 174.600 0.012 0.000 1.320 188 S CA -0.636 57.566 58.200 0.002 0.000 1.058 188 S CB 0.752 63.940 63.200 -0.020 0.000 0.882 188 S HN 0.200 nan 8.310 nan 0.000 0.498 189 V N 3.015 122.935 119.914 0.010 0.000 2.446 189 V HA 0.069 4.190 4.120 0.003 0.000 0.244 189 V C 0.957 177.064 176.094 0.022 0.000 1.039 189 V CA 1.428 63.738 62.300 0.016 0.000 1.045 189 V CB -0.300 31.531 31.823 0.014 0.000 0.681 189 V HN 0.865 nan 8.190 nan 0.000 0.459 190 D N -0.463 119.947 120.400 0.017 0.000 2.477 190 D HA 0.471 5.113 4.640 0.003 0.000 0.239 190 D C 0.885 177.201 176.300 0.026 0.000 1.102 190 D CA 0.394 54.409 54.000 0.026 0.000 0.901 190 D CB 1.523 42.336 40.800 0.021 0.000 1.026 190 D HN 0.125 nan 8.370 nan 0.000 0.515 191 A N 3.506 126.359 122.820 0.054 0.000 1.883 191 A HA -0.101 4.220 4.320 0.003 0.000 0.217 191 A C 2.141 179.814 177.584 0.149 0.000 1.186 191 A CA 1.918 54.001 52.037 0.076 0.000 0.624 191 A CB -0.549 18.557 19.000 0.176 0.000 0.822 191 A HN 0.589 nan 8.150 nan 0.000 0.444 192 A N -0.472 122.459 122.820 0.185 0.000 1.908 192 A HA -0.206 4.115 4.320 0.003 0.000 0.218 192 A C 1.981 179.652 177.584 0.144 0.000 1.181 192 A CA 2.305 54.467 52.037 0.209 0.000 0.627 192 A CB -0.487 18.586 19.000 0.122 0.000 0.818 192 A HN 0.544 nan 8.150 nan 0.000 0.445 193 E N 0.345 120.586 120.200 0.068 0.000 2.150 193 E HA -0.142 4.210 4.350 0.003 0.000 0.193 193 E C 1.352 177.948 176.600 -0.005 0.000 0.985 193 E CA 1.439 57.859 56.400 0.033 0.000 0.814 193 E CB -0.307 29.403 29.700 0.016 0.000 0.752 193 E HN 0.539 nan 8.360 nan 0.000 0.466 194 D N -0.782 119.576 120.400 -0.070 0.000 2.104 194 D HA -0.175 4.467 4.640 0.003 0.000 0.194 194 D C 1.660 177.842 176.300 -0.197 0.000 0.994 194 D CA 1.255 55.146 54.000 -0.183 0.000 0.830 194 D CB -0.406 40.197 40.800 -0.327 0.000 0.959 194 D HN 0.357 nan 8.370 nan 0.000 0.452 195 Y N 0.868 121.167 120.300 -0.002 0.000 2.181 195 Y HA -0.118 4.434 4.550 0.003 0.000 0.288 195 Y C 2.470 178.368 175.900 -0.003 0.000 1.146 195 Y CA 0.959 59.056 58.100 -0.005 0.000 1.164 195 Y CB -0.328 38.136 38.460 0.008 0.000 0.982 195 Y HN -0.068 nan 8.280 nan 0.000 0.515 196 A N 0.360 123.267 122.820 0.144 0.000 1.902 196 A HA -0.239 4.083 4.320 0.003 0.000 0.217 196 A C 1.991 179.601 177.584 0.044 0.000 1.181 196 A CA 1.934 54.021 52.037 0.084 0.000 0.623 196 A CB -0.657 18.382 19.000 0.064 0.000 0.818 196 A HN 0.517 nan 8.150 nan 0.000 0.443 197 E N -0.744 119.467 120.200 0.018 0.000 2.085 197 E HA -0.141 4.211 4.350 0.003 0.000 0.194 197 E C 2.133 178.729 176.600 -0.007 0.000 0.994 197 E CA 0.910 57.307 56.400 -0.005 0.000 0.801 197 E CB -0.396 29.288 29.700 -0.026 0.000 0.743 197 E HN 0.618 nan 8.360 nan 0.000 0.453 198 G N 0.660 109.457 108.800 -0.003 0.000 2.422 198 G HA2 -0.236 3.725 3.960 0.003 0.000 0.218 198 G HA3 -0.236 3.725 3.960 0.003 0.000 0.218 198 G C 1.726 176.638 174.900 0.019 0.000 1.146 198 G CA 0.771 45.871 45.100 0.000 0.000 0.769 198 G HN 0.124 nan 8.290 nan 0.000 0.547 199 V N 0.731 120.671 119.914 0.044 0.000 2.295 199 V HA -0.202 3.920 4.120 0.003 0.000 0.246 199 V C 2.936 179.043 176.094 0.022 0.000 1.049 199 V CA 2.088 64.413 62.300 0.042 0.000 1.024 199 V CB -0.495 31.360 31.823 0.054 0.000 0.648 199 V HN 0.321 nan 8.190 nan 0.000 0.447 200 R N -0.521 119.987 120.500 0.013 0.000 2.081 200 R HA -0.116 4.226 4.340 0.003 0.000 0.235 200 R C 2.165 178.454 176.300 -0.019 0.000 1.131 200 R CA 1.568 57.667 56.100 -0.002 0.000 0.960 200 R CB -0.433 29.866 30.300 -0.003 0.000 0.856 200 R HN 0.442 nan 8.270 nan 0.000 0.436 201 V N 0.603 120.503 119.914 -0.024 0.000 2.426 201 V HA -0.086 4.036 4.120 0.003 0.000 0.242 201 V C 1.992 178.056 176.094 -0.050 0.000 1.036 201 V CA 1.336 63.609 62.300 -0.045 0.000 1.044 201 V CB -0.120 31.675 31.823 -0.048 0.000 0.688 201 V HN 0.245 nan 8.190 nan 0.000 0.462 202 L N -0.134 121.070 121.223 -0.032 0.000 2.638 202 L HA 0.296 4.638 4.340 0.003 0.000 0.232 202 L C 2.463 179.328 176.870 -0.008 0.000 1.099 202 L CA 0.763 55.585 54.840 -0.029 0.000 0.883 202 L CB -0.646 41.392 42.059 -0.035 0.000 1.136 202 L HN 0.413 nan 8.230 nan 0.000 0.492 203 G N 2.159 110.963 108.800 0.008 0.000 2.513 203 G HA2 -0.221 3.741 3.960 0.003 0.000 0.219 203 G HA3 -0.221 3.741 3.960 0.003 0.000 0.219 203 G C -0.826 174.108 174.900 0.056 0.000 1.160 203 G CA 0.861 45.981 45.100 0.033 0.000 0.767 203 G HN 0.294 nan 8.290 nan 0.000 0.571 204 P HA 0.060 nan 4.420 nan 0.000 0.231 204 P C 1.256 178.671 177.300 0.190 0.000 1.158 204 P CA 0.723 63.897 63.100 0.123 0.000 0.763 204 P CB -0.010 31.654 31.700 -0.059 0.000 0.805 205 L N -2.890 118.379 121.223 0.077 0.000 2.766 205 L HA 0.352 4.694 4.340 0.003 0.000 0.242 205 L C 0.844 177.722 176.870 0.014 0.000 1.136 205 L CA -0.327 54.544 54.840 0.052 0.000 0.933 205 L CB 0.203 42.266 42.059 0.007 0.000 1.241 205 L HN -0.177 nan 8.230 nan 0.000 0.522 206 A N -0.908 121.916 122.820 0.007 0.000 2.355 206 A HA 0.418 4.739 4.320 0.003 0.000 0.324 206 A C 0.028 177.597 177.584 -0.025 0.000 1.117 206 A CA -0.534 51.475 52.037 -0.048 0.000 0.785 206 A CB 0.929 19.887 19.000 -0.071 0.000 1.254 206 A HN 0.020 nan 8.150 nan 0.000 0.453 207 D N -0.280 120.067 120.400 -0.088 0.000 2.162 207 D HA 0.059 4.700 4.640 0.003 0.000 0.203 207 D C -0.029 176.356 176.300 0.142 0.000 0.967 207 D CA 2.121 56.090 54.000 -0.052 0.000 0.840 207 D CB 0.015 40.595 40.800 -0.367 0.000 0.972 207 D HN 0.664 nan 8.370 nan 0.000 0.482 208 Y N -1.374 118.953 120.300 0.044 0.000 2.562 208 Y HA 0.599 5.151 4.550 0.002 0.000 0.345 208 Y C -1.343 174.596 175.900 0.065 0.000 1.045 208 Y CA -1.325 56.820 58.100 0.075 0.000 1.028 208 Y CB 0.952 39.471 38.460 0.097 0.000 1.297 208 Y HN -0.345 nan 8.280 nan 0.000 0.463 209 L N 3.112 124.482 121.223 0.245 0.000 2.330 209 L HA 0.805 5.147 4.340 0.003 0.000 0.271 209 L C -0.988 176.031 176.870 0.249 0.000 1.013 209 L CA -1.512 53.422 54.840 0.157 0.000 0.816 209 L CB 2.112 44.233 42.059 0.102 0.000 1.287 209 L HN 0.601 nan 8.230 nan 0.000 0.435 210 V N 2.442 122.466 119.914 0.184 0.000 2.487 210 V HA 0.292 4.414 4.120 0.003 0.000 0.298 210 V C -0.151 175.999 176.094 0.093 0.000 1.028 210 V CA -0.701 61.698 62.300 0.165 0.000 0.860 210 V CB 1.998 33.945 31.823 0.205 0.000 0.991 210 V HN 0.391 nan 8.190 nan 0.000 0.427 211 V N 4.262 124.189 119.914 0.022 0.000 2.322 211 V HA 0.235 4.356 4.120 0.003 0.000 0.258 211 V C 0.491 176.551 176.094 -0.055 0.000 1.074 211 V CA -0.394 61.840 62.300 -0.109 0.000 0.909 211 V CB 0.758 32.423 31.823 -0.263 0.000 1.090 211 V HN 0.860 nan 8.190 nan 0.000 0.486 212 N N 4.370 123.112 118.700 0.070 0.000 2.448 212 N HA 0.062 4.804 4.740 0.003 0.000 0.250 212 N C 0.078 175.702 175.510 0.190 0.000 1.136 212 N CA 0.142 53.286 53.050 0.158 0.000 0.953 212 N CB 1.452 40.090 38.487 0.253 0.000 1.251 212 N HN 0.389 nan 8.380 nan 0.000 0.502 213 V N 2.782 122.749 119.914 0.089 0.000 3.177 213 V HA 0.181 4.303 4.120 0.003 0.000 0.342 213 V C 0.663 176.820 176.094 0.106 0.000 1.379 213 V CA 0.556 62.914 62.300 0.096 0.000 1.191 213 V CB -0.753 31.068 31.823 -0.003 0.000 1.167 213 V HN 0.736 nan 8.190 nan 0.000 0.471 214 S N -1.804 113.971 115.700 0.125 0.000 2.960 214 S HA 0.232 4.703 4.470 0.003 0.000 0.256 214 S C 0.610 175.249 174.600 0.066 0.000 1.017 214 S CA 0.229 58.479 58.200 0.082 0.000 1.144 214 S CB 0.240 63.481 63.200 0.068 0.000 1.109 214 S HN 0.431 nan 8.310 nan 0.000 0.638 215 S N 3.392 119.135 115.700 0.071 0.000 2.537 215 S HA 0.273 4.745 4.470 0.003 0.000 0.286 215 S C -1.659 172.894 174.600 -0.079 0.000 1.299 215 S CA -0.835 57.331 58.200 -0.057 0.000 1.067 215 S CB 0.690 63.683 63.200 -0.345 0.000 0.864 215 S HN 0.213 nan 8.310 nan 0.000 0.494 216 P HA 0.109 nan 4.420 nan 0.000 0.241 216 P C -0.018 177.234 177.300 -0.081 0.000 1.191 216 P CA 0.497 63.565 63.100 -0.052 0.000 0.771 216 P CB 0.043 31.725 31.700 -0.030 0.000 0.929 217 N N -1.041 117.568 118.700 -0.152 0.000 2.234 217 N HA 0.092 4.834 4.740 0.003 0.000 0.227 217 N C -0.342 175.045 175.510 -0.205 0.000 1.151 217 N CA 0.307 53.263 53.050 -0.157 0.000 0.865 217 N CB 0.612 39.011 38.487 -0.146 0.000 1.066 217 N HN -0.014 nan 8.380 nan 0.000 0.515 218 T N 0.519 114.951 114.554 -0.203 0.000 2.890 218 T HA 0.451 4.803 4.350 0.003 0.000 0.295 218 T C -0.088 174.590 174.700 -0.038 0.000 0.993 218 T CA -0.624 61.402 62.100 -0.124 0.000 0.979 218 T CB 2.055 70.838 68.868 -0.142 0.000 0.967 218 T HN 0.158 nan 8.240 nan 0.000 0.441 219 A N 2.019 124.832 122.820 -0.012 0.000 2.566 219 A HA 0.495 4.817 4.320 0.003 0.000 0.245 219 A C 1.638 179.237 177.584 0.025 0.000 1.056 219 A CA 0.771 52.811 52.037 0.005 0.000 0.757 219 A CB -0.857 18.149 19.000 0.009 0.000 0.979 219 A HN 1.728 nan 8.150 nan 0.000 0.508 220 G N 1.327 110.142 108.800 0.026 0.000 2.253 220 G HA2 -0.278 3.684 3.960 0.003 0.000 0.251 220 G HA3 -0.278 3.684 3.960 0.003 0.000 0.251 220 G C 0.918 175.854 174.900 0.059 0.000 0.998 220 G CA 0.819 45.943 45.100 0.040 0.000 0.621 220 G HN 1.484 nan 8.290 nan 0.000 0.524 221 L N 0.927 122.191 121.223 0.068 0.000 2.012 221 L HA 0.142 4.484 4.340 0.003 0.000 0.210 221 L C 2.759 179.686 176.870 0.095 0.000 1.073 221 L CA 2.980 57.888 54.840 0.112 0.000 0.748 221 L CB -0.523 41.613 42.059 0.129 0.000 0.891 221 L HN 0.397 nan 8.230 nan 0.000 0.431 222 R N -0.707 119.829 120.500 0.060 0.000 2.189 222 R HA -0.085 4.257 4.340 0.003 0.000 0.223 222 R C 2.318 178.643 176.300 0.041 0.000 1.092 222 R CA 1.117 57.246 56.100 0.048 0.000 0.989 222 R CB -0.487 29.831 30.300 0.030 0.000 0.876 222 R HN 0.660 nan 8.270 nan 0.000 0.457 223 S N 0.689 116.414 115.700 0.042 0.000 2.481 223 S HA -0.030 4.442 4.470 0.003 0.000 0.231 223 S C 1.823 176.446 174.600 0.039 0.000 0.996 223 S CA 0.596 58.818 58.200 0.036 0.000 0.942 223 S CB -0.233 62.987 63.200 0.033 0.000 0.768 223 S HN 0.257 nan 8.310 nan 0.000 0.520 224 L N 0.599 121.853 121.223 0.052 0.000 2.456 224 L HA -0.011 4.331 4.340 0.003 0.000 0.224 224 L C 2.672 179.554 176.870 0.020 0.000 1.148 224 L CA 0.795 55.663 54.840 0.046 0.000 0.825 224 L CB -0.622 41.479 42.059 0.069 0.000 0.937 224 L HN 0.398 nan 8.230 nan 0.000 0.450 225 Q N 0.231 120.044 119.800 0.022 0.000 2.369 225 Q HA 0.011 4.352 4.340 0.003 0.000 0.206 225 Q C 1.351 177.356 176.000 0.010 0.000 0.963 225 Q CA 0.395 56.206 55.803 0.012 0.000 0.894 225 Q CB -0.090 28.658 28.738 0.017 0.000 0.965 225 Q HN 0.540 nan 8.270 nan 0.000 0.475 226 G N 0.579 109.387 108.800 0.013 0.000 2.636 226 G HA2 -0.066 3.895 3.960 0.003 0.000 0.246 226 G HA3 -0.066 3.895 3.960 0.003 0.000 0.246 226 G C 0.250 175.155 174.900 0.008 0.000 1.216 226 G CA -0.369 44.737 45.100 0.011 0.000 0.854 226 G HN 0.098 nan 8.290 nan 0.000 0.572 227 K N 0.615 121.019 120.400 0.006 0.000 1.973 227 K HA -0.078 4.244 4.320 0.003 0.000 0.212 227 K C 2.815 179.418 176.600 0.004 0.000 1.047 227 K CA 1.583 57.872 56.287 0.004 0.000 0.937 227 K CB -0.300 32.202 32.500 0.003 0.000 0.721 227 K HN 0.477 nan 8.250 nan 0.000 0.440 228 A N 0.938 123.762 122.820 0.007 0.000 1.877 228 A HA -0.206 4.115 4.320 0.003 0.000 0.216 228 A C 2.017 179.608 177.584 0.011 0.000 1.186 228 A CA 1.800 53.842 52.037 0.008 0.000 0.620 228 A CB -0.628 18.378 19.000 0.009 0.000 0.822 228 A HN 0.537 nan 8.150 nan 0.000 0.443 229 E N -0.794 119.414 120.200 0.014 0.000 2.038 229 E HA -0.229 4.123 4.350 0.003 0.000 0.195 229 E C 1.921 178.529 176.600 0.013 0.000 1.000 229 E CA 1.475 57.887 56.400 0.019 0.000 0.803 229 E CB -0.210 29.505 29.700 0.024 0.000 0.750 229 E HN 0.456 nan 8.360 nan 0.000 0.448 230 L N 1.159 122.385 121.223 0.004 0.000 2.046 230 L HA -0.168 4.174 4.340 0.003 0.000 0.208 230 L C 2.425 179.289 176.870 -0.011 0.000 1.077 230 L CA 1.758 56.592 54.840 -0.009 0.000 0.747 230 L CB -0.396 41.656 42.059 -0.011 0.000 0.896 230 L HN 0.008 nan 8.230 nan 0.000 0.432 231 R N -0.649 119.848 120.500 -0.004 0.000 2.073 231 R HA -0.213 4.128 4.340 0.003 0.000 0.234 231 R C 2.574 178.874 176.300 0.000 0.000 1.134 231 R CA 1.817 57.915 56.100 -0.003 0.000 0.952 231 R CB -0.287 30.013 30.300 -0.001 0.000 0.850 231 R HN 0.365 nan 8.270 nan 0.000 0.433 232 R N 0.431 120.935 120.500 0.007 0.000 2.073 232 R HA -0.162 4.179 4.340 0.003 0.000 0.234 232 R C 2.399 178.709 176.300 0.016 0.000 1.134 232 R CA 1.614 57.722 56.100 0.013 0.000 0.952 232 R CB -0.425 29.886 30.300 0.019 0.000 0.850 232 R HN 0.265 nan 8.270 nan 0.000 0.433 233 L N 1.114 122.346 121.223 0.014 0.000 1.989 233 L HA -0.158 4.184 4.340 0.003 0.000 0.211 233 L C 2.036 178.901 176.870 -0.009 0.000 1.071 233 L CA 1.792 56.639 54.840 0.012 0.000 0.749 233 L CB -0.448 41.604 42.059 -0.012 0.000 0.890 233 L HN 0.253 nan 8.230 nan 0.000 0.431 234 L N -1.215 119.993 121.223 -0.026 0.000 2.141 234 L HA -0.152 4.189 4.340 0.003 0.000 0.209 234 L C 2.359 179.225 176.870 -0.008 0.000 1.094 234 L CA 1.397 56.219 54.840 -0.030 0.000 0.763 234 L CB -1.063 40.976 42.059 -0.034 0.000 0.908 234 L HN 0.314 nan 8.230 nan 0.000 0.437 235 T N -0.249 114.305 114.554 -0.000 0.000 2.684 235 T HA -0.260 4.091 4.350 0.003 0.000 0.267 235 T C 1.921 176.629 174.700 0.014 0.000 1.036 235 T CA 1.727 63.831 62.100 0.006 0.000 1.148 235 T CB -0.095 68.777 68.868 0.008 0.000 0.863 235 T HN 0.265 nan 8.240 nan 0.000 0.436 236 K N 0.707 121.119 120.400 0.020 0.000 2.026 236 K HA -0.080 4.242 4.320 0.003 0.000 0.208 236 K C 2.225 178.846 176.600 0.034 0.000 1.048 236 K CA 1.107 57.412 56.287 0.030 0.000 0.929 236 K CB -0.393 32.132 32.500 0.041 0.000 0.713 236 K HN 0.112 nan 8.250 nan 0.000 0.439 237 V N 1.837 121.771 119.914 0.033 0.000 2.287 237 V HA -0.278 3.843 4.120 0.003 0.000 0.248 237 V C 2.341 178.453 176.094 0.030 0.000 1.053 237 V CA 1.841 64.163 62.300 0.037 0.000 1.027 237 V CB -0.403 31.428 31.823 0.013 0.000 0.646 237 V HN 0.344 nan 8.190 nan 0.000 0.447 238 L N -0.550 120.685 121.223 0.020 0.000 2.093 238 L HA -0.220 4.122 4.340 0.003 0.000 0.208 238 L C 2.625 179.508 176.870 0.022 0.000 1.085 238 L CA 1.739 56.591 54.840 0.020 0.000 0.755 238 L CB -0.628 41.438 42.059 0.013 0.000 0.904 238 L HN 0.416 nan 8.230 nan 0.000 0.435 239 Q N 0.136 119.948 119.800 0.021 0.000 2.061 239 Q HA -0.239 4.103 4.340 0.003 0.000 0.204 239 Q C 2.099 178.113 176.000 0.024 0.000 0.984 239 Q CA 1.559 57.374 55.803 0.020 0.000 0.846 239 Q CB 0.145 28.895 28.738 0.019 0.000 0.902 239 Q HN 0.394 nan 8.270 nan 0.000 0.421 240 E N 0.334 120.551 120.200 0.028 0.000 2.077 240 E HA -0.191 4.161 4.350 0.003 0.000 0.193 240 E C 1.958 178.577 176.600 0.032 0.000 0.989 240 E CA 0.753 57.171 56.400 0.030 0.000 0.800 240 E CB -0.349 29.372 29.700 0.036 0.000 0.746 240 E HN 0.275 nan 8.360 nan 0.000 0.452 241 R N 1.295 121.816 120.500 0.036 0.000 2.081 241 R HA -0.139 4.203 4.340 0.003 0.000 0.235 241 R C 1.272 177.595 176.300 0.039 0.000 1.131 241 R CA 1.407 57.532 56.100 0.042 0.000 0.960 241 R CB -0.320 30.008 30.300 0.045 0.000 0.856 241 R HN 0.053 nan 8.270 nan 0.000 0.436 242 D N -0.584 119.835 120.400 0.031 0.000 2.218 242 D HA -0.079 4.563 4.640 0.003 0.000 0.204 242 D C 1.522 177.838 176.300 0.027 0.000 0.976 242 D CA 1.378 55.394 54.000 0.027 0.000 0.853 242 D CB -0.401 40.412 40.800 0.021 0.000 0.939 242 D HN 0.499 nan 8.370 nan 0.000 0.481 243 G N -0.157 108.658 108.800 0.026 0.000 2.744 243 G HA2 0.041 4.002 3.960 0.003 0.000 0.211 243 G HA3 0.041 4.002 3.960 0.003 0.000 0.211 243 G C 0.696 175.612 174.900 0.026 0.000 1.143 243 G CA -0.119 44.995 45.100 0.023 0.000 0.788 243 G HN 0.189 nan 8.290 nan 0.000 0.534 244 L N 0.625 121.870 121.223 0.036 0.000 2.395 244 L HA 0.358 4.700 4.340 0.003 0.000 0.269 244 L C 0.703 177.611 176.870 0.064 0.000 1.133 244 L CA -0.929 53.941 54.840 0.049 0.000 0.812 244 L CB 0.932 43.030 42.059 0.066 0.000 1.125 244 L HN 0.043 nan 8.230 nan 0.000 0.452 245 R N 1.567 122.116 120.500 0.082 0.000 2.698 245 R HA -0.015 4.327 4.340 0.003 0.000 0.266 245 R C 1.304 177.663 176.300 0.099 0.000 1.026 245 R CA -0.121 56.037 56.100 0.096 0.000 1.102 245 R CB 0.451 30.829 30.300 0.130 0.000 0.978 245 R HN 0.596 nan 8.270 nan 0.000 0.436 246 R N 1.342 121.875 120.500 0.056 0.000 2.113 246 R HA -0.187 4.155 4.340 0.003 0.000 0.244 246 R C 1.847 178.146 176.300 -0.002 0.000 1.142 246 R CA 1.968 58.084 56.100 0.026 0.000 0.953 246 R CB -1.012 29.294 30.300 0.010 0.000 0.860 246 R HN 0.595 nan 8.270 nan 0.000 0.438 247 V N -1.164 118.725 119.914 -0.041 0.000 3.078 247 V HA -0.074 4.048 4.120 0.003 0.000 0.265 247 V C 1.009 176.916 176.094 -0.311 0.000 1.122 247 V CA 1.388 63.583 62.300 -0.175 0.000 1.141 247 V CB -0.649 31.028 31.823 -0.244 0.000 0.735 247 V HN 0.325 nan 8.190 nan 0.000 0.498 248 H N 0.690 119.774 119.070 0.022 0.000 2.486 248 H HA 0.444 5.002 4.556 0.003 0.000 0.284 248 H C 0.286 175.631 175.328 0.029 0.000 1.103 248 H CA -0.227 55.834 56.048 0.022 0.000 1.089 248 H CB 0.399 30.167 29.762 0.011 0.000 1.603 248 H HN 0.435 nan 8.280 nan 0.000 0.557 249 R N 3.001 123.558 120.500 0.094 0.000 2.247 249 R HA 0.223 4.565 4.340 0.003 0.000 0.329 249 R C -2.608 173.746 176.300 0.089 0.000 1.014 249 R CA -1.496 54.654 56.100 0.083 0.000 0.907 249 R CB 1.034 31.370 30.300 0.059 0.000 1.146 249 R HN 0.090 nan 8.270 nan 0.000 0.499 250 P HA 0.206 nan 4.420 nan 0.000 0.279 250 P C -0.838 176.542 177.300 0.134 0.000 1.252 250 P CA -0.493 62.685 63.100 0.129 0.000 0.811 250 P CB 1.301 33.068 31.700 0.111 0.000 1.035 251 A N 1.510 124.439 122.820 0.181 0.000 2.466 251 A HA 0.354 4.676 4.320 0.003 0.000 0.238 251 A C -0.081 177.597 177.584 0.157 0.000 1.074 251 A CA -0.122 52.008 52.037 0.156 0.000 0.774 251 A CB -0.149 18.958 19.000 0.180 0.000 1.015 251 A HN 0.369 nan 8.150 nan 0.000 0.498 252 V N 2.778 122.753 119.914 0.102 0.000 2.444 252 V HA 0.447 4.569 4.120 0.003 0.000 0.294 252 V C -0.576 175.552 176.094 0.057 0.000 1.022 252 V CA -0.230 62.123 62.300 0.089 0.000 0.850 252 V CB 1.054 32.910 31.823 0.054 0.000 0.992 252 V HN 0.724 nan 8.190 nan 0.000 0.426 253 L N 4.988 126.254 121.223 0.071 0.000 2.319 253 L HA 0.720 5.061 4.340 0.003 0.000 0.267 253 L C -0.332 176.551 176.870 0.022 0.000 1.011 253 L CA -0.586 54.268 54.840 0.023 0.000 0.818 253 L CB 2.183 44.232 42.059 -0.015 0.000 1.316 253 L HN 0.355 nan 8.230 nan 0.000 0.432 254 V N 1.290 121.204 119.914 -0.001 0.000 2.417 254 V HA 0.434 4.556 4.120 0.003 0.000 0.291 254 V C -0.219 175.882 176.094 0.011 0.000 1.024 254 V CA -0.872 61.423 62.300 -0.008 0.000 0.861 254 V CB 1.603 33.410 31.823 -0.026 0.000 0.985 254 V HN 0.633 nan 8.190 nan 0.000 0.436 255 K N 5.751 126.168 120.400 0.029 0.000 2.240 255 K HA 0.669 4.991 4.320 0.003 0.000 0.271 255 K C -0.555 176.072 176.600 0.046 0.000 1.018 255 K CA -0.507 55.810 56.287 0.050 0.000 0.874 255 K CB 1.022 33.572 32.500 0.084 0.000 1.098 255 K HN 0.781 nan 8.250 nan 0.000 0.458 256 I N 0.714 121.308 120.570 0.040 0.000 2.750 256 I HA 0.654 4.825 4.170 0.003 0.000 0.308 256 I C -0.124 176.018 176.117 0.041 0.000 1.016 256 I CA -1.161 60.161 61.300 0.036 0.000 1.098 256 I CB 1.921 39.936 38.000 0.025 0.000 1.279 256 I HN 0.595 nan 8.210 nan 0.000 0.454 257 A N 4.150 126.992 122.820 0.036 0.000 2.366 257 A HA 0.516 4.838 4.320 0.003 0.000 0.249 257 A C -1.789 175.812 177.584 0.029 0.000 1.084 257 A CA -1.233 50.824 52.037 0.033 0.000 0.794 257 A CB -0.469 18.548 19.000 0.027 0.000 1.034 257 A HN 0.766 nan 8.150 nan 0.000 0.491 258 P HA 0.083 nan 4.420 nan 0.000 0.255 258 P C -0.292 177.019 177.300 0.019 0.000 1.248 258 P CA 0.581 63.696 63.100 0.024 0.000 0.807 258 P CB 0.343 32.057 31.700 0.023 0.000 1.150 259 D N -0.206 120.204 120.400 0.017 0.000 2.424 259 D HA 0.173 4.814 4.640 0.003 0.000 0.220 259 D C 0.705 177.013 176.300 0.013 0.000 1.150 259 D CA -0.053 53.955 54.000 0.013 0.000 0.831 259 D CB 0.473 41.279 40.800 0.010 0.000 0.981 259 D HN 0.228 nan 8.370 nan 0.000 0.500 260 L N 1.186 122.419 121.223 0.016 0.000 2.436 260 L HA 0.164 4.506 4.340 0.003 0.000 0.265 260 L C 1.435 178.313 176.870 0.013 0.000 1.168 260 L CA -0.302 54.547 54.840 0.015 0.000 0.815 260 L CB 0.663 42.732 42.059 0.017 0.000 1.109 260 L HN -0.030 nan 8.230 nan 0.000 0.462 261 T N -1.629 112.932 114.554 0.012 0.000 2.828 261 T HA 0.088 4.439 4.350 0.003 0.000 0.290 261 T C 1.198 175.905 174.700 0.012 0.000 1.019 261 T CA -0.557 61.550 62.100 0.011 0.000 1.031 261 T CB 1.185 70.058 68.868 0.009 0.000 1.001 261 T HN 0.562 nan 8.240 nan 0.000 0.531 262 S N 0.392 116.099 115.700 0.012 0.000 2.374 262 S HA -0.190 4.282 4.470 0.003 0.000 0.227 262 S C 2.065 176.672 174.600 0.011 0.000 1.037 262 S CA 1.643 59.851 58.200 0.013 0.000 1.024 262 S CB -0.612 62.596 63.200 0.012 0.000 0.861 262 S HN 0.862 nan 8.310 nan 0.000 0.456 263 Q N 1.548 121.353 119.800 0.009 0.000 2.084 263 Q HA -0.142 4.200 4.340 0.003 0.000 0.202 263 Q C 1.411 177.416 176.000 0.008 0.000 0.978 263 Q CA 1.739 57.546 55.803 0.008 0.000 0.844 263 Q CB -0.436 28.306 28.738 0.007 0.000 0.898 263 Q HN 0.369 nan 8.270 nan 0.000 0.426 264 D N 0.032 120.437 120.400 0.009 0.000 2.104 264 D HA -0.165 4.476 4.640 0.003 0.000 0.194 264 D C 1.678 177.983 176.300 0.009 0.000 0.994 264 D CA 1.421 55.426 54.000 0.009 0.000 0.830 264 D CB -0.069 40.738 40.800 0.011 0.000 0.959 264 D HN 0.341 nan 8.370 nan 0.000 0.452 265 K N 0.464 120.871 120.400 0.011 0.000 2.057 265 K HA -0.121 4.201 4.320 0.003 0.000 0.206 265 K C 2.121 178.726 176.600 0.008 0.000 1.050 265 K CA 0.802 57.096 56.287 0.012 0.000 0.935 265 K CB -0.053 32.457 32.500 0.018 0.000 0.715 265 K HN 0.158 nan 8.250 nan 0.000 0.439 266 E N 1.153 121.357 120.200 0.008 0.000 2.058 266 E HA -0.241 4.111 4.350 0.003 0.000 0.194 266 E C 1.341 177.941 176.600 0.000 0.000 0.997 266 E CA 1.737 58.139 56.400 0.004 0.000 0.801 266 E CB 0.111 29.814 29.700 0.005 0.000 0.746 266 E HN 0.193 nan 8.360 nan 0.000 0.450 267 D N 0.264 120.665 120.400 0.001 0.000 2.117 267 D HA -0.148 4.493 4.640 0.003 0.000 0.197 267 D C 2.052 178.350 176.300 -0.003 0.000 0.987 267 D CA 0.971 54.971 54.000 -0.000 0.000 0.829 267 D CB -0.242 40.559 40.800 0.002 0.000 0.961 267 D HN 0.308 nan 8.370 nan 0.000 0.460 268 I N 1.209 121.778 120.570 -0.002 0.000 2.163 268 I HA -0.278 3.893 4.170 0.003 0.000 0.243 268 I C 2.482 178.593 176.117 -0.010 0.000 1.085 268 I CA 1.148 62.445 61.300 -0.005 0.000 1.347 268 I CB -0.248 37.752 38.000 -0.001 0.000 1.044 268 I HN -0.071 nan 8.210 nan 0.000 0.408 269 A N -0.201 122.614 122.820 -0.010 0.000 1.908 269 A HA -0.273 4.049 4.320 0.003 0.000 0.218 269 A C 2.494 180.065 177.584 -0.021 0.000 1.181 269 A CA 2.352 54.378 52.037 -0.018 0.000 0.627 269 A CB -0.920 18.069 19.000 -0.018 0.000 0.818 269 A HN 0.425 nan 8.150 nan 0.000 0.445 270 S N -0.684 115.006 115.700 -0.016 0.000 2.353 270 S HA -0.143 4.328 4.470 0.003 0.000 0.222 270 S C 1.926 176.517 174.600 -0.015 0.000 1.035 270 S CA 1.817 60.008 58.200 -0.015 0.000 1.025 270 S CB -0.558 62.636 63.200 -0.010 0.000 0.902 270 S HN 0.314 nan 8.310 nan 0.000 0.440 271 V N 1.460 121.366 119.914 -0.013 0.000 2.343 271 V HA -0.110 4.012 4.120 0.003 0.000 0.247 271 V C 2.532 178.616 176.094 -0.017 0.000 1.051 271 V CA 1.729 64.021 62.300 -0.013 0.000 1.036 271 V CB -0.768 31.048 31.823 -0.011 0.000 0.654 271 V HN 0.428 nan 8.190 nan 0.000 0.451 272 V N -0.254 119.648 119.914 -0.019 0.000 2.332 272 V HA -0.320 3.802 4.120 0.003 0.000 0.248 272 V C 2.462 178.541 176.094 -0.026 0.000 1.055 272 V CA 2.231 64.517 62.300 -0.023 0.000 1.038 272 V CB -0.645 31.162 31.823 -0.026 0.000 0.651 272 V HN 0.540 nan 8.190 nan 0.000 0.450 273 K N -0.531 119.852 120.400 -0.028 0.000 2.062 273 K HA -0.174 4.148 4.320 0.003 0.000 0.205 273 K C 2.261 178.847 176.600 -0.023 0.000 1.051 273 K CA 1.338 57.606 56.287 -0.031 0.000 0.941 273 K CB -0.182 32.296 32.500 -0.036 0.000 0.719 273 K HN 0.522 nan 8.250 nan 0.000 0.440 274 E N 1.028 121.217 120.200 -0.019 0.000 2.085 274 E HA -0.196 4.156 4.350 0.003 0.000 0.194 274 E C 1.605 178.198 176.600 -0.012 0.000 0.994 274 E CA 1.072 57.464 56.400 -0.014 0.000 0.801 274 E CB 0.115 29.808 29.700 -0.011 0.000 0.743 274 E HN 0.252 nan 8.360 nan 0.000 0.453 275 L N -0.923 120.293 121.223 -0.013 0.000 2.554 275 L HA 0.223 4.565 4.340 0.003 0.000 0.225 275 L C 1.311 178.175 176.870 -0.009 0.000 1.104 275 L CA 0.329 55.163 54.840 -0.009 0.000 0.866 275 L CB 0.344 42.398 42.059 -0.009 0.000 1.047 275 L HN 0.351 nan 8.230 nan 0.000 0.468 276 G N 1.424 110.215 108.800 -0.014 0.000 2.221 276 G HA2 -0.254 3.708 3.960 0.003 0.000 0.265 276 G HA3 -0.254 3.708 3.960 0.003 0.000 0.265 276 G C 0.353 175.246 174.900 -0.012 0.000 1.041 276 G CA -0.344 44.747 45.100 -0.014 0.000 0.807 276 G HN 0.166 nan 8.290 nan 0.000 0.502 277 I N 0.752 121.314 120.570 -0.014 0.000 2.845 277 I HA -0.033 4.138 4.170 0.003 0.000 0.296 277 I C 1.328 177.436 176.117 -0.015 0.000 1.216 277 I CA 0.618 61.910 61.300 -0.012 0.000 1.438 277 I CB 0.420 38.410 38.000 -0.017 0.000 1.342 277 I HN 0.199 nan 8.210 nan 0.000 0.577 278 D N 4.534 124.929 120.400 -0.008 0.000 2.234 278 D HA 0.072 4.714 4.640 0.003 0.000 0.205 278 D C 0.938 177.217 176.300 -0.035 0.000 0.962 278 D CA 0.763 54.756 54.000 -0.011 0.000 0.855 278 D CB 0.643 41.450 40.800 0.012 0.000 0.951 278 D HN 0.760 nan 8.370 nan 0.000 0.500 279 G N -0.571 108.204 108.800 -0.042 0.000 2.495 279 G HA2 0.524 4.486 3.960 0.003 0.000 0.294 279 G HA3 0.524 4.486 3.960 0.003 0.000 0.294 279 G C -1.925 172.944 174.900 -0.052 0.000 1.397 279 G CA -0.765 44.297 45.100 -0.065 0.000 0.790 279 G HN 0.022 nan 8.290 nan 0.000 0.486 280 L N 0.068 121.260 121.223 -0.052 0.000 2.381 280 L HA 0.637 4.978 4.340 0.003 0.000 0.268 280 L C -0.489 176.364 176.870 -0.029 0.000 0.997 280 L CA -0.889 53.934 54.840 -0.028 0.000 0.818 280 L CB 2.380 44.432 42.059 -0.012 0.000 1.310 280 L HN 0.351 nan 8.230 nan 0.000 0.416 281 I N 3.042 123.611 120.570 -0.002 0.000 2.362 281 I HA 0.441 4.613 4.170 0.003 0.000 0.289 281 I C -0.915 175.223 176.117 0.034 0.000 0.994 281 I CA -0.735 60.577 61.300 0.020 0.000 1.158 281 I CB 1.893 39.925 38.000 0.053 0.000 1.315 281 I HN 0.177 nan 8.210 nan 0.000 0.451 282 V N 5.023 124.958 119.914 0.035 0.000 2.498 282 V HA 0.426 4.547 4.120 0.003 0.000 0.283 282 V C -0.085 176.034 176.094 0.042 0.000 1.015 282 V CA -0.395 61.927 62.300 0.037 0.000 0.867 282 V CB 1.624 33.466 31.823 0.032 0.000 1.025 282 V HN 0.916 nan 8.190 nan 0.000 0.441 283 T N 0.315 114.897 114.554 0.047 0.000 2.865 283 T HA 0.533 4.885 4.350 0.003 0.000 0.294 283 T C -0.239 174.495 174.700 0.057 0.000 1.119 283 T CA -0.737 61.391 62.100 0.048 0.000 1.007 283 T CB 2.272 71.164 68.868 0.040 0.000 1.225 283 T HN 0.325 nan 8.240 nan 0.000 0.515 284 N N 0.543 119.278 118.700 0.058 0.000 2.290 284 N HA 0.260 5.002 4.740 0.003 0.000 0.269 284 N C 0.413 175.951 175.510 0.047 0.000 1.295 284 N CA 0.306 53.393 53.050 0.062 0.000 0.932 284 N CB 0.768 39.294 38.487 0.066 0.000 1.128 284 N HN 0.967 nan 8.380 nan 0.000 0.532 285 T N -2.480 112.098 114.554 0.040 0.000 2.828 285 T HA 0.165 4.516 4.350 0.003 0.000 0.290 285 T C 0.472 175.183 174.700 0.019 0.000 1.019 285 T CA -0.479 61.636 62.100 0.025 0.000 1.031 285 T CB 0.736 69.614 68.868 0.017 0.000 1.001 285 T HN 0.369 nan 8.240 nan 0.000 0.531 286 T N 0.181 114.743 114.554 0.014 0.000 2.867 286 T HA 0.372 4.724 4.350 0.003 0.000 0.282 286 T C 1.260 175.961 174.700 0.003 0.000 1.000 286 T CA -0.387 61.718 62.100 0.009 0.000 1.042 286 T CB 0.807 69.681 68.868 0.009 0.000 0.973 286 T HN 0.816 nan 8.240 nan 0.000 0.465 287 V N 2.669 122.583 119.914 0.000 0.000 3.461 287 V HA 0.224 4.345 4.120 0.003 0.000 0.267 287 V C 1.180 177.269 176.094 -0.007 0.000 1.186 287 V CA 0.590 62.887 62.300 -0.005 0.000 1.154 287 V CB -1.279 30.540 31.823 -0.006 0.000 0.802 287 V HN 0.832 nan 8.190 nan 0.000 0.474 288 S N 1.354 117.052 115.700 -0.004 0.000 2.608 288 S HA 0.482 4.954 4.470 0.003 0.000 0.261 288 S C 0.210 174.804 174.600 -0.009 0.000 1.314 288 S CA -0.584 57.612 58.200 -0.006 0.000 0.992 288 S CB 0.915 64.113 63.200 -0.002 0.000 0.935 288 S HN 0.499 nan 8.310 nan 0.000 0.564 289 R N 1.828 122.321 120.500 -0.012 0.000 2.513 289 R HA 0.407 4.748 4.340 0.003 0.000 0.283 289 R C -2.926 173.367 176.300 -0.013 0.000 1.535 289 R CA -1.830 54.261 56.100 -0.015 0.000 1.315 289 R CB 0.328 30.614 30.300 -0.023 0.000 1.163 289 R HN 0.588 nan 8.270 nan 0.000 0.573 290 P HA 0.003 nan 4.420 nan 0.000 0.265 290 P C -0.174 177.119 177.300 -0.011 0.000 1.187 290 P CA -0.020 63.075 63.100 -0.008 0.000 0.766 290 P CB 0.554 32.251 31.700 -0.006 0.000 0.820 291 A N 2.384 125.198 122.820 -0.010 0.000 2.531 291 A HA 0.409 4.731 4.320 0.003 0.000 0.236 291 A C 1.503 179.080 177.584 -0.012 0.000 1.062 291 A CA 0.803 52.833 52.037 -0.012 0.000 0.760 291 A CB -0.982 18.012 19.000 -0.010 0.000 0.995 291 A HN 0.946 nan 8.150 nan 0.000 0.501 292 G N 0.818 109.610 108.800 -0.014 0.000 2.218 292 G HA2 -0.168 3.794 3.960 0.003 0.000 0.216 292 G HA3 -0.168 3.794 3.960 0.003 0.000 0.216 292 G C 0.167 175.056 174.900 -0.018 0.000 0.994 292 G CA -0.026 45.065 45.100 -0.015 0.000 0.637 292 G HN 0.825 nan 8.290 nan 0.000 0.505 293 L N 0.956 122.167 121.223 -0.019 0.000 2.499 293 L HA 0.216 4.558 4.340 0.003 0.000 0.273 293 L C 1.617 178.473 176.870 -0.023 0.000 1.195 293 L CA 0.086 54.913 54.840 -0.022 0.000 0.882 293 L CB 0.787 42.833 42.059 -0.022 0.000 1.133 293 L HN 0.124 nan 8.230 nan 0.000 0.483 294 Q N 2.248 122.033 119.800 -0.024 0.000 2.402 294 Q HA 0.151 4.493 4.340 0.003 0.000 0.231 294 Q C 0.909 176.895 176.000 -0.023 0.000 0.888 294 Q CA 0.234 56.023 55.803 -0.023 0.000 0.938 294 Q CB 0.472 29.197 28.738 -0.023 0.000 1.086 294 Q HN 0.814 nan 8.270 nan 0.000 0.543 295 G N 0.766 109.552 108.800 -0.022 0.000 2.321 295 G HA2 0.176 4.137 3.960 0.003 0.000 0.237 295 G HA3 0.176 4.137 3.960 0.003 0.000 0.237 295 G C 1.009 175.893 174.900 -0.027 0.000 1.282 295 G CA 0.502 45.592 45.100 -0.016 0.000 0.886 295 G HN 0.243 nan 8.290 nan 0.000 0.528 296 A N 2.342 125.147 122.820 -0.024 0.000 2.024 296 A HA -0.051 4.271 4.320 0.003 0.000 0.220 296 A C 2.082 179.627 177.584 -0.066 0.000 1.164 296 A CA 1.008 53.023 52.037 -0.037 0.000 0.643 296 A CB -0.166 18.819 19.000 -0.026 0.000 0.806 296 A HN 0.628 nan 8.150 nan 0.000 0.451 297 L N -0.162 121.017 121.223 -0.074 0.000 2.629 297 L HA 0.050 4.392 4.340 0.003 0.000 0.230 297 L C 2.260 179.031 176.870 -0.164 0.000 1.151 297 L CA 0.280 55.027 54.840 -0.155 0.000 0.924 297 L CB -0.302 41.668 42.059 -0.149 0.000 1.137 297 L HN 0.538 nan 8.230 nan 0.000 0.457 298 R N -0.879 119.562 120.500 -0.099 0.000 2.152 298 R HA -0.068 4.274 4.340 0.003 0.000 0.232 298 R C 1.340 177.583 176.300 -0.095 0.000 1.117 298 R CA 1.365 57.418 56.100 -0.078 0.000 0.981 298 R CB -0.469 29.800 30.300 -0.051 0.000 0.870 298 R HN 0.103 nan 8.270 nan 0.000 0.451 299 S N 0.667 116.297 115.700 -0.117 0.000 2.597 299 S HA 0.104 4.576 4.470 0.003 0.000 0.224 299 S C -0.364 174.142 174.600 -0.157 0.000 0.955 299 S CA -0.330 57.803 58.200 -0.112 0.000 0.933 299 S CB 0.140 63.287 63.200 -0.089 0.000 0.788 299 S HN 0.266 nan 8.310 nan 0.000 0.488 300 E N 2.569 122.621 120.200 -0.246 0.000 2.413 300 E HA 0.048 4.400 4.350 0.003 0.000 0.263 300 E C 0.080 176.577 176.600 -0.172 0.000 1.015 300 E CA 0.359 56.561 56.400 -0.330 0.000 0.916 300 E CB 0.409 29.677 29.700 -0.719 0.000 0.947 300 E HN 0.073 nan 8.360 nan 0.000 0.440 301 T N 1.769 116.252 114.554 -0.118 0.000 2.902 301 T HA 0.433 4.785 4.350 0.003 0.000 0.301 301 T C 0.418 175.113 174.700 -0.008 0.000 1.012 301 T CA 0.657 62.727 62.100 -0.050 0.000 1.151 301 T CB 0.556 69.405 68.868 -0.032 0.000 0.946 301 T HN 0.660 nan 8.240 nan 0.000 0.542 302 G N 1.587 110.383 108.800 -0.007 0.000 2.362 302 G HA2 0.428 4.389 3.960 0.003 0.000 0.288 302 G HA3 0.428 4.389 3.960 0.003 0.000 0.288 302 G C -0.448 174.453 174.900 0.002 0.000 1.305 302 G CA -0.516 44.589 45.100 0.008 0.000 0.910 302 G HN 0.859 nan 8.290 nan 0.000 0.518 303 G N -0.926 107.878 108.800 0.006 0.000 2.356 303 G HA2 0.673 4.635 3.960 0.003 0.000 0.298 303 G HA3 0.673 4.635 3.960 0.003 0.000 0.298 303 G C -0.577 174.328 174.900 0.007 0.000 1.145 303 G CA -0.230 44.872 45.100 0.004 0.000 0.850 303 G HN 1.222 nan 8.290 nan 0.000 0.487 304 L N 2.661 123.888 121.223 0.005 0.000 2.307 304 L HA 0.716 5.057 4.340 0.003 0.000 0.282 304 L C 0.497 177.370 176.870 0.006 0.000 1.051 304 L CA -0.169 54.675 54.840 0.007 0.000 0.804 304 L CB 1.584 43.646 42.059 0.005 0.000 1.197 304 L HN 0.648 nan 8.230 nan 0.000 0.431 305 S N 2.799 118.501 115.700 0.003 0.000 2.704 305 S HA 1.030 5.502 4.470 0.003 0.000 0.296 305 S C 0.031 174.647 174.600 0.027 0.000 1.138 305 S CA -0.205 57.996 58.200 0.002 0.000 0.875 305 S CB 1.251 64.425 63.200 -0.044 0.000 1.151 305 S HN 1.758 nan 8.310 nan 0.000 0.500 306 G N 1.264 110.090 108.800 0.042 0.000 2.568 306 G HA2 -0.207 3.755 3.960 0.003 0.000 0.222 306 G HA3 -0.207 3.755 3.960 0.003 0.000 0.222 306 G C 0.359 175.290 174.900 0.052 0.000 1.321 306 G CA 0.209 45.353 45.100 0.073 0.000 0.893 306 G HN 0.896 nan 8.290 nan 0.000 0.569 307 K N 0.859 121.283 120.400 0.040 0.000 2.074 307 K HA -0.092 4.229 4.320 0.003 0.000 0.209 307 K C -0.183 176.427 176.600 0.017 0.000 1.048 307 K CA 2.171 58.475 56.287 0.029 0.000 0.926 307 K CB -0.816 31.692 32.500 0.014 0.000 0.713 307 K HN 0.308 nan 8.250 nan 0.000 0.444 308 P HA -0.123 nan 4.420 nan 0.000 0.225 308 P C 0.968 178.275 177.300 0.011 0.000 1.148 308 P CA 0.701 63.804 63.100 0.005 0.000 0.779 308 P CB 0.115 31.815 31.700 -0.000 0.000 0.780 309 L N -0.714 120.520 121.223 0.018 0.000 2.341 309 L HA 0.113 4.455 4.340 0.003 0.000 0.214 309 L C 2.354 179.238 176.870 0.023 0.000 1.115 309 L CA 1.218 56.070 54.840 0.020 0.000 0.820 309 L CB -0.742 41.332 42.059 0.025 0.000 0.944 309 L HN -0.253 nan 8.230 nan 0.000 0.452 310 R N -0.192 120.324 120.500 0.026 0.000 2.115 310 R HA -0.224 4.117 4.340 0.003 0.000 0.239 310 R C 1.577 177.890 176.300 0.021 0.000 1.133 310 R CA 2.445 58.562 56.100 0.029 0.000 0.935 310 R CB -0.311 30.007 30.300 0.030 0.000 0.853 310 R HN 0.371 nan 8.270 nan 0.000 0.433 311 D N 0.086 120.496 120.400 0.016 0.000 2.234 311 D HA -0.096 4.546 4.640 0.003 0.000 0.205 311 D C 1.704 178.011 176.300 0.012 0.000 0.962 311 D CA 0.426 54.433 54.000 0.011 0.000 0.855 311 D CB -0.113 40.691 40.800 0.006 0.000 0.951 311 D HN 0.149 nan 8.370 nan 0.000 0.500 312 L N 0.562 121.793 121.223 0.014 0.000 2.042 312 L HA -0.150 4.191 4.340 0.003 0.000 0.210 312 L C 2.044 178.926 176.870 0.020 0.000 1.076 312 L CA 1.604 56.453 54.840 0.015 0.000 0.749 312 L CB -0.627 41.441 42.059 0.014 0.000 0.893 312 L HN -0.133 nan 8.230 nan 0.000 0.432 313 S N -1.107 114.606 115.700 0.023 0.000 2.356 313 S HA -0.196 4.276 4.470 0.003 0.000 0.223 313 S C 1.802 176.417 174.600 0.025 0.000 1.032 313 S CA 1.789 60.006 58.200 0.027 0.000 1.005 313 S CB -0.606 62.613 63.200 0.032 0.000 0.867 313 S HN 0.605 nan 8.310 nan 0.000 0.449 314 T N 2.404 116.970 114.554 0.020 0.000 2.720 314 T HA -0.120 4.232 4.350 0.003 0.000 0.268 314 T C 1.933 176.645 174.700 0.019 0.000 1.037 314 T CA 1.116 63.225 62.100 0.014 0.000 1.144 314 T CB -0.300 68.571 68.868 0.006 0.000 0.864 314 T HN 0.325 nan 8.240 nan 0.000 0.444 315 Q N 0.532 120.343 119.800 0.019 0.000 2.167 315 Q HA -0.055 4.287 4.340 0.003 0.000 0.202 315 Q C 2.599 178.622 176.000 0.038 0.000 0.970 315 Q CA 1.310 57.126 55.803 0.023 0.000 0.855 315 Q CB -0.735 28.012 28.738 0.016 0.000 0.911 315 Q HN 0.542 nan 8.270 nan 0.000 0.438 316 T N 1.667 116.243 114.554 0.036 0.000 2.777 316 T HA -0.075 4.277 4.350 0.003 0.000 0.266 316 T C 2.076 176.810 174.700 0.056 0.000 1.040 316 T CA 0.874 62.999 62.100 0.042 0.000 1.141 316 T CB -0.229 68.660 68.868 0.035 0.000 0.868 316 T HN 0.182 nan 8.240 nan 0.000 0.444 317 I N 0.772 121.374 120.570 0.053 0.000 2.151 317 I HA -0.241 3.931 4.170 0.003 0.000 0.243 317 I C 2.866 179.053 176.117 0.116 0.000 1.080 317 I CA 1.436 62.774 61.300 0.064 0.000 1.339 317 I CB -0.368 37.651 38.000 0.033 0.000 1.039 317 I HN 0.127 nan 8.210 nan 0.000 0.409 318 R N 0.658 121.230 120.500 0.120 0.000 2.083 318 R HA -0.259 4.082 4.340 0.003 0.000 0.237 318 R C 2.302 178.760 176.300 0.263 0.000 1.137 318 R CA 2.125 58.353 56.100 0.214 0.000 0.951 318 R CB -0.150 30.203 30.300 0.087 0.000 0.851 318 R HN 0.248 nan 8.270 nan 0.000 0.434 319 E N 0.057 120.348 120.200 0.151 0.000 2.051 319 E HA -0.170 4.182 4.350 0.003 0.000 0.192 319 E C 1.904 178.573 176.600 0.115 0.000 0.991 319 E CA 1.566 58.042 56.400 0.127 0.000 0.799 319 E CB -0.039 29.706 29.700 0.074 0.000 0.748 319 E HN 0.175 nan 8.360 nan 0.000 0.449 320 M N -0.368 119.290 119.600 0.098 0.000 2.149 320 M HA -0.153 4.328 4.480 0.003 0.000 0.261 320 M C 2.139 178.477 176.300 0.062 0.000 1.064 320 M CA 1.413 56.752 55.300 0.065 0.000 1.102 320 M CB -1.247 31.384 32.600 0.052 0.000 1.369 320 M HN 0.263 nan 8.290 nan 0.000 0.408 321 Y N 1.009 121.280 120.300 -0.049 0.000 2.145 321 Y HA -0.171 4.381 4.550 0.004 0.000 0.286 321 Y C 2.428 178.224 175.900 -0.172 0.000 1.145 321 Y CA 2.130 60.139 58.100 -0.151 0.000 1.148 321 Y CB -0.348 37.954 38.460 -0.263 0.000 0.981 321 Y HN 0.210 nan 8.280 nan 0.000 0.507 322 A N 0.090 122.943 122.820 0.055 0.000 1.877 322 A HA -0.160 4.162 4.320 0.003 0.000 0.216 322 A C 2.244 179.805 177.584 -0.039 0.000 1.186 322 A CA 1.812 53.867 52.037 0.030 0.000 0.620 322 A CB -1.171 17.950 19.000 0.201 0.000 0.822 322 A HN 0.537 nan 8.150 nan 0.000 0.443 323 L N -0.004 121.211 121.223 -0.013 0.000 2.191 323 L HA -0.116 4.226 4.340 0.003 0.000 0.212 323 L C 2.349 179.178 176.870 -0.068 0.000 1.103 323 L CA 1.610 56.434 54.840 -0.027 0.000 0.769 323 L CB -0.468 41.588 42.059 -0.005 0.000 0.908 323 L HN 0.644 nan 8.230 nan 0.000 0.438 324 T N -5.193 109.292 114.554 -0.116 0.000 3.105 324 T HA 0.143 4.495 4.350 0.003 0.000 0.253 324 T C 0.697 175.263 174.700 -0.224 0.000 1.047 324 T CA -0.293 61.719 62.100 -0.148 0.000 0.944 324 T CB 0.394 69.180 68.868 -0.136 0.000 1.016 324 T HN 0.159 nan 8.240 nan 0.000 0.544 325 Q N 0.304 119.949 119.800 -0.259 0.000 2.480 325 Q HA -0.145 4.197 4.340 0.003 0.000 0.265 325 Q C 1.254 176.977 176.000 -0.462 0.000 1.072 325 Q CA 1.139 56.772 55.803 -0.284 0.000 1.018 325 Q CB -2.258 26.381 28.738 -0.164 0.000 1.433 325 Q HN 1.121 nan 8.270 nan 0.000 0.513 326 G N -0.911 107.374 108.800 -0.858 0.000 2.166 326 G HA2 -0.412 3.549 3.960 0.003 0.000 0.260 326 G HA3 -0.412 3.549 3.960 0.003 0.000 0.260 326 G C 0.643 175.257 174.900 -0.477 0.000 0.986 326 G CA 0.628 45.002 45.100 -1.209 0.000 0.683 326 G HN 0.455 nan 8.290 nan 0.000 0.527 327 R N -1.020 119.289 120.500 -0.318 0.000 2.334 327 R HA 0.326 4.668 4.340 0.003 0.000 0.216 327 R C 0.174 176.400 176.300 -0.124 0.000 0.905 327 R CA 0.353 56.351 56.100 -0.170 0.000 1.064 327 R CB 0.945 31.166 30.300 -0.132 0.000 1.046 327 R HN 0.310 nan 8.270 nan 0.000 0.508 328 V N 3.122 122.954 119.914 -0.136 0.000 2.376 328 V HA 0.260 4.382 4.120 0.003 0.000 0.287 328 V C -2.334 173.725 176.094 -0.059 0.000 1.015 328 V CA -2.343 59.907 62.300 -0.085 0.000 0.834 328 V CB 1.775 33.551 31.823 -0.078 0.000 1.001 328 V HN -0.039 nan 8.190 nan 0.000 0.428 329 P HA 0.214 nan 4.420 nan 0.000 0.264 329 P C -0.631 176.632 177.300 -0.062 0.000 1.183 329 P CA 0.390 63.453 63.100 -0.060 0.000 0.763 329 P CB 0.517 32.155 31.700 -0.102 0.000 0.807 330 I N 3.402 123.945 120.570 -0.046 0.000 2.465 330 I HA 0.360 4.532 4.170 0.003 0.000 0.291 330 I C 0.093 176.160 176.117 -0.083 0.000 1.014 330 I CA -0.745 60.531 61.300 -0.040 0.000 1.093 330 I CB 1.617 39.631 38.000 0.023 0.000 1.267 330 I HN 0.118 nan 8.210 nan 0.000 0.431 331 I N 5.108 125.630 120.570 -0.080 0.000 2.304 331 I HA 0.342 4.514 4.170 0.003 0.000 0.291 331 I C 0.694 176.818 176.117 0.013 0.000 1.018 331 I CA -0.279 60.992 61.300 -0.049 0.000 1.260 331 I CB 1.211 39.188 38.000 -0.037 0.000 1.390 331 I HN 0.628 nan 8.210 nan 0.000 0.475 332 G N 6.081 114.894 108.800 0.021 0.000 2.338 332 G HA2 0.595 4.556 3.960 0.003 0.000 0.298 332 G HA3 0.595 4.556 3.960 0.003 0.000 0.298 332 G C -0.662 174.270 174.900 0.054 0.000 1.140 332 G CA -0.213 44.905 45.100 0.029 0.000 0.860 332 G HN 0.399 nan 8.290 nan 0.000 0.470 333 V N 0.495 120.442 119.914 0.055 0.000 2.932 333 V HA 0.955 5.077 4.120 0.003 0.000 0.307 333 V C 0.232 176.361 176.094 0.059 0.000 1.147 333 V CA -0.211 62.129 62.300 0.066 0.000 0.951 333 V CB 1.490 33.358 31.823 0.076 0.000 1.031 333 V HN 1.782 nan 8.190 nan 0.000 0.426 334 G N 1.334 110.172 108.800 0.063 0.000 2.897 334 G HA2 0.533 4.495 3.960 0.003 0.000 0.392 334 G HA3 0.533 4.495 3.960 0.003 0.000 0.392 334 G C 0.492 175.426 174.900 0.057 0.000 1.263 334 G CA -0.033 45.100 45.100 0.056 0.000 1.185 334 G HN 2.275 nan 8.290 nan 0.000 0.573 335 G N -0.568 108.272 108.800 0.067 0.000 2.160 335 G HA2 0.007 3.969 3.960 0.003 0.000 0.251 335 G HA3 0.007 3.969 3.960 0.003 0.000 0.251 335 G C 0.551 175.500 174.900 0.082 0.000 1.008 335 G CA 0.600 45.744 45.100 0.072 0.000 0.724 335 G HN 1.823 nan 8.290 nan 0.000 0.514 336 V N 1.421 121.389 119.914 0.089 0.000 2.427 336 V HA 0.511 4.632 4.120 0.003 0.000 0.268 336 V C 1.240 177.408 176.094 0.122 0.000 1.046 336 V CA 0.995 63.347 62.300 0.088 0.000 0.970 336 V CB 1.260 33.130 31.823 0.079 0.000 1.001 336 V HN 0.980 nan 8.190 nan 0.000 0.476 337 S N 1.836 117.607 115.700 0.120 0.000 2.787 337 S HA 0.281 4.753 4.470 0.003 0.000 0.255 337 S C 0.331 174.972 174.600 0.068 0.000 1.051 337 S CA 0.235 58.537 58.200 0.169 0.000 1.124 337 S CB 0.497 63.883 63.200 0.309 0.000 1.104 337 S HN 0.888 nan 8.310 nan 0.000 0.623 338 S N -0.861 114.855 115.700 0.026 0.000 2.638 338 S HA 0.736 5.208 4.470 0.003 0.000 0.274 338 S C 1.112 175.699 174.600 -0.021 0.000 1.157 338 S CA -0.215 57.972 58.200 -0.022 0.000 0.826 338 S CB 0.656 63.836 63.200 -0.034 0.000 1.139 338 S HN 0.321 nan 8.310 nan 0.000 0.474 339 G N 0.321 109.097 108.800 -0.040 0.000 2.440 339 G HA2 -0.220 3.741 3.960 0.003 0.000 0.218 339 G HA3 -0.220 3.741 3.960 0.003 0.000 0.218 339 G C 1.160 176.051 174.900 -0.014 0.000 1.154 339 G CA 1.216 46.297 45.100 -0.031 0.000 0.767 339 G HN 0.850 nan 8.290 nan 0.000 0.552 340 Q N 0.182 119.976 119.800 -0.011 0.000 2.050 340 Q HA -0.151 4.190 4.340 0.003 0.000 0.202 340 Q C 2.018 178.017 176.000 -0.001 0.000 0.980 340 Q CA 1.758 57.559 55.803 -0.003 0.000 0.840 340 Q CB -0.156 28.580 28.738 -0.004 0.000 0.898 340 Q HN 0.366 nan 8.270 nan 0.000 0.424 341 D N 0.458 120.859 120.400 0.003 0.000 2.116 341 D HA -0.191 4.450 4.640 0.003 0.000 0.193 341 D C 1.770 178.075 176.300 0.008 0.000 0.998 341 D CA 1.564 55.571 54.000 0.012 0.000 0.836 341 D CB -0.435 40.382 40.800 0.028 0.000 0.951 341 D HN 0.438 nan 8.370 nan 0.000 0.449 342 A N 0.746 123.570 122.820 0.005 0.000 1.883 342 A HA -0.156 4.166 4.320 0.003 0.000 0.217 342 A C 2.185 179.757 177.584 -0.020 0.000 1.186 342 A CA 1.219 53.257 52.037 0.001 0.000 0.624 342 A CB -0.824 18.177 19.000 0.001 0.000 0.822 342 A HN 0.241 nan 8.150 nan 0.000 0.444 343 L N 0.113 121.321 121.223 -0.024 0.000 2.141 343 L HA -0.112 4.230 4.340 0.003 0.000 0.209 343 L C 2.163 179.003 176.870 -0.049 0.000 1.094 343 L CA 2.131 56.944 54.840 -0.046 0.000 0.763 343 L CB -0.647 41.399 42.059 -0.021 0.000 0.908 343 L HN 0.518 nan 8.230 nan 0.000 0.437 344 E N -0.547 119.637 120.200 -0.026 0.000 2.077 344 E HA -0.259 4.093 4.350 0.003 0.000 0.193 344 E C 2.113 178.690 176.600 -0.039 0.000 0.989 344 E CA 1.422 57.806 56.400 -0.026 0.000 0.800 344 E CB -0.069 29.624 29.700 -0.012 0.000 0.746 344 E HN 0.517 nan 8.360 nan 0.000 0.452 345 K N 0.408 120.788 120.400 -0.034 0.000 2.057 345 K HA -0.090 4.232 4.320 0.003 0.000 0.206 345 K C 2.175 178.728 176.600 -0.078 0.000 1.050 345 K CA 0.861 57.125 56.287 -0.038 0.000 0.935 345 K CB -0.074 32.417 32.500 -0.015 0.000 0.715 345 K HN 0.090 nan 8.250 nan 0.000 0.439 346 I N 0.920 121.435 120.570 -0.092 0.000 2.163 346 I HA -0.299 3.872 4.170 0.003 0.000 0.243 346 I C 2.360 178.362 176.117 -0.191 0.000 1.085 346 I CA 1.372 62.586 61.300 -0.143 0.000 1.347 346 I CB -0.189 37.721 38.000 -0.150 0.000 1.044 346 I HN 0.113 nan 8.210 nan 0.000 0.408 347 R N 0.530 120.930 120.500 -0.166 0.000 2.148 347 R HA -0.067 4.275 4.340 0.003 0.000 0.227 347 R C 2.226 178.454 176.300 -0.121 0.000 1.103 347 R CA 1.191 57.202 56.100 -0.148 0.000 0.983 347 R CB -0.314 29.937 30.300 -0.082 0.000 0.874 347 R HN 0.372 nan 8.270 nan 0.000 0.451 348 A N -0.261 122.492 122.820 -0.112 0.000 2.119 348 A HA 0.114 4.436 4.320 0.003 0.000 0.216 348 A C 1.495 178.986 177.584 -0.155 0.000 1.152 348 A CA 1.364 53.366 52.037 -0.058 0.000 0.708 348 A CB 0.173 19.155 19.000 -0.029 0.000 0.805 348 A HN 0.464 nan 8.150 nan 0.000 0.460 349 G N -2.902 105.652 108.800 -0.411 0.000 2.613 349 G HA2 0.286 4.248 3.960 0.003 0.000 0.199 349 G HA3 0.286 4.248 3.960 0.003 0.000 0.199 349 G C 0.282 175.000 174.900 -0.303 0.000 0.991 349 G CA 0.007 44.600 45.100 -0.845 0.000 0.756 349 G HN 1.239 nan 8.290 nan 0.000 0.515 350 A N 0.774 123.489 122.820 -0.174 0.000 2.409 350 A HA 0.729 5.051 4.320 0.003 0.000 0.262 350 A C 1.368 178.882 177.584 -0.116 0.000 1.113 350 A CA 1.026 53.005 52.037 -0.098 0.000 0.790 350 A CB 0.762 19.724 19.000 -0.064 0.000 1.046 350 A HN 0.644 nan 8.150 nan 0.000 0.496 351 S N 1.242 116.872 115.700 -0.116 0.000 2.446 351 S HA 0.222 4.694 4.470 0.003 0.000 0.225 351 S C 0.450 174.932 174.600 -0.197 0.000 1.016 351 S CA 0.621 58.730 58.200 -0.153 0.000 0.943 351 S CB -0.336 62.758 63.200 -0.176 0.000 0.786 351 S HN 0.597 nan 8.310 nan 0.000 0.508 352 L N 0.504 121.614 121.223 -0.188 0.000 2.409 352 L HA 0.685 5.026 4.340 0.003 0.000 0.255 352 L C -0.889 175.999 176.870 0.030 0.000 1.027 352 L CA -1.067 53.692 54.840 -0.135 0.000 0.834 352 L CB 2.134 43.948 42.059 -0.409 0.000 1.426 352 L HN -0.043 nan 8.230 nan 0.000 0.411 353 V N -1.319 118.694 119.914 0.164 0.000 3.074 353 V HA 0.721 4.842 4.120 0.003 0.000 0.314 353 V C -1.103 175.111 176.094 0.200 0.000 1.117 353 V CA -0.533 61.857 62.300 0.150 0.000 1.014 353 V CB 2.040 33.914 31.823 0.085 0.000 1.057 353 V HN 0.876 nan 8.190 nan 0.000 0.438 354 Q N 1.229 121.096 119.800 0.112 0.000 2.495 354 Q HA 0.852 5.193 4.340 0.003 0.000 0.287 354 Q C -1.561 174.473 176.000 0.057 0.000 1.078 354 Q CA -0.863 54.952 55.803 0.020 0.000 0.793 354 Q CB 2.804 31.531 28.738 -0.018 0.000 1.459 354 Q HN 0.909 nan 8.270 nan 0.000 0.422 355 L N -2.505 118.751 121.223 0.054 0.000 2.415 355 L HA 0.581 4.922 4.340 0.003 0.000 0.256 355 L C -0.916 176.035 176.870 0.136 0.000 1.010 355 L CA -0.482 54.431 54.840 0.121 0.000 0.826 355 L CB 1.376 43.535 42.059 0.167 0.000 1.405 355 L HN 0.873 nan 8.230 nan 0.000 0.410 356 Y N -0.359 119.948 120.300 0.011 0.000 3.260 356 Y HA 0.006 4.558 4.550 0.002 0.000 0.202 356 Y C 1.592 177.504 175.900 0.021 0.000 0.962 356 Y CA 0.482 58.578 58.100 -0.007 0.000 1.582 356 Y CB 0.867 39.326 38.460 -0.001 0.000 1.478 356 Y HN 0.678 nan 8.280 nan 0.000 0.384 357 T N 1.924 116.530 114.554 0.086 0.000 2.737 357 T HA -0.220 4.132 4.350 0.003 0.000 0.269 357 T C 1.820 176.560 174.700 0.067 0.000 1.040 357 T CA 1.484 63.552 62.100 -0.054 0.000 1.142 357 T CB -0.586 68.267 68.868 -0.025 0.000 0.861 357 T HN 0.508 nan 8.240 nan 0.000 0.456 358 A N 1.212 124.131 122.820 0.164 0.000 1.940 358 A HA -0.074 4.248 4.320 0.003 0.000 0.219 358 A C 2.204 179.867 177.584 0.131 0.000 1.176 358 A CA 1.282 53.445 52.037 0.209 0.000 0.631 358 A CB -0.853 18.337 19.000 0.317 0.000 0.814 358 A HN 0.393 nan 8.150 nan 0.000 0.446 359 L N 0.405 121.715 121.223 0.144 0.000 2.079 359 L HA -0.150 4.191 4.340 0.003 0.000 0.210 359 L C 2.852 179.739 176.870 0.028 0.000 1.081 359 L CA 2.639 57.543 54.840 0.107 0.000 0.752 359 L CB -0.817 41.297 42.059 0.091 0.000 0.896 359 L HN 0.641 nan 8.230 nan 0.000 0.433 360 T N -4.524 109.978 114.554 -0.087 0.000 3.035 360 T HA -0.100 4.252 4.350 0.003 0.000 0.268 360 T C 1.564 175.902 174.700 -0.603 0.000 1.109 360 T CA 1.025 62.941 62.100 -0.307 0.000 1.119 360 T CB -0.500 68.090 68.868 -0.465 0.000 0.900 360 T HN 0.285 nan 8.240 nan 0.000 0.503 361 F N -1.210 118.505 119.950 -0.391 0.000 2.500 361 F HA 0.399 4.928 4.527 0.002 0.000 0.285 361 F C 1.626 177.078 175.800 -0.579 0.000 1.088 361 F CA -0.582 56.963 58.000 -0.759 0.000 1.432 361 F CB 0.236 38.372 39.000 -1.440 0.000 1.131 361 F HN 0.164 nan 8.300 nan 0.000 0.582 362 W N 0.243 121.673 121.300 0.217 0.000 2.993 362 W HA 0.484 5.148 4.660 0.007 0.000 0.290 362 W C 1.178 177.778 176.519 0.134 0.000 1.203 362 W CA 0.247 57.684 57.345 0.152 0.000 1.582 362 W CB -0.009 29.513 29.460 0.104 0.000 1.033 362 W HN 0.094 nan 8.180 nan 0.000 0.594 363 G N 1.322 110.277 108.800 0.258 0.000 2.796 363 G HA2 -0.283 3.678 3.960 0.003 0.000 0.226 363 G HA3 -0.283 3.678 3.960 0.003 0.000 0.226 363 G C -1.706 173.212 174.900 0.031 0.000 1.381 363 G CA -0.441 44.770 45.100 0.184 0.000 0.867 363 G HN -0.081 nan 8.290 nan 0.000 0.552 364 P HA -0.044 nan 4.420 nan 0.000 0.217 364 P C -1.145 176.020 177.300 -0.226 0.000 1.148 364 P CA 2.373 65.373 63.100 -0.166 0.000 0.834 364 P CB -0.489 31.116 31.700 -0.158 0.000 0.783 365 P HA -0.104 nan 4.420 nan 0.000 0.223 365 P C 1.646 178.866 177.300 -0.132 0.000 1.144 365 P CA 0.726 63.697 63.100 -0.215 0.000 0.783 365 P CB -0.408 31.161 31.700 -0.218 0.000 0.771 366 V N -0.442 119.435 119.914 -0.061 0.000 2.594 366 V HA -0.205 3.917 4.120 0.003 0.000 0.253 366 V C 2.071 178.088 176.094 -0.128 0.000 1.069 366 V CA 1.689 63.975 62.300 -0.023 0.000 1.082 366 V CB -0.731 31.189 31.823 0.162 0.000 0.680 366 V HN -0.056 nan 8.190 nan 0.000 0.469 367 V N 0.649 120.422 119.914 -0.236 0.000 2.261 367 V HA -0.139 3.983 4.120 0.003 0.000 0.246 367 V C 2.722 178.606 176.094 -0.350 0.000 1.047 367 V CA 2.174 64.245 62.300 -0.382 0.000 1.015 367 V CB -1.600 29.809 31.823 -0.691 0.000 0.642 367 V HN 0.600 nan 8.190 nan 0.000 0.446 368 G N -0.507 108.106 108.800 -0.312 0.000 2.418 368 G HA2 -0.305 3.657 3.960 0.003 0.000 0.217 368 G HA3 -0.305 3.657 3.960 0.003 0.000 0.217 368 G C 1.645 176.293 174.900 -0.421 0.000 1.158 368 G CA 1.110 45.985 45.100 -0.375 0.000 0.771 368 G HN 0.479 nan 8.290 nan 0.000 0.545 369 K N 0.111 120.360 120.400 -0.253 0.000 2.009 369 K HA -0.094 4.227 4.320 0.003 0.000 0.210 369 K C 2.604 179.077 176.600 -0.213 0.000 1.049 369 K CA 1.640 57.809 56.287 -0.197 0.000 0.929 369 K CB -0.404 32.009 32.500 -0.145 0.000 0.714 369 K HN 0.179 nan 8.250 nan 0.000 0.440 370 V N 1.890 121.688 119.914 -0.194 0.000 2.287 370 V HA -0.285 3.836 4.120 0.003 0.000 0.248 370 V C 2.282 178.253 176.094 -0.206 0.000 1.053 370 V CA 2.040 64.249 62.300 -0.152 0.000 1.027 370 V CB -0.442 31.323 31.823 -0.096 0.000 0.646 370 V HN 0.385 nan 8.190 nan 0.000 0.447 371 K N -0.309 119.876 120.400 -0.358 0.000 2.057 371 K HA -0.192 4.129 4.320 0.003 0.000 0.207 371 K C 2.409 178.739 176.600 -0.450 0.000 1.049 371 K CA 1.553 57.571 56.287 -0.449 0.000 0.931 371 K CB -0.276 31.785 32.500 -0.730 0.000 0.714 371 K HN 0.340 nan 8.250 nan 0.000 0.440 372 R N 1.769 121.901 120.500 -0.613 0.000 2.073 372 R HA -0.163 4.179 4.340 0.003 0.000 0.234 372 R C 1.790 178.065 176.300 -0.042 0.000 1.134 372 R CA 1.699 57.696 56.100 -0.171 0.000 0.952 372 R CB 0.003 30.257 30.300 -0.077 0.000 0.850 372 R HN 0.225 nan 8.270 nan 0.000 0.433 373 E N 0.384 120.531 120.200 -0.089 0.000 2.077 373 E HA -0.211 4.141 4.350 0.003 0.000 0.193 373 E C 1.959 178.550 176.600 -0.015 0.000 0.989 373 E CA 1.186 57.561 56.400 -0.041 0.000 0.800 373 E CB -0.122 29.543 29.700 -0.057 0.000 0.746 373 E HN 0.206 nan 8.360 nan 0.000 0.452 374 L N 1.597 122.801 121.223 -0.030 0.000 2.017 374 L HA -0.188 4.153 4.340 0.003 0.000 0.208 374 L C 2.227 179.121 176.870 0.039 0.000 1.073 374 L CA 1.913 56.753 54.840 -0.001 0.000 0.745 374 L CB -0.400 41.650 42.059 -0.015 0.000 0.894 374 L HN 0.074 nan 8.230 nan 0.000 0.432 375 E N -0.549 119.688 120.200 0.062 0.000 2.058 375 E HA -0.279 4.073 4.350 0.003 0.000 0.194 375 E C 2.067 178.722 176.600 0.091 0.000 0.997 375 E CA 1.383 57.846 56.400 0.105 0.000 0.801 375 E CB -0.211 29.596 29.700 0.178 0.000 0.746 375 E HN 0.624 nan 8.360 nan 0.000 0.450 376 A N 0.859 123.725 122.820 0.076 0.000 1.902 376 A HA -0.153 4.169 4.320 0.003 0.000 0.217 376 A C 2.214 179.834 177.584 0.061 0.000 1.181 376 A CA 1.199 53.273 52.037 0.062 0.000 0.623 376 A CB -0.630 18.398 19.000 0.047 0.000 0.818 376 A HN 0.309 nan 8.150 nan 0.000 0.443 377 L N -0.752 120.507 121.223 0.061 0.000 2.093 377 L HA -0.155 4.187 4.340 0.003 0.000 0.208 377 L C 2.545 179.495 176.870 0.134 0.000 1.085 377 L CA 0.867 55.753 54.840 0.077 0.000 0.755 377 L CB -0.498 41.599 42.059 0.063 0.000 0.904 377 L HN 0.370 nan 8.230 nan 0.000 0.435 378 L N -0.335 120.978 121.223 0.151 0.000 2.012 378 L HA -0.260 4.081 4.340 0.003 0.000 0.210 378 L C 2.674 179.667 176.870 0.204 0.000 1.073 378 L CA 1.536 56.529 54.840 0.254 0.000 0.748 378 L CB -0.489 41.677 42.059 0.179 0.000 0.891 378 L HN 0.207 nan 8.230 nan 0.000 0.431 379 K N -0.174 120.297 120.400 0.118 0.000 2.026 379 K HA -0.256 4.065 4.320 0.003 0.000 0.208 379 K C 2.060 178.681 176.600 0.034 0.000 1.048 379 K CA 1.736 58.064 56.287 0.069 0.000 0.929 379 K CB -0.213 32.320 32.500 0.055 0.000 0.713 379 K HN 0.295 nan 8.250 nan 0.000 0.439 380 E N 1.230 121.454 120.200 0.039 0.000 2.118 380 E HA -0.228 4.123 4.350 0.003 0.000 0.195 380 E C 1.391 177.980 176.600 -0.019 0.000 0.992 380 E CA 1.274 57.682 56.400 0.013 0.000 0.804 380 E CB 0.180 29.895 29.700 0.024 0.000 0.741 380 E HN 0.313 nan 8.360 nan 0.000 0.458 381 Q N -1.183 118.608 119.800 -0.014 0.000 2.280 381 Q HA 0.146 4.488 4.340 0.003 0.000 0.201 381 Q C 0.668 176.414 176.000 -0.424 0.000 0.890 381 Q CA 0.327 56.045 55.803 -0.141 0.000 0.947 381 Q CB 1.055 29.804 28.738 0.019 0.000 1.081 381 Q HN 0.461 nan 8.270 nan 0.000 0.502 382 G N 0.935 109.584 108.800 -0.251 0.000 2.143 382 G HA2 -0.284 3.678 3.960 0.003 0.000 0.248 382 G HA3 -0.284 3.678 3.960 0.003 0.000 0.248 382 G C -0.197 174.533 174.900 -0.283 0.000 0.991 382 G CA -0.196 44.751 45.100 -0.255 0.000 0.689 382 G HN 0.323 nan 8.290 nan 0.000 0.522 383 F N 0.407 120.363 119.950 0.011 0.000 2.410 383 F HA 0.502 5.030 4.527 0.002 0.000 0.348 383 F C 1.828 177.638 175.800 0.016 0.000 1.106 383 F CA 0.157 58.165 58.000 0.013 0.000 1.163 383 F CB 1.380 40.387 39.000 0.012 0.000 1.129 383 F HN -0.009 nan 8.300 nan 0.000 0.516 384 G N 1.882 110.802 108.800 0.201 0.000 2.422 384 G HA2 0.314 4.276 3.960 0.003 0.000 0.218 384 G HA3 0.314 4.276 3.960 0.003 0.000 0.218 384 G C 0.553 175.523 174.900 0.117 0.000 1.140 384 G CA 0.757 45.931 45.100 0.122 0.000 0.775 384 G HN 0.978 nan 8.290 nan 0.000 0.545 385 G N -2.142 106.737 108.800 0.131 0.000 2.548 385 G HA2 0.344 4.306 3.960 0.003 0.000 0.301 385 G HA3 0.344 4.306 3.960 0.003 0.000 0.301 385 G C 0.443 175.365 174.900 0.036 0.000 1.349 385 G CA 0.224 45.375 45.100 0.085 0.000 0.792 385 G HN 0.079 nan 8.290 nan 0.000 0.481 386 V N 0.407 120.323 119.914 0.003 0.000 2.324 386 V HA -0.181 3.941 4.120 0.003 0.000 0.250 386 V C 3.147 179.183 176.094 -0.097 0.000 1.060 386 V CA 2.975 65.236 62.300 -0.065 0.000 1.042 386 V CB -0.932 30.873 31.823 -0.030 0.000 0.650 386 V HN 0.855 nan 8.190 nan 0.000 0.450 387 T N -0.402 114.130 114.554 -0.037 0.000 2.699 387 T HA -0.227 4.125 4.350 0.003 0.000 0.268 387 T C 1.580 176.258 174.700 -0.036 0.000 1.036 387 T CA 1.745 63.827 62.100 -0.030 0.000 1.147 387 T CB -0.419 68.453 68.868 0.006 0.000 0.862 387 T HN 0.548 nan 8.240 nan 0.000 0.446 388 D N 1.225 121.622 120.400 -0.004 0.000 2.264 388 D HA 0.029 4.670 4.640 0.003 0.000 0.208 388 D C 2.114 178.376 176.300 -0.063 0.000 0.966 388 D CA 0.923 54.964 54.000 0.067 0.000 0.864 388 D CB -0.126 40.815 40.800 0.235 0.000 0.933 388 D HN 0.473 nan 8.370 nan 0.000 0.499 389 A N 0.551 123.109 122.820 -0.437 0.000 2.132 389 A HA 0.095 4.417 4.320 0.003 0.000 0.213 389 A C 1.272 178.603 177.584 -0.422 0.000 1.154 389 A CA -0.248 51.227 52.037 -0.938 0.000 0.753 389 A CB -0.160 18.072 19.000 -1.280 0.000 0.826 389 A HN 0.104 nan 8.150 nan 0.000 0.469 390 I N 0.924 121.347 120.570 -0.245 0.000 2.769 390 I HA 0.187 4.359 4.170 0.003 0.000 0.285 390 I C 1.510 177.521 176.117 -0.176 0.000 1.173 390 I CA 1.247 62.434 61.300 -0.188 0.000 1.389 390 I CB -0.209 37.728 38.000 -0.105 0.000 1.404 390 I HN 0.445 nan 8.210 nan 0.000 0.544 391 G N 4.507 113.116 108.800 -0.319 0.000 2.148 391 G HA2 -0.331 3.631 3.960 0.003 0.000 0.254 391 G HA3 -0.331 3.631 3.960 0.003 0.000 0.254 391 G C 1.083 175.971 174.900 -0.021 0.000 0.981 391 G CA 0.386 45.249 45.100 -0.395 0.000 0.670 391 G HN 0.854 nan 8.290 nan 0.000 0.528 392 A N 0.161 122.968 122.820 -0.023 0.000 1.978 392 A HA 0.009 4.331 4.320 0.003 0.000 0.220 392 A C 2.027 179.673 177.584 0.102 0.000 1.170 392 A CA 2.290 54.383 52.037 0.093 0.000 0.636 392 A CB -0.328 18.776 19.000 0.174 0.000 0.810 392 A HN 0.419 nan 8.150 nan 0.000 0.448 393 D N -0.671 119.755 120.400 0.042 0.000 2.178 393 D HA -0.128 4.514 4.640 0.003 0.000 0.201 393 D C 1.486 177.759 176.300 -0.045 0.000 0.980 393 D CA 1.102 55.084 54.000 -0.030 0.000 0.842 393 D CB -0.504 40.212 40.800 -0.140 0.000 0.948 393 D HN 0.659 nan 8.370 nan 0.000 0.472 394 H N -0.190 118.893 119.070 0.023 0.000 2.555 394 H HA 0.159 4.717 4.556 0.003 0.000 0.269 394 H C 1.344 176.720 175.328 0.080 0.000 0.988 394 H CA 0.470 56.565 56.048 0.078 0.000 1.178 394 H CB 0.563 30.434 29.762 0.181 0.000 1.373 394 H HN 0.129 nan 8.280 nan 0.000 0.588 395 R N 1.047 121.646 120.500 0.166 0.000 2.397 395 R HA 0.096 4.437 4.340 0.003 0.000 0.241 395 R C 0.869 177.216 176.300 0.078 0.000 0.914 395 R CA -0.152 56.021 56.100 0.122 0.000 1.071 395 R CB 0.765 31.139 30.300 0.124 0.000 1.116 395 R HN 0.292 nan 8.270 nan 0.000 0.524 396 R N 0.000 120.535 120.500 0.059 0.000 2.786 396 R HA 0.000 4.342 4.340 0.003 0.000 0.208 396 R CA 0.000 56.121 56.100 0.036 0.000 0.921 396 R CB 0.000 30.316 30.300 0.027 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535