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 3g0x_1_A DATA FIRST_RESID 34 DATA SEQUENCE DERFYAEHLM PTLQGLLDPE SAHRLAVRFT SLGLLPXXXF QDSDMLEVRV DATA SEQUENCE LGHKFRNPVG IAAGFDKHGE AVDGLYKMGF GFVEIGSVTP KPQEGNPRPR DATA SEQUENCE VFRLPEDQAV INRYGFNSHG LSVVEHRLRA RQQKQAKLTE DGLPLGVNLG DATA SEQUENCE KNKTSVDAAE DYAEGVRVLG PLADYLVVNV SSPNTAGLRS LQGKAELRRL DATA SEQUENCE LTKVLQERDG LRRVHRPAVL VKIAPDLTSQ DKEDIASVVK ELGIDGLIVT DATA SEQUENCE NTTVSRPAGL QGALRSETGG LSGKPLRDLS TQTIREMYAL TQGRVPIIGV DATA SEQUENCE GGVSSGQDAL EKIRAGASLV QLYTALTFWG PPVVGKVKRE LEALLKEQGF DATA SEQUENCE GGVTDAIGAD HRR 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 34 D HA 0.000 nan 4.640 nan 0.000 0.175 34 D C 0.000 176.531 176.300 0.385 0.000 2.045 34 D CA 0.000 54.201 54.000 0.335 0.000 0.868 34 D CB 0.000 40.960 40.800 0.267 0.000 0.688 35 E N 1.534 121.857 120.200 0.204 0.000 2.033 35 E HA -0.229 4.124 4.350 0.004 0.000 0.199 35 E C 1.789 178.508 176.600 0.198 0.000 1.011 35 E CA 1.434 57.921 56.400 0.146 0.000 0.815 35 E CB 0.232 29.950 29.700 0.030 0.000 0.755 35 E HN 0.319 nan 8.360 nan 0.000 0.451 36 R N -0.348 120.261 120.500 0.182 0.000 2.075 36 R HA -0.144 4.199 4.340 0.004 0.000 0.232 36 R C 2.239 178.683 176.300 0.240 0.000 1.126 36 R CA 1.150 57.347 56.100 0.162 0.000 0.963 36 R CB -0.284 30.097 30.300 0.134 0.000 0.858 36 R HN 0.157 nan 8.270 nan 0.000 0.435 37 F N 0.266 120.336 119.950 0.200 0.000 2.069 37 F HA -0.253 4.276 4.527 0.004 0.000 0.298 37 F C 1.427 177.326 175.800 0.165 0.000 1.113 37 F CA 1.563 59.700 58.000 0.228 0.000 1.214 37 F CB -0.762 38.321 39.000 0.138 0.000 0.978 37 F HN 0.003 nan 8.300 nan 0.000 0.474 38 Y N 0.309 120.509 120.300 -0.168 0.000 2.089 38 Y HA -0.131 4.421 4.550 0.003 0.000 0.282 38 Y C 2.763 178.633 175.900 -0.050 0.000 1.139 38 Y CA 1.912 59.884 58.100 -0.213 0.000 1.123 38 Y CB -1.301 37.154 38.460 -0.010 0.000 0.980 38 Y HN 0.162 nan 8.280 nan 0.000 0.493 39 A N 0.186 123.189 122.820 0.305 0.000 1.892 39 A HA -0.264 4.058 4.320 0.004 0.000 0.218 39 A C 1.949 179.652 177.584 0.198 0.000 1.188 39 A CA 2.425 54.709 52.037 0.411 0.000 0.631 39 A CB -0.604 18.611 19.000 0.358 0.000 0.822 39 A HN 0.616 nan 8.150 nan 0.000 0.447 40 E N -2.694 117.504 120.200 -0.003 0.000 2.307 40 E HA 0.055 4.408 4.350 0.004 0.000 0.195 40 E C 1.537 177.851 176.600 -0.477 0.000 0.975 40 E CA 0.825 57.081 56.400 -0.240 0.000 0.878 40 E CB 0.045 29.534 29.700 -0.353 0.000 0.845 40 E HN 0.874 nan 8.360 nan 0.000 0.488 41 H N 0.001 119.014 119.070 -0.095 0.000 2.247 41 H HA 0.180 4.738 4.556 0.003 0.000 0.267 41 H C 1.951 177.107 175.328 -0.285 0.000 0.952 41 H CA -0.093 55.860 56.048 -0.158 0.000 1.250 41 H CB 0.152 29.879 29.762 -0.058 0.000 1.441 41 H HN -0.108 nan 8.280 nan 0.000 0.553 42 L N 0.291 121.215 121.223 -0.498 0.000 1.989 42 L HA -0.203 4.140 4.340 0.004 0.000 0.211 42 L C 1.820 178.561 176.870 -0.215 0.000 1.071 42 L CA 1.294 55.849 54.840 -0.474 0.000 0.749 42 L CB -0.060 41.467 42.059 -0.887 0.000 0.890 42 L HN 0.292 nan 8.230 nan 0.000 0.431 43 M N -0.616 118.900 119.600 -0.139 0.000 2.099 43 M HA -0.073 4.410 4.480 0.004 0.000 0.262 43 M C -0.034 176.227 176.300 -0.065 0.000 1.067 43 M CA 1.674 56.936 55.300 -0.063 0.000 1.124 43 M CB -2.467 30.129 32.600 -0.007 0.000 1.353 43 M HN 0.103 nan 8.290 nan 0.000 0.410 44 P HA -0.110 nan 4.420 nan 0.000 0.215 44 P C 1.536 178.819 177.300 -0.029 0.000 1.157 44 P CA 1.673 64.755 63.100 -0.030 0.000 0.874 44 P CB -0.339 31.347 31.700 -0.023 0.000 0.790 45 T N 0.086 114.620 114.554 -0.033 0.000 2.674 45 T HA -0.168 4.185 4.350 0.004 0.000 0.265 45 T C 1.751 176.429 174.700 -0.036 0.000 1.039 45 T CA 1.170 63.256 62.100 -0.023 0.000 1.150 45 T CB -1.117 67.741 68.868 -0.015 0.000 0.864 45 T HN 0.019 nan 8.240 nan 0.000 0.427 46 L N 1.064 122.252 121.223 -0.059 0.000 2.043 46 L HA -0.183 4.160 4.340 0.004 0.000 0.212 46 L C 2.511 179.349 176.870 -0.054 0.000 1.075 46 L CA 1.789 56.590 54.840 -0.066 0.000 0.752 46 L CB -0.533 41.472 42.059 -0.090 0.000 0.891 46 L HN 0.275 nan 8.230 nan 0.000 0.432 47 Q N -1.017 118.750 119.800 -0.054 0.000 2.172 47 Q HA -0.085 4.258 4.340 0.004 0.000 0.200 47 Q C 2.070 178.052 176.000 -0.029 0.000 0.964 47 Q CA 1.119 56.892 55.803 -0.050 0.000 0.855 47 Q CB -0.365 28.341 28.738 -0.053 0.000 0.918 47 Q HN 0.716 nan 8.270 nan 0.000 0.444 48 G N 0.543 109.332 108.800 -0.020 0.000 2.430 48 G HA2 -0.124 3.838 3.960 0.004 0.000 0.216 48 G HA3 -0.124 3.838 3.960 0.004 0.000 0.216 48 G C 1.381 176.276 174.900 -0.009 0.000 1.146 48 G CA 0.173 45.268 45.100 -0.009 0.000 0.793 48 G HN 0.136 nan 8.290 nan 0.000 0.537 49 L N -0.649 120.565 121.223 -0.015 0.000 2.162 49 L HA 0.312 4.655 4.340 0.004 0.000 0.205 49 L C 0.800 177.662 176.870 -0.013 0.000 1.086 49 L CA 0.389 55.222 54.840 -0.012 0.000 0.778 49 L CB -0.150 41.902 42.059 -0.012 0.000 0.928 49 L HN 0.074 nan 8.230 nan 0.000 0.446 50 L N -0.066 121.145 121.223 -0.021 0.000 2.342 50 L HA 0.270 4.612 4.340 0.004 0.000 0.271 50 L C -0.419 176.435 176.870 -0.027 0.000 1.008 50 L CA -1.028 53.800 54.840 -0.020 0.000 0.818 50 L CB 1.847 43.893 42.059 -0.021 0.000 1.296 50 L HN 0.103 nan 8.230 nan 0.000 0.427 51 D N 1.890 122.274 120.400 -0.027 0.000 2.378 51 D HA 0.028 4.670 4.640 0.004 0.000 0.238 51 D C -2.123 174.144 176.300 -0.054 0.000 1.180 51 D CA -1.196 52.776 54.000 -0.046 0.000 0.895 51 D CB 1.134 41.902 40.800 -0.054 0.000 1.192 51 D HN 0.225 nan 8.370 nan 0.000 0.438 52 P HA -0.124 nan 4.420 nan 0.000 0.219 52 P C 1.290 178.584 177.300 -0.010 0.000 1.150 52 P CA 1.087 64.139 63.100 -0.079 0.000 0.814 52 P CB 0.156 31.770 31.700 -0.144 0.000 0.787 53 E N 0.129 120.310 120.200 -0.030 0.000 2.077 53 E HA -0.122 4.230 4.350 0.004 0.000 0.193 53 E C 1.892 178.553 176.600 0.103 0.000 0.989 53 E CA 1.359 57.809 56.400 0.084 0.000 0.800 53 E CB -0.193 29.522 29.700 0.024 0.000 0.746 53 E HN 0.076 nan 8.360 nan 0.000 0.452 54 S N 0.396 116.117 115.700 0.036 0.000 2.368 54 S HA -0.140 4.332 4.470 0.004 0.000 0.225 54 S C 2.028 176.643 174.600 0.025 0.000 1.030 54 S CA 0.899 59.114 58.200 0.026 0.000 0.999 54 S CB -0.221 62.983 63.200 0.007 0.000 0.844 54 S HN 0.474 nan 8.310 nan 0.000 0.459 55 A N 1.533 124.368 122.820 0.025 0.000 1.902 55 A HA -0.202 4.120 4.320 0.004 0.000 0.217 55 A C 1.953 179.579 177.584 0.071 0.000 1.181 55 A CA 1.720 53.768 52.037 0.017 0.000 0.623 55 A CB -1.076 17.920 19.000 -0.006 0.000 0.818 55 A HN 0.715 nan 8.150 nan 0.000 0.443 56 H N -0.282 118.802 119.070 0.022 0.000 2.319 56 H HA -0.121 4.438 4.556 0.004 0.000 0.299 56 H C 2.353 177.666 175.328 -0.024 0.000 1.092 56 H CA 1.824 57.898 56.048 0.044 0.000 1.302 56 H CB -0.018 29.785 29.762 0.069 0.000 1.373 56 H HN 0.446 nan 8.280 nan 0.000 0.497 57 R N -0.131 120.225 120.500 -0.239 0.000 2.091 57 R HA -0.141 4.201 4.340 0.004 0.000 0.238 57 R C 2.547 178.764 176.300 -0.137 0.000 1.136 57 R CA 1.352 57.300 56.100 -0.255 0.000 0.959 57 R CB -0.221 30.029 30.300 -0.082 0.000 0.856 57 R HN 0.244 nan 8.270 nan 0.000 0.437 58 L N 0.338 121.534 121.223 -0.045 0.000 2.109 58 L HA -0.000 4.342 4.340 0.004 0.000 0.207 58 L C 2.185 179.092 176.870 0.062 0.000 1.086 58 L CA 1.702 56.563 54.840 0.034 0.000 0.760 58 L CB -0.574 41.491 42.059 0.010 0.000 0.910 58 L HN 0.140 nan 8.230 nan 0.000 0.437 59 A N -1.169 121.661 122.820 0.017 0.000 1.902 59 A HA -0.159 4.163 4.320 0.004 0.000 0.217 59 A C 2.253 179.936 177.584 0.166 0.000 1.181 59 A CA 2.009 54.122 52.037 0.128 0.000 0.623 59 A CB -1.054 18.118 19.000 0.287 0.000 0.818 59 A HN 0.277 nan 8.150 nan 0.000 0.443 60 V N 0.148 119.985 119.914 -0.129 0.000 2.295 60 V HA -0.286 3.836 4.120 0.004 0.000 0.246 60 V C 2.648 178.736 176.094 -0.009 0.000 1.049 60 V CA 2.218 64.378 62.300 -0.233 0.000 1.024 60 V CB -0.861 30.622 31.823 -0.566 0.000 0.648 60 V HN 0.519 nan 8.190 nan 0.000 0.447 61 R N -0.976 119.541 120.500 0.029 0.000 2.080 61 R HA -0.184 4.159 4.340 0.004 0.000 0.236 61 R C 2.279 178.682 176.300 0.171 0.000 1.137 61 R CA 2.025 58.180 56.100 0.092 0.000 0.943 61 R CB -0.653 29.717 30.300 0.118 0.000 0.846 61 R HN 0.406 nan 8.270 nan 0.000 0.431 62 F N 1.017 120.989 119.950 0.037 0.000 2.126 62 F HA -0.209 4.321 4.527 0.004 0.000 0.299 62 F C 2.672 178.520 175.800 0.081 0.000 1.096 62 F CA 1.645 59.683 58.000 0.065 0.000 1.255 62 F CB -0.707 38.346 39.000 0.088 0.000 0.997 62 F HN 0.021 nan 8.300 nan 0.000 0.479 63 T N -0.856 113.890 114.554 0.320 0.000 2.746 63 T HA -0.193 4.160 4.350 0.004 0.000 0.267 63 T C 2.268 177.058 174.700 0.150 0.000 1.039 63 T CA 1.740 63.986 62.100 0.242 0.000 1.142 63 T CB -0.624 68.433 68.868 0.314 0.000 0.866 63 T HN 0.395 nan 8.240 nan 0.000 0.444 64 S N 1.763 117.528 115.700 0.108 0.000 2.423 64 S HA 0.045 4.518 4.470 0.004 0.000 0.231 64 S C 1.878 176.502 174.600 0.040 0.000 1.014 64 S CA 0.646 58.882 58.200 0.060 0.000 0.965 64 S CB -0.760 62.458 63.200 0.030 0.000 0.785 64 S HN 0.471 nan 8.310 nan 0.000 0.495 65 L N 1.385 122.621 121.223 0.022 0.000 2.610 65 L HA 0.264 4.607 4.340 0.004 0.000 0.232 65 L C 1.741 178.613 176.870 0.003 0.000 1.149 65 L CA 0.276 55.107 54.840 -0.016 0.000 0.872 65 L CB -1.087 40.917 42.059 -0.091 0.000 0.992 65 L HN 0.572 nan 8.230 nan 0.000 0.447 66 G N 1.052 109.881 108.800 0.047 0.000 2.249 66 G HA2 -0.294 3.668 3.960 0.004 0.000 0.273 66 G HA3 -0.294 3.668 3.960 0.004 0.000 0.273 66 G C 0.224 175.160 174.900 0.061 0.000 1.036 66 G CA -0.081 45.057 45.100 0.063 0.000 0.824 66 G HN 0.338 nan 8.290 nan 0.000 0.504 67 L N 0.133 121.393 121.223 0.063 0.000 2.422 67 L HA 0.585 4.928 4.340 0.004 0.000 0.256 67 L C 0.388 177.404 176.870 0.243 0.000 1.202 67 L CA -0.200 54.692 54.840 0.087 0.000 1.119 67 L CB -0.216 41.771 42.059 -0.120 0.000 1.383 67 L HN 0.245 nan 8.230 nan 0.000 0.411 68 L N 1.121 122.456 121.223 0.187 0.000 2.582 68 L HA 0.617 4.960 4.340 0.004 0.000 0.257 68 L C -2.193 174.768 176.870 0.152 0.000 0.974 68 L CA -1.768 53.193 54.840 0.201 0.000 0.851 68 L CB 0.713 42.864 42.059 0.153 0.000 1.424 68 L HN 0.083 nan 8.230 nan 0.000 0.412 74 Q N 4.620 124.095 119.800 -0.542 0.000 2.256 74 Q HA 0.294 4.636 4.340 0.004 0.000 0.254 74 Q C -1.055 174.610 176.000 -0.558 0.000 0.916 74 Q CA -0.744 54.840 55.803 -0.365 0.000 0.932 74 Q CB 1.888 30.469 28.738 -0.261 0.000 1.207 74 Q HN 0.467 nan 8.270 nan 0.000 0.426 75 D N 1.910 122.213 120.400 -0.162 0.000 2.348 75 D HA 0.015 4.658 4.640 0.004 0.000 0.253 75 D C 0.355 176.631 176.300 -0.040 0.000 1.161 75 D CA 0.154 54.160 54.000 0.009 0.000 0.876 75 D CB 1.059 41.971 40.800 0.186 0.000 1.160 75 D HN 0.426 nan 8.370 nan 0.000 0.459 76 S N 1.936 117.624 115.700 -0.019 0.000 2.562 76 S HA -0.036 4.437 4.470 0.004 0.000 0.281 76 S C 1.050 175.681 174.600 0.052 0.000 1.333 76 S CA -0.486 57.719 58.200 0.008 0.000 1.052 76 S CB 0.625 63.850 63.200 0.041 0.000 0.884 76 S HN 0.236 nan 8.310 nan 0.000 0.506 77 D N 4.075 124.497 120.400 0.036 0.000 2.239 77 D HA -0.194 4.448 4.640 0.004 0.000 0.202 77 D C 1.674 178.010 176.300 0.061 0.000 0.993 77 D CA 1.471 55.500 54.000 0.048 0.000 0.874 77 D CB -0.152 40.668 40.800 0.034 0.000 0.922 77 D HN 0.678 nan 8.370 nan 0.000 0.464 78 M N 0.051 119.690 119.600 0.065 0.000 2.358 78 M HA -0.092 4.390 4.480 0.004 0.000 0.264 78 M C 1.962 178.310 176.300 0.079 0.000 1.064 78 M CA 0.837 56.181 55.300 0.072 0.000 1.093 78 M CB 0.003 32.650 32.600 0.079 0.000 1.401 78 M HN 0.018 nan 8.290 nan 0.000 0.440 79 L N -0.677 120.605 121.223 0.099 0.000 2.567 79 L HA 0.096 4.439 4.340 0.004 0.000 0.225 79 L C 1.078 178.018 176.870 0.116 0.000 1.119 79 L CA -0.097 54.811 54.840 0.113 0.000 0.871 79 L CB -0.192 41.963 42.059 0.160 0.000 1.036 79 L HN 0.279 nan 8.230 nan 0.000 0.459 80 E N 1.140 121.404 120.200 0.106 0.000 2.373 80 E HA 0.279 4.632 4.350 0.004 0.000 0.267 80 E C -1.198 175.465 176.600 0.105 0.000 1.032 80 E CA -0.119 56.353 56.400 0.119 0.000 0.889 80 E CB 1.264 31.022 29.700 0.097 0.000 0.984 80 E HN -0.147 nan 8.360 nan 0.000 0.425 81 V N 4.422 124.419 119.914 0.139 0.000 2.841 81 V HA 0.381 4.504 4.120 0.004 0.000 0.310 81 V C -0.482 175.709 176.094 0.162 0.000 1.090 81 V CA -0.839 61.517 62.300 0.093 0.000 0.930 81 V CB 1.952 33.775 31.823 -0.001 0.000 1.014 81 V HN 0.704 nan 8.190 nan 0.000 0.425 82 R N 2.541 123.105 120.500 0.106 0.000 2.310 82 R HA 0.836 5.178 4.340 0.004 0.000 0.324 82 R C -1.442 174.916 176.300 0.097 0.000 0.955 82 R CA -0.181 56.002 56.100 0.138 0.000 0.830 82 R CB 1.574 31.921 30.300 0.079 0.000 1.154 82 R HN 0.611 nan 8.270 nan 0.000 0.458 83 V N 5.242 125.255 119.914 0.166 0.000 3.258 83 V HA 0.295 4.417 4.120 0.004 0.000 0.299 83 V C -0.333 175.862 176.094 0.168 0.000 1.376 83 V CA -0.739 61.597 62.300 0.061 0.000 1.063 83 V CB 1.873 33.628 31.823 -0.113 0.000 1.103 83 V HN 0.959 nan 8.190 nan 0.000 0.451 84 L N 3.413 124.684 121.223 0.081 0.000 4.179 84 L HA -0.191 4.152 4.340 0.004 0.000 0.418 84 L C 1.266 178.237 176.870 0.169 0.000 1.168 84 L CA 1.006 55.925 54.840 0.132 0.000 0.972 84 L CB -1.718 40.441 42.059 0.166 0.000 2.005 84 L HN 1.762 nan 8.230 nan 0.000 0.935 85 G N -1.511 107.309 108.800 0.034 0.000 2.136 85 G HA2 -0.247 3.716 3.960 0.004 0.000 0.242 85 G HA3 -0.247 3.716 3.960 0.004 0.000 0.242 85 G C 0.115 174.720 174.900 -0.491 0.000 0.989 85 G CA 0.434 45.424 45.100 -0.182 0.000 0.682 85 G HN 0.637 nan 8.290 nan 0.000 0.522 86 H N -0.979 118.140 119.070 0.080 0.000 2.985 86 H HA 0.489 5.047 4.556 0.004 0.000 0.360 86 H C -0.329 175.032 175.328 0.055 0.000 1.221 86 H CA -0.599 55.446 56.048 -0.005 0.000 1.121 86 H CB 1.823 31.474 29.762 -0.185 0.000 1.854 86 H HN 0.253 nan 8.280 nan 0.000 0.551 87 K N 1.558 122.002 120.400 0.073 0.000 2.172 87 K HA 0.361 4.683 4.320 0.004 0.000 0.276 87 K C -1.455 175.118 176.600 -0.046 0.000 1.013 87 K CA -0.344 56.001 56.287 0.096 0.000 0.913 87 K CB 0.564 33.091 32.500 0.044 0.000 1.055 87 K HN 0.217 nan 8.250 nan 0.000 0.461 88 F N 4.002 123.987 119.950 0.060 0.000 2.477 88 F HA 0.330 4.859 4.527 0.003 0.000 0.335 88 F C 1.306 177.167 175.800 0.101 0.000 1.130 88 F CA -0.919 57.131 58.000 0.084 0.000 0.948 88 F CB 1.753 40.771 39.000 0.030 0.000 1.154 88 F HN 0.619 nan 8.300 nan 0.000 0.439 89 R N 1.239 121.873 120.500 0.224 0.000 2.189 89 R HA -0.031 4.311 4.340 0.004 0.000 0.223 89 R C -0.558 175.874 176.300 0.219 0.000 1.092 89 R CA 1.263 57.472 56.100 0.183 0.000 0.989 89 R CB -0.470 29.907 30.300 0.127 0.000 0.876 89 R HN 0.733 nan 8.270 nan 0.000 0.457 90 N N -0.994 117.881 118.700 0.291 0.000 2.732 90 N HA 0.277 5.020 4.740 0.004 0.000 0.259 90 N C -2.807 172.900 175.510 0.327 0.000 1.402 90 N CA -1.894 51.313 53.050 0.261 0.000 0.829 90 N CB 1.958 40.586 38.487 0.234 0.000 1.495 90 N HN -0.294 nan 8.380 nan 0.000 0.511 91 P HA 0.193 nan 4.420 nan 0.000 0.263 91 P C -0.858 176.670 177.300 0.380 0.000 1.448 91 P CA 0.024 63.272 63.100 0.246 0.000 0.983 91 P CB 0.344 32.097 31.700 0.087 0.000 1.481 92 V N 0.559 120.686 119.914 0.355 0.000 2.328 92 V HA 0.632 4.754 4.120 0.004 0.000 0.278 92 V C 0.886 177.100 176.094 0.199 0.000 1.021 92 V CA -0.361 62.097 62.300 0.262 0.000 0.838 92 V CB 1.191 33.104 31.823 0.150 0.000 0.999 92 V HN 0.132 nan 8.190 nan 0.000 0.447 93 G N 3.507 112.153 108.800 -0.257 0.000 2.489 93 G HA2 0.675 4.637 3.960 0.004 0.000 0.327 93 G HA3 0.675 4.637 3.960 0.004 0.000 0.327 93 G C -1.135 173.265 174.900 -0.832 0.000 1.189 93 G CA -0.781 43.674 45.100 -1.075 0.000 0.962 93 G HN 0.576 nan 8.290 nan 0.000 0.486 94 I N 1.159 120.957 120.570 -1.286 0.000 2.395 94 I HA 0.616 4.789 4.170 0.004 0.000 0.289 94 I C 0.794 176.545 176.117 -0.609 0.000 1.023 94 I CA -0.643 59.923 61.300 -1.223 0.000 1.350 94 I CB 0.891 37.943 38.000 -1.579 0.000 1.409 94 I HN 0.652 nan 8.210 nan 0.000 0.507 95 A N 6.468 129.072 122.820 -0.360 0.000 2.386 95 A HA 0.694 5.016 4.320 0.004 0.000 0.248 95 A C 0.466 177.959 177.584 -0.151 0.000 1.082 95 A CA -0.068 51.883 52.037 -0.142 0.000 0.789 95 A CB -0.173 18.838 19.000 0.019 0.000 1.025 95 A HN 1.172 nan 8.150 nan 0.000 0.490 96 A N 0.083 122.874 122.820 -0.048 0.000 2.555 96 A HA 0.470 4.792 4.320 0.004 0.000 0.233 96 A C 1.585 179.146 177.584 -0.037 0.000 1.060 96 A CA 0.992 52.999 52.037 -0.050 0.000 0.759 96 A CB -0.540 18.473 19.000 0.023 0.000 0.995 96 A HN 2.732 nan 8.150 nan 0.000 0.506 97 G N 0.059 108.788 108.800 -0.118 0.000 2.284 97 G HA2 -0.271 3.692 3.960 0.004 0.000 0.216 97 G HA3 -0.271 3.692 3.960 0.004 0.000 0.216 97 G C 0.843 175.564 174.900 -0.298 0.000 1.009 97 G CA 0.897 45.940 45.100 -0.095 0.000 0.625 97 G HN 1.339 nan 8.290 nan 0.000 0.501 98 F N 2.141 121.638 119.950 -0.754 0.000 2.094 98 F HA 0.347 4.878 4.527 0.006 0.000 0.291 98 F C 0.948 176.587 175.800 -0.268 0.000 1.109 98 F CA 1.609 59.137 58.000 -0.786 0.000 1.221 98 F CB 0.246 38.655 39.000 -0.986 0.000 1.014 98 F HN 0.062 nan 8.300 nan 0.000 0.473 99 D N 0.676 120.866 120.400 -0.351 0.000 2.557 99 D HA 0.135 4.777 4.640 0.004 0.000 0.236 99 D C 0.801 176.865 176.300 -0.393 0.000 1.154 99 D CA 0.033 53.795 54.000 -0.397 0.000 0.985 99 D CB 0.394 41.073 40.800 -0.200 0.000 1.010 99 D HN 0.214 nan 8.370 nan 0.000 0.516 100 K N 0.345 120.401 120.400 -0.574 0.000 2.211 100 K HA -0.066 4.257 4.320 0.004 0.000 0.203 100 K C 0.663 176.890 176.600 -0.623 0.000 1.050 100 K CA 0.857 56.751 56.287 -0.656 0.000 0.945 100 K CB 0.292 32.226 32.500 -0.942 0.000 0.732 100 K HN 0.458 nan 8.250 nan 0.000 0.451 101 H N -1.580 117.320 119.070 -0.283 0.000 2.674 101 H HA 0.201 4.759 4.556 0.004 0.000 0.274 101 H C 0.669 175.902 175.328 -0.158 0.000 1.121 101 H CA 0.456 56.332 56.048 -0.286 0.000 1.132 101 H CB 1.057 30.492 29.762 -0.546 0.000 1.606 101 H HN 0.292 nan 8.280 nan 0.000 0.558 102 G N 1.961 110.705 108.800 -0.093 0.000 2.246 102 G HA2 -0.307 3.656 3.960 0.004 0.000 0.273 102 G HA3 -0.307 3.656 3.960 0.004 0.000 0.273 102 G C 0.641 175.525 174.900 -0.026 0.000 1.055 102 G CA 0.540 45.604 45.100 -0.059 0.000 0.851 102 G HN 0.494 nan 8.290 nan 0.000 0.500 103 E N -0.784 119.392 120.200 -0.040 0.000 2.452 103 E HA 0.438 4.790 4.350 0.004 0.000 0.197 103 E C 1.891 178.483 176.600 -0.013 0.000 1.022 103 E CA 0.616 57.010 56.400 -0.012 0.000 0.890 103 E CB 0.402 30.095 29.700 -0.012 0.000 0.918 103 E HN 0.788 nan 8.360 nan 0.000 0.496 104 A N 0.297 123.100 122.820 -0.028 0.000 2.592 104 A HA 0.221 4.544 4.320 0.004 0.000 0.290 104 A C 1.432 179.019 177.584 0.005 0.000 0.998 104 A CA -0.242 51.802 52.037 0.012 0.000 0.983 104 A CB 0.114 19.141 19.000 0.046 0.000 1.240 104 A HN 0.036 nan 8.150 nan 0.000 0.535 105 V N 0.395 120.293 119.914 -0.027 0.000 2.255 105 V HA -0.267 3.855 4.120 0.004 0.000 0.247 105 V C 2.159 178.225 176.094 -0.047 0.000 1.051 105 V CA 2.551 64.798 62.300 -0.088 0.000 1.018 105 V CB -0.477 31.328 31.823 -0.029 0.000 0.641 105 V HN 0.577 nan 8.190 nan 0.000 0.445 106 D N 0.395 120.846 120.400 0.085 0.000 2.144 106 D HA -0.103 4.539 4.640 0.004 0.000 0.200 106 D C 2.174 178.563 176.300 0.148 0.000 0.978 106 D CA 1.638 55.749 54.000 0.185 0.000 0.833 106 D CB -0.266 40.621 40.800 0.145 0.000 0.961 106 D HN 0.526 nan 8.370 nan 0.000 0.470 107 G N 0.968 109.828 108.800 0.100 0.000 2.443 107 G HA2 -0.155 3.807 3.960 0.004 0.000 0.219 107 G HA3 -0.155 3.807 3.960 0.004 0.000 0.219 107 G C 1.839 176.805 174.900 0.111 0.000 1.131 107 G CA 0.115 45.281 45.100 0.110 0.000 0.775 107 G HN 0.207 nan 8.290 nan 0.000 0.547 108 L N -1.107 120.153 121.223 0.062 0.000 2.056 108 L HA -0.023 4.320 4.340 0.004 0.000 0.207 108 L C 2.609 179.543 176.870 0.106 0.000 1.078 108 L CA 0.868 55.749 54.840 0.069 0.000 0.749 108 L CB -0.462 41.537 42.059 -0.100 0.000 0.901 108 L HN 0.213 nan 8.230 nan 0.000 0.433 109 Y N 0.076 120.468 120.300 0.154 0.000 2.224 109 Y HA -0.280 4.272 4.550 0.003 0.000 0.289 109 Y C 2.730 178.688 175.900 0.097 0.000 1.146 109 Y CA 1.284 59.465 58.100 0.135 0.000 1.182 109 Y CB -0.136 38.380 38.460 0.094 0.000 0.983 109 Y HN 0.087 nan 8.280 nan 0.000 0.524 110 K N 0.500 121.032 120.400 0.221 0.000 2.209 110 K HA -0.213 4.109 4.320 0.004 0.000 0.204 110 K C 2.021 178.668 176.600 0.080 0.000 1.048 110 K CA 1.202 57.572 56.287 0.139 0.000 0.940 110 K CB -0.208 32.363 32.500 0.117 0.000 0.729 110 K HN 0.303 nan 8.250 nan 0.000 0.451 111 M N -0.860 118.772 119.600 0.054 0.000 2.557 111 M HA -0.037 4.446 4.480 0.004 0.000 0.259 111 M C 0.680 176.866 176.300 -0.190 0.000 1.086 111 M CA 1.453 56.711 55.300 -0.070 0.000 1.096 111 M CB 0.381 32.930 32.600 -0.085 0.000 1.424 111 M HN 0.504 nan 8.290 nan 0.000 0.488 112 G N -0.579 108.172 108.800 -0.082 0.000 2.192 112 G HA2 -0.206 3.756 3.960 0.004 0.000 0.193 112 G HA3 -0.206 3.756 3.960 0.004 0.000 0.193 112 G C -0.062 174.778 174.900 -0.099 0.000 0.999 112 G CA -0.657 44.390 45.100 -0.088 0.000 0.659 112 G HN 0.376 nan 8.290 nan 0.000 0.503 113 F N 1.393 121.368 119.950 0.042 0.000 2.578 113 F HA 0.415 4.946 4.527 0.007 0.000 0.376 113 F C 1.885 177.797 175.800 0.185 0.000 1.085 113 F CA 0.928 58.940 58.000 0.020 0.000 1.260 113 F CB 1.272 40.193 39.000 -0.132 0.000 1.095 113 F HN 0.029 nan 8.300 nan 0.000 0.573 114 G N 3.603 112.665 108.800 0.437 0.000 2.572 114 G HA2 0.050 4.013 3.960 0.004 0.000 0.216 114 G HA3 0.050 4.013 3.960 0.004 0.000 0.216 114 G C -0.224 175.121 174.900 0.741 0.000 1.133 114 G CA 0.273 45.691 45.100 0.530 0.000 0.791 114 G HN 0.619 nan 8.290 nan 0.000 0.538 115 F N -2.947 117.273 119.950 0.450 0.000 2.703 115 F HA 0.676 5.205 4.527 0.003 0.000 0.308 115 F C -1.521 174.392 175.800 0.189 0.000 1.126 115 F CA -1.612 56.648 58.000 0.434 0.000 0.959 115 F CB 1.357 40.700 39.000 0.572 0.000 1.297 115 F HN -0.168 nan 8.300 nan 0.000 0.441 116 V N 1.471 121.446 119.914 0.103 0.000 2.540 116 V HA 0.476 4.598 4.120 0.004 0.000 0.302 116 V C -0.917 175.110 176.094 -0.111 0.000 1.035 116 V CA -0.562 61.582 62.300 -0.259 0.000 0.873 116 V CB 1.741 33.261 31.823 -0.505 0.000 0.992 116 V HN 0.877 nan 8.190 nan 0.000 0.428 117 E N 4.094 124.193 120.200 -0.170 0.000 2.187 117 E HA 0.660 5.012 4.350 0.004 0.000 0.268 117 E C -0.935 175.577 176.600 -0.147 0.000 0.896 117 E CA -0.615 55.729 56.400 -0.094 0.000 0.766 117 E CB 1.715 31.443 29.700 0.047 0.000 1.142 117 E HN 0.720 nan 8.360 nan 0.000 0.408 118 I N 0.813 121.296 120.570 -0.144 0.000 2.982 118 I HA 0.941 5.114 4.170 0.004 0.000 0.312 118 I C 0.481 176.515 176.117 -0.138 0.000 1.041 118 I CA -0.380 60.828 61.300 -0.153 0.000 1.053 118 I CB 1.849 39.763 38.000 -0.145 0.000 1.248 118 I HN 0.712 nan 8.210 nan 0.000 0.471 119 G N 1.707 110.402 108.800 -0.174 0.000 2.422 119 G HA2 -0.061 3.901 3.960 0.004 0.000 0.607 119 G HA3 -0.061 3.901 3.960 0.004 0.000 0.607 119 G C -0.786 174.028 174.900 -0.144 0.000 1.270 119 G CA -0.472 44.531 45.100 -0.162 0.000 0.992 119 G HN 0.848 nan 8.290 nan 0.000 0.499 120 S N -0.988 114.652 115.700 -0.100 0.000 2.565 120 S HA 0.538 5.011 4.470 0.004 0.000 0.276 120 S C 0.511 174.952 174.600 -0.265 0.000 1.326 120 S CA -0.223 57.863 58.200 -0.191 0.000 1.045 120 S CB 1.414 64.408 63.200 -0.344 0.000 0.918 120 S HN 1.170 nan 8.310 nan 0.000 0.505 121 V N 3.222 122.988 119.914 -0.246 0.000 2.435 121 V HA 0.516 4.639 4.120 0.004 0.000 0.290 121 V C 0.562 176.499 176.094 -0.261 0.000 1.030 121 V CA -0.893 61.290 62.300 -0.196 0.000 0.881 121 V CB 1.412 33.164 31.823 -0.117 0.000 0.983 121 V HN 1.012 nan 8.190 nan 0.000 0.445 122 T N 2.263 116.683 114.554 -0.222 0.000 2.943 122 T HA 0.473 4.826 4.350 0.004 0.000 0.284 122 T C -2.104 172.518 174.700 -0.130 0.000 1.015 122 T CA -2.078 59.888 62.100 -0.224 0.000 1.042 122 T CB 2.178 70.950 68.868 -0.161 0.000 1.055 122 T HN 0.331 nan 8.240 nan 0.000 0.500 123 P HA -0.002 nan 4.420 nan 0.000 0.214 123 P C 0.208 177.479 177.300 -0.049 0.000 1.162 123 P CA 1.196 64.245 63.100 -0.085 0.000 0.879 123 P CB 0.185 31.832 31.700 -0.087 0.000 0.786 124 K N -0.846 119.532 120.400 -0.038 0.000 2.095 124 K HA 0.395 4.717 4.320 0.004 0.000 0.252 124 K C -2.491 174.108 176.600 -0.000 0.000 0.977 124 K CA -2.932 53.346 56.287 -0.015 0.000 0.900 124 K CB -0.792 31.703 32.500 -0.008 0.000 1.060 124 K HN -0.123 nan 8.250 nan 0.000 0.449 125 P HA 0.009 nan 4.420 nan 0.000 0.267 125 P C -0.800 176.522 177.300 0.037 0.000 1.200 125 P CA 0.136 63.254 63.100 0.029 0.000 0.772 125 P CB 0.370 32.075 31.700 0.009 0.000 0.855 126 Q N -0.135 119.703 119.800 0.063 0.000 2.435 126 Q HA 0.353 4.696 4.340 0.004 0.000 0.282 126 Q C -0.128 175.929 176.000 0.095 0.000 1.020 126 Q CA -0.770 55.074 55.803 0.070 0.000 0.820 126 Q CB 1.331 30.116 28.738 0.078 0.000 1.436 126 Q HN 0.251 nan 8.270 nan 0.000 0.395 127 E N 0.786 121.037 120.200 0.084 0.000 2.216 127 E HA 0.133 4.485 4.350 0.004 0.000 0.192 127 E C 0.629 177.307 176.600 0.129 0.000 0.988 127 E CA 0.923 57.380 56.400 0.097 0.000 0.834 127 E CB 0.127 29.868 29.700 0.069 0.000 0.772 127 E HN 0.848 nan 8.360 nan 0.000 0.479 128 G N 1.473 110.351 108.800 0.131 0.000 2.698 128 G HA2 -0.206 3.757 3.960 0.004 0.000 0.225 128 G HA3 -0.206 3.757 3.960 0.004 0.000 0.225 128 G C -0.498 174.462 174.900 0.101 0.000 1.345 128 G CA -0.546 44.644 45.100 0.150 0.000 0.871 128 G HN 0.099 nan 8.290 nan 0.000 0.540 129 N N 1.509 120.259 118.700 0.083 0.000 2.415 129 N HA 0.444 5.187 4.740 0.004 0.000 0.248 129 N C -2.093 173.433 175.510 0.027 0.000 1.271 129 N CA -0.544 52.530 53.050 0.039 0.000 0.913 129 N CB -0.025 38.470 38.487 0.014 0.000 1.129 129 N HN 0.415 nan 8.380 nan 0.000 0.444 130 P HA 0.056 nan 4.420 nan 0.000 0.267 130 P C 0.169 177.463 177.300 -0.009 0.000 1.200 130 P CA 0.262 63.368 63.100 0.011 0.000 0.772 130 P CB 0.675 32.384 31.700 0.014 0.000 0.855 131 R N 2.654 123.144 120.500 -0.017 0.000 2.649 131 R HA 0.313 4.655 4.340 0.004 0.000 0.270 131 R C -1.473 174.820 176.300 -0.011 0.000 1.105 131 R CA -1.290 54.782 56.100 -0.046 0.000 1.193 131 R CB -0.694 29.577 30.300 -0.048 0.000 1.120 131 R HN 0.517 nan 8.270 nan 0.000 0.561 132 P HA 0.053 nan 4.420 nan 0.000 0.271 132 P C -0.631 176.554 177.300 -0.192 0.000 1.218 132 P CA -0.029 62.992 63.100 -0.131 0.000 0.780 132 P CB 0.675 32.322 31.700 -0.088 0.000 0.901 133 R N 0.206 120.426 120.500 -0.465 0.000 2.569 133 R HA 0.454 4.797 4.340 0.004 0.000 0.422 133 R C -0.791 175.064 176.300 -0.741 0.000 0.980 133 R CA -0.437 55.389 56.100 -0.457 0.000 1.164 133 R CB 0.183 30.258 30.300 -0.374 0.000 1.520 133 R HN 0.200 nan 8.270 nan 0.000 0.567 134 V N 1.041 120.295 119.914 -1.100 0.000 2.932 134 V HA 0.584 4.707 4.120 0.004 0.000 0.307 134 V C -1.443 173.977 176.094 -1.123 0.000 1.147 134 V CA -0.775 61.011 62.300 -0.857 0.000 0.951 134 V CB 2.026 33.526 31.823 -0.538 0.000 1.031 134 V HN 0.124 nan 8.190 nan 0.000 0.426 135 F N 1.639 121.521 119.950 -0.112 0.000 2.574 135 F HA 0.674 5.203 4.527 0.004 0.000 0.313 135 F C 0.185 175.950 175.800 -0.058 0.000 1.130 135 F CA -0.723 57.232 58.000 -0.075 0.000 0.936 135 F CB 2.114 41.077 39.000 -0.062 0.000 1.219 135 F HN 0.251 nan 8.300 nan 0.000 0.445 136 R N 2.207 122.764 120.500 0.095 0.000 2.486 136 R HA 0.707 5.050 4.340 0.004 0.000 0.286 136 R C -1.308 175.078 176.300 0.143 0.000 0.999 136 R CA -0.947 55.203 56.100 0.084 0.000 0.993 136 R CB 1.203 31.524 30.300 0.036 0.000 1.084 136 R HN 0.436 nan 8.270 nan 0.000 0.487 137 L N 4.663 125.998 121.223 0.188 0.000 2.556 137 L HA 0.284 4.627 4.340 0.004 0.000 0.243 137 L C -1.807 175.108 176.870 0.075 0.000 1.331 137 L CA -1.480 53.423 54.840 0.106 0.000 0.927 137 L CB 1.401 43.497 42.059 0.061 0.000 1.219 137 L HN 0.457 nan 8.230 nan 0.000 0.490 138 P HA -0.146 nan 4.420 nan 0.000 0.218 138 P C 0.860 178.061 177.300 -0.165 0.000 1.149 138 P CA 1.177 64.253 63.100 -0.039 0.000 0.817 138 P CB 0.524 32.261 31.700 0.063 0.000 0.785 139 E N -0.320 119.832 120.200 -0.080 0.000 2.347 139 E HA -0.095 4.258 4.350 0.004 0.000 0.196 139 E C 1.105 177.645 176.600 -0.100 0.000 1.008 139 E CA 0.834 57.187 56.400 -0.079 0.000 0.852 139 E CB -0.544 29.132 29.700 -0.041 0.000 0.783 139 E HN 0.383 nan 8.360 nan 0.000 0.505 140 D N -0.099 120.233 120.400 -0.114 0.000 2.398 140 D HA 0.013 4.655 4.640 0.004 0.000 0.210 140 D C -0.263 175.929 176.300 -0.180 0.000 1.094 140 D CA 0.005 53.942 54.000 -0.106 0.000 0.839 140 D CB 0.351 41.120 40.800 -0.051 0.000 0.963 140 D HN 0.063 nan 8.370 nan 0.000 0.506 141 Q N 0.159 119.720 119.800 -0.399 0.000 2.423 141 Q HA -0.187 4.156 4.340 0.004 0.000 0.332 141 Q C -0.449 175.396 176.000 -0.260 0.000 1.355 141 Q CA 0.434 55.770 55.803 -0.778 0.000 0.947 141 Q CB -1.106 27.333 28.738 -0.499 0.000 1.189 141 Q HN 0.379 nan 8.270 nan 0.000 0.418 142 A N -0.560 122.260 122.820 -0.000 0.000 2.532 142 A HA 0.917 5.240 4.320 0.004 0.000 0.290 142 A C -0.823 176.898 177.584 0.229 0.000 1.143 142 A CA -0.519 51.601 52.037 0.137 0.000 0.728 142 A CB 2.115 21.141 19.000 0.044 0.000 1.317 142 A HN 0.120 nan 8.150 nan 0.000 0.414 143 V N 0.632 120.606 119.914 0.101 0.000 2.925 143 V HA 0.527 4.650 4.120 0.004 0.000 0.311 143 V C -0.929 175.186 176.094 0.036 0.000 1.104 143 V CA -0.289 62.032 62.300 0.035 0.000 0.954 143 V CB 1.956 33.716 31.823 -0.105 0.000 1.022 143 V HN 0.745 nan 8.190 nan 0.000 0.427 144 I N 3.721 124.340 120.570 0.082 0.000 2.465 144 I HA 0.491 4.664 4.170 0.004 0.000 0.291 144 I C -0.614 175.573 176.117 0.117 0.000 1.014 144 I CA -0.390 60.970 61.300 0.099 0.000 1.093 144 I CB 2.063 40.140 38.000 0.129 0.000 1.267 144 I HN 0.915 nan 8.210 nan 0.000 0.431 145 N N 4.733 123.466 118.700 0.055 0.000 2.265 145 N HA 0.645 5.387 4.740 0.004 0.000 0.300 145 N C -0.821 174.699 175.510 0.018 0.000 1.148 145 N CA -1.056 51.992 53.050 -0.003 0.000 0.772 145 N CB 1.552 40.053 38.487 0.024 0.000 1.434 145 N HN 0.566 nan 8.380 nan 0.000 0.481 146 R N 0.719 121.193 120.500 -0.045 0.000 2.718 146 R HA 0.248 4.590 4.340 0.004 0.000 0.307 146 R C -0.621 175.652 176.300 -0.046 0.000 1.244 146 R CA -0.655 55.436 56.100 -0.016 0.000 1.348 146 R CB -0.881 29.429 30.300 0.017 0.000 1.304 146 R HN 0.534 nan 8.270 nan 0.000 0.663 147 Y N 1.570 121.856 120.300 -0.024 0.000 2.165 147 Y HA -0.127 4.426 4.550 0.004 0.000 0.286 147 Y C 1.993 177.893 175.900 0.000 0.000 1.155 147 Y CA 2.209 60.306 58.100 -0.006 0.000 1.164 147 Y CB 0.115 38.583 38.460 0.013 0.000 0.978 147 Y HN 0.738 nan 8.280 nan 0.000 0.513 148 G N -0.785 108.079 108.800 0.106 0.000 2.182 148 G HA2 -0.320 3.643 3.960 0.004 0.000 0.248 148 G HA3 -0.320 3.643 3.960 0.004 0.000 0.248 148 G C 0.189 175.169 174.900 0.133 0.000 1.042 148 G CA -0.054 45.043 45.100 -0.005 0.000 0.775 148 G HN 0.529 nan 8.290 nan 0.000 0.501 149 F N -1.151 118.862 119.950 0.104 0.000 2.905 149 F HA -0.237 4.293 4.527 0.004 0.000 0.311 149 F C 1.012 176.853 175.800 0.068 0.000 1.005 149 F CA 0.155 58.187 58.000 0.053 0.000 1.029 149 F CB -1.581 37.441 39.000 0.038 0.000 1.151 149 F HN 0.673 nan 8.300 nan 0.000 0.805 150 N N 1.504 120.364 118.700 0.268 0.000 2.452 150 N HA 0.248 4.991 4.740 0.004 0.000 0.266 150 N C -0.383 175.261 175.510 0.223 0.000 1.209 150 N CA 0.359 53.542 53.050 0.222 0.000 0.929 150 N CB 1.970 40.599 38.487 0.237 0.000 1.063 150 N HN 0.288 nan 8.380 nan 0.000 0.472 151 S N 1.295 117.119 115.700 0.207 0.000 2.546 151 S HA 0.228 4.701 4.470 0.004 0.000 0.272 151 S C 0.096 174.793 174.600 0.161 0.000 1.140 151 S CA -0.749 57.567 58.200 0.192 0.000 0.920 151 S CB 0.679 63.916 63.200 0.061 0.000 1.083 151 S HN 0.638 nan 8.310 nan 0.000 0.476 152 H N 2.615 121.655 119.070 -0.049 0.000 2.546 152 H HA 0.279 4.838 4.556 0.004 0.000 0.277 152 H C 1.301 176.598 175.328 -0.051 0.000 1.004 152 H CA 0.243 56.208 56.048 -0.139 0.000 1.231 152 H CB 0.239 29.860 29.762 -0.235 0.000 1.382 152 H HN 1.003 nan 8.280 nan 0.000 0.580 153 G N -0.100 108.756 108.800 0.094 0.000 2.663 153 G HA2 -0.218 3.745 3.960 0.004 0.000 0.686 153 G HA3 -0.218 3.745 3.960 0.004 0.000 0.686 153 G C 0.370 175.279 174.900 0.015 0.000 1.246 153 G CA -0.386 44.731 45.100 0.028 0.000 0.795 153 G HN 0.171 nan 8.290 nan 0.000 0.627 154 L N 0.521 121.732 121.223 -0.020 0.000 2.012 154 L HA -0.133 4.210 4.340 0.004 0.000 0.210 154 L C 3.185 180.033 176.870 -0.037 0.000 1.073 154 L CA 2.437 57.254 54.840 -0.038 0.000 0.748 154 L CB -0.622 41.405 42.059 -0.052 0.000 0.891 154 L HN 0.758 nan 8.230 nan 0.000 0.431 155 S N -0.593 115.099 115.700 -0.014 0.000 2.356 155 S HA -0.154 4.318 4.470 0.004 0.000 0.223 155 S C 1.943 176.587 174.600 0.074 0.000 1.032 155 S CA 1.387 59.589 58.200 0.003 0.000 1.005 155 S CB -0.120 63.117 63.200 0.062 0.000 0.867 155 S HN 0.191 nan 8.310 nan 0.000 0.449 156 V N 1.335 121.302 119.914 0.087 0.000 2.295 156 V HA -0.106 4.017 4.120 0.004 0.000 0.246 156 V C 2.453 178.602 176.094 0.093 0.000 1.049 156 V CA 1.784 64.152 62.300 0.112 0.000 1.024 156 V CB -0.613 31.257 31.823 0.079 0.000 0.648 156 V HN 0.430 nan 8.190 nan 0.000 0.447 157 V N -0.155 119.791 119.914 0.053 0.000 2.515 157 V HA -0.230 3.892 4.120 0.004 0.000 0.250 157 V C 2.446 178.526 176.094 -0.022 0.000 1.058 157 V CA 2.008 64.324 62.300 0.026 0.000 1.064 157 V CB -0.545 31.280 31.823 0.004 0.000 0.675 157 V HN 0.660 nan 8.190 nan 0.000 0.461 158 E N 0.148 120.295 120.200 -0.088 0.000 2.058 158 E HA -0.291 4.062 4.350 0.004 0.000 0.194 158 E C 2.126 178.601 176.600 -0.208 0.000 0.997 158 E CA 2.123 58.411 56.400 -0.187 0.000 0.801 158 E CB -0.175 29.339 29.700 -0.311 0.000 0.746 158 E HN 0.793 nan 8.360 nan 0.000 0.450 159 H N -0.439 118.629 119.070 -0.003 0.000 2.353 159 H HA -0.048 4.510 4.556 0.004 0.000 0.300 159 H C 2.361 177.690 175.328 0.003 0.000 1.090 159 H CA 1.722 57.769 56.048 -0.003 0.000 1.327 159 H CB -0.027 29.731 29.762 -0.007 0.000 1.383 159 H HN 0.045 nan 8.280 nan 0.000 0.508 160 R N 0.449 121.011 120.500 0.104 0.000 2.081 160 R HA -0.093 4.250 4.340 0.004 0.000 0.235 160 R C 1.979 178.303 176.300 0.041 0.000 1.131 160 R CA 1.105 57.245 56.100 0.067 0.000 0.960 160 R CB -0.115 30.221 30.300 0.060 0.000 0.856 160 R HN 0.295 nan 8.270 nan 0.000 0.436 161 L N -0.340 120.893 121.223 0.017 0.000 2.109 161 L HA -0.101 4.242 4.340 0.004 0.000 0.207 161 L C 2.484 179.364 176.870 0.017 0.000 1.086 161 L CA 1.129 55.975 54.840 0.010 0.000 0.760 161 L CB -0.334 41.719 42.059 -0.011 0.000 0.910 161 L HN 0.178 nan 8.230 nan 0.000 0.437 162 R N 0.137 120.644 120.500 0.012 0.000 2.120 162 R HA -0.110 4.233 4.340 0.004 0.000 0.234 162 R C 2.310 178.634 176.300 0.041 0.000 1.123 162 R CA 1.169 57.283 56.100 0.023 0.000 0.975 162 R CB -0.355 29.960 30.300 0.025 0.000 0.866 162 R HN 0.320 nan 8.270 nan 0.000 0.446 163 A N 1.641 124.491 122.820 0.049 0.000 2.121 163 A HA -0.145 4.178 4.320 0.004 0.000 0.218 163 A C 1.503 179.109 177.584 0.036 0.000 1.154 163 A CA 1.059 53.123 52.037 0.044 0.000 0.679 163 A CB -0.208 18.819 19.000 0.045 0.000 0.795 163 A HN 0.404 nan 8.150 nan 0.000 0.458 164 R N -1.058 119.464 120.500 0.036 0.000 2.642 164 R HA 0.301 4.643 4.340 0.004 0.000 0.435 164 R C 1.094 177.414 176.300 0.034 0.000 1.046 164 R CA 0.272 56.394 56.100 0.036 0.000 1.103 164 R CB -0.566 29.760 30.300 0.043 0.000 1.425 164 R HN 0.435 nan 8.270 nan 0.000 0.586 165 Q N 1.016 120.836 119.800 0.033 0.000 2.084 165 Q HA -0.136 4.206 4.340 0.004 0.000 0.202 165 Q C 1.238 177.255 176.000 0.029 0.000 0.978 165 Q CA 1.579 57.404 55.803 0.035 0.000 0.844 165 Q CB 0.244 29.009 28.738 0.045 0.000 0.898 165 Q HN 0.363 nan 8.270 nan 0.000 0.426 166 Q N 0.446 120.261 119.800 0.026 0.000 2.172 166 Q HA -0.119 4.224 4.340 0.004 0.000 0.200 166 Q C 1.752 177.756 176.000 0.006 0.000 0.964 166 Q CA 1.201 57.014 55.803 0.017 0.000 0.855 166 Q CB -0.185 28.564 28.738 0.017 0.000 0.918 166 Q HN 0.399 nan 8.270 nan 0.000 0.444 167 K N 0.835 121.242 120.400 0.011 0.000 2.097 167 K HA -0.219 4.104 4.320 0.004 0.000 0.206 167 K C 2.013 178.608 176.600 -0.009 0.000 1.049 167 K CA 1.369 57.659 56.287 0.004 0.000 0.933 167 K CB 0.175 32.686 32.500 0.018 0.000 0.717 167 K HN -0.041 nan 8.250 nan 0.000 0.442 168 Q N 0.583 120.385 119.800 0.005 0.000 2.167 168 Q HA -0.013 4.330 4.340 0.004 0.000 0.202 168 Q C 1.707 177.686 176.000 -0.036 0.000 0.970 168 Q CA 1.680 57.478 55.803 -0.007 0.000 0.855 168 Q CB -0.258 28.494 28.738 0.025 0.000 0.911 168 Q HN 0.407 nan 8.270 nan 0.000 0.438 169 A N 0.494 123.301 122.820 -0.021 0.000 1.933 169 A HA -0.194 4.129 4.320 0.004 0.000 0.218 169 A C 1.943 179.503 177.584 -0.040 0.000 1.175 169 A CA 1.645 53.665 52.037 -0.029 0.000 0.628 169 A CB -0.363 18.627 19.000 -0.018 0.000 0.814 169 A HN 0.363 nan 8.150 nan 0.000 0.444 170 K N -0.581 119.794 120.400 -0.041 0.000 2.076 170 K HA 0.082 4.405 4.320 0.004 0.000 0.204 170 K C 1.878 178.430 176.600 -0.081 0.000 1.051 170 K CA 0.940 57.198 56.287 -0.049 0.000 0.949 170 K CB -0.345 32.132 32.500 -0.037 0.000 0.726 170 K HN 0.438 nan 8.250 nan 0.000 0.443 171 L N 0.837 121.991 121.223 -0.116 0.000 1.990 171 L HA -0.267 4.076 4.340 0.004 0.000 0.213 171 L C 2.502 179.250 176.870 -0.203 0.000 1.072 171 L CA 1.594 56.306 54.840 -0.214 0.000 0.755 171 L CB -0.948 40.904 42.059 -0.346 0.000 0.889 171 L HN 0.227 nan 8.230 nan 0.000 0.432 172 T N -1.051 113.406 114.554 -0.161 0.000 2.635 172 T HA -0.277 4.075 4.350 0.004 0.000 0.267 172 T C 1.784 176.431 174.700 -0.088 0.000 1.040 172 T CA 1.835 63.848 62.100 -0.146 0.000 1.156 172 T CB -0.248 68.551 68.868 -0.114 0.000 0.863 172 T HN 0.291 nan 8.240 nan 0.000 0.430 173 E N 1.364 121.532 120.200 -0.052 0.000 2.160 173 E HA -0.155 4.198 4.350 0.004 0.000 0.195 173 E C 1.300 177.874 176.600 -0.043 0.000 0.991 173 E CA 1.336 57.716 56.400 -0.032 0.000 0.810 173 E CB -0.424 29.260 29.700 -0.027 0.000 0.742 173 E HN 0.389 nan 8.360 nan 0.000 0.466 174 D N -1.401 118.960 120.400 -0.065 0.000 2.336 174 D HA 0.191 4.833 4.640 0.004 0.000 0.229 174 D C 0.617 176.881 176.300 -0.060 0.000 1.061 174 D CA 0.998 54.962 54.000 -0.059 0.000 0.875 174 D CB 0.289 41.044 40.800 -0.076 0.000 0.904 174 D HN 0.344 nan 8.370 nan 0.000 0.525 175 G N 0.140 108.891 108.800 -0.082 0.000 2.134 175 G HA2 -0.225 3.738 3.960 0.004 0.000 0.209 175 G HA3 -0.225 3.738 3.960 0.004 0.000 0.209 175 G C 0.142 174.976 174.900 -0.109 0.000 0.993 175 G CA -0.405 44.647 45.100 -0.080 0.000 0.669 175 G HN 0.325 nan 8.290 nan 0.000 0.519 176 L N 1.163 122.278 121.223 -0.180 0.000 2.556 176 L HA 0.332 4.674 4.340 0.004 0.000 0.243 176 L C -2.303 174.471 176.870 -0.160 0.000 1.331 176 L CA -1.958 52.772 54.840 -0.182 0.000 0.927 176 L CB 1.597 43.349 42.059 -0.512 0.000 1.219 176 L HN -0.084 nan 8.230 nan 0.000 0.490 177 P HA 0.169 nan 4.420 nan 0.000 0.274 177 P C -0.867 176.522 177.300 0.148 0.000 1.246 177 P CA -0.401 62.598 63.100 -0.169 0.000 0.795 177 P CB 1.121 32.497 31.700 -0.540 0.000 1.006 178 L N 1.132 122.361 121.223 0.010 0.000 2.333 178 L HA 0.757 5.099 4.340 0.004 0.000 0.280 178 L C -0.104 176.587 176.870 -0.298 0.000 1.004 178 L CA -0.189 54.647 54.840 -0.007 0.000 0.820 178 L CB 1.137 43.195 42.059 -0.001 0.000 1.247 178 L HN 0.488 nan 8.230 nan 0.000 0.416 179 G N 3.732 112.223 108.800 -0.516 0.000 2.454 179 G HA2 0.649 4.612 3.960 0.004 0.000 0.329 179 G HA3 0.649 4.612 3.960 0.004 0.000 0.329 179 G C -1.642 172.968 174.900 -0.484 0.000 1.177 179 G CA -0.561 43.823 45.100 -1.193 0.000 0.951 179 G HN 0.499 nan 8.290 nan 0.000 0.485 180 V N 1.848 121.550 119.914 -0.353 0.000 2.588 180 V HA 0.396 4.519 4.120 0.004 0.000 0.304 180 V C -0.625 175.429 176.094 -0.066 0.000 1.042 180 V CA -1.180 61.025 62.300 -0.158 0.000 0.877 180 V CB 1.772 33.529 31.823 -0.110 0.000 0.996 180 V HN 0.754 nan 8.190 nan 0.000 0.425 181 N N 4.941 123.617 118.700 -0.040 0.000 2.408 181 N HA 0.528 5.270 4.740 0.004 0.000 0.280 181 N C -1.246 174.249 175.510 -0.025 0.000 1.002 181 N CA -0.382 52.679 53.050 0.017 0.000 0.907 181 N CB 1.580 40.086 38.487 0.032 0.000 1.161 181 N HN 0.613 nan 8.380 nan 0.000 0.488 182 L N 2.089 123.330 121.223 0.030 0.000 2.309 182 L HA 0.641 4.984 4.340 0.004 0.000 0.282 182 L C 1.147 177.997 176.870 -0.032 0.000 1.036 182 L CA -0.806 54.032 54.840 -0.003 0.000 0.806 182 L CB 1.763 43.903 42.059 0.135 0.000 1.220 182 L HN 0.537 nan 8.230 nan 0.000 0.429 183 G N 1.969 110.547 108.800 -0.370 0.000 3.175 183 G HA2 0.717 4.680 3.960 0.004 0.000 0.255 183 G HA3 0.717 4.680 3.960 0.004 0.000 0.255 183 G C -1.439 173.078 174.900 -0.639 0.000 1.352 183 G CA -0.567 44.139 45.100 -0.655 0.000 1.037 183 G HN 0.621 nan 8.290 nan 0.000 0.556 184 K N -0.860 119.289 120.400 -0.417 0.000 2.426 184 K HA 0.481 4.803 4.320 0.004 0.000 0.251 184 K C -0.826 175.750 176.600 -0.039 0.000 0.941 184 K CA -0.850 55.256 56.287 -0.301 0.000 0.808 184 K CB 1.975 34.297 32.500 -0.296 0.000 1.265 184 K HN 0.387 nan 8.250 nan 0.000 0.432 185 N N 1.289 119.958 118.700 -0.052 0.000 2.453 185 N HA -0.005 4.738 4.740 0.004 0.000 0.253 185 N C 0.565 176.121 175.510 0.077 0.000 1.252 185 N CA -0.285 52.783 53.050 0.029 0.000 0.917 185 N CB 0.984 39.471 38.487 -0.000 0.000 1.117 185 N HN 0.717 nan 8.380 nan 0.000 0.442 186 K N 0.082 120.541 120.400 0.098 0.000 2.063 186 K HA -0.150 4.173 4.320 0.004 0.000 0.208 186 K C 1.049 177.681 176.600 0.053 0.000 1.048 186 K CA 1.610 57.947 56.287 0.083 0.000 0.928 186 K CB -0.083 32.462 32.500 0.076 0.000 0.713 186 K HN 0.767 nan 8.250 nan 0.000 0.442 187 T N -1.510 113.068 114.554 0.040 0.000 3.122 187 T HA 0.100 4.453 4.350 0.004 0.000 0.250 187 T C 0.603 175.316 174.700 0.022 0.000 1.067 187 T CA -0.272 61.845 62.100 0.029 0.000 0.966 187 T CB 0.278 69.160 68.868 0.023 0.000 1.002 187 T HN 0.113 nan 8.240 nan 0.000 0.542 188 S N 0.333 116.046 115.700 0.021 0.000 2.562 188 S HA 0.215 4.688 4.470 0.004 0.000 0.281 188 S C 1.141 175.753 174.600 0.019 0.000 1.333 188 S CA -0.639 57.567 58.200 0.010 0.000 1.052 188 S CB 0.871 64.067 63.200 -0.007 0.000 0.884 188 S HN 0.177 nan 8.310 nan 0.000 0.506 189 V N 2.856 122.780 119.914 0.017 0.000 3.506 189 V HA 0.203 4.326 4.120 0.004 0.000 0.263 189 V C 0.438 176.549 176.094 0.029 0.000 1.203 189 V CA 0.865 63.179 62.300 0.022 0.000 1.133 189 V CB -0.117 31.717 31.823 0.018 0.000 0.802 189 V HN 0.894 nan 8.190 nan 0.000 0.459 190 D N -0.415 120.002 120.400 0.027 0.000 2.402 190 D HA 0.448 5.090 4.640 0.004 0.000 0.252 190 D C 0.772 177.101 176.300 0.049 0.000 1.294 190 D CA 0.324 54.347 54.000 0.038 0.000 0.948 190 D CB 1.796 42.614 40.800 0.030 0.000 1.202 190 D HN 0.041 nan 8.370 nan 0.000 0.561 191 A N 3.307 126.178 122.820 0.084 0.000 1.902 191 A HA 0.021 4.343 4.320 0.004 0.000 0.217 191 A C 2.060 179.765 177.584 0.201 0.000 1.181 191 A CA 1.835 53.951 52.037 0.131 0.000 0.623 191 A CB -0.407 18.727 19.000 0.223 0.000 0.818 191 A HN 0.602 nan 8.150 nan 0.000 0.443 192 A N -0.496 122.435 122.820 0.186 0.000 1.969 192 A HA -0.087 4.236 4.320 0.004 0.000 0.218 192 A C 1.940 179.612 177.584 0.147 0.000 1.169 192 A CA 2.005 54.166 52.037 0.207 0.000 0.635 192 A CB -0.380 18.690 19.000 0.116 0.000 0.810 192 A HN 0.517 nan 8.150 nan 0.000 0.445 193 E N 0.688 120.935 120.200 0.079 0.000 2.150 193 E HA -0.154 4.198 4.350 0.004 0.000 0.193 193 E C 1.241 177.846 176.600 0.007 0.000 0.985 193 E CA 1.485 57.910 56.400 0.042 0.000 0.814 193 E CB -0.289 29.424 29.700 0.022 0.000 0.752 193 E HN 0.516 nan 8.360 nan 0.000 0.466 194 D N -0.768 119.605 120.400 -0.045 0.000 2.104 194 D HA -0.172 4.470 4.640 0.004 0.000 0.194 194 D C 1.641 177.827 176.300 -0.190 0.000 0.994 194 D CA 1.253 55.154 54.000 -0.165 0.000 0.830 194 D CB -0.401 40.214 40.800 -0.308 0.000 0.959 194 D HN 0.348 nan 8.370 nan 0.000 0.452 195 Y N 0.920 121.220 120.300 -0.001 0.000 2.200 195 Y HA -0.083 4.469 4.550 0.004 0.000 0.290 195 Y C 2.475 178.373 175.900 -0.004 0.000 1.137 195 Y CA 1.012 59.109 58.100 -0.005 0.000 1.163 195 Y CB -0.437 38.028 38.460 0.008 0.000 0.988 195 Y HN -0.076 nan 8.280 nan 0.000 0.518 196 A N 0.355 123.263 122.820 0.146 0.000 1.940 196 A HA -0.247 4.076 4.320 0.004 0.000 0.219 196 A C 1.997 179.605 177.584 0.040 0.000 1.176 196 A CA 1.975 54.062 52.037 0.083 0.000 0.631 196 A CB -0.628 18.410 19.000 0.063 0.000 0.814 196 A HN 0.546 nan 8.150 nan 0.000 0.446 197 E N -0.807 119.401 120.200 0.012 0.000 2.110 197 E HA -0.116 4.237 4.350 0.004 0.000 0.193 197 E C 2.123 178.713 176.600 -0.018 0.000 0.988 197 E CA 0.799 57.191 56.400 -0.012 0.000 0.804 197 E CB -0.350 29.330 29.700 -0.033 0.000 0.745 197 E HN 0.624 nan 8.360 nan 0.000 0.458 198 G N 0.697 109.486 108.800 -0.018 0.000 2.408 198 G HA2 -0.197 3.766 3.960 0.004 0.000 0.217 198 G HA3 -0.197 3.766 3.960 0.004 0.000 0.217 198 G C 1.720 176.625 174.900 0.008 0.000 1.150 198 G CA 0.513 45.602 45.100 -0.019 0.000 0.776 198 G HN 0.109 nan 8.290 nan 0.000 0.542 199 V N 0.550 120.486 119.914 0.036 0.000 2.358 199 V HA -0.130 3.992 4.120 0.004 0.000 0.246 199 V C 2.885 178.990 176.094 0.018 0.000 1.047 199 V CA 1.741 64.064 62.300 0.038 0.000 1.035 199 V CB -0.442 31.413 31.823 0.053 0.000 0.658 199 V HN 0.292 nan 8.190 nan 0.000 0.452 200 R N -0.479 120.026 120.500 0.009 0.000 2.096 200 R HA -0.099 4.243 4.340 0.004 0.000 0.235 200 R C 2.186 178.471 176.300 -0.025 0.000 1.127 200 R CA 1.440 57.537 56.100 -0.005 0.000 0.968 200 R CB -0.342 29.954 30.300 -0.007 0.000 0.861 200 R HN 0.425 nan 8.270 nan 0.000 0.440 201 V N 0.515 120.410 119.914 -0.032 0.000 2.426 201 V HA -0.087 4.036 4.120 0.004 0.000 0.242 201 V C 1.971 178.030 176.094 -0.058 0.000 1.036 201 V CA 1.334 63.602 62.300 -0.055 0.000 1.044 201 V CB -0.086 31.701 31.823 -0.061 0.000 0.688 201 V HN 0.251 nan 8.190 nan 0.000 0.462 202 L N -0.175 121.024 121.223 -0.040 0.000 2.638 202 L HA 0.284 4.627 4.340 0.004 0.000 0.232 202 L C 2.443 179.304 176.870 -0.015 0.000 1.099 202 L CA 0.765 55.582 54.840 -0.038 0.000 0.883 202 L CB -0.538 41.494 42.059 -0.044 0.000 1.136 202 L HN 0.427 nan 8.230 nan 0.000 0.492 203 G N 1.981 110.782 108.800 0.002 0.000 2.503 203 G HA2 -0.216 3.747 3.960 0.004 0.000 0.221 203 G HA3 -0.216 3.747 3.960 0.004 0.000 0.221 203 G C -0.941 173.990 174.900 0.051 0.000 1.131 203 G CA 0.779 45.896 45.100 0.028 0.000 0.756 203 G HN 0.301 nan 8.290 nan 0.000 0.572 204 P HA 0.112 nan 4.420 nan 0.000 0.237 204 P C 1.180 178.579 177.300 0.165 0.000 1.178 204 P CA 0.607 63.766 63.100 0.100 0.000 0.766 204 P CB 0.067 31.708 31.700 -0.098 0.000 0.876 205 L N -2.497 118.764 121.223 0.063 0.000 2.808 205 L HA 0.373 4.715 4.340 0.004 0.000 0.246 205 L C 0.769 177.646 176.870 0.012 0.000 1.153 205 L CA -0.353 54.515 54.840 0.048 0.000 0.956 205 L CB 0.167 42.228 42.059 0.003 0.000 1.270 205 L HN -0.175 nan 8.230 nan 0.000 0.528 206 A N -1.007 121.817 122.820 0.006 0.000 2.374 206 A HA 0.443 4.766 4.320 0.004 0.000 0.317 206 A C 0.059 177.619 177.584 -0.040 0.000 1.094 206 A CA -0.537 51.467 52.037 -0.054 0.000 0.765 206 A CB 0.979 19.934 19.000 -0.075 0.000 1.268 206 A HN 0.035 nan 8.150 nan 0.000 0.438 207 D N -0.265 120.068 120.400 -0.111 0.000 2.183 207 D HA 0.056 4.699 4.640 0.004 0.000 0.203 207 D C -0.008 176.357 176.300 0.109 0.000 0.969 207 D CA 2.168 56.109 54.000 -0.098 0.000 0.842 207 D CB -0.008 40.543 40.800 -0.415 0.000 0.957 207 D HN 0.660 nan 8.370 nan 0.000 0.484 208 Y N -1.599 118.720 120.300 0.032 0.000 2.571 208 Y HA 0.608 5.160 4.550 0.004 0.000 0.341 208 Y C -1.378 174.559 175.900 0.062 0.000 1.076 208 Y CA -1.327 56.815 58.100 0.069 0.000 1.029 208 Y CB 0.994 39.509 38.460 0.092 0.000 1.308 208 Y HN -0.343 nan 8.280 nan 0.000 0.461 209 L N 2.763 124.134 121.223 0.247 0.000 2.333 209 L HA 0.814 5.157 4.340 0.004 0.000 0.269 209 L C -1.075 175.942 176.870 0.244 0.000 1.010 209 L CA -1.538 53.392 54.840 0.150 0.000 0.818 209 L CB 2.277 44.398 42.059 0.103 0.000 1.306 209 L HN 0.608 nan 8.230 nan 0.000 0.430 210 V N 2.232 122.257 119.914 0.186 0.000 2.487 210 V HA 0.312 4.434 4.120 0.004 0.000 0.298 210 V C -0.165 175.999 176.094 0.118 0.000 1.028 210 V CA -0.733 61.672 62.300 0.175 0.000 0.860 210 V CB 1.953 33.899 31.823 0.204 0.000 0.991 210 V HN 0.383 nan 8.190 nan 0.000 0.427 211 V N 4.256 124.204 119.914 0.056 0.000 2.353 211 V HA 0.252 4.375 4.120 0.004 0.000 0.264 211 V C 0.410 176.502 176.094 -0.003 0.000 1.049 211 V CA -0.368 61.909 62.300 -0.038 0.000 0.896 211 V CB 0.918 32.613 31.823 -0.213 0.000 1.025 211 V HN 0.871 nan 8.190 nan 0.000 0.475 212 N N 5.051 123.834 118.700 0.139 0.000 2.469 212 N HA 0.151 4.894 4.740 0.004 0.000 0.239 212 N C 0.195 175.833 175.510 0.213 0.000 1.053 212 N CA -0.403 52.759 53.050 0.188 0.000 0.937 212 N CB 1.501 40.150 38.487 0.269 0.000 1.163 212 N HN 0.503 nan 8.380 nan 0.000 0.509 213 V N 1.322 121.295 119.914 0.098 0.000 3.099 213 V HA 0.329 4.452 4.120 0.004 0.000 0.356 213 V C 0.631 176.788 176.094 0.104 0.000 1.364 213 V CA 0.242 62.603 62.300 0.101 0.000 1.229 213 V CB -0.681 31.138 31.823 -0.005 0.000 1.227 213 V HN 0.572 nan 8.190 nan 0.000 0.493 214 S N -2.063 113.711 115.700 0.124 0.000 2.847 214 S HA 0.251 4.723 4.470 0.004 0.000 0.254 214 S C 0.680 175.320 174.600 0.068 0.000 1.039 214 S CA 0.379 58.627 58.200 0.081 0.000 1.113 214 S CB 0.142 63.383 63.200 0.069 0.000 1.092 214 S HN 0.565 nan 8.310 nan 0.000 0.620 215 S N 4.038 119.785 115.700 0.080 0.000 2.546 215 S HA 0.210 4.683 4.470 0.004 0.000 0.290 215 S C -1.523 173.035 174.600 -0.069 0.000 1.290 215 S CA -0.649 57.529 58.200 -0.037 0.000 1.069 215 S CB 0.698 63.716 63.200 -0.302 0.000 0.846 215 S HN 0.292 nan 8.310 nan 0.000 0.495 216 P HA 0.177 nan 4.420 nan 0.000 0.257 216 P C -0.159 177.093 177.300 -0.079 0.000 1.281 216 P CA 0.179 63.249 63.100 -0.049 0.000 0.826 216 P CB 0.035 31.721 31.700 -0.023 0.000 1.237 217 N N -0.715 117.896 118.700 -0.149 0.000 2.204 217 N HA 0.088 4.831 4.740 0.004 0.000 0.219 217 N C -0.283 175.113 175.510 -0.189 0.000 1.151 217 N CA 0.284 53.245 53.050 -0.148 0.000 0.867 217 N CB 0.726 39.132 38.487 -0.135 0.000 1.043 217 N HN -0.015 nan 8.380 nan 0.000 0.516 218 T N 0.583 115.013 114.554 -0.207 0.000 2.840 218 T HA 0.496 4.849 4.350 0.004 0.000 0.287 218 T C -0.048 174.625 174.700 -0.044 0.000 0.991 218 T CA -0.631 61.389 62.100 -0.133 0.000 0.964 218 T CB 2.056 70.812 68.868 -0.187 0.000 0.954 218 T HN 0.149 nan 8.240 nan 0.000 0.438 219 A N 2.040 124.851 122.820 -0.014 0.000 2.546 219 A HA 0.503 4.825 4.320 0.004 0.000 0.243 219 A C 1.645 179.241 177.584 0.020 0.000 1.063 219 A CA 0.681 52.719 52.037 0.002 0.000 0.757 219 A CB -0.800 18.204 19.000 0.008 0.000 0.991 219 A HN 1.699 nan 8.150 nan 0.000 0.503 220 G N 1.243 110.056 108.800 0.022 0.000 2.245 220 G HA2 -0.299 3.663 3.960 0.004 0.000 0.264 220 G HA3 -0.299 3.663 3.960 0.004 0.000 0.264 220 G C 0.925 175.857 174.900 0.053 0.000 0.985 220 G CA 0.853 45.975 45.100 0.036 0.000 0.625 220 G HN 1.319 nan 8.290 nan 0.000 0.536 221 L N 0.625 121.884 121.223 0.059 0.000 2.017 221 L HA 0.148 4.491 4.340 0.004 0.000 0.208 221 L C 2.850 179.770 176.870 0.084 0.000 1.073 221 L CA 2.836 57.737 54.840 0.101 0.000 0.745 221 L CB -0.399 41.727 42.059 0.111 0.000 0.894 221 L HN 0.380 nan 8.230 nan 0.000 0.432 222 R N -0.915 119.616 120.500 0.052 0.000 2.193 222 R HA -0.116 4.227 4.340 0.004 0.000 0.229 222 R C 2.382 178.703 176.300 0.035 0.000 1.110 222 R CA 1.181 57.305 56.100 0.041 0.000 0.988 222 R CB -0.465 29.851 30.300 0.026 0.000 0.871 222 R HN 0.626 nan 8.270 nan 0.000 0.458 223 S N 0.783 116.505 115.700 0.036 0.000 2.469 223 S HA -0.063 4.409 4.470 0.004 0.000 0.238 223 S C 1.849 176.469 174.600 0.033 0.000 0.998 223 S CA 0.709 58.928 58.200 0.031 0.000 0.957 223 S CB -0.282 62.935 63.200 0.030 0.000 0.764 223 S HN 0.279 nan 8.310 nan 0.000 0.514 224 L N 0.523 121.773 121.223 0.045 0.000 2.450 224 L HA -0.051 4.292 4.340 0.004 0.000 0.224 224 L C 2.697 179.572 176.870 0.009 0.000 1.149 224 L CA 0.950 55.810 54.840 0.034 0.000 0.816 224 L CB -0.597 41.492 42.059 0.051 0.000 0.932 224 L HN 0.440 nan 8.230 nan 0.000 0.449 225 Q N 0.060 119.868 119.800 0.014 0.000 2.378 225 Q HA 0.056 4.398 4.340 0.004 0.000 0.205 225 Q C 1.299 177.302 176.000 0.004 0.000 0.954 225 Q CA 0.233 56.039 55.803 0.005 0.000 0.901 225 Q CB 0.001 28.746 28.738 0.012 0.000 0.981 225 Q HN 0.512 nan 8.270 nan 0.000 0.483 226 G N 0.880 109.685 108.800 0.009 0.000 2.554 226 G HA2 -0.094 3.868 3.960 0.004 0.000 0.238 226 G HA3 -0.094 3.868 3.960 0.004 0.000 0.238 226 G C 0.336 175.238 174.900 0.003 0.000 1.259 226 G CA -0.322 44.782 45.100 0.007 0.000 0.843 226 G HN 0.119 nan 8.290 nan 0.000 0.582 227 K N 1.253 121.655 120.400 0.002 0.000 2.032 227 K HA -0.249 4.073 4.320 0.004 0.000 0.218 227 K C 2.792 179.392 176.600 0.000 0.000 1.054 227 K CA 2.121 58.408 56.287 -0.000 0.000 0.941 227 K CB -0.276 32.224 32.500 0.000 0.000 0.720 227 K HN 0.531 nan 8.250 nan 0.000 0.449 228 A N 0.624 123.446 122.820 0.003 0.000 1.873 228 A HA -0.206 4.116 4.320 0.004 0.000 0.215 228 A C 2.011 179.598 177.584 0.006 0.000 1.186 228 A CA 1.915 53.955 52.037 0.005 0.000 0.616 228 A CB -0.648 18.356 19.000 0.007 0.000 0.823 228 A HN 0.514 nan 8.150 nan 0.000 0.442 229 E N -0.668 119.537 120.200 0.009 0.000 2.049 229 E HA -0.220 4.132 4.350 0.004 0.000 0.198 229 E C 1.862 178.463 176.600 0.001 0.000 1.007 229 E CA 1.540 57.947 56.400 0.012 0.000 0.809 229 E CB -0.264 29.446 29.700 0.017 0.000 0.749 229 E HN 0.445 nan 8.360 nan 0.000 0.450 230 L N 0.873 122.092 121.223 -0.007 0.000 2.046 230 L HA -0.119 4.224 4.340 0.004 0.000 0.208 230 L C 2.360 179.216 176.870 -0.022 0.000 1.077 230 L CA 1.856 56.682 54.840 -0.023 0.000 0.747 230 L CB -0.449 41.597 42.059 -0.021 0.000 0.896 230 L HN 0.030 nan 8.230 nan 0.000 0.432 231 R N -0.558 119.935 120.500 -0.012 0.000 2.081 231 R HA -0.206 4.136 4.340 0.004 0.000 0.235 231 R C 2.567 178.863 176.300 -0.007 0.000 1.131 231 R CA 1.732 57.826 56.100 -0.010 0.000 0.960 231 R CB -0.271 30.026 30.300 -0.005 0.000 0.856 231 R HN 0.416 nan 8.270 nan 0.000 0.436 232 R N 0.475 120.975 120.500 -0.001 0.000 2.092 232 R HA -0.127 4.216 4.340 0.004 0.000 0.231 232 R C 2.340 178.644 176.300 0.006 0.000 1.119 232 R CA 1.408 57.511 56.100 0.006 0.000 0.970 232 R CB -0.372 29.936 30.300 0.012 0.000 0.864 232 R HN 0.297 nan 8.270 nan 0.000 0.440 233 L N 0.934 122.156 121.223 -0.002 0.000 2.027 233 L HA -0.069 4.274 4.340 0.004 0.000 0.206 233 L C 1.970 178.823 176.870 -0.028 0.000 1.074 233 L CA 1.647 56.482 54.840 -0.009 0.000 0.745 233 L CB -0.335 41.699 42.059 -0.042 0.000 0.898 233 L HN 0.233 nan 8.230 nan 0.000 0.433 234 L N -0.831 120.367 121.223 -0.041 0.000 2.141 234 L HA -0.153 4.189 4.340 0.004 0.000 0.209 234 L C 2.375 179.238 176.870 -0.013 0.000 1.094 234 L CA 1.436 56.253 54.840 -0.038 0.000 0.763 234 L CB -1.124 40.911 42.059 -0.039 0.000 0.908 234 L HN 0.314 nan 8.230 nan 0.000 0.437 235 T N -0.216 114.335 114.554 -0.006 0.000 2.684 235 T HA -0.271 4.081 4.350 0.004 0.000 0.267 235 T C 1.901 176.608 174.700 0.010 0.000 1.036 235 T CA 1.851 63.953 62.100 0.003 0.000 1.148 235 T CB -0.136 68.735 68.868 0.004 0.000 0.863 235 T HN 0.282 nan 8.240 nan 0.000 0.436 236 K N 0.843 121.252 120.400 0.015 0.000 2.057 236 K HA -0.085 4.238 4.320 0.004 0.000 0.207 236 K C 2.202 178.821 176.600 0.031 0.000 1.049 236 K CA 1.088 57.391 56.287 0.025 0.000 0.931 236 K CB -0.439 32.082 32.500 0.035 0.000 0.714 236 K HN 0.123 nan 8.250 nan 0.000 0.440 237 V N 1.799 121.731 119.914 0.029 0.000 2.282 237 V HA -0.282 3.840 4.120 0.004 0.000 0.249 237 V C 2.359 178.470 176.094 0.029 0.000 1.057 237 V CA 1.900 64.220 62.300 0.034 0.000 1.032 237 V CB -0.392 31.439 31.823 0.012 0.000 0.645 237 V HN 0.358 nan 8.190 nan 0.000 0.447 238 L N -0.792 120.442 121.223 0.018 0.000 2.093 238 L HA -0.201 4.142 4.340 0.004 0.000 0.208 238 L C 2.681 179.564 176.870 0.022 0.000 1.085 238 L CA 1.413 56.265 54.840 0.020 0.000 0.755 238 L CB -0.596 41.470 42.059 0.012 0.000 0.904 238 L HN 0.400 nan 8.230 nan 0.000 0.435 239 Q N -0.256 119.556 119.800 0.020 0.000 2.084 239 Q HA -0.205 4.137 4.340 0.004 0.000 0.202 239 Q C 2.138 178.152 176.000 0.023 0.000 0.978 239 Q CA 1.274 57.089 55.803 0.019 0.000 0.844 239 Q CB -0.065 28.684 28.738 0.018 0.000 0.898 239 Q HN 0.466 nan 8.270 nan 0.000 0.426 240 E N 0.521 120.738 120.200 0.027 0.000 2.077 240 E HA -0.191 4.162 4.350 0.004 0.000 0.193 240 E C 1.991 178.610 176.600 0.031 0.000 0.989 240 E CA 0.706 57.124 56.400 0.029 0.000 0.800 240 E CB -0.209 29.511 29.700 0.034 0.000 0.746 240 E HN 0.200 nan 8.360 nan 0.000 0.452 241 R N 1.371 121.893 120.500 0.036 0.000 2.092 241 R HA -0.128 4.214 4.340 0.004 0.000 0.231 241 R C 1.168 177.492 176.300 0.039 0.000 1.119 241 R CA 1.264 57.389 56.100 0.041 0.000 0.970 241 R CB -0.204 30.123 30.300 0.046 0.000 0.864 241 R HN 0.053 nan 8.270 nan 0.000 0.440 242 D N -0.648 119.771 120.400 0.031 0.000 2.269 242 D HA -0.029 4.613 4.640 0.004 0.000 0.208 242 D C 1.434 177.751 176.300 0.027 0.000 0.963 242 D CA 1.157 55.174 54.000 0.028 0.000 0.864 242 D CB -0.243 40.570 40.800 0.021 0.000 0.936 242 D HN 0.462 nan 8.370 nan 0.000 0.505 243 G N -0.015 108.801 108.800 0.026 0.000 2.848 243 G HA2 0.067 4.030 3.960 0.004 0.000 0.208 243 G HA3 0.067 4.030 3.960 0.004 0.000 0.208 243 G C 0.710 175.626 174.900 0.026 0.000 1.152 243 G CA -0.119 44.995 45.100 0.022 0.000 0.789 243 G HN 0.176 nan 8.290 nan 0.000 0.531 244 L N 0.399 121.644 121.223 0.036 0.000 2.418 244 L HA 0.378 4.720 4.340 0.004 0.000 0.265 244 L C 0.797 177.706 176.870 0.064 0.000 1.143 244 L CA -0.928 53.942 54.840 0.049 0.000 0.809 244 L CB 0.846 42.946 42.059 0.069 0.000 1.124 244 L HN 0.035 nan 8.230 nan 0.000 0.456 245 R N 1.352 121.902 120.500 0.084 0.000 2.734 245 R HA 0.039 4.381 4.340 0.004 0.000 0.266 245 R C 1.328 177.689 176.300 0.101 0.000 1.044 245 R CA -0.442 55.715 56.100 0.096 0.000 1.128 245 R CB 0.499 30.879 30.300 0.135 0.000 1.010 245 R HN 0.587 nan 8.270 nan 0.000 0.461 246 R N 1.375 121.910 120.500 0.058 0.000 2.091 246 R HA -0.140 4.202 4.340 0.004 0.000 0.238 246 R C 1.767 178.066 176.300 -0.003 0.000 1.136 246 R CA 1.979 58.095 56.100 0.027 0.000 0.959 246 R CB -1.170 29.136 30.300 0.010 0.000 0.856 246 R HN 0.589 nan 8.270 nan 0.000 0.437 247 V N -0.775 119.111 119.914 -0.046 0.000 3.141 247 V HA -0.033 4.090 4.120 0.004 0.000 0.265 247 V C 1.009 176.903 176.094 -0.333 0.000 1.126 247 V CA 1.240 63.432 62.300 -0.180 0.000 1.141 247 V CB -0.753 30.925 31.823 -0.242 0.000 0.743 247 V HN 0.275 nan 8.190 nan 0.000 0.492 248 H N 0.750 119.835 119.070 0.024 0.000 2.487 248 H HA 0.440 4.999 4.556 0.004 0.000 0.290 248 H C 0.337 175.684 175.328 0.031 0.000 1.081 248 H CA -0.218 55.844 56.048 0.024 0.000 1.116 248 H CB 0.341 30.111 29.762 0.013 0.000 1.560 248 H HN 0.439 nan 8.280 nan 0.000 0.548 249 R N 3.011 123.569 120.500 0.097 0.000 2.215 249 R HA 0.213 4.555 4.340 0.004 0.000 0.337 249 R C -2.512 173.844 176.300 0.094 0.000 1.010 249 R CA -1.491 54.662 56.100 0.088 0.000 0.871 249 R CB 0.945 31.282 30.300 0.062 0.000 1.134 249 R HN 0.095 nan 8.270 nan 0.000 0.477 250 P HA 0.180 nan 4.420 nan 0.000 0.279 250 P C -0.836 176.547 177.300 0.139 0.000 1.252 250 P CA -0.472 62.706 63.100 0.131 0.000 0.811 250 P CB 1.174 32.939 31.700 0.108 0.000 1.035 251 A N 1.410 124.343 122.820 0.187 0.000 2.406 251 A HA 0.380 4.702 4.320 0.004 0.000 0.243 251 A C -0.114 177.564 177.584 0.156 0.000 1.082 251 A CA -0.138 51.993 52.037 0.157 0.000 0.786 251 A CB -0.086 19.020 19.000 0.177 0.000 1.029 251 A HN 0.365 nan 8.150 nan 0.000 0.495 252 V N 2.181 122.157 119.914 0.103 0.000 2.540 252 V HA 0.497 4.620 4.120 0.004 0.000 0.302 252 V C -0.614 175.516 176.094 0.059 0.000 1.035 252 V CA -0.259 62.097 62.300 0.093 0.000 0.873 252 V CB 1.215 33.074 31.823 0.059 0.000 0.992 252 V HN 0.737 nan 8.190 nan 0.000 0.428 253 L N 4.661 125.927 121.223 0.070 0.000 2.323 253 L HA 0.755 5.097 4.340 0.004 0.000 0.265 253 L C -0.476 176.412 176.870 0.029 0.000 1.012 253 L CA -0.624 54.233 54.840 0.028 0.000 0.820 253 L CB 2.267 44.324 42.059 -0.004 0.000 1.334 253 L HN 0.363 nan 8.230 nan 0.000 0.427 254 V N 1.170 121.087 119.914 0.006 0.000 2.540 254 V HA 0.452 4.575 4.120 0.004 0.000 0.302 254 V C -0.331 175.773 176.094 0.018 0.000 1.035 254 V CA -0.882 61.417 62.300 -0.001 0.000 0.873 254 V CB 1.781 33.590 31.823 -0.023 0.000 0.992 254 V HN 0.627 nan 8.190 nan 0.000 0.428 255 K N 5.513 125.935 120.400 0.037 0.000 2.213 255 K HA 0.702 5.025 4.320 0.004 0.000 0.270 255 K C -0.586 176.043 176.600 0.049 0.000 1.002 255 K CA -0.481 55.839 56.287 0.055 0.000 0.868 255 K CB 1.091 33.645 32.500 0.089 0.000 1.093 255 K HN 0.775 nan 8.250 nan 0.000 0.454 256 I N 0.280 120.875 120.570 0.042 0.000 3.023 256 I HA 0.710 4.883 4.170 0.004 0.000 0.312 256 I C -0.451 175.691 176.117 0.041 0.000 1.056 256 I CA -1.207 60.115 61.300 0.036 0.000 1.033 256 I CB 2.024 40.038 38.000 0.024 0.000 1.233 256 I HN 0.591 nan 8.210 nan 0.000 0.462 257 A N 3.133 125.975 122.820 0.036 0.000 2.271 257 A HA 0.659 4.981 4.320 0.004 0.000 0.288 257 A C -1.915 175.687 177.584 0.029 0.000 1.094 257 A CA -1.521 50.536 52.037 0.033 0.000 0.828 257 A CB -0.184 18.832 19.000 0.028 0.000 1.091 257 A HN 0.743 nan 8.150 nan 0.000 0.493 258 P HA 0.059 nan 4.420 nan 0.000 0.249 258 P C -0.261 177.050 177.300 0.019 0.000 1.229 258 P CA 0.680 63.794 63.100 0.024 0.000 0.788 258 P CB 0.295 32.009 31.700 0.023 0.000 1.072 259 D N -0.121 120.289 120.400 0.017 0.000 2.525 259 D HA 0.189 4.832 4.640 0.004 0.000 0.229 259 D C 0.584 176.892 176.300 0.013 0.000 1.202 259 D CA -0.025 53.983 54.000 0.013 0.000 0.828 259 D CB 0.382 41.188 40.800 0.011 0.000 1.008 259 D HN 0.232 nan 8.370 nan 0.000 0.493 260 L N 0.895 122.127 121.223 0.015 0.000 2.399 260 L HA 0.222 4.564 4.340 0.004 0.000 0.266 260 L C 1.423 178.300 176.870 0.012 0.000 1.114 260 L CA -0.501 54.348 54.840 0.014 0.000 0.804 260 L CB 1.081 43.149 42.059 0.016 0.000 1.146 260 L HN -0.023 nan 8.230 nan 0.000 0.451 261 T N -1.725 112.836 114.554 0.011 0.000 2.766 261 T HA 0.072 4.424 4.350 0.004 0.000 0.295 261 T C 1.192 175.899 174.700 0.011 0.000 1.024 261 T CA -0.512 61.594 62.100 0.010 0.000 1.018 261 T CB 1.045 69.918 68.868 0.008 0.000 1.002 261 T HN 0.560 nan 8.240 nan 0.000 0.532 262 S N 0.254 115.961 115.700 0.011 0.000 2.370 262 S HA -0.172 4.300 4.470 0.004 0.000 0.226 262 S C 2.076 176.683 174.600 0.010 0.000 1.033 262 S CA 1.560 59.767 58.200 0.012 0.000 1.011 262 S CB -0.613 62.594 63.200 0.011 0.000 0.852 262 S HN 0.863 nan 8.310 nan 0.000 0.457 263 Q N 1.622 121.427 119.800 0.008 0.000 2.084 263 Q HA -0.140 4.202 4.340 0.004 0.000 0.202 263 Q C 1.318 177.322 176.000 0.006 0.000 0.978 263 Q CA 1.731 57.538 55.803 0.007 0.000 0.844 263 Q CB -0.407 28.334 28.738 0.006 0.000 0.898 263 Q HN 0.354 nan 8.270 nan 0.000 0.426 264 D N 0.068 120.472 120.400 0.008 0.000 2.097 264 D HA -0.143 4.500 4.640 0.004 0.000 0.195 264 D C 1.650 177.954 176.300 0.007 0.000 0.989 264 D CA 1.300 55.304 54.000 0.007 0.000 0.827 264 D CB -0.072 40.733 40.800 0.009 0.000 0.966 264 D HN 0.343 nan 8.370 nan 0.000 0.456 265 K N 0.593 120.999 120.400 0.010 0.000 2.057 265 K HA -0.112 4.210 4.320 0.004 0.000 0.207 265 K C 2.128 178.732 176.600 0.007 0.000 1.049 265 K CA 0.923 57.216 56.287 0.011 0.000 0.931 265 K CB -0.031 32.479 32.500 0.017 0.000 0.714 265 K HN 0.221 nan 8.250 nan 0.000 0.440 266 E N 0.842 121.045 120.200 0.006 0.000 2.085 266 E HA -0.197 4.156 4.350 0.004 0.000 0.194 266 E C 1.614 178.213 176.600 -0.002 0.000 0.994 266 E CA 1.342 57.743 56.400 0.002 0.000 0.801 266 E CB -0.035 29.667 29.700 0.003 0.000 0.743 266 E HN 0.265 nan 8.360 nan 0.000 0.453 267 D N 0.552 120.952 120.400 -0.000 0.000 2.144 267 D HA -0.109 4.533 4.640 0.004 0.000 0.200 267 D C 1.965 178.261 176.300 -0.005 0.000 0.978 267 D CA 0.773 54.772 54.000 -0.003 0.000 0.833 267 D CB -0.152 40.648 40.800 -0.000 0.000 0.961 267 D HN 0.180 nan 8.370 nan 0.000 0.470 268 I N 1.102 121.670 120.570 -0.004 0.000 2.179 268 I HA -0.254 3.919 4.170 0.004 0.000 0.242 268 I C 2.456 178.566 176.117 -0.012 0.000 1.088 268 I CA 1.058 62.354 61.300 -0.007 0.000 1.357 268 I CB -0.204 37.794 38.000 -0.003 0.000 1.051 268 I HN -0.072 nan 8.210 nan 0.000 0.409 269 A N -0.226 122.588 122.820 -0.012 0.000 1.908 269 A HA -0.265 4.058 4.320 0.004 0.000 0.218 269 A C 2.495 180.065 177.584 -0.023 0.000 1.181 269 A CA 2.340 54.365 52.037 -0.020 0.000 0.627 269 A CB -0.878 18.110 19.000 -0.020 0.000 0.818 269 A HN 0.427 nan 8.150 nan 0.000 0.445 270 S N -0.744 114.946 115.700 -0.017 0.000 2.368 270 S HA -0.117 4.356 4.470 0.004 0.000 0.224 270 S C 1.911 176.500 174.600 -0.017 0.000 1.029 270 S CA 1.600 59.790 58.200 -0.017 0.000 0.988 270 S CB -0.515 62.677 63.200 -0.012 0.000 0.838 270 S HN 0.284 nan 8.310 nan 0.000 0.462 271 V N 1.461 121.366 119.914 -0.015 0.000 2.343 271 V HA -0.115 4.008 4.120 0.004 0.000 0.247 271 V C 2.538 178.621 176.094 -0.019 0.000 1.051 271 V CA 1.773 64.064 62.300 -0.015 0.000 1.036 271 V CB -0.699 31.116 31.823 -0.014 0.000 0.654 271 V HN 0.436 nan 8.190 nan 0.000 0.451 272 V N -0.273 119.628 119.914 -0.021 0.000 2.332 272 V HA -0.305 3.818 4.120 0.004 0.000 0.248 272 V C 2.409 178.486 176.094 -0.027 0.000 1.055 272 V CA 2.234 64.519 62.300 -0.025 0.000 1.038 272 V CB -0.614 31.192 31.823 -0.027 0.000 0.651 272 V HN 0.560 nan 8.190 nan 0.000 0.450 273 K N -0.310 120.072 120.400 -0.030 0.000 2.062 273 K HA -0.147 4.175 4.320 0.004 0.000 0.205 273 K C 2.229 178.814 176.600 -0.025 0.000 1.051 273 K CA 1.281 57.549 56.287 -0.032 0.000 0.941 273 K CB -0.204 32.273 32.500 -0.037 0.000 0.719 273 K HN 0.489 nan 8.250 nan 0.000 0.440 274 E N 1.035 121.223 120.200 -0.020 0.000 2.118 274 E HA -0.185 4.168 4.350 0.004 0.000 0.195 274 E C 1.497 178.089 176.600 -0.014 0.000 0.992 274 E CA 1.023 57.414 56.400 -0.016 0.000 0.804 274 E CB 0.135 29.827 29.700 -0.013 0.000 0.741 274 E HN 0.271 nan 8.360 nan 0.000 0.458 275 L N -0.844 120.370 121.223 -0.014 0.000 2.585 275 L HA 0.235 4.577 4.340 0.004 0.000 0.226 275 L C 1.291 178.155 176.870 -0.011 0.000 1.113 275 L CA 0.317 55.150 54.840 -0.011 0.000 0.876 275 L CB 0.397 42.449 42.059 -0.011 0.000 1.072 275 L HN 0.321 nan 8.230 nan 0.000 0.468 276 G N 1.416 110.207 108.800 -0.015 0.000 2.221 276 G HA2 -0.256 3.707 3.960 0.004 0.000 0.265 276 G HA3 -0.256 3.707 3.960 0.004 0.000 0.265 276 G C 0.357 175.249 174.900 -0.012 0.000 1.041 276 G CA -0.336 44.755 45.100 -0.015 0.000 0.807 276 G HN 0.159 nan 8.290 nan 0.000 0.502 277 I N 0.802 121.364 120.570 -0.014 0.000 2.919 277 I HA -0.033 4.139 4.170 0.004 0.000 0.303 277 I C 1.310 177.418 176.117 -0.014 0.000 1.221 277 I CA 0.560 61.853 61.300 -0.012 0.000 1.444 277 I CB 0.385 38.375 38.000 -0.017 0.000 1.331 277 I HN 0.214 nan 8.210 nan 0.000 0.572 278 D N 4.445 124.842 120.400 -0.005 0.000 2.277 278 D HA 0.100 4.742 4.640 0.004 0.000 0.208 278 D C 0.957 177.237 176.300 -0.033 0.000 0.962 278 D CA 0.675 54.669 54.000 -0.010 0.000 0.865 278 D CB 0.763 41.570 40.800 0.013 0.000 0.939 278 D HN 0.763 nan 8.370 nan 0.000 0.510 279 G N -0.405 108.372 108.800 -0.039 0.000 2.441 279 G HA2 0.502 4.465 3.960 0.004 0.000 0.294 279 G HA3 0.502 4.465 3.960 0.004 0.000 0.294 279 G C -1.948 172.922 174.900 -0.050 0.000 1.393 279 G CA -0.795 44.268 45.100 -0.062 0.000 0.796 279 G HN 0.019 nan 8.290 nan 0.000 0.494 280 L N 0.163 121.355 121.223 -0.050 0.000 2.370 280 L HA 0.623 4.966 4.340 0.004 0.000 0.266 280 L C -0.369 176.484 176.870 -0.028 0.000 1.002 280 L CA -1.007 53.817 54.840 -0.027 0.000 0.818 280 L CB 2.341 44.393 42.059 -0.011 0.000 1.325 280 L HN 0.338 nan 8.230 nan 0.000 0.418 281 I N 2.892 123.462 120.570 -0.000 0.000 2.354 281 I HA 0.405 4.578 4.170 0.004 0.000 0.292 281 I C -0.783 175.354 176.117 0.034 0.000 0.989 281 I CA -0.665 60.648 61.300 0.021 0.000 1.188 281 I CB 1.851 39.885 38.000 0.056 0.000 1.342 281 I HN 0.197 nan 8.210 nan 0.000 0.457 282 V N 5.318 125.253 119.914 0.035 0.000 2.445 282 V HA 0.430 4.553 4.120 0.004 0.000 0.283 282 V C -0.042 176.077 176.094 0.042 0.000 1.014 282 V CA -0.346 61.976 62.300 0.037 0.000 0.852 282 V CB 1.659 33.502 31.823 0.033 0.000 1.021 282 V HN 0.953 nan 8.190 nan 0.000 0.435 283 T N 0.326 114.909 114.554 0.047 0.000 2.816 283 T HA 0.515 4.867 4.350 0.004 0.000 0.299 283 T C -0.328 174.406 174.700 0.057 0.000 1.230 283 T CA -0.735 61.394 62.100 0.048 0.000 1.007 283 T CB 2.260 71.152 68.868 0.040 0.000 1.289 283 T HN 0.314 nan 8.240 nan 0.000 0.508 284 N N 0.495 119.230 118.700 0.058 0.000 2.294 284 N HA 0.297 5.039 4.740 0.004 0.000 0.275 284 N C 0.349 175.889 175.510 0.050 0.000 1.291 284 N CA 0.299 53.388 53.050 0.064 0.000 0.933 284 N CB 0.768 39.296 38.487 0.068 0.000 1.096 284 N HN 0.969 nan 8.380 nan 0.000 0.525 285 T N -2.418 112.164 114.554 0.046 0.000 2.828 285 T HA 0.186 4.538 4.350 0.004 0.000 0.290 285 T C 0.478 175.192 174.700 0.024 0.000 1.019 285 T CA -0.519 61.600 62.100 0.031 0.000 1.031 285 T CB 0.814 69.698 68.868 0.027 0.000 1.001 285 T HN 0.374 nan 8.240 nan 0.000 0.531 286 T N 0.169 114.734 114.554 0.018 0.000 2.867 286 T HA 0.372 4.724 4.350 0.004 0.000 0.282 286 T C 1.235 175.938 174.700 0.006 0.000 1.000 286 T CA -0.391 61.716 62.100 0.013 0.000 1.042 286 T CB 0.815 69.690 68.868 0.011 0.000 0.973 286 T HN 0.819 nan 8.240 nan 0.000 0.465 287 V N 2.516 122.432 119.914 0.003 0.000 3.541 287 V HA 0.245 4.367 4.120 0.004 0.000 0.267 287 V C 1.168 177.259 176.094 -0.005 0.000 1.213 287 V CA 0.562 62.860 62.300 -0.003 0.000 1.149 287 V CB -1.214 30.606 31.823 -0.005 0.000 0.822 287 V HN 0.835 nan 8.190 nan 0.000 0.462 288 S N 1.360 117.058 115.700 -0.002 0.000 2.608 288 S HA 0.495 4.968 4.470 0.004 0.000 0.261 288 S C 0.203 174.799 174.600 -0.007 0.000 1.314 288 S CA -0.597 57.600 58.200 -0.004 0.000 0.992 288 S CB 0.886 64.086 63.200 -0.001 0.000 0.935 288 S HN 0.513 nan 8.310 nan 0.000 0.564 289 R N 1.669 122.163 120.500 -0.010 0.000 2.607 289 R HA 0.397 4.739 4.340 0.004 0.000 0.278 289 R C -2.960 173.334 176.300 -0.011 0.000 1.637 289 R CA -1.586 54.507 56.100 -0.013 0.000 1.325 289 R CB 0.389 30.677 30.300 -0.020 0.000 1.211 289 R HN 0.584 nan 8.270 nan 0.000 0.565 290 P HA -0.002 nan 4.420 nan 0.000 0.266 290 P C -0.221 177.073 177.300 -0.010 0.000 1.193 290 P CA 0.041 63.137 63.100 -0.007 0.000 0.770 290 P CB 0.592 32.288 31.700 -0.005 0.000 0.836 291 A N 2.181 124.995 122.820 -0.009 0.000 2.498 291 A HA 0.438 4.761 4.320 0.004 0.000 0.239 291 A C 1.480 179.057 177.584 -0.011 0.000 1.068 291 A CA 0.660 52.691 52.037 -0.011 0.000 0.766 291 A CB -0.921 18.074 19.000 -0.009 0.000 1.003 291 A HN 0.939 nan 8.150 nan 0.000 0.497 292 G N 0.662 109.455 108.800 -0.013 0.000 2.194 292 G HA2 -0.177 3.785 3.960 0.004 0.000 0.236 292 G HA3 -0.177 3.785 3.960 0.004 0.000 0.236 292 G C 0.178 175.068 174.900 -0.016 0.000 0.987 292 G CA 0.017 45.109 45.100 -0.014 0.000 0.635 292 G HN 0.842 nan 8.290 nan 0.000 0.520 293 L N 0.760 121.973 121.223 -0.017 0.000 2.578 293 L HA 0.118 4.461 4.340 0.004 0.000 0.279 293 L C 1.629 178.487 176.870 -0.020 0.000 1.227 293 L CA 0.235 55.064 54.840 -0.019 0.000 0.900 293 L CB 0.626 42.673 42.059 -0.019 0.000 1.144 293 L HN 0.156 nan 8.230 nan 0.000 0.496 294 Q N 2.404 122.191 119.800 -0.021 0.000 2.378 294 Q HA 0.140 4.483 4.340 0.004 0.000 0.229 294 Q C 0.946 176.934 176.000 -0.019 0.000 0.882 294 Q CA 0.215 56.006 55.803 -0.020 0.000 0.936 294 Q CB 0.523 29.249 28.738 -0.021 0.000 1.092 294 Q HN 0.817 nan 8.270 nan 0.000 0.535 295 G N 0.750 109.540 108.800 -0.017 0.000 2.321 295 G HA2 0.164 4.126 3.960 0.004 0.000 0.237 295 G HA3 0.164 4.126 3.960 0.004 0.000 0.237 295 G C 1.006 175.896 174.900 -0.016 0.000 1.282 295 G CA 0.495 45.590 45.100 -0.009 0.000 0.886 295 G HN 0.242 nan 8.290 nan 0.000 0.528 296 A N 2.309 125.122 122.820 -0.012 0.000 2.024 296 A HA -0.027 4.295 4.320 0.004 0.000 0.220 296 A C 2.022 179.579 177.584 -0.045 0.000 1.164 296 A CA 0.895 52.918 52.037 -0.023 0.000 0.643 296 A CB -0.161 18.831 19.000 -0.013 0.000 0.806 296 A HN 0.626 nan 8.150 nan 0.000 0.451 297 L N 0.069 121.265 121.223 -0.044 0.000 2.688 297 L HA 0.074 4.417 4.340 0.004 0.000 0.234 297 L C 2.116 178.915 176.870 -0.119 0.000 1.192 297 L CA 0.121 54.896 54.840 -0.109 0.000 0.984 297 L CB -0.332 41.684 42.059 -0.071 0.000 1.232 297 L HN 0.532 nan 8.230 nan 0.000 0.465 298 R N -1.245 119.210 120.500 -0.075 0.000 2.237 298 R HA -0.033 4.310 4.340 0.004 0.000 0.219 298 R C 1.306 177.557 176.300 -0.082 0.000 1.080 298 R CA 1.064 57.127 56.100 -0.061 0.000 0.995 298 R CB -0.362 29.913 30.300 -0.041 0.000 0.875 298 R HN 0.099 nan 8.270 nan 0.000 0.462 299 S N 0.609 116.245 115.700 -0.107 0.000 2.577 299 S HA 0.095 4.568 4.470 0.004 0.000 0.219 299 S C -0.306 174.198 174.600 -0.160 0.000 0.962 299 S CA -0.325 57.809 58.200 -0.110 0.000 0.921 299 S CB 0.152 63.299 63.200 -0.089 0.000 0.789 299 S HN 0.264 nan 8.310 nan 0.000 0.497 300 E N 2.626 122.675 120.200 -0.252 0.000 2.442 300 E HA 0.033 4.386 4.350 0.004 0.000 0.262 300 E C 0.182 176.667 176.600 -0.192 0.000 1.004 300 E CA 0.413 56.594 56.400 -0.365 0.000 0.928 300 E CB 0.346 29.589 29.700 -0.760 0.000 0.937 300 E HN 0.090 nan 8.360 nan 0.000 0.446 301 T N 1.576 116.047 114.554 -0.139 0.000 2.940 301 T HA 0.418 4.770 4.350 0.004 0.000 0.309 301 T C 0.446 175.134 174.700 -0.020 0.000 1.056 301 T CA 0.748 62.809 62.100 -0.065 0.000 1.137 301 T CB 0.566 69.407 68.868 -0.045 0.000 0.976 301 T HN 0.671 nan 8.240 nan 0.000 0.547 302 G N 0.991 109.786 108.800 -0.008 0.000 2.359 302 G HA2 0.398 4.361 3.960 0.004 0.000 0.303 302 G HA3 0.398 4.361 3.960 0.004 0.000 0.303 302 G C -0.398 174.508 174.900 0.009 0.000 1.293 302 G CA -0.542 44.566 45.100 0.013 0.000 0.964 302 G HN 0.887 nan 8.290 nan 0.000 0.531 303 G N -0.970 107.839 108.800 0.015 0.000 2.372 303 G HA2 0.670 4.633 3.960 0.004 0.000 0.283 303 G HA3 0.670 4.633 3.960 0.004 0.000 0.283 303 G C -0.426 174.485 174.900 0.018 0.000 1.177 303 G CA -0.198 44.910 45.100 0.013 0.000 0.842 303 G HN 1.297 nan 8.290 nan 0.000 0.503 304 L N 2.960 124.191 121.223 0.013 0.000 2.292 304 L HA 0.672 5.015 4.340 0.004 0.000 0.284 304 L C 0.559 177.437 176.870 0.013 0.000 1.065 304 L CA -0.171 54.677 54.840 0.014 0.000 0.806 304 L CB 1.383 43.448 42.059 0.010 0.000 1.175 304 L HN 0.624 nan 8.230 nan 0.000 0.431 305 S N 2.959 118.664 115.700 0.009 0.000 2.745 305 S HA 1.031 5.503 4.470 0.004 0.000 0.306 305 S C 0.117 174.733 174.600 0.028 0.000 1.137 305 S CA -0.204 58.000 58.200 0.006 0.000 0.900 305 S CB 1.235 64.414 63.200 -0.035 0.000 1.176 305 S HN 1.722 nan 8.310 nan 0.000 0.520 306 G N 1.167 109.991 108.800 0.041 0.000 2.568 306 G HA2 -0.204 3.759 3.960 0.004 0.000 0.222 306 G HA3 -0.204 3.759 3.960 0.004 0.000 0.222 306 G C 0.261 175.190 174.900 0.047 0.000 1.321 306 G CA 0.140 45.282 45.100 0.070 0.000 0.893 306 G HN 0.817 nan 8.290 nan 0.000 0.569 307 K N 0.916 121.336 120.400 0.034 0.000 2.074 307 K HA -0.097 4.225 4.320 0.004 0.000 0.209 307 K C -0.480 176.128 176.600 0.012 0.000 1.048 307 K CA 2.090 58.390 56.287 0.022 0.000 0.926 307 K CB -0.649 31.853 32.500 0.003 0.000 0.713 307 K HN 0.306 nan 8.250 nan 0.000 0.444 308 P HA -0.126 nan 4.420 nan 0.000 0.225 308 P C 0.930 178.235 177.300 0.009 0.000 1.148 308 P CA 0.774 63.876 63.100 0.003 0.000 0.779 308 P CB 0.169 31.869 31.700 -0.000 0.000 0.780 309 L N -1.090 120.143 121.223 0.016 0.000 2.529 309 L HA 0.209 4.552 4.340 0.004 0.000 0.223 309 L C 2.233 179.115 176.870 0.021 0.000 1.113 309 L CA 0.966 55.817 54.840 0.019 0.000 0.861 309 L CB -0.655 41.418 42.059 0.024 0.000 1.012 309 L HN -0.269 nan 8.230 nan 0.000 0.461 310 R N -0.239 120.274 120.500 0.022 0.000 2.080 310 R HA -0.183 4.159 4.340 0.004 0.000 0.236 310 R C 1.389 177.699 176.300 0.017 0.000 1.137 310 R CA 2.283 58.397 56.100 0.024 0.000 0.943 310 R CB -0.182 30.132 30.300 0.024 0.000 0.846 310 R HN 0.349 nan 8.270 nan 0.000 0.431 311 D N 0.212 120.619 120.400 0.012 0.000 2.249 311 D HA -0.090 4.553 4.640 0.004 0.000 0.205 311 D C 1.692 177.998 176.300 0.009 0.000 0.962 311 D CA 0.358 54.363 54.000 0.008 0.000 0.860 311 D CB -0.092 40.710 40.800 0.003 0.000 0.955 311 D HN 0.138 nan 8.370 nan 0.000 0.505 312 L N 0.558 121.788 121.223 0.011 0.000 2.042 312 L HA -0.143 4.200 4.340 0.004 0.000 0.210 312 L C 2.039 178.920 176.870 0.018 0.000 1.076 312 L CA 1.605 56.453 54.840 0.013 0.000 0.749 312 L CB -0.616 41.451 42.059 0.013 0.000 0.893 312 L HN -0.131 nan 8.230 nan 0.000 0.432 313 S N -1.334 114.378 115.700 0.021 0.000 2.345 313 S HA -0.163 4.310 4.470 0.004 0.000 0.220 313 S C 1.782 176.396 174.600 0.024 0.000 1.031 313 S CA 1.657 59.873 58.200 0.026 0.000 0.996 313 S CB -0.462 62.755 63.200 0.029 0.000 0.882 313 S HN 0.578 nan 8.310 nan 0.000 0.445 314 T N 2.436 117.001 114.554 0.018 0.000 2.759 314 T HA -0.119 4.234 4.350 0.004 0.000 0.269 314 T C 1.908 176.617 174.700 0.016 0.000 1.042 314 T CA 1.094 63.201 62.100 0.012 0.000 1.140 314 T CB -0.279 68.590 68.868 0.003 0.000 0.864 314 T HN 0.289 nan 8.240 nan 0.000 0.455 315 Q N 0.559 120.368 119.800 0.016 0.000 2.119 315 Q HA -0.044 4.298 4.340 0.004 0.000 0.201 315 Q C 2.613 178.635 176.000 0.036 0.000 0.972 315 Q CA 1.294 57.109 55.803 0.020 0.000 0.847 315 Q CB -0.803 27.943 28.738 0.014 0.000 0.903 315 Q HN 0.519 nan 8.270 nan 0.000 0.433 316 T N 1.575 116.150 114.554 0.035 0.000 2.821 316 T HA -0.059 4.294 4.350 0.004 0.000 0.267 316 T C 2.035 176.769 174.700 0.057 0.000 1.046 316 T CA 0.778 62.903 62.100 0.042 0.000 1.139 316 T CB -0.144 68.745 68.868 0.034 0.000 0.871 316 T HN 0.182 nan 8.240 nan 0.000 0.454 317 I N 0.594 121.197 120.570 0.054 0.000 2.179 317 I HA -0.169 4.004 4.170 0.004 0.000 0.242 317 I C 2.849 179.039 176.117 0.121 0.000 1.088 317 I CA 1.244 62.585 61.300 0.068 0.000 1.357 317 I CB -0.310 37.713 38.000 0.038 0.000 1.051 317 I HN 0.110 nan 8.210 nan 0.000 0.409 318 R N 0.841 121.413 120.500 0.119 0.000 2.083 318 R HA -0.255 4.087 4.340 0.004 0.000 0.237 318 R C 2.276 178.736 176.300 0.267 0.000 1.137 318 R CA 2.113 58.342 56.100 0.214 0.000 0.951 318 R CB -0.181 30.164 30.300 0.076 0.000 0.851 318 R HN 0.363 nan 8.270 nan 0.000 0.434 319 E N -0.441 119.850 120.200 0.152 0.000 2.072 319 E HA -0.180 4.172 4.350 0.004 0.000 0.191 319 E C 1.855 178.523 176.600 0.113 0.000 0.985 319 E CA 1.191 57.666 56.400 0.126 0.000 0.801 319 E CB 0.119 29.864 29.700 0.074 0.000 0.750 319 E HN 0.216 nan 8.360 nan 0.000 0.452 320 M N -0.293 119.368 119.600 0.100 0.000 2.229 320 M HA -0.113 4.370 4.480 0.004 0.000 0.264 320 M C 2.030 178.364 176.300 0.057 0.000 1.063 320 M CA 1.214 56.552 55.300 0.063 0.000 1.114 320 M CB -1.032 31.599 32.600 0.052 0.000 1.387 320 M HN 0.253 nan 8.290 nan 0.000 0.420 321 Y N 1.218 121.491 120.300 -0.044 0.000 2.145 321 Y HA -0.163 4.390 4.550 0.005 0.000 0.286 321 Y C 2.416 178.208 175.900 -0.179 0.000 1.145 321 Y CA 2.128 60.145 58.100 -0.138 0.000 1.148 321 Y CB -0.350 37.983 38.460 -0.212 0.000 0.981 321 Y HN 0.198 nan 8.280 nan 0.000 0.507 322 A N 0.327 123.179 122.820 0.053 0.000 1.883 322 A HA -0.190 4.132 4.320 0.004 0.000 0.217 322 A C 2.244 179.799 177.584 -0.049 0.000 1.186 322 A CA 1.982 54.027 52.037 0.013 0.000 0.624 322 A CB -1.247 17.872 19.000 0.198 0.000 0.822 322 A HN 0.554 nan 8.150 nan 0.000 0.444 323 L N -0.046 121.165 121.223 -0.020 0.000 2.275 323 L HA -0.103 4.239 4.340 0.004 0.000 0.215 323 L C 2.298 179.123 176.870 -0.074 0.000 1.119 323 L CA 1.550 56.371 54.840 -0.031 0.000 0.790 323 L CB -0.474 41.579 42.059 -0.010 0.000 0.919 323 L HN 0.654 nan 8.230 nan 0.000 0.443 324 T N -5.262 109.217 114.554 -0.126 0.000 3.105 324 T HA 0.142 4.494 4.350 0.004 0.000 0.253 324 T C 0.670 175.230 174.700 -0.234 0.000 1.047 324 T CA -0.313 61.693 62.100 -0.157 0.000 0.944 324 T CB 0.381 69.158 68.868 -0.152 0.000 1.016 324 T HN 0.143 nan 8.240 nan 0.000 0.544 325 Q N 0.337 119.971 119.800 -0.276 0.000 2.494 325 Q HA -0.124 4.219 4.340 0.004 0.000 0.272 325 Q C 1.240 176.962 176.000 -0.465 0.000 1.145 325 Q CA 1.042 56.667 55.803 -0.296 0.000 0.943 325 Q CB -2.220 26.415 28.738 -0.171 0.000 1.338 325 Q HN 1.087 nan 8.270 nan 0.000 0.492 326 G N -1.012 107.246 108.800 -0.904 0.000 2.175 326 G HA2 -0.421 3.541 3.960 0.004 0.000 0.265 326 G HA3 -0.421 3.541 3.960 0.004 0.000 0.265 326 G C 0.670 175.281 174.900 -0.482 0.000 0.979 326 G CA 0.743 45.129 45.100 -1.190 0.000 0.663 326 G HN 0.463 nan 8.290 nan 0.000 0.533 327 R N -1.038 119.267 120.500 -0.324 0.000 2.362 327 R HA 0.382 4.725 4.340 0.004 0.000 0.227 327 R C 0.169 176.391 176.300 -0.130 0.000 0.905 327 R CA 0.302 56.297 56.100 -0.175 0.000 1.067 327 R CB 1.008 31.228 30.300 -0.133 0.000 1.078 327 R HN 0.296 nan 8.270 nan 0.000 0.516 328 V N 2.723 122.550 119.914 -0.144 0.000 2.407 328 V HA 0.292 4.414 4.120 0.004 0.000 0.291 328 V C -2.350 173.706 176.094 -0.064 0.000 1.018 328 V CA -2.443 59.803 62.300 -0.089 0.000 0.842 328 V CB 1.747 33.521 31.823 -0.082 0.000 0.996 328 V HN -0.059 nan 8.190 nan 0.000 0.426 329 P HA 0.244 nan 4.420 nan 0.000 0.265 329 P C -0.620 176.642 177.300 -0.064 0.000 1.193 329 P CA 0.344 63.407 63.100 -0.063 0.000 0.765 329 P CB 0.497 32.136 31.700 -0.101 0.000 0.823 330 I N 3.772 124.316 120.570 -0.044 0.000 2.433 330 I HA 0.364 4.537 4.170 0.004 0.000 0.292 330 I C 0.109 176.179 176.117 -0.079 0.000 1.001 330 I CA -0.728 60.549 61.300 -0.038 0.000 1.119 330 I CB 1.506 39.522 38.000 0.026 0.000 1.289 330 I HN 0.118 nan 8.210 nan 0.000 0.438 331 I N 5.034 125.556 120.570 -0.080 0.000 2.321 331 I HA 0.349 4.521 4.170 0.004 0.000 0.291 331 I C 0.672 176.796 176.117 0.012 0.000 0.998 331 I CA -0.334 60.933 61.300 -0.054 0.000 1.227 331 I CB 1.447 39.417 38.000 -0.049 0.000 1.368 331 I HN 0.618 nan 8.210 nan 0.000 0.466 332 G N 6.108 114.922 108.800 0.023 0.000 2.325 332 G HA2 0.592 4.554 3.960 0.004 0.000 0.298 332 G HA3 0.592 4.554 3.960 0.004 0.000 0.298 332 G C -0.672 174.259 174.900 0.052 0.000 1.134 332 G CA -0.205 44.913 45.100 0.029 0.000 0.876 332 G HN 0.418 nan 8.290 nan 0.000 0.452 333 V N 0.309 120.254 119.914 0.052 0.000 2.969 333 V HA 0.953 5.076 4.120 0.004 0.000 0.304 333 V C 0.192 176.318 176.094 0.055 0.000 1.192 333 V CA -0.331 62.006 62.300 0.061 0.000 0.962 333 V CB 1.424 33.289 31.823 0.070 0.000 1.045 333 V HN 1.821 nan 8.190 nan 0.000 0.428 334 G N 1.132 109.967 108.800 0.057 0.000 2.789 334 G HA2 0.538 4.501 3.960 0.004 0.000 0.353 334 G HA3 0.538 4.501 3.960 0.004 0.000 0.353 334 G C 0.491 175.420 174.900 0.050 0.000 1.220 334 G CA 0.021 45.152 45.100 0.051 0.000 1.204 334 G HN 2.374 nan 8.290 nan 0.000 0.574 335 G N -0.668 108.168 108.800 0.060 0.000 2.160 335 G HA2 0.028 3.990 3.960 0.004 0.000 0.244 335 G HA3 0.028 3.990 3.960 0.004 0.000 0.244 335 G C 0.478 175.421 174.900 0.073 0.000 1.022 335 G CA 0.499 45.638 45.100 0.065 0.000 0.741 335 G HN 1.773 nan 8.290 nan 0.000 0.508 336 V N 1.172 121.134 119.914 0.079 0.000 2.432 336 V HA 0.516 4.638 4.120 0.004 0.000 0.271 336 V C 1.059 177.215 176.094 0.104 0.000 1.046 336 V CA 0.843 63.188 62.300 0.075 0.000 0.945 336 V CB 1.458 33.321 31.823 0.067 0.000 0.992 336 V HN 0.666 nan 8.190 nan 0.000 0.471 337 S N 1.723 117.481 115.700 0.096 0.000 2.847 337 S HA 0.293 4.765 4.470 0.004 0.000 0.254 337 S C 0.258 174.872 174.600 0.024 0.000 1.039 337 S CA 0.025 58.301 58.200 0.126 0.000 1.113 337 S CB 0.432 63.786 63.200 0.256 0.000 1.092 337 S HN 0.846 nan 8.310 nan 0.000 0.620 338 S N -0.402 115.297 115.700 -0.001 0.000 2.656 338 S HA 0.732 5.205 4.470 0.004 0.000 0.273 338 S C 0.991 175.571 174.600 -0.034 0.000 1.168 338 S CA -0.216 57.957 58.200 -0.044 0.000 0.817 338 S CB 0.709 63.876 63.200 -0.055 0.000 1.146 338 S HN 0.148 nan 8.310 nan 0.000 0.475 339 G N 0.244 109.017 108.800 -0.046 0.000 2.418 339 G HA2 -0.175 3.788 3.960 0.004 0.000 0.217 339 G HA3 -0.175 3.788 3.960 0.004 0.000 0.217 339 G C 1.156 176.046 174.900 -0.017 0.000 1.158 339 G CA 1.118 46.198 45.100 -0.034 0.000 0.771 339 G HN 0.851 nan 8.290 nan 0.000 0.545 340 Q N 0.194 119.985 119.800 -0.016 0.000 2.124 340 Q HA -0.144 4.199 4.340 0.004 0.000 0.202 340 Q C 1.885 177.881 176.000 -0.006 0.000 0.977 340 Q CA 1.696 57.495 55.803 -0.008 0.000 0.850 340 Q CB -0.130 28.602 28.738 -0.010 0.000 0.901 340 Q HN 0.354 nan 8.270 nan 0.000 0.429 341 D N 0.402 120.799 120.400 -0.005 0.000 2.117 341 D HA -0.148 4.494 4.640 0.004 0.000 0.197 341 D C 1.749 178.051 176.300 0.002 0.000 0.987 341 D CA 1.411 55.413 54.000 0.003 0.000 0.829 341 D CB -0.324 40.485 40.800 0.016 0.000 0.961 341 D HN 0.425 nan 8.370 nan 0.000 0.460 342 A N 0.757 123.577 122.820 0.001 0.000 1.877 342 A HA -0.138 4.184 4.320 0.004 0.000 0.216 342 A C 2.155 179.727 177.584 -0.021 0.000 1.186 342 A CA 1.046 53.082 52.037 -0.001 0.000 0.620 342 A CB -0.727 18.273 19.000 0.001 0.000 0.822 342 A HN 0.239 nan 8.150 nan 0.000 0.443 343 L N 0.015 121.223 121.223 -0.025 0.000 2.141 343 L HA -0.075 4.267 4.340 0.004 0.000 0.209 343 L C 2.096 178.938 176.870 -0.046 0.000 1.094 343 L CA 2.063 56.876 54.840 -0.045 0.000 0.763 343 L CB -0.592 41.455 42.059 -0.021 0.000 0.908 343 L HN 0.514 nan 8.230 nan 0.000 0.437 344 E N -0.510 119.674 120.200 -0.026 0.000 2.077 344 E HA -0.256 4.096 4.350 0.004 0.000 0.193 344 E C 2.113 178.687 176.600 -0.042 0.000 0.989 344 E CA 1.457 57.840 56.400 -0.028 0.000 0.800 344 E CB -0.075 29.615 29.700 -0.016 0.000 0.746 344 E HN 0.471 nan 8.360 nan 0.000 0.452 345 K N 0.367 120.746 120.400 -0.034 0.000 2.097 345 K HA -0.106 4.217 4.320 0.004 0.000 0.205 345 K C 2.116 178.672 176.600 -0.073 0.000 1.050 345 K CA 0.775 57.039 56.287 -0.037 0.000 0.938 345 K CB -0.057 32.434 32.500 -0.015 0.000 0.718 345 K HN 0.107 nan 8.250 nan 0.000 0.442 346 I N 0.961 121.479 120.570 -0.087 0.000 2.099 346 I HA -0.332 3.841 4.170 0.004 0.000 0.239 346 I C 2.294 178.304 176.117 -0.177 0.000 1.066 346 I CA 1.480 62.700 61.300 -0.133 0.000 1.324 346 I CB -0.185 37.725 38.000 -0.149 0.000 1.037 346 I HN 0.123 nan 8.210 nan 0.000 0.401 347 R N 0.590 120.993 120.500 -0.161 0.000 2.159 347 R HA -0.130 4.213 4.340 0.004 0.000 0.237 347 R C 2.166 178.389 176.300 -0.130 0.000 1.131 347 R CA 1.289 57.303 56.100 -0.143 0.000 0.982 347 R CB -0.443 29.812 30.300 -0.075 0.000 0.868 347 R HN 0.399 nan 8.270 nan 0.000 0.453 348 A N -0.161 122.589 122.820 -0.117 0.000 2.167 348 A HA 0.144 4.466 4.320 0.004 0.000 0.214 348 A C 1.506 179.004 177.584 -0.143 0.000 1.151 348 A CA 1.204 53.199 52.037 -0.070 0.000 0.735 348 A CB 0.137 19.116 19.000 -0.035 0.000 0.802 348 A HN 0.476 nan 8.150 nan 0.000 0.467 349 G N -2.907 105.668 108.800 -0.376 0.000 2.370 349 G HA2 0.282 4.244 3.960 0.004 0.000 0.174 349 G HA3 0.282 4.244 3.960 0.004 0.000 0.174 349 G C 0.245 174.995 174.900 -0.250 0.000 1.002 349 G CA -0.010 44.621 45.100 -0.782 0.000 0.730 349 G HN 1.254 nan 8.290 nan 0.000 0.497 350 A N 0.641 123.372 122.820 -0.149 0.000 2.401 350 A HA 0.742 5.064 4.320 0.004 0.000 0.259 350 A C 1.378 178.900 177.584 -0.102 0.000 1.103 350 A CA 0.979 52.967 52.037 -0.081 0.000 0.789 350 A CB 0.757 19.724 19.000 -0.055 0.000 1.035 350 A HN 0.697 nan 8.150 nan 0.000 0.491 351 S N 1.124 116.760 115.700 -0.106 0.000 2.458 351 S HA 0.228 4.701 4.470 0.004 0.000 0.223 351 S C 0.434 174.918 174.600 -0.193 0.000 1.019 351 S CA 0.573 58.684 58.200 -0.148 0.000 0.937 351 S CB -0.333 62.761 63.200 -0.176 0.000 0.788 351 S HN 0.588 nan 8.310 nan 0.000 0.511 352 L N 0.588 121.698 121.223 -0.188 0.000 2.409 352 L HA 0.704 5.046 4.340 0.004 0.000 0.255 352 L C -0.898 175.992 176.870 0.032 0.000 1.027 352 L CA -1.088 53.669 54.840 -0.139 0.000 0.834 352 L CB 2.135 43.942 42.059 -0.419 0.000 1.426 352 L HN -0.034 nan 8.230 nan 0.000 0.411 353 V N -1.348 118.669 119.914 0.171 0.000 3.102 353 V HA 0.715 4.838 4.120 0.004 0.000 0.312 353 V C -1.147 175.066 176.094 0.199 0.000 1.135 353 V CA -0.531 61.861 62.300 0.153 0.000 1.022 353 V CB 2.070 33.944 31.823 0.085 0.000 1.056 353 V HN 0.876 nan 8.190 nan 0.000 0.436 354 Q N 1.150 121.013 119.800 0.104 0.000 2.456 354 Q HA 0.850 5.192 4.340 0.004 0.000 0.283 354 Q C -1.583 174.438 176.000 0.034 0.000 1.084 354 Q CA -0.854 54.952 55.803 0.005 0.000 0.801 354 Q CB 2.820 31.546 28.738 -0.021 0.000 1.434 354 Q HN 0.914 nan 8.270 nan 0.000 0.419 355 L N -2.497 118.736 121.223 0.016 0.000 2.415 355 L HA 0.576 4.919 4.340 0.004 0.000 0.256 355 L C -0.926 176.004 176.870 0.100 0.000 1.010 355 L CA -0.492 54.401 54.840 0.087 0.000 0.826 355 L CB 1.362 43.503 42.059 0.136 0.000 1.405 355 L HN 0.867 nan 8.230 nan 0.000 0.410 356 Y N -0.360 119.925 120.300 -0.025 0.000 3.199 356 Y HA 0.013 4.566 4.550 0.004 0.000 0.211 356 Y C 1.610 177.495 175.900 -0.025 0.000 0.959 356 Y CA 0.474 58.541 58.100 -0.056 0.000 1.528 356 Y CB 0.915 39.349 38.460 -0.044 0.000 1.487 356 Y HN 0.685 nan 8.280 nan 0.000 0.403 357 T N 1.786 116.346 114.554 0.009 0.000 2.803 357 T HA -0.194 4.158 4.350 0.004 0.000 0.269 357 T C 1.749 176.474 174.700 0.041 0.000 1.052 357 T CA 1.448 63.483 62.100 -0.109 0.000 1.136 357 T CB -0.490 68.353 68.868 -0.042 0.000 0.864 357 T HN 0.495 nan 8.240 nan 0.000 0.467 358 A N 0.923 123.834 122.820 0.152 0.000 1.969 358 A HA 0.045 4.367 4.320 0.004 0.000 0.218 358 A C 2.188 179.864 177.584 0.154 0.000 1.169 358 A CA 0.972 53.153 52.037 0.240 0.000 0.635 358 A CB -0.654 18.543 19.000 0.329 0.000 0.810 358 A HN 0.426 nan 8.150 nan 0.000 0.445 359 L N 0.477 121.767 121.223 0.111 0.000 2.083 359 L HA -0.129 4.213 4.340 0.004 0.000 0.209 359 L C 2.742 179.584 176.870 -0.047 0.000 1.083 359 L CA 2.702 57.572 54.840 0.049 0.000 0.752 359 L CB -0.760 41.316 42.059 0.029 0.000 0.899 359 L HN 0.560 nan 8.230 nan 0.000 0.433 360 T N -3.757 110.713 114.554 -0.141 0.000 2.962 360 T HA -0.134 4.218 4.350 0.004 0.000 0.270 360 T C 1.578 175.933 174.700 -0.576 0.000 1.088 360 T CA 1.355 63.257 62.100 -0.331 0.000 1.127 360 T CB -0.654 67.939 68.868 -0.458 0.000 0.883 360 T HN 0.334 nan 8.240 nan 0.000 0.493 361 F N -1.032 118.685 119.950 -0.390 0.000 2.437 361 F HA 0.378 4.907 4.527 0.004 0.000 0.288 361 F C 1.713 177.077 175.800 -0.725 0.000 1.085 361 F CA -0.339 57.216 58.000 -0.741 0.000 1.430 361 F CB 0.067 38.298 39.000 -1.283 0.000 1.120 361 F HN 0.167 nan 8.300 nan 0.000 0.556 362 W N 0.206 121.598 121.300 0.154 0.000 3.013 362 W HA 0.462 5.127 4.660 0.008 0.000 0.280 362 W C 1.318 177.849 176.519 0.019 0.000 1.249 362 W CA 0.424 57.817 57.345 0.080 0.000 1.577 362 W CB -0.235 29.253 29.460 0.047 0.000 1.057 362 W HN 0.114 nan 8.180 nan 0.000 0.613 363 G N 1.180 110.052 108.800 0.119 0.000 2.750 363 G HA2 -0.294 3.668 3.960 0.004 0.000 0.228 363 G HA3 -0.294 3.668 3.960 0.004 0.000 0.228 363 G C -1.748 173.064 174.900 -0.147 0.000 1.367 363 G CA -0.351 44.743 45.100 -0.010 0.000 0.871 363 G HN -0.070 nan 8.290 nan 0.000 0.560 364 P HA -0.021 nan 4.420 nan 0.000 0.216 364 P C -1.173 175.935 177.300 -0.320 0.000 1.150 364 P CA 2.428 65.341 63.100 -0.312 0.000 0.843 364 P CB -0.415 31.098 31.700 -0.311 0.000 0.787 365 P HA -0.073 nan 4.420 nan 0.000 0.228 365 P C 1.608 178.813 177.300 -0.159 0.000 1.151 365 P CA 0.668 63.632 63.100 -0.227 0.000 0.770 365 P CB -0.363 31.244 31.700 -0.155 0.000 0.786 366 V N -0.418 119.432 119.914 -0.106 0.000 2.594 366 V HA -0.200 3.922 4.120 0.004 0.000 0.253 366 V C 2.089 178.092 176.094 -0.151 0.000 1.069 366 V CA 1.690 63.953 62.300 -0.062 0.000 1.082 366 V CB -0.677 31.204 31.823 0.098 0.000 0.680 366 V HN -0.053 nan 8.190 nan 0.000 0.469 367 V N 0.531 120.293 119.914 -0.254 0.000 2.270 367 V HA -0.123 4.000 4.120 0.004 0.000 0.245 367 V C 2.682 178.559 176.094 -0.362 0.000 1.043 367 V CA 2.160 64.226 62.300 -0.389 0.000 1.014 367 V CB -1.457 29.937 31.823 -0.716 0.000 0.645 367 V HN 0.602 nan 8.190 nan 0.000 0.447 368 G N -0.693 107.904 108.800 -0.339 0.000 2.422 368 G HA2 -0.246 3.717 3.960 0.004 0.000 0.218 368 G HA3 -0.246 3.717 3.960 0.004 0.000 0.218 368 G C 1.625 176.263 174.900 -0.437 0.000 1.140 368 G CA 0.855 45.687 45.100 -0.447 0.000 0.775 368 G HN 0.473 nan 8.290 nan 0.000 0.545 369 K N 0.225 120.468 120.400 -0.261 0.000 2.032 369 K HA -0.091 4.232 4.320 0.004 0.000 0.209 369 K C 2.524 178.999 176.600 -0.209 0.000 1.048 369 K CA 1.509 57.675 56.287 -0.202 0.000 0.927 369 K CB -0.315 32.091 32.500 -0.157 0.000 0.712 369 K HN 0.178 nan 8.250 nan 0.000 0.441 370 V N 1.711 121.507 119.914 -0.197 0.000 2.295 370 V HA -0.260 3.862 4.120 0.004 0.000 0.246 370 V C 2.241 178.224 176.094 -0.184 0.000 1.049 370 V CA 1.926 64.139 62.300 -0.145 0.000 1.024 370 V CB -0.374 31.394 31.823 -0.092 0.000 0.648 370 V HN 0.373 nan 8.190 nan 0.000 0.447 371 K N -0.192 120.013 120.400 -0.324 0.000 2.025 371 K HA -0.184 4.138 4.320 0.004 0.000 0.207 371 K C 2.386 178.774 176.600 -0.353 0.000 1.049 371 K CA 1.599 57.656 56.287 -0.384 0.000 0.933 371 K CB -0.283 31.789 32.500 -0.713 0.000 0.714 371 K HN 0.353 nan 8.250 nan 0.000 0.438 372 R N 1.800 121.994 120.500 -0.511 0.000 2.092 372 R HA -0.149 4.193 4.340 0.004 0.000 0.231 372 R C 1.610 177.899 176.300 -0.017 0.000 1.119 372 R CA 1.659 57.698 56.100 -0.102 0.000 0.970 372 R CB 0.006 30.283 30.300 -0.038 0.000 0.864 372 R HN 0.218 nan 8.270 nan 0.000 0.440 373 E N 0.460 120.618 120.200 -0.072 0.000 2.152 373 E HA -0.175 4.177 4.350 0.004 0.000 0.192 373 E C 1.916 178.511 176.600 -0.008 0.000 0.983 373 E CA 0.955 57.336 56.400 -0.031 0.000 0.818 373 E CB -0.068 29.601 29.700 -0.052 0.000 0.758 373 E HN 0.228 nan 8.360 nan 0.000 0.467 374 L N 1.550 122.760 121.223 -0.021 0.000 2.027 374 L HA -0.162 4.180 4.340 0.004 0.000 0.206 374 L C 2.215 179.111 176.870 0.043 0.000 1.074 374 L CA 1.891 56.734 54.840 0.005 0.000 0.745 374 L CB -0.331 41.724 42.059 -0.007 0.000 0.898 374 L HN 0.045 nan 8.230 nan 0.000 0.433 375 E N -0.484 119.756 120.200 0.067 0.000 2.085 375 E HA -0.259 4.094 4.350 0.004 0.000 0.194 375 E C 2.071 178.726 176.600 0.092 0.000 0.994 375 E CA 1.245 57.708 56.400 0.105 0.000 0.801 375 E CB -0.186 29.618 29.700 0.172 0.000 0.743 375 E HN 0.630 nan 8.360 nan 0.000 0.453 376 A N 0.914 123.780 122.820 0.078 0.000 1.902 376 A HA -0.159 4.163 4.320 0.004 0.000 0.217 376 A C 2.194 179.814 177.584 0.061 0.000 1.181 376 A CA 1.183 53.257 52.037 0.062 0.000 0.623 376 A CB -0.610 18.418 19.000 0.047 0.000 0.818 376 A HN 0.304 nan 8.150 nan 0.000 0.443 377 L N -0.772 120.487 121.223 0.061 0.000 2.093 377 L HA -0.139 4.203 4.340 0.004 0.000 0.208 377 L C 2.533 179.484 176.870 0.135 0.000 1.085 377 L CA 0.801 55.688 54.840 0.077 0.000 0.755 377 L CB -0.490 41.608 42.059 0.066 0.000 0.904 377 L HN 0.367 nan 8.230 nan 0.000 0.435 378 L N -0.296 121.019 121.223 0.153 0.000 2.012 378 L HA -0.265 4.078 4.340 0.004 0.000 0.210 378 L C 2.670 179.664 176.870 0.206 0.000 1.073 378 L CA 1.558 56.552 54.840 0.258 0.000 0.748 378 L CB -0.488 41.677 42.059 0.176 0.000 0.891 378 L HN 0.218 nan 8.230 nan 0.000 0.431 379 K N -0.164 120.308 120.400 0.121 0.000 2.002 379 K HA -0.246 4.077 4.320 0.004 0.000 0.209 379 K C 2.056 178.680 176.600 0.041 0.000 1.048 379 K CA 1.675 58.006 56.287 0.073 0.000 0.930 379 K CB -0.217 32.318 32.500 0.057 0.000 0.714 379 K HN 0.293 nan 8.250 nan 0.000 0.438 380 E N 1.265 121.491 120.200 0.043 0.000 2.160 380 E HA -0.246 4.106 4.350 0.004 0.000 0.195 380 E C 1.554 178.146 176.600 -0.014 0.000 0.991 380 E CA 1.339 57.749 56.400 0.016 0.000 0.810 380 E CB 0.157 29.872 29.700 0.024 0.000 0.742 380 E HN 0.330 nan 8.360 nan 0.000 0.466 381 Q N -1.237 118.559 119.800 -0.006 0.000 2.360 381 Q HA 0.135 4.478 4.340 0.004 0.000 0.202 381 Q C 0.721 176.505 176.000 -0.360 0.000 0.915 381 Q CA 0.373 56.101 55.803 -0.124 0.000 0.943 381 Q CB 1.066 29.800 28.738 -0.007 0.000 1.064 381 Q HN 0.463 nan 8.270 nan 0.000 0.511 382 G N 0.886 109.551 108.800 -0.225 0.000 2.137 382 G HA2 -0.261 3.702 3.960 0.004 0.000 0.237 382 G HA3 -0.261 3.702 3.960 0.004 0.000 0.237 382 G C -0.257 174.460 174.900 -0.306 0.000 1.002 382 G CA -0.380 44.572 45.100 -0.247 0.000 0.702 382 G HN 0.270 nan 8.290 nan 0.000 0.515 383 F N 0.230 120.186 119.950 0.010 0.000 2.384 383 F HA 0.510 5.039 4.527 0.003 0.000 0.338 383 F C 1.819 177.629 175.800 0.016 0.000 1.103 383 F CA 0.152 58.159 58.000 0.012 0.000 1.157 383 F CB 1.518 40.525 39.000 0.012 0.000 1.167 383 F HN -0.002 nan 8.300 nan 0.000 0.529 384 G N 1.618 110.546 108.800 0.214 0.000 2.422 384 G HA2 0.336 4.299 3.960 0.004 0.000 0.218 384 G HA3 0.336 4.299 3.960 0.004 0.000 0.218 384 G C 0.495 175.466 174.900 0.118 0.000 1.140 384 G CA 0.748 45.925 45.100 0.128 0.000 0.775 384 G HN 0.986 nan 8.290 nan 0.000 0.545 385 G N -2.160 106.716 108.800 0.127 0.000 2.488 385 G HA2 0.327 4.290 3.960 0.004 0.000 0.301 385 G HA3 0.327 4.290 3.960 0.004 0.000 0.301 385 G C 0.439 175.351 174.900 0.020 0.000 1.339 385 G CA 0.173 45.319 45.100 0.076 0.000 0.803 385 G HN 0.098 nan 8.290 nan 0.000 0.482 386 V N 0.359 120.267 119.914 -0.009 0.000 2.324 386 V HA -0.201 3.921 4.120 0.004 0.000 0.250 386 V C 3.146 179.179 176.094 -0.102 0.000 1.060 386 V CA 3.062 65.318 62.300 -0.073 0.000 1.042 386 V CB -0.867 30.938 31.823 -0.030 0.000 0.650 386 V HN 0.863 nan 8.190 nan 0.000 0.450 387 T N -0.576 113.954 114.554 -0.040 0.000 2.759 387 T HA -0.193 4.159 4.350 0.004 0.000 0.269 387 T C 1.532 176.207 174.700 -0.041 0.000 1.042 387 T CA 1.614 63.692 62.100 -0.036 0.000 1.140 387 T CB -0.373 68.497 68.868 0.002 0.000 0.864 387 T HN 0.557 nan 8.240 nan 0.000 0.455 388 D N 1.221 121.612 120.400 -0.014 0.000 2.269 388 D HA 0.078 4.720 4.640 0.004 0.000 0.208 388 D C 2.139 178.387 176.300 -0.087 0.000 0.963 388 D CA 0.715 54.741 54.000 0.044 0.000 0.864 388 D CB -0.126 40.798 40.800 0.206 0.000 0.936 388 D HN 0.450 nan 8.370 nan 0.000 0.505 389 A N 0.721 123.262 122.820 -0.464 0.000 2.072 389 A HA 0.057 4.380 4.320 0.004 0.000 0.216 389 A C 1.299 178.640 177.584 -0.404 0.000 1.156 389 A CA -0.180 51.304 52.037 -0.922 0.000 0.701 389 A CB -0.310 17.927 19.000 -1.272 0.000 0.816 389 A HN 0.124 nan 8.150 nan 0.000 0.458 390 I N 0.787 121.213 120.570 -0.239 0.000 2.752 390 I HA 0.151 4.324 4.170 0.004 0.000 0.286 390 I C 1.555 177.568 176.117 -0.174 0.000 1.180 390 I CA 1.266 62.459 61.300 -0.179 0.000 1.404 390 I CB -0.263 37.678 38.000 -0.098 0.000 1.389 390 I HN 0.454 nan 8.210 nan 0.000 0.549 391 G N 4.519 113.125 108.800 -0.322 0.000 2.168 391 G HA2 -0.350 3.612 3.960 0.004 0.000 0.263 391 G HA3 -0.350 3.612 3.960 0.004 0.000 0.263 391 G C 1.109 175.985 174.900 -0.041 0.000 0.977 391 G CA 0.448 45.288 45.100 -0.434 0.000 0.659 391 G HN 0.878 nan 8.290 nan 0.000 0.533 392 A N 0.033 122.836 122.820 -0.028 0.000 2.024 392 A HA 0.051 4.374 4.320 0.004 0.000 0.220 392 A C 1.970 179.610 177.584 0.094 0.000 1.164 392 A CA 2.212 54.302 52.037 0.088 0.000 0.643 392 A CB -0.286 18.822 19.000 0.181 0.000 0.806 392 A HN 0.405 nan 8.150 nan 0.000 0.451 393 D N -0.819 119.598 120.400 0.030 0.000 2.264 393 D HA -0.096 4.547 4.640 0.004 0.000 0.208 393 D C 1.446 177.707 176.300 -0.064 0.000 0.966 393 D CA 0.917 54.891 54.000 -0.043 0.000 0.864 393 D CB -0.410 40.293 40.800 -0.161 0.000 0.933 393 D HN 0.659 nan 8.370 nan 0.000 0.499 394 H N -0.185 118.889 119.070 0.007 0.000 2.548 394 H HA 0.174 4.733 4.556 0.004 0.000 0.268 394 H C 1.305 176.676 175.328 0.071 0.000 0.975 394 H CA 0.450 56.535 56.048 0.063 0.000 1.195 394 H CB 0.602 30.458 29.762 0.156 0.000 1.397 394 H HN 0.130 nan 8.280 nan 0.000 0.572 395 R N 1.238 121.836 120.500 0.164 0.000 2.362 395 R HA 0.080 4.423 4.340 0.004 0.000 0.227 395 R C 0.802 177.148 176.300 0.076 0.000 0.905 395 R CA -0.148 56.022 56.100 0.118 0.000 1.067 395 R CB 0.660 31.030 30.300 0.118 0.000 1.078 395 R HN 0.208 nan 8.270 nan 0.000 0.516 396 R N 0.000 120.534 120.500 0.057 0.000 2.786 396 R HA 0.000 4.343 4.340 0.004 0.000 0.208 396 R CA 0.000 56.120 56.100 0.033 0.000 0.921 396 R CB 0.000 30.312 30.300 0.020 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535