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 3hj4_1_B DATA FIRST_RESID 3 DATA SEQUENCE VAKREFIRGX XAHYRASLPP PEHSVVIHEL QKRVLDIGXL AVNKAHVELF DATA SEQUENCE GSHVSGFCTP HSDADISLTY RNFSPWLQGX ERVDEQNNKR XTRFGKEASA DATA SEQUENCE XGXEDVRYIR ARIPVVQFTD GVTGIHCDVS IGNIGGVENS KILCAIRQVF DATA SEQUENCE PDFYGAYIHL VKAWGKAREV IAPERSTFNS FTVTTXALXV LQELGLLPVF DATA SEQUENCE SKPTGEFGEL TVADAEXLLQ EFKLPPIYDS LHDDDEKLGE AVFFCLQRFA DATA SEQUENCE EYYAKYDFSA GTVSLIHPRR HRTVYERVVR RHLELLGSRK RLEWEKHIAE DATA SEQUENCE HKEDGPLDEN DFSASXQNET TQRPSNSPYV VEDFVNYVNC GRRVQASRVR DATA SEQUENCE HIQQEFNRLR EXLIDKESEL KFDEVFRESD TVP 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.108 176.094 0.023 0.000 1.182 3 V CA 0.000 62.307 62.300 0.012 0.000 1.235 3 V CB 0.000 31.833 31.823 0.016 0.000 1.184 4 A N 0.559 123.395 122.820 0.027 0.000 1.902 4 A HA -0.209 4.111 4.320 0.001 0.000 0.217 4 A C 1.958 179.577 177.584 0.059 0.000 1.181 4 A CA 2.462 54.529 52.037 0.051 0.000 0.623 4 A CB -0.495 18.528 19.000 0.038 0.000 0.818 4 A HN 0.610 nan 8.150 nan 0.000 0.443 5 K N -0.425 119.967 120.400 -0.014 0.000 2.026 5 K HA -0.192 4.129 4.320 0.001 0.000 0.208 5 K C 2.360 178.921 176.600 -0.064 0.000 1.048 5 K CA 1.499 57.722 56.287 -0.107 0.000 0.929 5 K CB -0.253 32.127 32.500 -0.201 0.000 0.713 5 K HN 0.432 nan 8.250 nan 0.000 0.439 6 R N 0.498 120.977 120.500 -0.035 0.000 2.081 6 R HA -0.143 4.198 4.340 0.001 0.000 0.235 6 R C 1.855 178.168 176.300 0.022 0.000 1.131 6 R CA 1.599 57.688 56.100 -0.018 0.000 0.960 6 R CB -0.063 30.231 30.300 -0.010 0.000 0.856 6 R HN 0.220 nan 8.270 nan 0.000 0.436 7 E N -0.055 120.179 120.200 0.057 0.000 2.106 7 E HA -0.166 4.184 4.350 0.001 0.000 0.192 7 E C 1.631 178.300 176.600 0.116 0.000 0.984 7 E CA 0.783 57.225 56.400 0.070 0.000 0.806 7 E CB -0.335 29.414 29.700 0.082 0.000 0.750 7 E HN 0.311 nan 8.360 nan 0.000 0.458 8 F N 1.251 121.223 119.950 0.037 0.000 2.102 8 F HA -0.166 4.361 4.527 0.001 0.000 0.298 8 F C 2.152 178.019 175.800 0.112 0.000 1.105 8 F CA 1.254 59.329 58.000 0.125 0.000 1.239 8 F CB -0.173 38.904 39.000 0.128 0.000 0.991 8 F HN -0.078 nan 8.300 nan 0.000 0.474 9 I N -0.044 120.582 120.570 0.094 0.000 2.252 9 I HA -0.272 3.898 4.170 0.001 0.000 0.245 9 I C 2.645 178.734 176.117 -0.047 0.000 1.102 9 I CA 1.392 62.700 61.300 0.013 0.000 1.385 9 I CB -0.534 37.469 38.000 0.005 0.000 1.064 9 I HN 0.089 nan 8.210 nan 0.000 0.414 10 R N 1.304 121.779 120.500 -0.041 0.000 2.083 10 R HA -0.099 4.241 4.340 0.001 0.000 0.237 10 R C 1.464 177.684 176.300 -0.134 0.000 1.137 10 R CA 1.376 57.441 56.100 -0.059 0.000 0.951 10 R CB -0.560 29.719 30.300 -0.035 0.000 0.851 10 R HN 0.386 nan 8.270 nan 0.000 0.434 15 H N -0.962 117.960 119.070 -0.246 0.000 2.319 15 H HA -0.190 4.367 4.556 0.001 0.000 0.299 15 H C 1.920 177.189 175.328 -0.098 0.000 1.092 15 H CA 2.699 58.639 56.048 -0.180 0.000 1.302 15 H CB -0.242 29.358 29.762 -0.271 0.000 1.373 15 H HN 0.604 nan 8.280 nan 0.000 0.497 16 Y N 1.949 122.224 120.300 -0.041 0.000 2.097 16 Y HA -0.215 4.336 4.550 0.001 0.000 0.282 16 Y C 2.578 178.304 175.900 -0.291 0.000 1.152 16 Y CA 1.734 59.648 58.100 -0.310 0.000 1.136 16 Y CB -0.292 38.120 38.460 -0.081 0.000 0.975 16 Y HN 0.021 nan 8.280 nan 0.000 0.498 17 R N 0.470 120.732 120.500 -0.396 0.000 2.096 17 R HA -0.103 4.237 4.340 0.001 0.000 0.235 17 R C 2.454 178.523 176.300 -0.384 0.000 1.127 17 R CA 1.151 56.979 56.100 -0.453 0.000 0.968 17 R CB -1.334 28.852 30.300 -0.189 0.000 0.861 17 R HN 0.521 nan 8.270 nan 0.000 0.440 18 A N 1.086 123.715 122.820 -0.319 0.000 1.969 18 A HA -0.141 4.179 4.320 0.001 0.000 0.218 18 A C 2.274 179.680 177.584 -0.297 0.000 1.169 18 A CA 1.765 53.637 52.037 -0.274 0.000 0.635 18 A CB -0.400 18.439 19.000 -0.268 0.000 0.810 18 A HN 0.439 nan 8.150 nan 0.000 0.445 19 S N -0.645 114.815 115.700 -0.399 0.000 2.461 19 S HA 0.143 4.613 4.470 0.001 0.000 0.228 19 S C 0.697 175.111 174.600 -0.311 0.000 1.005 19 S CA -0.113 57.883 58.200 -0.341 0.000 0.942 19 S CB -0.619 62.272 63.200 -0.516 0.000 0.776 19 S HN 0.378 nan 8.310 nan 0.000 0.514 20 L N 2.666 123.651 121.223 -0.396 0.000 2.410 20 L HA 0.321 4.662 4.340 0.001 0.000 0.273 20 L C -2.218 174.504 176.870 -0.248 0.000 1.152 20 L CA -1.963 52.681 54.840 -0.328 0.000 0.855 20 L CB 0.182 42.013 42.059 -0.380 0.000 1.129 20 L HN 0.107 nan 8.230 nan 0.000 0.463 21 P HA 0.072 nan 4.420 nan 0.000 0.267 21 P C -2.278 174.931 177.300 -0.152 0.000 1.200 21 P CA -0.741 62.172 63.100 -0.312 0.000 0.772 21 P CB -0.157 31.204 31.700 -0.565 0.000 0.855 22 P HA 0.109 nan 4.420 nan 0.000 0.274 22 P C -1.921 175.387 177.300 0.014 0.000 1.260 22 P CA -1.218 61.860 63.100 -0.037 0.000 0.793 22 P CB -0.614 31.074 31.700 -0.021 0.000 1.048 23 P HA -0.179 nan 4.420 nan 0.000 0.216 23 P C 1.062 178.385 177.300 0.039 0.000 1.154 23 P CA 1.699 64.811 63.100 0.021 0.000 0.865 23 P CB -0.061 31.645 31.700 0.009 0.000 0.789 24 E N -2.303 117.921 120.200 0.041 0.000 2.494 24 E HA -0.104 4.246 4.350 0.001 0.000 0.193 24 E C 1.556 178.192 176.600 0.060 0.000 1.074 24 E CA 0.201 56.623 56.400 0.036 0.000 0.867 24 E CB -0.528 29.186 29.700 0.022 0.000 0.924 24 E HN 0.448 nan 8.360 nan 0.000 0.502 25 H N 1.735 120.796 119.070 -0.015 0.000 2.387 25 H HA -0.124 4.432 4.556 0.001 0.000 0.299 25 H C 2.217 177.543 175.328 -0.003 0.000 1.099 25 H CA 2.173 58.212 56.048 -0.014 0.000 1.315 25 H CB 0.103 29.863 29.762 -0.004 0.000 1.380 25 H HN 0.129 nan 8.280 nan 0.000 0.513 26 S N -0.870 114.829 115.700 -0.001 0.000 2.383 26 S HA -0.163 4.307 4.470 0.001 0.000 0.229 26 S C 2.309 176.869 174.600 -0.067 0.000 1.030 26 S CA 1.409 59.579 58.200 -0.050 0.000 1.002 26 S CB -0.962 62.237 63.200 -0.002 0.000 0.829 26 S HN 0.221 nan 8.310 nan 0.000 0.467 27 V N 1.688 121.573 119.914 -0.047 0.000 2.358 27 V HA -0.117 4.004 4.120 0.001 0.000 0.246 27 V C 2.680 178.763 176.094 -0.019 0.000 1.047 27 V CA 1.569 63.860 62.300 -0.015 0.000 1.035 27 V CB -0.830 30.985 31.823 -0.013 0.000 0.658 27 V HN 0.462 nan 8.190 nan 0.000 0.452 28 V N -0.132 119.725 119.914 -0.095 0.000 2.343 28 V HA -0.234 3.887 4.120 0.001 0.000 0.247 28 V C 2.290 178.269 176.094 -0.193 0.000 1.051 28 V CA 1.725 63.947 62.300 -0.130 0.000 1.036 28 V CB -0.498 31.240 31.823 -0.142 0.000 0.654 28 V HN 0.391 nan 8.190 nan 0.000 0.451 29 I N -0.135 120.251 120.570 -0.307 0.000 2.353 29 I HA -0.166 4.005 4.170 0.001 0.000 0.248 29 I C 2.387 178.434 176.117 -0.116 0.000 1.119 29 I CA 1.851 62.977 61.300 -0.289 0.000 1.417 29 I CB -1.400 36.377 38.000 -0.372 0.000 1.078 29 I HN 0.479 nan 8.210 nan 0.000 0.421 30 H N 1.631 120.618 119.070 -0.139 0.000 2.353 30 H HA -0.134 4.422 4.556 0.000 0.000 0.300 30 H C 2.015 177.300 175.328 -0.072 0.000 1.090 30 H CA 1.863 57.860 56.048 -0.085 0.000 1.327 30 H CB 0.249 29.972 29.762 -0.065 0.000 1.383 30 H HN 0.168 nan 8.280 nan 0.000 0.508 31 E N 0.109 120.257 120.200 -0.087 0.000 2.150 31 E HA -0.116 4.235 4.350 0.001 0.000 0.193 31 E C 2.329 178.851 176.600 -0.129 0.000 0.985 31 E CA 0.735 57.060 56.400 -0.124 0.000 0.814 31 E CB -0.300 29.381 29.700 -0.032 0.000 0.752 31 E HN 0.434 nan 8.360 nan 0.000 0.466 32 L N 1.695 122.850 121.223 -0.113 0.000 2.017 32 L HA -0.193 4.147 4.340 0.001 0.000 0.208 32 L C 2.444 179.265 176.870 -0.081 0.000 1.073 32 L CA 1.838 56.627 54.840 -0.084 0.000 0.745 32 L CB -0.613 41.386 42.059 -0.099 0.000 0.894 32 L HN 0.030 nan 8.230 nan 0.000 0.432 33 Q N 0.101 119.828 119.800 -0.121 0.000 2.096 33 Q HA -0.274 4.067 4.340 0.001 0.000 0.204 33 Q C 2.236 178.156 176.000 -0.134 0.000 0.982 33 Q CA 2.089 57.823 55.803 -0.115 0.000 0.850 33 Q CB -0.080 28.578 28.738 -0.132 0.000 0.901 33 Q HN 0.600 nan 8.270 nan 0.000 0.422 34 K N -0.104 120.172 120.400 -0.207 0.000 2.057 34 K HA -0.142 4.178 4.320 0.001 0.000 0.206 34 K C 2.327 178.864 176.600 -0.105 0.000 1.050 34 K CA 1.321 57.498 56.287 -0.183 0.000 0.935 34 K CB -0.174 32.182 32.500 -0.240 0.000 0.715 34 K HN 0.105 nan 8.250 nan 0.000 0.439 35 R N 0.825 121.272 120.500 -0.089 0.000 2.075 35 R HA -0.107 4.233 4.340 0.001 0.000 0.232 35 R C 1.941 178.215 176.300 -0.044 0.000 1.126 35 R CA 1.186 57.246 56.100 -0.067 0.000 0.963 35 R CB -0.109 30.155 30.300 -0.059 0.000 0.858 35 R HN -0.033 nan 8.270 nan 0.000 0.435 36 V N 1.260 121.181 119.914 0.011 0.000 2.427 36 V HA -0.196 3.925 4.120 0.001 0.000 0.248 36 V C 2.202 178.354 176.094 0.097 0.000 1.051 36 V CA 1.272 63.636 62.300 0.106 0.000 1.048 36 V CB -0.464 31.483 31.823 0.206 0.000 0.666 36 V HN 0.335 nan 8.190 nan 0.000 0.456 37 L N 0.507 121.743 121.223 0.022 0.000 2.083 37 L HA -0.161 4.180 4.340 0.001 0.000 0.209 37 L C 2.072 178.945 176.870 0.005 0.000 1.083 37 L CA 1.978 56.825 54.840 0.011 0.000 0.752 37 L CB -0.949 41.081 42.059 -0.048 0.000 0.899 37 L HN 0.288 nan 8.230 nan 0.000 0.433 38 D N -0.250 120.131 120.400 -0.031 0.000 2.123 38 D HA -0.214 4.427 4.640 0.001 0.000 0.196 38 D C 2.290 178.549 176.300 -0.069 0.000 0.992 38 D CA 1.943 55.914 54.000 -0.050 0.000 0.833 38 D CB -0.121 40.638 40.800 -0.069 0.000 0.954 38 D HN 0.455 nan 8.370 nan 0.000 0.455 39 I N 1.030 121.538 120.570 -0.104 0.000 2.202 39 I HA -0.093 4.077 4.170 0.001 0.000 0.242 39 I C 1.833 177.892 176.117 -0.097 0.000 1.091 39 I CA 0.700 61.868 61.300 -0.221 0.000 1.368 39 I CB -0.766 36.955 38.000 -0.464 0.000 1.058 39 I HN -0.069 nan 8.210 nan 0.000 0.410 43 A N 0.378 123.205 122.820 0.013 0.000 2.014 43 A HA 0.552 4.873 4.320 0.001 0.000 0.210 43 A C 0.610 178.210 177.584 0.027 0.000 1.188 43 A CA 1.041 53.095 52.037 0.029 0.000 0.731 43 A CB 0.418 19.481 19.000 0.105 0.000 0.858 43 A HN 0.182 nan 8.150 nan 0.000 0.464 44 V N -2.591 117.353 119.914 0.049 0.000 3.114 44 V HA 0.579 4.700 4.120 0.001 0.000 0.308 44 V C -1.329 174.802 176.094 0.062 0.000 1.168 44 V CA -1.424 60.894 62.300 0.029 0.000 1.015 44 V CB 1.336 33.187 31.823 0.047 0.000 1.050 44 V HN 0.225 nan 8.190 nan 0.000 0.433 45 N N 2.045 120.783 118.700 0.063 0.000 2.530 45 N HA 0.387 5.128 4.740 0.001 0.000 0.273 45 N C -0.356 175.238 175.510 0.141 0.000 1.173 45 N CA -0.339 52.764 53.050 0.089 0.000 0.967 45 N CB 0.417 38.950 38.487 0.077 0.000 1.109 45 N HN 0.826 nan 8.380 nan 0.000 0.453 46 K N -0.563 119.905 120.400 0.114 0.000 3.156 46 K HA -0.243 4.077 4.320 0.001 0.000 0.266 46 K C -0.669 176.020 176.600 0.149 0.000 0.966 46 K CA 0.231 56.591 56.287 0.121 0.000 0.719 46 K CB -1.478 31.095 32.500 0.121 0.000 1.333 46 K HN 0.698 nan 8.250 nan 0.000 0.468 47 A N 1.538 124.440 122.820 0.138 0.000 2.531 47 A HA 0.085 4.406 4.320 0.001 0.000 0.236 47 A C 0.170 177.845 177.584 0.151 0.000 1.062 47 A CA 0.369 52.494 52.037 0.147 0.000 0.760 47 A CB 0.196 19.268 19.000 0.120 0.000 0.995 47 A HN 0.450 nan 8.150 nan 0.000 0.501 48 H N 1.369 120.452 119.070 0.023 0.000 2.759 48 H HA 0.570 5.126 4.556 0.001 0.000 0.354 48 H C -2.026 173.286 175.328 -0.027 0.000 1.074 48 H CA -0.438 55.605 56.048 -0.009 0.000 1.226 48 H CB 1.831 31.572 29.762 -0.036 0.000 1.648 48 H HN 0.401 nan 8.280 nan 0.000 0.529 49 V N 5.302 125.001 119.914 -0.357 0.000 2.531 49 V HA 0.247 4.368 4.120 0.001 0.000 0.301 49 V C -0.435 175.525 176.094 -0.223 0.000 1.034 49 V CA -0.730 61.466 62.300 -0.173 0.000 0.865 49 V CB 1.830 33.604 31.823 -0.082 0.000 0.995 49 V HN 0.687 nan 8.190 nan 0.000 0.424 50 E N 3.924 124.102 120.200 -0.036 0.000 2.199 50 E HA 0.475 4.826 4.350 0.001 0.000 0.265 50 E C -1.116 175.554 176.600 0.117 0.000 0.882 50 E CA -0.849 55.577 56.400 0.043 0.000 0.759 50 E CB 2.708 32.477 29.700 0.115 0.000 1.148 50 E HN 0.359 nan 8.360 nan 0.000 0.412 51 L N 3.494 124.771 121.223 0.090 0.000 2.452 51 L HA 0.302 4.642 4.340 0.001 0.000 0.267 51 L C 0.084 177.109 176.870 0.258 0.000 1.188 51 L CA 0.337 55.238 54.840 0.101 0.000 0.821 51 L CB -0.143 41.940 42.059 0.039 0.000 1.102 51 L HN 0.449 nan 8.230 nan 0.000 0.470 52 F N -0.871 119.085 119.950 0.010 0.000 2.950 52 F HA 0.923 5.451 4.527 0.000 0.000 0.327 52 F C 0.403 176.227 175.800 0.041 0.000 1.197 52 F CA -0.517 57.493 58.000 0.017 0.000 0.954 52 F CB 0.626 39.615 39.000 -0.019 0.000 1.442 52 F HN 0.804 nan 8.300 nan 0.000 0.509 53 G N 0.794 109.692 108.800 0.162 0.000 2.527 53 G HA2 -0.177 3.784 3.960 0.001 0.000 0.227 53 G HA3 -0.177 3.784 3.960 0.001 0.000 0.227 53 G C 0.461 175.415 174.900 0.091 0.000 1.291 53 G CA -0.029 45.107 45.100 0.061 0.000 0.904 53 G HN 1.203 nan 8.290 nan 0.000 0.577 54 S N -0.117 115.602 115.700 0.031 0.000 2.370 54 S HA -0.142 4.329 4.470 0.001 0.000 0.226 54 S C 1.747 176.305 174.600 -0.071 0.000 1.033 54 S CA 1.963 60.156 58.200 -0.012 0.000 1.011 54 S CB -0.416 62.711 63.200 -0.122 0.000 0.852 54 S HN 0.611 nan 8.310 nan 0.000 0.457 55 H N 0.005 119.128 119.070 0.088 0.000 2.524 55 H HA 0.138 4.695 4.556 0.001 0.000 0.282 55 H C 1.987 177.361 175.328 0.076 0.000 1.016 55 H CA 0.821 56.930 56.048 0.102 0.000 1.270 55 H CB -0.049 29.767 29.762 0.091 0.000 1.394 55 H HN 0.271 nan 8.280 nan 0.000 0.568 56 V N 0.562 120.569 119.914 0.156 0.000 2.492 56 V HA -0.138 3.982 4.120 0.001 0.000 0.241 56 V C 2.573 178.710 176.094 0.072 0.000 1.041 56 V CA 1.412 63.783 62.300 0.119 0.000 1.057 56 V CB -0.250 31.657 31.823 0.140 0.000 0.711 56 V HN 0.462 nan 8.190 nan 0.000 0.468 57 S N 0.747 116.491 115.700 0.073 0.000 2.399 57 S HA 0.004 4.474 4.470 0.001 0.000 0.231 57 S C 1.864 176.335 174.600 -0.214 0.000 1.022 57 S CA 1.447 59.644 58.200 -0.005 0.000 0.983 57 S CB -0.199 63.098 63.200 0.162 0.000 0.803 57 S HN 1.284 nan 8.310 nan 0.000 0.480 58 G N 0.127 108.858 108.800 -0.115 0.000 2.176 58 G HA2 -0.236 3.725 3.960 0.001 0.000 0.253 58 G HA3 -0.236 3.725 3.960 0.001 0.000 0.253 58 G C -0.083 174.717 174.900 -0.167 0.000 0.979 58 G CA 0.134 45.148 45.100 -0.143 0.000 0.641 58 G HN 0.547 nan 8.290 nan 0.000 0.530 59 F N 1.958 121.956 119.950 0.079 0.000 2.605 59 F HA 0.534 5.062 4.527 0.001 0.000 0.352 59 F C 1.372 177.191 175.800 0.032 0.000 1.236 59 F CA -0.576 57.472 58.000 0.081 0.000 1.267 59 F CB -0.382 38.667 39.000 0.083 0.000 1.632 59 F HN 0.552 nan 8.300 nan 0.000 0.639 60 C N -0.848 118.531 119.300 0.132 0.000 3.170 60 C HA 0.879 5.339 4.460 0.001 0.000 0.319 60 C C 0.084 175.051 174.990 -0.039 0.000 1.260 60 C CA -0.761 58.238 59.018 -0.032 0.000 1.374 60 C CB 1.179 28.776 27.740 -0.238 0.000 1.739 60 C HN 0.643 nan 8.230 nan 0.000 0.479 61 T N -1.981 112.538 114.554 -0.058 0.000 2.923 61 T HA 0.695 5.046 4.350 0.001 0.000 0.281 61 T C -1.975 172.635 174.700 -0.149 0.000 0.995 61 T CA -1.398 60.653 62.100 -0.082 0.000 0.985 61 T CB 1.184 70.064 68.868 0.021 0.000 1.114 61 T HN 0.479 nan 8.240 nan 0.000 0.548 62 P HA -0.033 nan 4.420 nan 0.000 0.221 62 P C 0.459 177.644 177.300 -0.191 0.000 1.145 62 P CA 1.277 64.148 63.100 -0.382 0.000 0.795 62 P CB -0.182 31.192 31.700 -0.545 0.000 0.775 63 H N -2.634 116.514 119.070 0.130 0.000 2.542 63 H HA 0.276 4.832 4.556 0.001 0.000 0.283 63 H C 0.387 175.817 175.328 0.170 0.000 1.059 63 H CA -0.300 55.836 56.048 0.147 0.000 1.162 63 H CB -0.023 29.788 29.762 0.081 0.000 1.539 63 H HN -0.045 nan 8.280 nan 0.000 0.543 64 S N 1.525 117.365 115.700 0.234 0.000 2.568 64 S HA -0.047 4.423 4.470 0.001 0.000 0.282 64 S C 0.123 174.871 174.600 0.248 0.000 1.338 64 S CA -0.358 57.909 58.200 0.111 0.000 1.045 64 S CB 0.402 63.472 63.200 -0.216 0.000 0.873 64 S HN 0.315 nan 8.310 nan 0.000 0.516 65 D N 1.611 122.096 120.400 0.143 0.000 2.472 65 D HA 0.337 4.977 4.640 0.001 0.000 0.237 65 D C 0.028 176.408 176.300 0.134 0.000 1.141 65 D CA 0.331 54.419 54.000 0.147 0.000 0.875 65 D CB 0.422 41.292 40.800 0.117 0.000 1.192 65 D HN 0.565 nan 8.370 nan 0.000 0.450 66 A N 2.574 125.431 122.820 0.061 0.000 2.276 66 A HA 0.339 4.660 4.320 0.001 0.000 0.316 66 A C -0.365 177.081 177.584 -0.230 0.000 1.229 66 A CA -0.765 51.258 52.037 -0.024 0.000 0.851 66 A CB 0.666 19.628 19.000 -0.063 0.000 1.165 66 A HN 0.341 nan 8.150 nan 0.000 0.513 67 D N 1.809 121.959 120.400 -0.417 0.000 2.177 67 D HA 0.572 5.213 4.640 0.001 0.000 0.247 67 D C -0.532 175.335 176.300 -0.723 0.000 1.063 67 D CA 0.378 53.902 54.000 -0.793 0.000 0.867 67 D CB 1.693 41.521 40.800 -1.621 0.000 1.168 67 D HN 0.431 nan 8.370 nan 0.000 0.445 68 I N 0.777 121.117 120.570 -0.384 0.000 2.533 68 I HA 0.131 4.302 4.170 0.001 0.000 0.290 68 I C -0.158 176.044 176.117 0.141 0.000 1.056 68 I CA -0.694 60.568 61.300 -0.063 0.000 1.057 68 I CB 2.189 40.142 38.000 -0.078 0.000 1.240 68 I HN 0.095 nan 8.210 nan 0.000 0.423 69 S N 6.417 122.260 115.700 0.238 0.000 2.422 69 S HA 0.575 5.046 4.470 0.001 0.000 0.308 69 S C -0.917 173.656 174.600 -0.045 0.000 1.097 69 S CA -0.515 57.735 58.200 0.084 0.000 1.099 69 S CB 0.729 63.935 63.200 0.009 0.000 0.976 69 S HN 0.445 nan 8.310 nan 0.000 0.471 70 L N 6.500 127.646 121.223 -0.128 0.000 2.282 70 L HA 0.721 5.061 4.340 0.001 0.000 0.288 70 L C 0.202 176.928 176.870 -0.240 0.000 1.033 70 L CA 0.269 55.028 54.840 -0.136 0.000 0.807 70 L CB 1.449 43.397 42.059 -0.186 0.000 1.209 70 L HN 0.836 nan 8.230 nan 0.000 0.423 71 T N 1.405 115.818 114.554 -0.235 0.000 2.858 71 T HA 0.831 5.182 4.350 0.001 0.000 0.285 71 T C -0.750 173.889 174.700 -0.102 0.000 1.052 71 T CA -0.434 61.358 62.100 -0.513 0.000 1.009 71 T CB 1.695 70.099 68.868 -0.773 0.000 1.241 71 T HN 0.658 nan 8.240 nan 0.000 0.542 72 Y N -2.497 117.803 120.300 -0.000 0.000 2.779 72 Y HA 0.611 5.161 4.550 0.000 0.000 0.340 72 Y C -0.385 175.591 175.900 0.127 0.000 1.252 72 Y CA -1.771 56.374 58.100 0.075 0.000 1.072 72 Y CB 0.847 39.350 38.460 0.072 0.000 1.343 72 Y HN 0.846 nan 8.280 nan 0.000 0.450 73 R N 2.253 122.982 120.500 0.381 0.000 2.480 73 R HA 0.035 4.375 4.340 0.001 0.000 0.303 73 R C -0.362 176.134 176.300 0.327 0.000 0.985 73 R CA 1.136 57.395 56.100 0.266 0.000 1.051 73 R CB -0.302 30.119 30.300 0.201 0.000 0.935 73 R HN 0.924 nan 8.270 nan 0.000 0.410 74 N N 2.308 121.134 118.700 0.210 0.000 2.741 74 N HA -0.288 4.452 4.740 0.001 0.000 0.251 74 N C -0.366 175.250 175.510 0.177 0.000 1.112 74 N CA 1.241 54.405 53.050 0.189 0.000 0.750 74 N CB -1.606 37.005 38.487 0.208 0.000 1.119 74 N HN 0.549 nan 8.380 nan 0.000 0.561 75 F N 1.735 121.609 119.950 -0.127 0.000 2.629 75 F HA 0.204 4.731 4.527 0.001 0.000 0.369 75 F C 0.744 176.461 175.800 -0.138 0.000 1.125 75 F CA 0.230 57.978 58.000 -0.420 0.000 1.330 75 F CB 0.601 39.039 39.000 -0.936 0.000 1.071 75 F HN 0.019 nan 8.300 nan 0.000 0.595 76 S N 7.012 122.020 115.700 -1.153 0.000 2.557 76 S HA 0.471 4.941 4.470 0.001 0.000 0.291 76 S C -1.837 171.994 174.600 -1.282 0.000 1.116 76 S CA -1.473 56.175 58.200 -0.920 0.000 0.992 76 S CB 1.761 64.828 63.200 -0.222 0.000 1.028 76 S HN 0.529 nan 8.310 nan 0.000 0.484 77 P HA 0.021 nan 4.420 nan 0.000 0.230 77 P C 0.486 177.429 177.300 -0.595 0.000 1.158 77 P CA 0.762 63.441 63.100 -0.702 0.000 0.769 77 P CB -0.082 31.229 31.700 -0.649 0.000 0.807 78 W N -0.454 120.755 121.300 -0.151 0.000 2.863 78 W HA 0.204 4.865 4.660 0.001 0.000 0.258 78 W C 2.051 178.664 176.519 0.157 0.000 1.298 78 W CA -0.091 57.266 57.345 0.019 0.000 1.451 78 W CB -0.512 28.985 29.460 0.061 0.000 1.107 78 W HN -0.178 nan 8.180 nan 0.000 0.641 79 L N 0.078 121.388 121.223 0.145 0.000 2.529 79 L HA 0.107 4.447 4.340 0.001 0.000 0.223 79 L C 0.518 177.348 176.870 -0.066 0.000 1.113 79 L CA 0.141 54.966 54.840 -0.026 0.000 0.861 79 L CB -0.475 41.448 42.059 -0.228 0.000 1.012 79 L HN -0.228 nan 8.230 nan 0.000 0.461 80 Q N 0.793 120.606 119.800 0.022 0.000 2.337 80 Q HA 0.475 4.816 4.340 0.001 0.000 0.270 80 Q C 0.556 176.628 176.000 0.121 0.000 1.002 80 Q CA 1.078 56.900 55.803 0.032 0.000 0.888 80 Q CB 0.775 29.537 28.738 0.040 0.000 1.222 80 Q HN 0.291 nan 8.270 nan 0.000 0.400 84 R N 0.906 121.322 120.500 -0.140 0.000 2.096 84 R HA 0.003 4.343 4.340 0.001 0.000 0.235 84 R C 2.106 178.320 176.300 -0.143 0.000 1.127 84 R CA 1.431 57.466 56.100 -0.108 0.000 0.968 84 R CB -0.275 29.983 30.300 -0.069 0.000 0.861 84 R HN 0.168 nan 8.270 nan 0.000 0.440 85 V N 1.371 121.139 119.914 -0.243 0.000 2.488 85 V HA -0.148 3.973 4.120 0.001 0.000 0.246 85 V C 1.607 177.630 176.094 -0.118 0.000 1.046 85 V CA 1.530 63.693 62.300 -0.229 0.000 1.053 85 V CB -0.372 31.225 31.823 -0.376 0.000 0.679 85 V HN 0.140 nan 8.190 nan 0.000 0.458 86 D N 0.311 120.646 120.400 -0.108 0.000 2.123 86 D HA -0.185 4.455 4.640 0.001 0.000 0.196 86 D C 2.154 178.445 176.300 -0.015 0.000 0.992 86 D CA 1.324 55.302 54.000 -0.037 0.000 0.833 86 D CB -0.130 40.655 40.800 -0.025 0.000 0.954 86 D HN 0.548 nan 8.370 nan 0.000 0.455 87 E N 0.161 120.343 120.200 -0.031 0.000 2.058 87 E HA -0.239 4.112 4.350 0.001 0.000 0.194 87 E C 2.076 178.662 176.600 -0.022 0.000 0.997 87 E CA 1.016 57.407 56.400 -0.015 0.000 0.801 87 E CB -0.028 29.659 29.700 -0.022 0.000 0.746 87 E HN 0.097 nan 8.360 nan 0.000 0.450 88 Q N 0.867 120.637 119.800 -0.049 0.000 2.084 88 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 88 Q C 1.751 177.706 176.000 -0.074 0.000 0.978 88 Q CA 1.438 57.199 55.803 -0.070 0.000 0.844 88 Q CB -0.046 28.636 28.738 -0.093 0.000 0.898 88 Q HN 0.163 nan 8.270 nan 0.000 0.426 89 N N 0.247 118.926 118.700 -0.036 0.000 2.166 89 N HA -0.128 4.612 4.740 0.001 0.000 0.186 89 N C 1.252 176.774 175.510 0.020 0.000 1.019 89 N CA 1.047 54.097 53.050 0.000 0.000 0.856 89 N CB -0.398 38.138 38.487 0.081 0.000 0.993 89 N HN 0.354 nan 8.380 nan 0.000 0.426 90 N N 1.114 119.841 118.700 0.045 0.000 2.188 90 N HA -0.076 4.664 4.740 0.001 0.000 0.184 90 N C 1.404 176.918 175.510 0.006 0.000 1.018 90 N CA 0.835 53.946 53.050 0.102 0.000 0.858 90 N CB 0.049 38.626 38.487 0.151 0.000 0.989 90 N HN 0.385 nan 8.380 nan 0.000 0.426 91 K N 0.864 121.246 120.400 -0.029 0.000 2.057 91 K HA -0.054 4.266 4.320 0.001 0.000 0.207 91 K C 1.120 177.662 176.600 -0.097 0.000 1.049 91 K CA 0.790 57.035 56.287 -0.069 0.000 0.931 91 K CB 0.009 32.473 32.500 -0.061 0.000 0.714 91 K HN 0.181 nan 8.250 nan 0.000 0.440 95 R N 0.418 120.829 120.500 -0.148 0.000 2.075 95 R HA 0.095 4.436 4.340 0.001 0.000 0.232 95 R C 2.143 178.413 176.300 -0.050 0.000 1.126 95 R CA 1.525 57.574 56.100 -0.086 0.000 0.963 95 R CB -0.361 29.903 30.300 -0.060 0.000 0.858 95 R HN 0.330 nan 8.270 nan 0.000 0.435 96 F N 0.648 120.529 119.950 -0.116 0.000 2.091 96 F HA -0.148 4.379 4.527 0.001 0.000 0.299 96 F C 1.999 177.758 175.800 -0.069 0.000 1.103 96 F CA 2.115 60.074 58.000 -0.070 0.000 1.228 96 F CB -0.700 38.285 39.000 -0.026 0.000 0.984 96 F HN 0.129 nan 8.300 nan 0.000 0.477 97 G N -0.089 108.752 108.800 0.068 0.000 2.418 97 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 97 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 97 G C 1.721 176.556 174.900 -0.109 0.000 1.158 97 G CA 0.835 45.947 45.100 0.021 0.000 0.771 97 G HN 0.342 nan 8.290 nan 0.000 0.545 98 K N 0.212 120.540 120.400 -0.120 0.000 2.057 98 K HA -0.056 4.264 4.320 0.001 0.000 0.207 98 K C 2.410 178.909 176.600 -0.170 0.000 1.049 98 K CA 1.198 57.413 56.287 -0.120 0.000 0.931 98 K CB -0.048 32.392 32.500 -0.100 0.000 0.714 98 K HN 0.198 nan 8.250 nan 0.000 0.440 99 E N 0.572 120.634 120.200 -0.230 0.000 2.152 99 E HA -0.094 4.256 4.350 0.001 0.000 0.192 99 E C 2.036 178.415 176.600 -0.368 0.000 0.983 99 E CA 0.826 57.065 56.400 -0.269 0.000 0.818 99 E CB -0.143 29.398 29.700 -0.266 0.000 0.758 99 E HN 0.283 nan 8.360 nan 0.000 0.467 100 A N 1.334 123.845 122.820 -0.514 0.000 1.883 100 A HA -0.180 4.141 4.320 0.001 0.000 0.217 100 A C 2.521 179.870 177.584 -0.392 0.000 1.186 100 A CA 1.928 53.611 52.037 -0.590 0.000 0.624 100 A CB -0.567 18.013 19.000 -0.701 0.000 0.822 100 A HN 0.189 nan 8.150 nan 0.000 0.444 101 S N 0.012 115.557 115.700 -0.259 0.000 2.356 101 S HA 0.152 4.623 4.470 0.001 0.000 0.223 101 S C 1.487 175.994 174.600 -0.155 0.000 1.032 101 S CA 0.593 58.692 58.200 -0.168 0.000 1.005 101 S CB -0.675 62.465 63.200 -0.101 0.000 0.867 101 S HN 0.877 nan 8.310 nan 0.000 0.449 107 D N 0.039 120.492 120.400 0.089 0.000 2.723 107 D HA -0.135 4.505 4.640 0.001 0.000 0.236 107 D C -0.311 176.077 176.300 0.146 0.000 1.138 107 D CA 0.696 54.761 54.000 0.108 0.000 0.676 107 D CB -1.360 39.513 40.800 0.122 0.000 1.069 107 D HN 0.117 nan 8.370 nan 0.000 0.430 108 V N 1.004 120.996 119.914 0.130 0.000 2.529 108 V HA 0.107 4.228 4.120 0.001 0.000 0.292 108 V C 0.982 177.173 176.094 0.160 0.000 1.028 108 V CA 0.403 62.805 62.300 0.171 0.000 1.074 108 V CB 1.107 32.986 31.823 0.093 0.000 0.958 108 V HN 0.067 nan 8.190 nan 0.000 0.481 109 R N 4.033 124.650 120.500 0.195 0.000 2.502 109 R HA 0.310 4.651 4.340 0.001 0.000 0.300 109 R C -1.199 175.233 176.300 0.220 0.000 0.984 109 R CA -0.769 55.432 56.100 0.168 0.000 0.882 109 R CB 1.699 32.072 30.300 0.122 0.000 1.180 109 R HN 0.711 nan 8.270 nan 0.000 0.444 110 Y N 4.001 124.355 120.300 0.090 0.000 2.353 110 Y HA 0.468 5.018 4.550 0.001 0.000 0.340 110 Y C -0.386 175.549 175.900 0.059 0.000 0.972 110 Y CA -0.947 57.205 58.100 0.086 0.000 1.157 110 Y CB 0.747 39.257 38.460 0.084 0.000 1.157 110 Y HN 0.550 nan 8.280 nan 0.000 0.495 111 I N 8.187 128.605 120.570 -0.255 0.000 2.282 111 I HA 0.284 4.455 4.170 0.001 0.000 0.290 111 I C 0.112 175.890 176.117 -0.564 0.000 1.090 111 I CA -0.571 60.526 61.300 -0.339 0.000 1.231 111 I CB 0.402 38.332 38.000 -0.118 0.000 1.434 111 I HN 0.565 nan 8.210 nan 0.000 0.487 112 R N 6.206 126.197 120.500 -0.848 0.000 2.404 112 R HA 0.525 4.866 4.340 0.001 0.000 0.315 112 R C -0.643 175.533 176.300 -0.207 0.000 1.032 112 R CA 0.215 55.981 56.100 -0.556 0.000 0.992 112 R CB 0.396 30.470 30.300 -0.376 0.000 0.959 112 R HN 0.745 nan 8.270 nan 0.000 0.428 113 A N 3.871 126.635 122.820 -0.094 0.000 2.602 113 A HA 0.359 4.680 4.320 0.001 0.000 0.290 113 A C 0.108 177.693 177.584 0.002 0.000 1.114 113 A CA -0.905 51.108 52.037 -0.040 0.000 0.683 113 A CB 1.322 20.299 19.000 -0.039 0.000 1.281 113 A HN 0.704 nan 8.150 nan 0.000 0.416 114 R N -0.255 120.249 120.500 0.007 0.000 2.159 114 R HA -0.071 4.269 4.340 0.001 0.000 0.237 114 R C 0.350 176.666 176.300 0.027 0.000 1.131 114 R CA 1.373 57.484 56.100 0.019 0.000 0.982 114 R CB -0.531 29.781 30.300 0.019 0.000 0.868 114 R HN 0.641 nan 8.270 nan 0.000 0.453 115 I N 2.958 123.542 120.570 0.024 0.000 2.371 115 I HA 0.251 4.422 4.170 0.001 0.000 0.282 115 I C -2.376 173.762 176.117 0.035 0.000 1.031 115 I CA -2.574 58.746 61.300 0.033 0.000 1.180 115 I CB 1.783 39.798 38.000 0.026 0.000 1.336 115 I HN -0.153 nan 8.210 nan 0.000 0.467 116 P HA 0.184 nan 4.420 nan 0.000 0.275 116 P C -0.926 176.422 177.300 0.080 0.000 1.227 116 P CA -0.069 63.089 63.100 0.096 0.000 0.781 116 P CB 1.661 33.477 31.700 0.194 0.000 0.906 117 V N 1.061 121.024 119.914 0.081 0.000 2.876 117 V HA 0.634 4.755 4.120 0.001 0.000 0.312 117 V C -0.979 175.200 176.094 0.141 0.000 1.085 117 V CA -0.924 61.416 62.300 0.067 0.000 0.945 117 V CB 2.247 34.088 31.823 0.030 0.000 1.017 117 V HN 0.237 nan 8.190 nan 0.000 0.428 118 V N 4.670 124.660 119.914 0.125 0.000 2.409 118 V HA 0.528 4.649 4.120 0.001 0.000 0.291 118 V C -0.176 175.997 176.094 0.132 0.000 1.020 118 V CA -0.297 62.145 62.300 0.237 0.000 0.848 118 V CB 1.431 33.508 31.823 0.423 0.000 0.990 118 V HN 1.051 nan 8.190 nan 0.000 0.430 119 Q N 4.613 124.486 119.800 0.122 0.000 2.274 119 Q HA 0.827 5.167 4.340 0.001 0.000 0.260 119 Q C -1.138 174.909 176.000 0.078 0.000 0.974 119 Q CA -0.492 55.281 55.803 -0.050 0.000 0.876 119 Q CB 2.751 31.518 28.738 0.048 0.000 1.297 119 Q HN 0.753 nan 8.270 nan 0.000 0.446 120 F N -2.818 117.063 119.950 -0.115 0.000 2.741 120 F HA 0.501 5.028 4.527 0.001 0.000 0.311 120 F C -1.053 174.699 175.800 -0.080 0.000 1.149 120 F CA -1.125 56.848 58.000 -0.044 0.000 0.930 120 F CB 1.198 40.193 39.000 -0.007 0.000 1.312 120 F HN 0.169 nan 8.300 nan 0.000 0.450 121 T N 1.299 116.032 114.554 0.298 0.000 2.744 121 T HA 0.219 4.569 4.350 0.001 0.000 0.291 121 T C -0.908 173.985 174.700 0.321 0.000 0.957 121 T CA -0.125 62.115 62.100 0.234 0.000 1.002 121 T CB 0.695 69.671 68.868 0.180 0.000 0.919 121 T HN 0.733 nan 8.240 nan 0.000 0.468 122 D N 2.399 122.969 120.400 0.283 0.000 2.472 122 D HA 0.132 4.773 4.640 0.001 0.000 0.248 122 D C 1.548 177.919 176.300 0.119 0.000 1.174 122 D CA 0.196 54.346 54.000 0.250 0.000 0.883 122 D CB 0.579 41.489 40.800 0.184 0.000 1.149 122 D HN 0.586 nan 8.370 nan 0.000 0.488 123 G N 2.545 111.375 108.800 0.049 0.000 2.501 123 G HA2 -0.185 3.775 3.960 0.001 0.000 0.220 123 G HA3 -0.185 3.775 3.960 0.001 0.000 0.220 123 G C 1.245 176.154 174.900 0.015 0.000 1.114 123 G CA 0.857 45.963 45.100 0.011 0.000 0.757 123 G HN 0.460 nan 8.290 nan 0.000 0.559 124 V N 0.460 120.387 119.914 0.022 0.000 2.490 124 V HA -0.008 4.112 4.120 0.001 0.000 0.238 124 V C 2.967 179.084 176.094 0.037 0.000 1.056 124 V CA 2.099 64.410 62.300 0.018 0.000 1.075 124 V CB -0.151 31.674 31.823 0.003 0.000 0.746 124 V HN 0.525 nan 8.190 nan 0.000 0.479 125 T N -2.541 112.043 114.554 0.051 0.000 3.065 125 T HA 0.258 4.609 4.350 0.001 0.000 0.252 125 T C 1.649 176.417 174.700 0.114 0.000 1.099 125 T CA 1.051 63.194 62.100 0.071 0.000 1.063 125 T CB 0.607 69.504 68.868 0.048 0.000 0.948 125 T HN 0.982 nan 8.240 nan 0.000 0.506 126 G N 1.670 110.533 108.800 0.106 0.000 2.189 126 G HA2 -0.260 3.700 3.960 0.001 0.000 0.267 126 G HA3 -0.260 3.700 3.960 0.001 0.000 0.267 126 G C 0.143 175.131 174.900 0.147 0.000 0.975 126 G CA 0.289 45.461 45.100 0.120 0.000 0.644 126 G HN 0.683 nan 8.290 nan 0.000 0.537 127 I N 1.175 121.833 120.570 0.147 0.000 2.683 127 I HA 0.133 4.303 4.170 0.001 0.000 0.286 127 I C 1.066 177.249 176.117 0.110 0.000 1.175 127 I CA -0.421 60.968 61.300 0.147 0.000 1.429 127 I CB 0.451 38.506 38.000 0.092 0.000 1.371 127 I HN 0.307 nan 8.210 nan 0.000 0.569 128 H N 6.173 125.259 119.070 0.027 0.000 2.767 128 H HA 0.274 4.830 4.556 0.001 0.000 0.316 128 H C -0.981 174.261 175.328 -0.144 0.000 1.059 128 H CA -0.259 55.762 56.048 -0.045 0.000 1.461 128 H CB 0.529 30.274 29.762 -0.028 0.000 1.475 128 H HN 0.597 nan 8.280 nan 0.000 0.531 129 C N 4.763 123.558 119.300 -0.843 0.000 2.417 129 C HA 0.321 4.782 4.460 0.001 0.000 0.324 129 C C -0.284 174.137 174.990 -0.948 0.000 1.240 129 C CA -0.710 57.798 59.018 -0.849 0.000 1.632 129 C CB 0.819 27.914 27.740 -1.076 0.000 2.241 129 C HN 0.873 nan 8.230 nan 0.000 0.499 130 D N 1.246 121.315 120.400 -0.551 0.000 2.471 130 D HA 0.562 5.202 4.640 0.001 0.000 0.245 130 D C -0.979 175.165 176.300 -0.260 0.000 1.116 130 D CA 0.013 53.807 54.000 -0.344 0.000 0.853 130 D CB 1.329 42.020 40.800 -0.182 0.000 1.123 130 D HN 0.301 nan 8.370 nan 0.000 0.540 131 V N 3.003 122.799 119.914 -0.197 0.000 2.417 131 V HA 0.662 4.782 4.120 0.001 0.000 0.291 131 V C 0.011 176.026 176.094 -0.132 0.000 1.024 131 V CA -0.524 61.672 62.300 -0.173 0.000 0.861 131 V CB 1.340 33.019 31.823 -0.241 0.000 0.985 131 V HN 0.682 nan 8.190 nan 0.000 0.436 132 S N 4.638 120.288 115.700 -0.084 0.000 2.661 132 S HA 0.736 5.207 4.470 0.001 0.000 0.285 132 S C -0.784 173.777 174.600 -0.065 0.000 1.138 132 S CA -0.893 57.281 58.200 -0.044 0.000 0.855 132 S CB 1.781 64.993 63.200 0.019 0.000 1.136 132 S HN 0.432 nan 8.310 nan 0.000 0.484 133 I N 1.824 122.376 120.570 -0.030 0.000 2.352 133 I HA 0.446 4.617 4.170 0.001 0.000 0.290 133 I C 1.200 177.258 176.117 -0.097 0.000 1.036 133 I CA 0.344 61.617 61.300 -0.045 0.000 1.336 133 I CB 0.490 38.556 38.000 0.111 0.000 1.407 133 I HN 1.194 nan 8.210 nan 0.000 0.497 134 G N 4.896 113.488 108.800 -0.346 0.000 2.338 134 G HA2 -0.309 3.651 3.960 0.001 0.000 0.296 134 G HA3 -0.309 3.651 3.960 0.001 0.000 0.296 134 G C 0.317 175.123 174.900 -0.156 0.000 1.040 134 G CA -0.124 44.724 45.100 -0.420 0.000 1.004 134 G HN 0.764 nan 8.290 nan 0.000 0.509 135 N N 0.569 119.147 118.700 -0.203 0.000 3.050 135 N HA 0.131 4.872 4.740 0.001 0.000 0.289 135 N C 1.821 177.069 175.510 -0.436 0.000 1.209 135 N CA -0.601 52.271 53.050 -0.297 0.000 1.154 135 N CB -0.138 38.167 38.487 -0.303 0.000 1.444 135 N HN 0.294 nan 8.380 nan 0.000 0.529 136 I N 0.381 120.782 120.570 -0.281 0.000 2.226 136 I HA -0.148 4.023 4.170 0.001 0.000 0.245 136 I C 2.253 178.197 176.117 -0.289 0.000 1.100 136 I CA 0.934 62.087 61.300 -0.245 0.000 1.374 136 I CB -1.413 36.498 38.000 -0.148 0.000 1.057 136 I HN 0.387 nan 8.210 nan 0.000 0.413 137 G N 0.624 109.242 108.800 -0.304 0.000 2.418 137 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 137 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 137 G C 1.764 176.425 174.900 -0.398 0.000 1.158 137 G CA 0.824 45.743 45.100 -0.301 0.000 0.771 137 G HN 0.470 nan 8.290 nan 0.000 0.545 138 G N 0.493 108.931 108.800 -0.602 0.000 2.440 138 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 138 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 138 G C 1.788 176.301 174.900 -0.646 0.000 1.154 138 G CA 1.249 45.862 45.100 -0.812 0.000 0.767 138 G HN 0.318 nan 8.290 nan 0.000 0.552 139 V N 0.868 120.374 119.914 -0.679 0.000 2.295 139 V HA -0.150 3.971 4.120 0.001 0.000 0.246 139 V C 2.859 178.888 176.094 -0.107 0.000 1.049 139 V CA 2.114 64.259 62.300 -0.257 0.000 1.024 139 V CB -0.347 31.358 31.823 -0.196 0.000 0.648 139 V HN 0.315 nan 8.190 nan 0.000 0.447 140 E N 0.166 120.286 120.200 -0.132 0.000 2.072 140 E HA -0.191 4.159 4.350 0.001 0.000 0.191 140 E C 2.162 178.763 176.600 0.002 0.000 0.985 140 E CA 1.020 57.391 56.400 -0.050 0.000 0.801 140 E CB -0.776 28.893 29.700 -0.052 0.000 0.750 140 E HN 0.602 nan 8.360 nan 0.000 0.452 141 N N 1.075 119.741 118.700 -0.056 0.000 2.104 141 N HA -0.131 4.609 4.740 0.001 0.000 0.190 141 N C 1.725 177.331 175.510 0.160 0.000 1.024 141 N CA 1.449 54.513 53.050 0.024 0.000 0.853 141 N CB 0.043 38.355 38.487 -0.292 0.000 1.008 141 N HN -0.047 nan 8.380 nan 0.000 0.424 142 S N 0.762 116.527 115.700 0.109 0.000 2.382 142 S HA -0.036 4.434 4.470 0.001 0.000 0.228 142 S C 1.826 176.507 174.600 0.135 0.000 1.027 142 S CA 0.903 59.206 58.200 0.171 0.000 0.991 142 S CB -0.048 63.273 63.200 0.202 0.000 0.823 142 S HN 0.431 nan 8.310 nan 0.000 0.469 143 K N 0.825 121.282 120.400 0.095 0.000 2.097 143 K HA 0.023 4.343 4.320 0.001 0.000 0.206 143 K C 1.915 178.546 176.600 0.052 0.000 1.049 143 K CA 1.075 57.401 56.287 0.065 0.000 0.933 143 K CB -0.305 32.223 32.500 0.047 0.000 0.717 143 K HN 0.332 nan 8.250 nan 0.000 0.442 144 I N 1.143 121.753 120.570 0.068 0.000 2.179 144 I HA -0.295 3.876 4.170 0.001 0.000 0.242 144 I C 2.145 178.269 176.117 0.012 0.000 1.088 144 I CA 1.232 62.528 61.300 -0.007 0.000 1.357 144 I CB -0.259 37.721 38.000 -0.033 0.000 1.051 144 I HN 0.116 nan 8.210 nan 0.000 0.409 145 L N -0.217 121.099 121.223 0.155 0.000 2.079 145 L HA -0.299 4.041 4.340 0.001 0.000 0.210 145 L C 2.843 179.769 176.870 0.094 0.000 1.081 145 L CA 1.139 56.118 54.840 0.231 0.000 0.752 145 L CB -0.726 41.586 42.059 0.422 0.000 0.896 145 L HN 0.502 nan 8.230 nan 0.000 0.433 146 C N 0.193 119.509 119.300 0.027 0.000 2.432 146 C HA -0.170 4.291 4.460 0.001 0.000 0.277 146 C C 3.147 178.119 174.990 -0.032 0.000 1.249 146 C CA 0.890 59.879 59.018 -0.049 0.000 1.725 146 C CB -0.725 27.012 27.740 -0.004 0.000 2.028 146 C HN 0.580 nan 8.230 nan 0.000 0.477 147 A N 0.256 123.074 122.820 -0.002 0.000 1.908 147 A HA -0.103 4.218 4.320 0.001 0.000 0.218 147 A C 2.082 179.665 177.584 -0.003 0.000 1.181 147 A CA 2.009 54.050 52.037 0.008 0.000 0.627 147 A CB -0.713 18.291 19.000 0.007 0.000 0.818 147 A HN 0.683 nan 8.150 nan 0.000 0.445 148 I N -1.126 119.427 120.570 -0.030 0.000 2.163 148 I HA -0.276 3.894 4.170 0.001 0.000 0.243 148 I C 2.743 178.741 176.117 -0.197 0.000 1.085 148 I CA 1.847 63.075 61.300 -0.120 0.000 1.347 148 I CB -0.326 37.632 38.000 -0.070 0.000 1.044 148 I HN 0.372 nan 8.210 nan 0.000 0.408 149 R N 0.593 121.053 120.500 -0.066 0.000 2.096 149 R HA -0.186 4.154 4.340 0.001 0.000 0.235 149 R C 2.244 178.623 176.300 0.131 0.000 1.127 149 R CA 1.236 57.334 56.100 -0.003 0.000 0.968 149 R CB -0.032 30.047 30.300 -0.369 0.000 0.861 149 R HN 0.341 nan 8.270 nan 0.000 0.440 150 Q N 0.139 119.985 119.800 0.076 0.000 2.364 150 Q HA -0.083 4.257 4.340 0.001 0.000 0.207 150 Q C 2.054 178.185 176.000 0.219 0.000 0.970 150 Q CA 0.788 56.673 55.803 0.137 0.000 0.888 150 Q CB 0.047 28.834 28.738 0.082 0.000 0.951 150 Q HN 0.269 nan 8.270 nan 0.000 0.469 151 V N -0.255 119.805 119.914 0.244 0.000 2.392 151 V HA -0.158 3.963 4.120 0.001 0.000 0.249 151 V C 1.174 177.616 176.094 0.580 0.000 1.059 151 V CA 1.514 64.041 62.300 0.379 0.000 1.051 151 V CB -0.224 31.841 31.823 0.403 0.000 0.658 151 V HN 0.370 nan 8.190 nan 0.000 0.455 152 F N -0.829 119.433 119.950 0.520 0.000 3.596 152 F HA 0.278 4.805 4.527 0.001 0.000 0.407 152 F C -2.524 173.536 175.800 0.434 0.000 1.168 152 F CA -1.444 56.821 58.000 0.441 0.000 1.405 152 F CB 1.410 40.632 39.000 0.371 0.000 2.272 152 F HN 0.059 nan 8.300 nan 0.000 0.758 153 P HA -0.166 nan 4.420 nan 0.000 0.216 153 P C 0.921 178.432 177.300 0.352 0.000 1.153 153 P CA 1.534 64.888 63.100 0.423 0.000 0.858 153 P CB 0.295 32.182 31.700 0.311 0.000 0.789 154 D N -2.169 118.450 120.400 0.365 0.000 2.224 154 D HA -0.096 4.545 4.640 0.001 0.000 0.205 154 D C 1.620 177.778 176.300 -0.236 0.000 0.965 154 D CA 0.624 54.717 54.000 0.156 0.000 0.852 154 D CB -0.651 40.325 40.800 0.292 0.000 0.947 154 D HN 0.123 nan 8.370 nan 0.000 0.494 155 F N 0.838 120.348 119.950 -0.734 0.000 2.053 155 F HA -0.197 4.331 4.527 0.001 0.000 0.292 155 F C 1.968 177.521 175.800 -0.412 0.000 1.125 155 F CA 1.318 58.825 58.000 -0.822 0.000 1.193 155 F CB -0.800 37.407 39.000 -1.321 0.000 0.996 155 F HN -0.121 nan 8.300 nan 0.000 0.470 156 Y N 0.685 120.770 120.300 -0.358 0.000 2.181 156 Y HA -0.029 4.521 4.550 0.001 0.000 0.288 156 Y C 2.815 178.760 175.900 0.076 0.000 1.146 156 Y CA 1.300 59.288 58.100 -0.187 0.000 1.164 156 Y CB -1.397 37.167 38.460 0.174 0.000 0.982 156 Y HN 0.183 nan 8.280 nan 0.000 0.515 157 G N -0.224 108.744 108.800 0.280 0.000 2.459 157 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 157 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 157 G C 1.938 176.788 174.900 -0.083 0.000 1.183 157 G CA 1.229 46.516 45.100 0.312 0.000 0.776 157 G HN 0.482 nan 8.290 nan 0.000 0.552 158 A N -0.215 122.189 122.820 -0.693 0.000 1.898 158 A HA -0.000 4.320 4.320 0.001 0.000 0.216 158 A C 2.232 179.686 177.584 -0.217 0.000 1.181 158 A CA 1.760 53.295 52.037 -0.836 0.000 0.620 158 A CB -0.683 17.792 19.000 -0.874 0.000 0.819 158 A HN 0.505 nan 8.150 nan 0.000 0.442 159 Y N 0.675 120.751 120.300 -0.374 0.000 2.145 159 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 159 Y C 2.011 177.745 175.900 -0.276 0.000 1.145 159 Y CA 1.684 59.584 58.100 -0.333 0.000 1.148 159 Y CB -0.156 37.983 38.460 -0.535 0.000 0.981 159 Y HN 0.225 nan 8.280 nan 0.000 0.507 160 I N 0.251 120.633 120.570 -0.314 0.000 2.252 160 I HA -0.280 3.890 4.170 0.001 0.000 0.245 160 I C 2.423 178.400 176.117 -0.232 0.000 1.102 160 I CA 2.041 63.060 61.300 -0.467 0.000 1.385 160 I CB -1.686 35.892 38.000 -0.702 0.000 1.064 160 I HN 0.411 nan 8.210 nan 0.000 0.414 161 H N 1.447 120.475 119.070 -0.070 0.000 2.319 161 H HA -0.153 4.404 4.556 0.001 0.000 0.299 161 H C 2.183 177.549 175.328 0.063 0.000 1.092 161 H CA 1.907 58.001 56.048 0.077 0.000 1.302 161 H CB -0.238 29.684 29.762 0.267 0.000 1.373 161 H HN 0.231 nan 8.280 nan 0.000 0.497 162 L N -0.712 120.466 121.223 -0.076 0.000 2.109 162 L HA -0.107 4.234 4.340 0.001 0.000 0.207 162 L C 2.624 179.500 176.870 0.010 0.000 1.086 162 L CA 0.740 55.572 54.840 -0.013 0.000 0.760 162 L CB -0.305 41.841 42.059 0.146 0.000 0.910 162 L HN 0.197 nan 8.230 nan 0.000 0.437 163 V N 0.163 119.921 119.914 -0.260 0.000 2.332 163 V HA -0.316 3.804 4.120 0.001 0.000 0.248 163 V C 2.488 178.565 176.094 -0.028 0.000 1.055 163 V CA 1.878 63.997 62.300 -0.302 0.000 1.038 163 V CB -0.450 30.856 31.823 -0.861 0.000 0.651 163 V HN 0.415 nan 8.190 nan 0.000 0.450 164 K N -0.056 120.268 120.400 -0.127 0.000 2.097 164 K HA -0.039 4.282 4.320 0.001 0.000 0.205 164 K C 2.289 178.868 176.600 -0.034 0.000 1.050 164 K CA 1.313 57.554 56.287 -0.077 0.000 0.938 164 K CB -0.410 32.036 32.500 -0.091 0.000 0.718 164 K HN 0.467 nan 8.250 nan 0.000 0.442 165 A N 0.697 123.484 122.820 -0.056 0.000 1.902 165 A HA -0.196 4.125 4.320 0.001 0.000 0.217 165 A C 1.953 179.670 177.584 0.222 0.000 1.181 165 A CA 1.390 53.447 52.037 0.034 0.000 0.623 165 A CB -0.865 18.058 19.000 -0.128 0.000 0.818 165 A HN 0.629 nan 8.150 nan 0.000 0.443 166 W N 0.704 122.067 121.300 0.105 0.000 2.379 166 W HA -0.013 4.648 4.660 0.001 0.000 0.307 166 W C 2.130 178.559 176.519 -0.152 0.000 1.200 166 W CA 1.951 59.203 57.345 -0.155 0.000 1.297 166 W CB -0.670 28.554 29.460 -0.393 0.000 1.140 166 W HN 0.217 nan 8.180 nan 0.000 0.507 167 G N 0.677 109.292 108.800 -0.308 0.000 2.418 167 G HA2 -0.284 3.676 3.960 0.001 0.000 0.217 167 G HA3 -0.284 3.676 3.960 0.001 0.000 0.217 167 G C 1.502 176.124 174.900 -0.462 0.000 1.158 167 G CA 1.246 45.936 45.100 -0.684 0.000 0.771 167 G HN 0.330 nan 8.290 nan 0.000 0.545 168 K N 0.515 120.774 120.400 -0.235 0.000 2.057 168 K HA 0.131 4.451 4.320 0.001 0.000 0.206 168 K C 2.971 179.472 176.600 -0.166 0.000 1.050 168 K CA 0.876 57.071 56.287 -0.154 0.000 0.935 168 K CB -0.230 32.230 32.500 -0.066 0.000 0.715 168 K HN 0.241 nan 8.250 nan 0.000 0.439 169 A N 1.553 124.278 122.820 -0.158 0.000 1.908 169 A HA -0.156 4.165 4.320 0.001 0.000 0.218 169 A C 1.772 179.233 177.584 -0.205 0.000 1.181 169 A CA 1.450 53.411 52.037 -0.127 0.000 0.627 169 A CB -0.194 18.775 19.000 -0.053 0.000 0.818 169 A HN 0.104 nan 8.150 nan 0.000 0.445 170 R N -0.668 119.596 120.500 -0.393 0.000 2.359 170 R HA 0.176 4.517 4.340 0.001 0.000 0.231 170 R C -0.258 175.912 176.300 -0.216 0.000 0.913 170 R CA 0.435 56.304 56.100 -0.384 0.000 1.075 170 R CB -0.630 29.236 30.300 -0.724 0.000 1.087 170 R HN 0.727 nan 8.270 nan 0.000 0.515 171 E N -0.622 119.453 120.200 -0.209 0.000 2.971 171 E HA -0.176 4.174 4.350 0.001 0.000 0.278 171 E C 0.653 177.200 176.600 -0.088 0.000 1.009 171 E CA 0.535 56.855 56.400 -0.132 0.000 0.862 171 E CB -1.647 27.959 29.700 -0.157 0.000 1.436 171 E HN 0.034 nan 8.360 nan 0.000 0.434 172 V N -0.096 119.673 119.914 -0.242 0.000 2.488 172 V HA -0.065 4.055 4.120 0.001 0.000 0.246 172 V C 1.209 177.248 176.094 -0.091 0.000 1.046 172 V CA 1.412 63.575 62.300 -0.229 0.000 1.053 172 V CB 0.004 31.500 31.823 -0.545 0.000 0.679 172 V HN 0.233 nan 8.190 nan 0.000 0.458 173 I N 1.271 121.763 120.570 -0.130 0.000 2.307 173 I HA 0.563 4.733 4.170 0.001 0.000 0.287 173 I C -0.028 176.043 176.117 -0.076 0.000 1.054 173 I CA 0.022 61.295 61.300 -0.046 0.000 1.218 173 I CB 0.871 38.841 38.000 -0.050 0.000 1.398 173 I HN 0.139 nan 8.210 nan 0.000 0.475 174 A N 7.287 130.066 122.820 -0.068 0.000 3.200 174 A HA 0.443 4.764 4.320 0.001 0.000 0.274 174 A C -2.255 175.284 177.584 -0.074 0.000 1.220 174 A CA -0.687 51.300 52.037 -0.083 0.000 0.904 174 A CB 0.130 19.060 19.000 -0.117 0.000 1.415 174 A HN 0.395 nan 8.150 nan 0.000 0.630 175 P HA -0.214 nan 4.420 nan 0.000 0.220 175 P C 1.484 178.754 177.300 -0.050 0.000 1.144 175 P CA 1.677 64.755 63.100 -0.036 0.000 0.800 175 P CB 0.284 31.979 31.700 -0.009 0.000 0.772 176 E N 0.286 120.451 120.200 -0.058 0.000 2.208 176 E HA -0.147 4.204 4.350 0.001 0.000 0.193 176 E C 1.282 177.839 176.600 -0.073 0.000 0.988 176 E CA 0.937 57.300 56.400 -0.060 0.000 0.828 176 E CB -0.565 29.098 29.700 -0.061 0.000 0.763 176 E HN 0.220 nan 8.360 nan 0.000 0.478 177 R N 1.617 122.061 120.500 -0.093 0.000 2.363 177 R HA 0.077 4.418 4.340 0.001 0.000 0.236 177 R C 0.368 176.599 176.300 -0.115 0.000 0.966 177 R CA 0.681 56.712 56.100 -0.114 0.000 1.100 177 R CB -0.378 29.828 30.300 -0.156 0.000 1.125 177 R HN 0.313 nan 8.270 nan 0.000 0.514 178 S N -0.244 115.399 115.700 -0.094 0.000 3.410 178 S HA -0.214 4.256 4.470 0.001 0.000 0.369 178 S C 0.598 175.110 174.600 -0.147 0.000 0.961 178 S CA 1.013 59.157 58.200 -0.094 0.000 1.248 178 S CB -2.137 61.021 63.200 -0.070 0.000 0.914 178 S HN 0.596 nan 8.310 nan 0.000 0.497 179 T N -2.173 112.277 114.554 -0.174 0.000 2.906 179 T HA 0.776 5.126 4.350 0.001 0.000 0.283 179 T C 0.343 174.899 174.700 -0.241 0.000 1.098 179 T CA -1.044 60.874 62.100 -0.303 0.000 0.960 179 T CB 0.008 68.713 68.868 -0.271 0.000 1.776 179 T HN 0.139 nan 8.240 nan 0.000 0.594 180 F N 2.714 122.593 119.950 -0.119 0.000 2.444 180 F HA 0.383 4.911 4.527 0.001 0.000 0.331 180 F C 1.199 176.956 175.800 -0.073 0.000 1.167 180 F CA -0.852 57.081 58.000 -0.111 0.000 1.262 180 F CB 0.050 38.961 39.000 -0.149 0.000 1.196 180 F HN 0.733 nan 8.300 nan 0.000 0.583 181 N N -1.213 117.605 118.700 0.196 0.000 2.458 181 N HA 0.235 4.975 4.740 0.001 0.000 0.271 181 N C 0.253 175.810 175.510 0.079 0.000 1.210 181 N CA -0.485 52.633 53.050 0.113 0.000 0.978 181 N CB 0.559 39.114 38.487 0.113 0.000 1.206 181 N HN 0.378 nan 8.380 nan 0.000 0.536 182 S N -0.875 114.863 115.700 0.062 0.000 2.383 182 S HA -0.091 4.379 4.470 0.001 0.000 0.227 182 S C 1.163 175.771 174.600 0.014 0.000 1.026 182 S CA 0.624 58.838 58.200 0.023 0.000 0.981 182 S CB -0.721 62.502 63.200 0.038 0.000 0.818 182 S HN 0.566 nan 8.310 nan 0.000 0.472 183 F N 2.631 122.569 119.950 -0.020 0.000 2.186 183 F HA -0.115 4.412 4.527 0.001 0.000 0.299 183 F C 2.293 178.060 175.800 -0.055 0.000 1.090 183 F CA 1.471 59.460 58.000 -0.018 0.000 1.307 183 F CB -0.932 38.068 39.000 -0.001 0.000 1.019 183 F HN 0.075 nan 8.300 nan 0.000 0.489 184 T N 0.186 114.635 114.554 -0.175 0.000 2.737 184 T HA -0.138 4.213 4.350 0.001 0.000 0.265 184 T C 2.150 176.569 174.700 -0.469 0.000 1.038 184 T CA 1.736 63.650 62.100 -0.311 0.000 1.144 184 T CB -0.615 68.180 68.868 -0.121 0.000 0.866 184 T HN 0.140 nan 8.240 nan 0.000 0.434 185 V N 1.565 121.242 119.914 -0.395 0.000 2.515 185 V HA -0.149 3.971 4.120 0.001 0.000 0.250 185 V C 2.751 178.666 176.094 -0.299 0.000 1.058 185 V CA 1.748 63.840 62.300 -0.347 0.000 1.064 185 V CB -1.169 30.544 31.823 -0.184 0.000 0.675 185 V HN 0.522 nan 8.190 nan 0.000 0.461 186 T N -0.150 114.201 114.554 -0.338 0.000 2.684 186 T HA -0.135 4.215 4.350 0.001 0.000 0.267 186 T C 1.150 175.641 174.700 -0.347 0.000 1.036 186 T CA 1.599 63.475 62.100 -0.373 0.000 1.148 186 T CB -0.273 68.386 68.868 -0.348 0.000 0.863 186 T HN 0.543 nan 8.240 nan 0.000 0.436 193 L N 0.479 121.653 121.223 -0.082 0.000 2.046 193 L HA -0.215 4.125 4.340 0.001 0.000 0.208 193 L C 2.516 179.363 176.870 -0.038 0.000 1.077 193 L CA 2.260 57.065 54.840 -0.058 0.000 0.747 193 L CB -0.532 41.511 42.059 -0.026 0.000 0.896 193 L HN 0.482 nan 8.230 nan 0.000 0.432 194 Q N -0.260 119.494 119.800 -0.077 0.000 2.096 194 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 194 Q C 2.130 178.092 176.000 -0.064 0.000 0.982 194 Q CA 1.318 57.060 55.803 -0.101 0.000 0.850 194 Q CB -0.092 28.570 28.738 -0.127 0.000 0.901 194 Q HN 0.453 nan 8.270 nan 0.000 0.422 195 E N 0.545 120.702 120.200 -0.071 0.000 2.204 195 E HA -0.117 4.234 4.350 0.001 0.000 0.194 195 E C 1.858 178.472 176.600 0.023 0.000 0.989 195 E CA 0.749 57.138 56.400 -0.018 0.000 0.824 195 E CB 0.047 29.739 29.700 -0.012 0.000 0.756 195 E HN 0.422 nan 8.360 nan 0.000 0.477 196 L N -0.391 120.847 121.223 0.025 0.000 2.554 196 L HA 0.069 4.410 4.340 0.001 0.000 0.226 196 L C 1.418 178.335 176.870 0.079 0.000 1.137 196 L CA 0.508 55.396 54.840 0.080 0.000 0.863 196 L CB -0.153 41.975 42.059 0.116 0.000 0.985 196 L HN 0.208 nan 8.230 nan 0.000 0.451 197 G N 0.195 109.030 108.800 0.059 0.000 2.143 197 G HA2 -0.283 3.677 3.960 0.001 0.000 0.249 197 G HA3 -0.283 3.677 3.960 0.001 0.000 0.249 197 G C 0.607 175.610 174.900 0.171 0.000 0.981 197 G CA 0.178 45.333 45.100 0.091 0.000 0.665 197 G HN 0.334 nan 8.290 nan 0.000 0.528 198 L N -1.013 120.296 121.223 0.142 0.000 2.628 198 L HA 0.619 4.960 4.340 0.001 0.000 0.229 198 L C 0.447 177.475 176.870 0.264 0.000 1.137 198 L CA 0.012 54.976 54.840 0.207 0.000 0.909 198 L CB 0.435 42.571 42.059 0.127 0.000 1.137 198 L HN 0.263 nan 8.230 nan 0.000 0.470 199 L N 0.064 121.249 121.223 -0.063 0.000 2.591 199 L HA 0.540 4.880 4.340 0.001 0.000 0.257 199 L C -2.720 173.712 176.870 -0.731 0.000 0.935 199 L CA -1.267 53.232 54.840 -0.569 0.000 0.873 199 L CB 2.242 44.158 42.059 -0.238 0.000 1.397 199 L HN -0.281 nan 8.230 nan 0.000 0.414 200 P HA 0.210 nan 4.420 nan 0.000 0.274 200 P C -0.929 175.888 177.300 -0.804 0.000 1.237 200 P CA -0.173 62.475 63.100 -0.754 0.000 0.793 200 P CB 1.077 32.356 31.700 -0.701 0.000 0.977 201 V N 2.774 122.375 119.914 -0.522 0.000 2.461 201 V HA 0.096 4.216 4.120 0.001 0.000 0.275 201 V C 0.511 176.337 176.094 -0.447 0.000 1.047 201 V CA -0.026 62.020 62.300 -0.423 0.000 0.955 201 V CB -0.529 31.169 31.823 -0.208 0.000 0.988 201 V HN 0.327 nan 8.190 nan 0.000 0.471 202 F N 3.334 123.231 119.950 -0.088 0.000 2.669 202 F HA 0.143 4.671 4.527 0.001 0.000 0.353 202 F C 1.827 177.626 175.800 -0.001 0.000 1.192 202 F CA -0.164 57.797 58.000 -0.064 0.000 1.317 202 F CB -0.161 38.771 39.000 -0.113 0.000 1.652 202 F HN 0.618 nan 8.300 nan 0.000 0.608 203 S N -0.907 114.843 115.700 0.082 0.000 2.562 203 S HA -0.019 4.451 4.470 0.001 0.000 0.221 203 S C 0.981 175.653 174.600 0.119 0.000 0.975 203 S CA -0.031 58.220 58.200 0.085 0.000 0.918 203 S CB -0.156 63.047 63.200 0.005 0.000 0.772 203 S HN 0.403 nan 8.310 nan 0.000 0.531 204 K N 3.026 123.502 120.400 0.127 0.000 2.877 204 K HA 0.368 4.688 4.320 0.001 0.000 0.176 204 K C -2.954 173.727 176.600 0.134 0.000 1.075 204 K CA -2.196 54.162 56.287 0.118 0.000 0.939 204 K CB 0.899 33.453 32.500 0.089 0.000 1.237 204 K HN 0.176 nan 8.250 nan 0.000 0.607 205 P HA 0.034 nan 4.420 nan 0.000 0.271 205 P C -0.029 177.354 177.300 0.138 0.000 1.216 205 P CA -0.014 63.180 63.100 0.158 0.000 0.771 205 P CB 1.447 33.271 31.700 0.207 0.000 0.864 206 T N -1.273 113.350 114.554 0.115 0.000 3.145 206 T HA 0.300 4.651 4.350 0.001 0.000 0.281 206 T C 0.876 175.631 174.700 0.091 0.000 1.003 206 T CA -0.342 61.814 62.100 0.093 0.000 0.901 206 T CB -0.407 68.505 68.868 0.073 0.000 1.112 206 T HN 0.414 nan 8.240 nan 0.000 0.535 207 G N 0.935 109.809 108.800 0.123 0.000 2.554 207 G HA2 0.224 4.185 3.960 0.001 0.000 0.238 207 G HA3 0.224 4.185 3.960 0.001 0.000 0.238 207 G C 0.636 175.598 174.900 0.103 0.000 1.259 207 G CA -0.256 44.928 45.100 0.139 0.000 0.843 207 G HN 0.446 nan 8.290 nan 0.000 0.582 208 E N 0.406 120.631 120.200 0.042 0.000 2.171 208 E HA -0.177 4.173 4.350 0.001 0.000 0.197 208 E C 0.822 177.144 176.600 -0.463 0.000 0.997 208 E CA 1.234 57.487 56.400 -0.245 0.000 0.810 208 E CB -0.120 29.362 29.700 -0.362 0.000 0.738 208 E HN 0.511 nan 8.360 nan 0.000 0.467 209 F N -1.141 118.937 119.950 0.213 0.000 2.684 209 F HA 0.374 4.901 4.527 0.001 0.000 0.298 209 F C 1.272 177.306 175.800 0.389 0.000 1.120 209 F CA 0.282 58.446 58.000 0.273 0.000 1.332 209 F CB 1.259 40.438 39.000 0.299 0.000 0.986 209 F HN 0.145 nan 8.300 nan 0.000 0.524 210 G N 0.078 109.095 108.800 0.362 0.000 2.176 210 G HA2 -0.262 3.699 3.960 0.001 0.000 0.253 210 G HA3 -0.262 3.699 3.960 0.001 0.000 0.253 210 G C 0.338 175.500 174.900 0.437 0.000 0.979 210 G CA 0.296 45.609 45.100 0.354 0.000 0.641 210 G HN 0.394 nan 8.290 nan 0.000 0.530 211 E N 0.798 121.231 120.200 0.389 0.000 2.345 211 E HA 0.536 4.887 4.350 0.001 0.000 0.259 211 E C 0.083 176.761 176.600 0.129 0.000 1.117 211 E CA -0.967 55.536 56.400 0.171 0.000 0.913 211 E CB 1.293 31.035 29.700 0.069 0.000 1.057 211 E HN 0.434 nan 8.360 nan 0.000 0.432 212 L N 2.071 123.330 121.223 0.061 0.000 2.410 212 L HA 0.174 4.514 4.340 0.001 0.000 0.273 212 L C 0.202 177.111 176.870 0.065 0.000 1.152 212 L CA 0.387 55.273 54.840 0.076 0.000 0.855 212 L CB 0.842 42.932 42.059 0.051 0.000 1.129 212 L HN 0.780 nan 8.230 nan 0.000 0.463 213 T N 1.057 115.641 114.554 0.051 0.000 2.944 213 T HA 0.390 4.741 4.350 0.001 0.000 0.284 213 T C 1.278 175.983 174.700 0.008 0.000 1.010 213 T CA -0.551 61.574 62.100 0.043 0.000 1.025 213 T CB 1.224 70.126 68.868 0.056 0.000 1.079 213 T HN 0.295 nan 8.240 nan 0.000 0.516 214 V N 1.614 121.537 119.914 0.014 0.000 2.282 214 V HA -0.163 3.958 4.120 0.001 0.000 0.249 214 V C 3.126 179.224 176.094 0.008 0.000 1.057 214 V CA 2.514 64.815 62.300 0.001 0.000 1.032 214 V CB -1.608 30.225 31.823 0.017 0.000 0.645 214 V HN 1.079 nan 8.190 nan 0.000 0.447 215 A N -0.274 122.562 122.820 0.026 0.000 1.933 215 A HA -0.248 4.072 4.320 0.001 0.000 0.218 215 A C 1.989 179.601 177.584 0.046 0.000 1.175 215 A CA 1.928 53.987 52.037 0.037 0.000 0.628 215 A CB -0.624 18.400 19.000 0.041 0.000 0.814 215 A HN 0.551 nan 8.150 nan 0.000 0.444 216 D N 0.307 120.734 120.400 0.046 0.000 2.106 216 D HA -0.140 4.501 4.640 0.001 0.000 0.191 216 D C 2.262 178.622 176.300 0.100 0.000 0.997 216 D CA 1.804 55.847 54.000 0.072 0.000 0.834 216 D CB -0.532 40.310 40.800 0.071 0.000 0.956 216 D HN 0.433 nan 8.370 nan 0.000 0.448 217 A N 1.172 124.002 122.820 0.017 0.000 1.855 217 A HA -0.137 4.183 4.320 0.001 0.000 0.215 217 A C 1.326 178.978 177.584 0.114 0.000 1.191 217 A CA 0.936 52.978 52.037 0.007 0.000 0.613 217 A CB -0.501 18.316 19.000 -0.306 0.000 0.829 217 A HN 0.207 nan 8.150 nan 0.000 0.442 221 L N 0.764 122.070 121.223 0.138 0.000 2.131 221 L HA -0.141 4.199 4.340 0.001 0.000 0.210 221 L C 2.398 179.375 176.870 0.178 0.000 1.092 221 L CA 1.954 56.885 54.840 0.151 0.000 0.759 221 L CB -0.354 41.785 42.059 0.133 0.000 0.903 221 L HN 0.546 nan 8.230 nan 0.000 0.435 222 Q N 0.053 119.930 119.800 0.129 0.000 2.170 222 Q HA -0.216 4.124 4.340 0.001 0.000 0.203 222 Q C 1.674 177.732 176.000 0.097 0.000 0.976 222 Q CA 1.301 57.166 55.803 0.103 0.000 0.858 222 Q CB 0.214 28.997 28.738 0.076 0.000 0.907 222 Q HN 0.394 nan 8.270 nan 0.000 0.433 223 E N -0.261 120.003 120.200 0.108 0.000 2.442 223 E HA 0.013 4.363 4.350 0.001 0.000 0.195 223 E C -0.303 176.361 176.600 0.106 0.000 1.030 223 E CA -0.070 56.380 56.400 0.084 0.000 0.869 223 E CB 0.026 29.768 29.700 0.070 0.000 0.857 223 E HN 0.229 nan 8.360 nan 0.000 0.505 224 F N 2.425 122.375 119.950 -0.000 0.000 2.443 224 F HA 0.157 4.684 4.527 0.000 0.000 0.353 224 F C 0.159 175.963 175.800 0.007 0.000 1.101 224 F CA -0.248 57.746 58.000 -0.010 0.000 1.226 224 F CB 0.515 39.505 39.000 -0.017 0.000 1.140 224 F HN -0.408 nan 8.300 nan 0.000 0.557 225 K N 7.519 127.337 120.400 -0.970 0.000 2.426 225 K HA 0.382 4.703 4.320 0.001 0.000 0.254 225 K C -0.719 175.251 176.600 -1.050 0.000 0.936 225 K CA -0.651 55.199 56.287 -0.729 0.000 0.801 225 K CB 2.087 34.370 32.500 -0.362 0.000 1.139 225 K HN 0.676 nan 8.250 nan 0.000 0.424 226 L N 3.329 124.173 121.223 -0.632 0.000 2.472 226 L HA 0.209 4.549 4.340 0.001 0.000 0.260 226 L C -1.745 174.951 176.870 -0.289 0.000 1.209 226 L CA -1.598 52.957 54.840 -0.476 0.000 0.817 226 L CB 0.036 41.825 42.059 -0.451 0.000 1.106 226 L HN 0.304 nan 8.230 nan 0.000 0.479 227 P HA 0.022 nan 4.420 nan 0.000 0.268 227 P C -2.136 175.203 177.300 0.065 0.000 1.208 227 P CA -0.889 62.196 63.100 -0.026 0.000 0.777 227 P CB -0.062 31.673 31.700 0.058 0.000 0.875 228 P HA -0.148 nan 4.420 nan 0.000 0.219 228 P C 1.415 178.746 177.300 0.052 0.000 1.146 228 P CA 0.651 63.765 63.100 0.024 0.000 0.808 228 P CB -0.246 31.449 31.700 -0.007 0.000 0.779 229 I N -1.490 119.106 120.570 0.044 0.000 2.315 229 I HA -0.267 3.904 4.170 0.001 0.000 0.251 229 I C 1.862 177.947 176.117 -0.053 0.000 1.125 229 I CA 1.494 62.776 61.300 -0.029 0.000 1.392 229 I CB -0.809 37.130 38.000 -0.103 0.000 1.065 229 I HN -0.086 nan 8.210 nan 0.000 0.424 230 Y N 0.701 120.976 120.300 -0.041 0.000 2.315 230 Y HA -0.269 4.282 4.550 0.001 0.000 0.288 230 Y C 2.172 178.134 175.900 0.104 0.000 1.154 230 Y CA 1.486 59.600 58.100 0.023 0.000 1.229 230 Y CB -0.581 37.886 38.460 0.013 0.000 0.980 230 Y HN 0.247 nan 8.280 nan 0.000 0.540 231 D N -0.949 119.566 120.400 0.191 0.000 2.263 231 D HA -0.140 4.501 4.640 0.001 0.000 0.208 231 D C 1.984 178.382 176.300 0.164 0.000 0.971 231 D CA 1.514 55.602 54.000 0.147 0.000 0.867 231 D CB -0.341 40.477 40.800 0.030 0.000 0.929 231 D HN 0.367 nan 8.370 nan 0.000 0.492 232 S N -0.644 115.118 115.700 0.103 0.000 2.577 232 S HA 0.057 4.528 4.470 0.001 0.000 0.219 232 S C 1.153 175.798 174.600 0.075 0.000 0.962 232 S CA -0.247 57.992 58.200 0.065 0.000 0.921 232 S CB 0.152 63.355 63.200 0.005 0.000 0.789 232 S HN -0.030 nan 8.310 nan 0.000 0.497 233 L N 1.347 122.638 121.223 0.114 0.000 2.728 233 L HA 0.409 4.750 4.340 0.001 0.000 0.238 233 L C 1.580 178.553 176.870 0.172 0.000 1.143 233 L CA 0.366 55.253 54.840 0.080 0.000 0.937 233 L CB -0.800 41.251 42.059 -0.013 0.000 1.225 233 L HN 0.454 nan 8.230 nan 0.000 0.507 234 H N -0.967 118.201 119.070 0.164 0.000 2.525 234 H HA 0.159 4.715 4.556 0.001 0.000 0.275 234 H C 0.125 175.534 175.328 0.136 0.000 0.984 234 H CA 0.783 56.932 56.048 0.169 0.000 1.264 234 H CB 1.019 30.762 29.762 -0.033 0.000 1.432 234 H HN 0.299 nan 8.280 nan 0.000 0.549 235 D N 0.418 120.934 120.400 0.193 0.000 2.571 235 D HA 0.079 4.719 4.640 0.001 0.000 0.239 235 D C -0.331 176.023 176.300 0.090 0.000 1.267 235 D CA 0.207 54.282 54.000 0.125 0.000 0.823 235 D CB 1.036 41.889 40.800 0.089 0.000 1.056 235 D HN 0.178 nan 8.370 nan 0.000 0.494 236 D N 0.773 121.227 120.400 0.090 0.000 2.365 236 D HA 0.068 4.708 4.640 0.001 0.000 0.235 236 D C 0.088 176.420 176.300 0.054 0.000 1.368 236 D CA -0.289 53.746 54.000 0.058 0.000 1.001 236 D CB 1.407 42.231 40.800 0.039 0.000 1.364 236 D HN -0.354 nan 8.370 nan 0.000 0.577 237 D N 1.931 122.363 120.400 0.054 0.000 2.312 237 D HA -0.055 4.585 4.640 0.001 0.000 0.211 237 D C 1.503 177.823 176.300 0.033 0.000 0.964 237 D CA 0.651 54.683 54.000 0.053 0.000 0.877 237 D CB 0.545 41.381 40.800 0.060 0.000 0.924 237 D HN 0.586 nan 8.370 nan 0.000 0.515 238 E N 0.513 120.726 120.200 0.022 0.000 2.047 238 E HA -0.139 4.211 4.350 0.001 0.000 0.191 238 E C 1.901 178.506 176.600 0.007 0.000 0.987 238 E CA 0.856 57.262 56.400 0.011 0.000 0.799 238 E CB 0.113 29.815 29.700 0.005 0.000 0.752 238 E HN 0.253 nan 8.360 nan 0.000 0.449 239 K N 0.526 120.926 120.400 0.000 0.000 2.025 239 K HA -0.133 4.187 4.320 0.001 0.000 0.207 239 K C 2.246 178.822 176.600 -0.040 0.000 1.049 239 K CA 0.737 57.010 56.287 -0.024 0.000 0.933 239 K CB -0.230 32.254 32.500 -0.027 0.000 0.714 239 K HN -0.000 nan 8.250 nan 0.000 0.438 240 L N 1.218 122.429 121.223 -0.021 0.000 2.042 240 L HA -0.086 4.255 4.340 0.001 0.000 0.210 240 L C 2.150 179.030 176.870 0.018 0.000 1.076 240 L CA 2.049 56.869 54.840 -0.033 0.000 0.749 240 L CB -1.057 41.000 42.059 -0.003 0.000 0.893 240 L HN 0.240 nan 8.230 nan 0.000 0.432 241 G N -1.382 107.446 108.800 0.046 0.000 2.432 241 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 241 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 241 G C 1.433 176.428 174.900 0.158 0.000 1.135 241 G CA 0.765 45.924 45.100 0.097 0.000 0.767 241 G HN 0.546 nan 8.290 nan 0.000 0.550 242 E N 0.460 120.722 120.200 0.103 0.000 2.077 242 E HA -0.067 4.283 4.350 0.001 0.000 0.193 242 E C 2.929 179.653 176.600 0.206 0.000 0.989 242 E CA 0.790 57.277 56.400 0.146 0.000 0.800 242 E CB -0.162 29.571 29.700 0.054 0.000 0.746 242 E HN 0.430 nan 8.360 nan 0.000 0.452 243 A N 0.909 123.782 122.820 0.089 0.000 1.898 243 A HA -0.129 4.191 4.320 0.001 0.000 0.216 243 A C 2.501 180.280 177.584 0.325 0.000 1.181 243 A CA 1.096 53.193 52.037 0.100 0.000 0.620 243 A CB -0.604 18.274 19.000 -0.203 0.000 0.819 243 A HN 0.111 nan 8.150 nan 0.000 0.442 244 V N -1.164 118.937 119.914 0.311 0.000 2.343 244 V HA -0.241 3.879 4.120 0.001 0.000 0.247 244 V C 2.277 178.574 176.094 0.338 0.000 1.051 244 V CA 2.094 64.575 62.300 0.301 0.000 1.036 244 V CB -0.983 30.946 31.823 0.176 0.000 0.654 244 V HN 0.627 nan 8.190 nan 0.000 0.451 245 F N 0.445 120.535 119.950 0.233 0.000 2.102 245 F HA -0.218 4.309 4.527 0.001 0.000 0.298 245 F C 2.133 178.076 175.800 0.240 0.000 1.105 245 F CA 1.808 59.959 58.000 0.253 0.000 1.239 245 F CB -0.487 38.667 39.000 0.256 0.000 0.991 245 F HN 0.188 nan 8.300 nan 0.000 0.474 246 F N 0.542 120.593 119.950 0.168 0.000 2.091 246 F HA -0.289 4.239 4.527 0.001 0.000 0.299 246 F C 2.368 178.171 175.800 0.005 0.000 1.103 246 F CA 1.976 60.007 58.000 0.050 0.000 1.228 246 F CB -1.064 37.999 39.000 0.106 0.000 0.984 246 F HN 0.073 nan 8.300 nan 0.000 0.477 247 C N 0.536 119.943 119.300 0.179 0.000 2.425 247 C HA -0.123 4.337 4.460 0.001 0.000 0.277 247 C C 2.808 177.866 174.990 0.113 0.000 1.280 247 C CA 0.917 59.965 59.018 0.050 0.000 1.744 247 C CB -1.415 26.291 27.740 -0.057 0.000 1.989 247 C HN 0.527 nan 8.230 nan 0.000 0.491 248 L N 0.261 121.557 121.223 0.121 0.000 2.083 248 L HA -0.215 4.125 4.340 0.001 0.000 0.209 248 L C 2.796 179.610 176.870 -0.094 0.000 1.083 248 L CA 1.482 56.364 54.840 0.069 0.000 0.752 248 L CB -0.774 41.289 42.059 0.005 0.000 0.899 248 L HN 0.462 nan 8.230 nan 0.000 0.433 249 Q N -0.455 119.140 119.800 -0.342 0.000 2.061 249 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 249 Q C 2.412 178.253 176.000 -0.266 0.000 0.984 249 Q CA 1.261 56.836 55.803 -0.380 0.000 0.846 249 Q CB -0.116 28.326 28.738 -0.494 0.000 0.902 249 Q HN 0.374 nan 8.270 nan 0.000 0.421 250 R N 0.050 120.360 120.500 -0.317 0.000 2.081 250 R HA -0.125 4.216 4.340 0.001 0.000 0.235 250 R C 2.082 178.362 176.300 -0.034 0.000 1.131 250 R CA 1.032 56.998 56.100 -0.223 0.000 0.960 250 R CB -0.827 29.297 30.300 -0.293 0.000 0.856 250 R HN 0.302 nan 8.270 nan 0.000 0.436 251 F N 1.561 121.464 119.950 -0.077 0.000 2.075 251 F HA -0.184 4.344 4.527 0.001 0.000 0.297 251 F C 2.278 178.122 175.800 0.073 0.000 1.113 251 F CA 1.557 59.572 58.000 0.024 0.000 1.218 251 F CB -0.448 38.612 39.000 0.100 0.000 0.984 251 F HN 0.029 nan 8.300 nan 0.000 0.472 252 A N 0.020 122.796 122.820 -0.075 0.000 1.877 252 A HA -0.247 4.074 4.320 0.001 0.000 0.216 252 A C 2.287 179.805 177.584 -0.111 0.000 1.186 252 A CA 1.829 53.789 52.037 -0.128 0.000 0.620 252 A CB -1.141 17.762 19.000 -0.161 0.000 0.822 252 A HN 0.626 nan 8.150 nan 0.000 0.443 253 E N -1.718 118.407 120.200 -0.126 0.000 2.072 253 E HA -0.238 4.112 4.350 0.001 0.000 0.191 253 E C 1.856 178.359 176.600 -0.162 0.000 0.985 253 E CA 1.290 57.615 56.400 -0.125 0.000 0.801 253 E CB -0.352 29.271 29.700 -0.129 0.000 0.750 253 E HN 0.694 nan 8.360 nan 0.000 0.452 254 Y N -0.178 119.910 120.300 -0.354 0.000 2.081 254 Y HA -0.313 4.238 4.550 0.001 0.000 0.280 254 Y C 1.824 177.347 175.900 -0.628 0.000 1.163 254 Y CA 2.286 60.074 58.100 -0.520 0.000 1.135 254 Y CB -0.232 37.801 38.460 -0.712 0.000 0.970 254 Y HN 0.147 nan 8.280 nan 0.000 0.498 255 Y N -1.048 119.088 120.300 -0.273 0.000 2.457 255 Y HA 0.056 4.606 4.550 0.001 0.000 0.292 255 Y C 2.357 178.005 175.900 -0.419 0.000 1.125 255 Y CA 0.513 58.303 58.100 -0.517 0.000 1.254 255 Y CB -0.855 36.831 38.460 -1.290 0.000 1.012 255 Y HN 0.209 nan 8.280 nan 0.000 0.555 256 A N 0.092 122.813 122.820 -0.165 0.000 2.019 256 A HA -0.125 4.195 4.320 0.001 0.000 0.219 256 A C 1.960 179.532 177.584 -0.020 0.000 1.164 256 A CA 1.503 53.538 52.037 -0.004 0.000 0.644 256 A CB -0.164 18.849 19.000 0.022 0.000 0.805 256 A HN 0.138 nan 8.150 nan 0.000 0.449 257 K N -1.975 118.366 120.400 -0.097 0.000 2.367 257 K HA 0.150 4.470 4.320 0.001 0.000 0.195 257 K C 0.055 176.557 176.600 -0.163 0.000 1.060 257 K CA -0.402 55.809 56.287 -0.126 0.000 1.022 257 K CB -0.569 31.821 32.500 -0.183 0.000 0.894 257 K HN 0.437 nan 8.250 nan 0.000 0.540 258 Y N 3.392 123.466 120.300 -0.377 0.000 2.712 258 Y HA -0.061 4.489 4.550 0.001 0.000 0.333 258 Y C 0.073 175.742 175.900 -0.386 0.000 1.225 258 Y CA -0.579 57.200 58.100 -0.534 0.000 1.499 258 Y CB 0.352 38.391 38.460 -0.701 0.000 1.288 258 Y HN -0.044 nan 8.280 nan 0.000 0.575 259 D N 5.791 125.605 120.400 -0.977 0.000 2.483 259 D HA 0.038 4.678 4.640 0.001 0.000 0.220 259 D C 0.240 176.028 176.300 -0.854 0.000 1.173 259 D CA 0.095 53.688 54.000 -0.678 0.000 0.964 259 D CB -0.548 39.983 40.800 -0.449 0.000 1.046 259 D HN 0.525 nan 8.370 nan 0.000 0.517 260 F N 1.052 120.743 119.950 -0.432 0.000 2.451 260 F HA -0.132 4.396 4.527 0.001 0.000 0.299 260 F C 2.687 178.347 175.800 -0.232 0.000 1.101 260 F CA 0.743 58.598 58.000 -0.242 0.000 1.436 260 F CB -0.238 38.712 39.000 -0.083 0.000 1.074 260 F HN 0.360 nan 8.300 nan 0.000 0.553 261 S N -0.197 115.451 115.700 -0.087 0.000 2.399 261 S HA -0.126 4.345 4.470 0.001 0.000 0.231 261 S C 1.993 176.496 174.600 -0.162 0.000 1.022 261 S CA 1.075 59.217 58.200 -0.097 0.000 0.983 261 S CB -0.419 62.729 63.200 -0.087 0.000 0.803 261 S HN 0.239 nan 8.310 nan 0.000 0.480 262 A N 0.953 123.619 122.820 -0.257 0.000 2.026 262 A HA 0.658 4.978 4.320 0.001 0.000 0.201 262 A C 1.270 178.557 177.584 -0.495 0.000 1.318 262 A CA 0.416 52.193 52.037 -0.433 0.000 0.857 262 A CB -0.580 18.238 19.000 -0.302 0.000 0.939 262 A HN 0.661 nan 8.150 nan 0.000 0.476 263 G N -0.252 108.349 108.800 -0.332 0.000 2.434 263 G HA2 0.485 4.446 3.960 0.001 0.000 0.330 263 G HA3 0.485 4.446 3.960 0.001 0.000 0.330 263 G C -0.051 174.877 174.900 0.046 0.000 1.155 263 G CA 0.411 45.417 45.100 -0.157 0.000 0.917 263 G HN 0.536 nan 8.290 nan 0.000 0.493 264 T N -2.502 112.157 114.554 0.175 0.000 2.949 264 T HA 0.621 4.971 4.350 0.001 0.000 0.287 264 T C -0.523 174.357 174.700 0.299 0.000 1.034 264 T CA -0.729 61.501 62.100 0.218 0.000 1.018 264 T CB 1.751 70.643 68.868 0.040 0.000 1.135 264 T HN 0.364 nan 8.240 nan 0.000 0.532 265 V N 2.119 122.189 119.914 0.260 0.000 2.383 265 V HA 0.680 4.800 4.120 0.001 0.000 0.275 265 V C 0.149 176.327 176.094 0.140 0.000 1.036 265 V CA -0.333 62.077 62.300 0.183 0.000 0.889 265 V CB 0.794 32.733 31.823 0.193 0.000 0.985 265 V HN 1.117 nan 8.190 nan 0.000 0.459 266 S N 4.332 120.125 115.700 0.156 0.000 2.533 266 S HA 0.556 5.026 4.470 0.001 0.000 0.271 266 S C 0.149 174.864 174.600 0.191 0.000 1.143 266 S CA -0.685 57.640 58.200 0.208 0.000 0.891 266 S CB 1.664 65.024 63.200 0.267 0.000 1.105 266 S HN 0.533 nan 8.310 nan 0.000 0.468 267 L N 4.370 125.732 121.223 0.230 0.000 2.529 267 L HA 0.271 4.612 4.340 0.001 0.000 0.223 267 L C 1.538 178.560 176.870 0.253 0.000 1.113 267 L CA 0.400 55.361 54.840 0.201 0.000 0.861 267 L CB -0.300 41.847 42.059 0.148 0.000 1.012 267 L HN 0.669 nan 8.230 nan 0.000 0.461 268 I N -1.148 119.588 120.570 0.277 0.000 2.400 268 I HA -0.135 4.036 4.170 0.001 0.000 0.248 268 I C 0.831 177.098 176.117 0.250 0.000 1.109 268 I CA 0.933 62.404 61.300 0.286 0.000 1.425 268 I CB 0.204 38.410 38.000 0.343 0.000 1.094 268 I HN 0.204 nan 8.210 nan 0.000 0.425 269 H N 0.845 120.023 119.070 0.180 0.000 2.651 269 H HA 0.293 4.850 4.556 0.001 0.000 0.252 269 H C -2.635 172.774 175.328 0.135 0.000 1.365 269 H CA -1.871 54.264 56.048 0.145 0.000 1.539 269 H CB 0.906 30.765 29.762 0.162 0.000 1.621 269 H HN -0.137 nan 8.280 nan 0.000 0.526 270 P HA -0.009 nan 4.420 nan 0.000 0.264 270 P C -0.198 177.257 177.300 0.258 0.000 1.183 270 P CA 0.474 63.670 63.100 0.160 0.000 0.763 270 P CB 0.459 32.189 31.700 0.051 0.000 0.807 271 R N -0.739 119.918 120.500 0.263 0.000 3.963 271 R HA -0.230 4.110 4.340 0.001 0.000 0.394 271 R C 0.525 176.985 176.300 0.265 0.000 1.131 271 R CA 0.440 56.728 56.100 0.314 0.000 1.059 271 R CB -1.805 28.672 30.300 0.294 0.000 1.614 271 R HN 0.502 nan 8.270 nan 0.000 0.546 272 R N 2.169 122.835 120.500 0.275 0.000 2.523 272 R HA -0.045 4.296 4.340 0.001 0.000 0.281 272 R C 0.414 176.803 176.300 0.149 0.000 0.969 272 R CA 0.268 56.447 56.100 0.131 0.000 1.093 272 R CB 0.363 30.687 30.300 0.040 0.000 0.917 272 R HN 0.101 nan 8.270 nan 0.000 0.408 273 H N 4.015 123.111 119.070 0.043 0.000 2.897 273 H HA -0.028 4.528 4.556 0.001 0.000 0.347 273 H C 0.753 176.138 175.328 0.096 0.000 1.068 273 H CA 0.854 56.934 56.048 0.053 0.000 1.426 273 H CB 0.747 30.524 29.762 0.025 0.000 1.410 273 H HN 0.656 nan 8.280 nan 0.000 0.597 274 R N 1.038 121.514 120.500 -0.040 0.000 2.119 274 R HA -0.164 4.177 4.340 0.001 0.000 0.246 274 R C 2.200 178.671 176.300 0.285 0.000 1.146 274 R CA 2.341 58.519 56.100 0.130 0.000 0.962 274 R CB -0.267 30.044 30.300 0.017 0.000 0.863 274 R HN 0.729 nan 8.270 nan 0.000 0.442 275 T N -2.171 112.636 114.554 0.422 0.000 3.023 275 T HA 0.011 4.362 4.350 0.001 0.000 0.266 275 T C 1.910 176.699 174.700 0.148 0.000 1.093 275 T CA 0.834 63.085 62.100 0.252 0.000 1.129 275 T CB -0.095 68.891 68.868 0.196 0.000 0.899 275 T HN -0.018 nan 8.240 nan 0.000 0.491 276 V N 0.432 120.448 119.914 0.171 0.000 2.407 276 V HA -0.019 4.101 4.120 0.001 0.000 0.245 276 V C 2.223 178.364 176.094 0.079 0.000 1.041 276 V CA 1.284 63.630 62.300 0.076 0.000 1.040 276 V CB -1.003 30.842 31.823 0.037 0.000 0.671 276 V HN 0.540 nan 8.190 nan 0.000 0.455 277 Y N 1.562 121.886 120.300 0.039 0.000 2.165 277 Y HA -0.300 4.250 4.550 0.001 0.000 0.286 277 Y C 2.598 178.510 175.900 0.021 0.000 1.155 277 Y CA 2.314 60.435 58.100 0.035 0.000 1.164 277 Y CB -0.252 38.260 38.460 0.086 0.000 0.978 277 Y HN 0.395 nan 8.280 nan 0.000 0.513 278 E N -0.100 120.068 120.200 -0.053 0.000 2.085 278 E HA -0.287 4.064 4.350 0.001 0.000 0.194 278 E C 2.507 179.016 176.600 -0.152 0.000 0.994 278 E CA 1.216 57.536 56.400 -0.133 0.000 0.801 278 E CB -0.259 29.451 29.700 0.017 0.000 0.743 278 E HN 0.313 nan 8.360 nan 0.000 0.453 279 R N 0.593 121.039 120.500 -0.091 0.000 2.081 279 R HA -0.108 4.233 4.340 0.001 0.000 0.235 279 R C 2.238 178.460 176.300 -0.129 0.000 1.131 279 R CA 1.248 57.299 56.100 -0.082 0.000 0.960 279 R CB -0.618 29.654 30.300 -0.046 0.000 0.856 279 R HN 0.192 nan 8.270 nan 0.000 0.436 280 V N 0.636 120.437 119.914 -0.188 0.000 2.332 280 V HA -0.222 3.898 4.120 0.001 0.000 0.248 280 V C 2.576 178.461 176.094 -0.349 0.000 1.055 280 V CA 1.628 63.755 62.300 -0.287 0.000 1.038 280 V CB -0.335 31.279 31.823 -0.350 0.000 0.651 280 V HN 0.117 nan 8.190 nan 0.000 0.450 281 V N -0.315 119.359 119.914 -0.400 0.000 2.358 281 V HA -0.244 3.876 4.120 0.001 0.000 0.246 281 V C 2.568 178.606 176.094 -0.094 0.000 1.047 281 V CA 2.026 64.159 62.300 -0.279 0.000 1.035 281 V CB -0.744 30.830 31.823 -0.415 0.000 0.658 281 V HN 0.475 nan 8.190 nan 0.000 0.452 282 R N -0.348 120.091 120.500 -0.103 0.000 2.081 282 R HA -0.179 4.161 4.340 0.001 0.000 0.235 282 R C 2.544 178.835 176.300 -0.014 0.000 1.131 282 R CA 1.796 57.869 56.100 -0.046 0.000 0.960 282 R CB -0.417 29.857 30.300 -0.045 0.000 0.856 282 R HN 0.432 nan 8.270 nan 0.000 0.436 283 R N -0.016 120.472 120.500 -0.019 0.000 2.073 283 R HA -0.203 4.137 4.340 0.001 0.000 0.234 283 R C 2.250 178.596 176.300 0.077 0.000 1.134 283 R CA 1.975 58.084 56.100 0.015 0.000 0.952 283 R CB -0.360 29.939 30.300 -0.001 0.000 0.850 283 R HN 0.289 nan 8.270 nan 0.000 0.433 284 H N 0.540 119.600 119.070 -0.016 0.000 2.319 284 H HA -0.109 4.447 4.556 0.001 0.000 0.297 284 H C 1.948 177.337 175.328 0.102 0.000 1.097 284 H CA 2.311 58.408 56.048 0.083 0.000 1.285 284 H CB -0.281 29.522 29.762 0.068 0.000 1.368 284 H HN 0.186 nan 8.280 nan 0.000 0.495 285 L N 0.014 121.248 121.223 0.018 0.000 2.141 285 L HA -0.104 4.236 4.340 0.001 0.000 0.209 285 L C 2.367 179.215 176.870 -0.037 0.000 1.094 285 L CA 1.294 56.103 54.840 -0.052 0.000 0.763 285 L CB -0.362 41.692 42.059 -0.009 0.000 0.908 285 L HN 0.464 nan 8.230 nan 0.000 0.437 286 E N 0.202 120.400 120.200 -0.003 0.000 2.106 286 E HA -0.181 4.169 4.350 0.001 0.000 0.192 286 E C 2.347 178.965 176.600 0.031 0.000 0.984 286 E CA 0.945 57.352 56.400 0.011 0.000 0.806 286 E CB -0.023 29.684 29.700 0.012 0.000 0.750 286 E HN 0.484 nan 8.360 nan 0.000 0.458 287 L N 0.423 121.684 121.223 0.064 0.000 2.056 287 L HA -0.173 4.167 4.340 0.001 0.000 0.207 287 L C 2.518 179.513 176.870 0.208 0.000 1.078 287 L CA 0.383 55.316 54.840 0.155 0.000 0.749 287 L CB -0.273 41.942 42.059 0.261 0.000 0.901 287 L HN 0.154 nan 8.230 nan 0.000 0.433 288 L N 0.252 121.503 121.223 0.046 0.000 2.046 288 L HA -0.109 4.231 4.340 0.001 0.000 0.208 288 L C 2.424 179.291 176.870 -0.005 0.000 1.077 288 L CA 2.069 56.854 54.840 -0.091 0.000 0.747 288 L CB -1.068 40.831 42.059 -0.268 0.000 0.896 288 L HN 0.170 nan 8.230 nan 0.000 0.432 289 G N -2.153 106.646 108.800 -0.001 0.000 2.418 289 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 289 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 289 G C 1.625 176.571 174.900 0.076 0.000 1.158 289 G CA 0.888 46.019 45.100 0.053 0.000 0.771 289 G HN 0.455 nan 8.290 nan 0.000 0.545 290 S N 0.342 116.050 115.700 0.014 0.000 2.356 290 S HA -0.103 4.367 4.470 0.001 0.000 0.223 290 S C 2.340 176.875 174.600 -0.108 0.000 1.032 290 S CA 1.428 59.605 58.200 -0.038 0.000 1.005 290 S CB -0.201 62.984 63.200 -0.025 0.000 0.867 290 S HN 0.362 nan 8.310 nan 0.000 0.449 291 R N 2.042 122.450 120.500 -0.154 0.000 2.075 291 R HA 0.048 4.388 4.340 0.001 0.000 0.232 291 R C 2.092 178.083 176.300 -0.515 0.000 1.126 291 R CA 1.681 57.532 56.100 -0.414 0.000 0.963 291 R CB -0.478 29.452 30.300 -0.616 0.000 0.858 291 R HN 0.349 nan 8.270 nan 0.000 0.435 292 K N 0.052 120.281 120.400 -0.284 0.000 2.026 292 K HA -0.188 4.133 4.320 0.001 0.000 0.208 292 K C 2.230 178.825 176.600 -0.008 0.000 1.048 292 K CA 1.709 58.013 56.287 0.029 0.000 0.929 292 K CB -0.209 32.395 32.500 0.173 0.000 0.713 292 K HN 0.140 nan 8.250 nan 0.000 0.439 293 R N 1.071 121.516 120.500 -0.091 0.000 2.081 293 R HA -0.137 4.204 4.340 0.001 0.000 0.235 293 R C 2.524 178.727 176.300 -0.161 0.000 1.131 293 R CA 1.464 57.329 56.100 -0.392 0.000 0.960 293 R CB -0.398 29.510 30.300 -0.653 0.000 0.856 293 R HN 0.365 nan 8.270 nan 0.000 0.436 294 L N 0.985 122.125 121.223 -0.138 0.000 2.042 294 L HA -0.174 4.167 4.340 0.001 0.000 0.210 294 L C 1.854 178.716 176.870 -0.014 0.000 1.076 294 L CA 1.704 56.489 54.840 -0.092 0.000 0.749 294 L CB -0.249 41.731 42.059 -0.132 0.000 0.893 294 L HN 0.218 nan 8.230 nan 0.000 0.432 295 E N -0.361 119.834 120.200 -0.009 0.000 2.106 295 E HA -0.205 4.145 4.350 0.001 0.000 0.192 295 E C 1.901 178.683 176.600 0.302 0.000 0.984 295 E CA 1.244 57.707 56.400 0.104 0.000 0.806 295 E CB -0.366 29.370 29.700 0.060 0.000 0.750 295 E HN 0.643 nan 8.360 nan 0.000 0.458 296 W N 2.091 123.430 121.300 0.065 0.000 2.335 296 W HA -0.119 4.541 4.660 0.001 0.000 0.311 296 W C 2.196 178.770 176.519 0.092 0.000 1.213 296 W CA 0.704 58.108 57.345 0.099 0.000 1.274 296 W CB -0.587 28.930 29.460 0.096 0.000 1.148 296 W HN 0.088 nan 8.180 nan 0.000 0.498 297 E N 0.212 120.560 120.200 0.246 0.000 2.106 297 E HA -0.160 4.191 4.350 0.001 0.000 0.192 297 E C 1.881 178.548 176.600 0.110 0.000 0.984 297 E CA 1.154 57.634 56.400 0.133 0.000 0.806 297 E CB -0.388 29.339 29.700 0.045 0.000 0.750 297 E HN 0.370 nan 8.360 nan 0.000 0.458 298 K N -0.083 120.385 120.400 0.113 0.000 2.026 298 K HA -0.199 4.122 4.320 0.001 0.000 0.208 298 K C 2.220 178.887 176.600 0.111 0.000 1.048 298 K CA 1.530 57.869 56.287 0.086 0.000 0.929 298 K CB -0.320 32.226 32.500 0.077 0.000 0.713 298 K HN 0.177 nan 8.250 nan 0.000 0.439 299 H N 0.751 119.879 119.070 0.096 0.000 2.321 299 H HA -0.055 4.502 4.556 0.001 0.000 0.300 299 H C 1.820 177.232 175.328 0.140 0.000 1.087 299 H CA 1.811 57.938 56.048 0.131 0.000 1.319 299 H CB -0.058 29.746 29.762 0.071 0.000 1.379 299 H HN 0.088 nan 8.280 nan 0.000 0.501 300 I N 0.326 120.976 120.570 0.133 0.000 2.286 300 I HA -0.233 3.937 4.170 0.001 0.000 0.248 300 I C 2.701 178.808 176.117 -0.017 0.000 1.115 300 I CA 0.953 62.296 61.300 0.072 0.000 1.392 300 I CB -0.416 37.662 38.000 0.130 0.000 1.065 300 I HN 0.479 nan 8.210 nan 0.000 0.418 301 A N 0.326 123.135 122.820 -0.017 0.000 1.933 301 A HA -0.226 4.094 4.320 0.001 0.000 0.218 301 A C 2.178 179.687 177.584 -0.125 0.000 1.175 301 A CA 1.705 53.712 52.037 -0.050 0.000 0.628 301 A CB -0.512 18.470 19.000 -0.029 0.000 0.814 301 A HN 0.459 nan 8.150 nan 0.000 0.444 302 E N -1.163 118.916 120.200 -0.202 0.000 2.285 302 E HA -0.047 4.304 4.350 0.001 0.000 0.194 302 E C -0.262 175.881 176.600 -0.762 0.000 0.997 302 E CA 0.587 56.735 56.400 -0.420 0.000 0.845 302 E CB 0.042 29.494 29.700 -0.413 0.000 0.782 302 E HN 0.701 nan 8.360 nan 0.000 0.491 303 H N -0.290 118.628 119.070 -0.253 0.000 2.538 303 H HA 0.219 4.775 4.556 0.001 0.000 0.239 303 H C 0.104 175.353 175.328 -0.131 0.000 1.401 303 H CA -0.215 55.699 56.048 -0.223 0.000 1.499 303 H CB 0.660 30.197 29.762 -0.375 0.000 1.624 303 H HN -0.045 nan 8.280 nan 0.000 0.524 304 K N 0.986 121.373 120.400 -0.021 0.000 2.147 304 K HA -0.129 4.192 4.320 0.001 0.000 0.205 304 K C 1.882 178.498 176.600 0.026 0.000 1.049 304 K CA 1.179 57.465 56.287 -0.002 0.000 0.936 304 K CB 0.362 32.854 32.500 -0.014 0.000 0.722 304 K HN 0.512 nan 8.250 nan 0.000 0.446 305 E N 0.843 121.065 120.200 0.036 0.000 2.409 305 E HA -0.193 4.158 4.350 0.001 0.000 0.198 305 E C 0.340 176.970 176.600 0.049 0.000 1.024 305 E CA 1.108 57.531 56.400 0.038 0.000 0.861 305 E CB -0.016 29.705 29.700 0.036 0.000 0.788 305 E HN 0.217 nan 8.360 nan 0.000 0.521 306 D N 1.151 121.593 120.400 0.071 0.000 2.340 306 D HA 0.136 4.777 4.640 0.001 0.000 0.220 306 D C 0.728 177.077 176.300 0.083 0.000 1.039 306 D CA 0.606 54.658 54.000 0.087 0.000 0.866 306 D CB 0.309 41.210 40.800 0.169 0.000 0.913 306 D HN 0.272 nan 8.370 nan 0.000 0.523 307 G N 0.929 109.772 108.800 0.071 0.000 2.613 307 G HA2 0.519 4.480 3.960 0.001 0.000 0.303 307 G HA3 0.519 4.480 3.960 0.001 0.000 0.303 307 G C -2.128 172.805 174.900 0.056 0.000 1.312 307 G CA -0.832 44.311 45.100 0.071 0.000 1.036 307 G HN -0.069 nan 8.290 nan 0.000 0.513 308 P HA 0.252 nan 4.420 nan 0.000 0.277 308 P C -0.171 177.185 177.300 0.094 0.000 1.271 308 P CA -0.758 62.380 63.100 0.063 0.000 0.795 308 P CB 0.930 32.657 31.700 0.046 0.000 1.101 309 L N 0.770 122.058 121.223 0.108 0.000 2.540 309 L HA 0.032 4.372 4.340 0.001 0.000 0.276 309 L C 0.504 177.472 176.870 0.164 0.000 1.212 309 L CA 0.358 55.302 54.840 0.174 0.000 0.893 309 L CB -0.189 41.950 42.059 0.134 0.000 1.138 309 L HN 0.350 nan 8.230 nan 0.000 0.491 310 D N 4.755 125.299 120.400 0.240 0.000 2.347 310 D HA 0.011 4.651 4.640 0.001 0.000 0.235 310 D C 0.662 177.104 176.300 0.236 0.000 1.149 310 D CA -0.326 53.796 54.000 0.202 0.000 0.850 310 D CB 1.121 42.037 40.800 0.193 0.000 1.061 310 D HN 0.618 nan 8.370 nan 0.000 0.487 311 E N 3.180 123.470 120.200 0.149 0.000 2.118 311 E HA -0.176 4.174 4.350 0.001 0.000 0.195 311 E C 1.255 177.954 176.600 0.166 0.000 0.992 311 E CA 0.879 57.361 56.400 0.137 0.000 0.804 311 E CB 0.136 29.881 29.700 0.075 0.000 0.741 311 E HN 0.551 nan 8.360 nan 0.000 0.458 312 N N 1.314 120.096 118.700 0.137 0.000 2.084 312 N HA -0.129 4.612 4.740 0.001 0.000 0.190 312 N C 1.417 177.011 175.510 0.141 0.000 1.030 312 N CA 1.040 54.159 53.050 0.114 0.000 0.849 312 N CB -0.333 38.206 38.487 0.087 0.000 1.012 312 N HN 0.161 nan 8.380 nan 0.000 0.423 313 D N 0.163 120.686 120.400 0.207 0.000 2.117 313 D HA -0.128 4.512 4.640 0.001 0.000 0.197 313 D C 1.742 178.232 176.300 0.315 0.000 0.987 313 D CA 0.517 54.682 54.000 0.276 0.000 0.829 313 D CB -0.458 40.555 40.800 0.354 0.000 0.961 313 D HN 0.187 nan 8.370 nan 0.000 0.460 314 F N 1.594 121.619 119.950 0.126 0.000 2.102 314 F HA -0.189 4.339 4.527 0.001 0.000 0.298 314 F C 2.479 178.177 175.800 -0.169 0.000 1.105 314 F CA 1.232 59.066 58.000 -0.276 0.000 1.239 314 F CB -0.218 38.524 39.000 -0.431 0.000 0.991 314 F HN -0.177 nan 8.300 nan 0.000 0.474 315 S N 0.332 116.026 115.700 -0.010 0.000 2.370 315 S HA -0.201 4.269 4.470 0.001 0.000 0.226 315 S C 2.306 176.839 174.600 -0.111 0.000 1.033 315 S CA 1.107 59.266 58.200 -0.068 0.000 1.011 315 S CB -0.888 62.330 63.200 0.030 0.000 0.852 315 S HN 0.535 nan 8.310 nan 0.000 0.457 316 A N 1.676 124.472 122.820 -0.040 0.000 1.908 316 A HA -0.033 4.287 4.320 0.001 0.000 0.218 316 A C 1.660 179.204 177.584 -0.066 0.000 1.181 316 A CA 1.397 53.419 52.037 -0.024 0.000 0.627 316 A CB -1.013 18.006 19.000 0.031 0.000 0.818 316 A HN 0.619 nan 8.150 nan 0.000 0.445 320 N N 0.325 118.998 118.700 -0.045 0.000 2.166 320 N HA -0.178 4.562 4.740 0.001 0.000 0.186 320 N C 0.864 176.364 175.510 -0.018 0.000 1.019 320 N CA 1.574 54.610 53.050 -0.022 0.000 0.856 320 N CB 0.213 38.690 38.487 -0.017 0.000 0.993 320 N HN 0.236 nan 8.380 nan 0.000 0.426 321 E N 0.146 120.323 120.200 -0.038 0.000 2.110 321 E HA -0.108 4.242 4.350 0.001 0.000 0.193 321 E C 1.894 178.499 176.600 0.009 0.000 0.988 321 E CA 1.126 57.515 56.400 -0.018 0.000 0.804 321 E CB -0.637 29.036 29.700 -0.044 0.000 0.745 321 E HN 0.443 nan 8.360 nan 0.000 0.458 322 T N 0.848 115.398 114.554 -0.007 0.000 2.777 322 T HA -0.118 4.232 4.350 0.001 0.000 0.266 322 T C 2.060 176.778 174.700 0.030 0.000 1.040 322 T CA 2.014 64.119 62.100 0.009 0.000 1.141 322 T CB -0.395 68.468 68.868 -0.007 0.000 0.868 322 T HN 0.419 nan 8.240 nan 0.000 0.444 323 T N 0.640 115.207 114.554 0.023 0.000 3.035 323 T HA -0.031 4.319 4.350 0.001 0.000 0.268 323 T C 1.745 176.476 174.700 0.052 0.000 1.109 323 T CA 0.728 62.849 62.100 0.034 0.000 1.119 323 T CB -0.343 68.539 68.868 0.022 0.000 0.900 323 T HN 0.377 nan 8.240 nan 0.000 0.503 324 Q N 0.462 120.294 119.800 0.054 0.000 2.472 324 Q HA 0.178 4.519 4.340 0.001 0.000 0.208 324 Q C 0.968 177.040 176.000 0.120 0.000 0.958 324 Q CA 0.460 56.306 55.803 0.071 0.000 0.932 324 Q CB 0.184 28.954 28.738 0.053 0.000 1.007 324 Q HN 0.508 nan 8.270 nan 0.000 0.508 325 R N 0.846 121.425 120.500 0.132 0.000 2.772 325 R HA 0.215 4.555 4.340 0.001 0.000 0.358 325 R C -2.553 173.879 176.300 0.220 0.000 1.143 325 R CA -1.231 54.993 56.100 0.207 0.000 1.153 325 R CB 0.835 31.220 30.300 0.142 0.000 1.329 325 R HN 0.071 nan 8.270 nan 0.000 0.615 326 P HA 0.021 nan 4.420 nan 0.000 0.275 326 P C 0.404 177.880 177.300 0.292 0.000 1.227 326 P CA 0.148 63.358 63.100 0.185 0.000 0.781 326 P CB 1.622 33.397 31.700 0.124 0.000 0.906 327 S N 0.620 116.479 115.700 0.265 0.000 2.556 327 S HA 0.002 4.473 4.470 0.001 0.000 0.216 327 S C 0.875 175.574 174.600 0.165 0.000 0.970 327 S CA -0.241 58.149 58.200 0.317 0.000 0.912 327 S CB -0.755 62.639 63.200 0.323 0.000 0.790 327 S HN 0.548 nan 8.310 nan 0.000 0.504 328 N N 1.524 120.293 118.700 0.114 0.000 2.200 328 N HA 0.091 4.831 4.740 0.001 0.000 0.224 328 N C -0.037 175.494 175.510 0.036 0.000 1.179 328 N CA 0.025 53.113 53.050 0.064 0.000 0.877 328 N CB -0.046 38.473 38.487 0.053 0.000 1.072 328 N HN 0.382 nan 8.380 nan 0.000 0.519 329 S N 0.249 115.978 115.700 0.048 0.000 2.600 329 S HA 0.343 4.813 4.470 0.001 0.000 0.265 329 S C -1.427 173.151 174.600 -0.037 0.000 1.325 329 S CA -0.756 57.459 58.200 0.024 0.000 1.002 329 S CB 0.971 64.209 63.200 0.063 0.000 0.921 329 S HN -0.133 nan 8.310 nan 0.000 0.554 330 P HA -0.059 nan 4.420 nan 0.000 0.216 330 P C -0.504 176.468 177.300 -0.546 0.000 1.157 330 P CA 1.453 64.359 63.100 -0.322 0.000 0.880 330 P CB -0.102 31.403 31.700 -0.324 0.000 0.791 331 Y N -2.284 117.974 120.300 -0.071 0.000 2.376 331 Y HA 0.440 4.991 4.550 0.001 0.000 0.340 331 Y C -0.218 175.711 175.900 0.047 0.000 0.965 331 Y CA -1.141 56.915 58.100 -0.074 0.000 1.078 331 Y CB 1.716 40.144 38.460 -0.054 0.000 1.193 331 Y HN -0.454 nan 8.280 nan 0.000 0.452 332 V N 4.752 124.809 119.914 0.239 0.000 2.326 332 V HA 0.449 4.569 4.120 0.001 0.000 0.281 332 V C -0.810 175.342 176.094 0.096 0.000 1.015 332 V CA -0.767 61.581 62.300 0.081 0.000 0.823 332 V CB 1.238 33.016 31.823 -0.076 0.000 1.009 332 V HN 0.542 nan 8.190 nan 0.000 0.436 333 V N 4.318 124.273 119.914 0.068 0.000 2.407 333 V HA 0.402 4.522 4.120 0.001 0.000 0.291 333 V C 0.037 176.159 176.094 0.048 0.000 1.018 333 V CA -0.636 61.700 62.300 0.060 0.000 0.842 333 V CB 1.838 33.673 31.823 0.020 0.000 0.996 333 V HN 0.916 nan 8.190 nan 0.000 0.426 334 E N 3.594 123.828 120.200 0.057 0.000 2.167 334 E HA 0.164 4.514 4.350 0.001 0.000 0.284 334 E C -0.791 175.904 176.600 0.158 0.000 1.016 334 E CA -0.611 55.866 56.400 0.127 0.000 0.817 334 E CB 0.965 30.783 29.700 0.198 0.000 1.080 334 E HN 0.709 nan 8.360 nan 0.000 0.397 335 D N 4.726 125.181 120.400 0.092 0.000 2.343 335 D HA -0.028 4.612 4.640 0.001 0.000 0.255 335 D C 0.717 176.844 176.300 -0.289 0.000 1.187 335 D CA -0.383 53.547 54.000 -0.117 0.000 0.875 335 D CB 0.316 40.996 40.800 -0.199 0.000 1.136 335 D HN 0.488 nan 8.370 nan 0.000 0.469 336 F N 2.181 122.110 119.950 -0.034 0.000 2.502 336 F HA -0.039 4.488 4.527 0.000 0.000 0.298 336 F C 1.789 177.396 175.800 -0.321 0.000 1.111 336 F CA 0.122 58.008 58.000 -0.190 0.000 1.445 336 F CB -0.822 38.125 39.000 -0.088 0.000 1.081 336 F HN 0.186 nan 8.300 nan 0.000 0.558 337 V N -0.470 119.220 119.914 -0.374 0.000 3.608 337 V HA 0.199 4.320 4.120 0.001 0.000 0.269 337 V C 0.715 176.644 176.094 -0.276 0.000 1.245 337 V CA 1.063 63.223 62.300 -0.233 0.000 1.138 337 V CB -0.762 30.938 31.823 -0.205 0.000 0.841 337 V HN 0.534 nan 8.190 nan 0.000 0.451 338 N N -2.638 115.825 118.700 -0.394 0.000 1.997 338 N HA 0.046 4.787 4.740 0.001 0.000 0.225 338 N C 0.206 175.554 175.510 -0.270 0.000 1.383 338 N CA 0.073 52.962 53.050 -0.269 0.000 0.770 338 N CB -0.539 37.875 38.487 -0.121 0.000 1.178 338 N HN 0.289 nan 8.380 nan 0.000 0.515 339 Y N -0.933 119.282 120.300 -0.141 0.000 4.538 339 Y HA -0.252 4.298 4.550 0.001 0.000 0.225 339 Y C 0.119 176.100 175.900 0.135 0.000 1.074 339 Y CA 0.291 58.392 58.100 0.003 0.000 1.942 339 Y CB -2.364 36.012 38.460 -0.141 0.000 1.618 339 Y HN 0.091 nan 8.280 nan 0.000 0.642 340 V N 1.399 121.393 119.914 0.133 0.000 2.763 340 V HA -0.059 4.061 4.120 0.001 0.000 0.306 340 V C 0.900 177.116 176.094 0.203 0.000 1.059 340 V CA -0.077 62.312 62.300 0.148 0.000 1.138 340 V CB 0.984 32.830 31.823 0.038 0.000 0.940 340 V HN 0.400 nan 8.190 nan 0.000 0.489 341 N N 3.256 122.094 118.700 0.230 0.000 2.482 341 N HA 0.101 4.842 4.740 0.001 0.000 0.242 341 N C 0.639 176.234 175.510 0.140 0.000 1.100 341 N CA -0.111 53.046 53.050 0.178 0.000 0.946 341 N CB 0.428 39.032 38.487 0.197 0.000 1.227 341 N HN 0.702 nan 8.380 nan 0.000 0.508 342 C N 1.643 121.029 119.300 0.144 0.000 2.456 342 C HA 0.110 4.570 4.460 0.001 0.000 0.279 342 C C 2.025 177.115 174.990 0.167 0.000 1.427 342 C CA 0.736 59.852 59.018 0.162 0.000 1.778 342 C CB -1.109 26.790 27.740 0.265 0.000 1.842 342 C HN 0.822 nan 8.230 nan 0.000 0.531 343 G N 0.653 109.555 108.800 0.171 0.000 3.042 343 G HA2 -0.008 3.952 3.960 0.001 0.000 0.212 343 G HA3 -0.008 3.952 3.960 0.001 0.000 0.212 343 G C 1.603 176.620 174.900 0.195 0.000 1.166 343 G CA -0.068 45.172 45.100 0.235 0.000 0.767 343 G HN 0.723 nan 8.290 nan 0.000 0.546 344 R N 0.295 120.881 120.500 0.144 0.000 2.152 344 R HA 0.042 4.382 4.340 0.001 0.000 0.232 344 R C 1.917 178.266 176.300 0.082 0.000 1.117 344 R CA 0.686 56.854 56.100 0.114 0.000 0.981 344 R CB -0.302 30.062 30.300 0.106 0.000 0.870 344 R HN 0.202 nan 8.270 nan 0.000 0.451 345 R N 0.979 121.521 120.500 0.071 0.000 2.299 345 R HA 0.147 4.487 4.340 0.001 0.000 0.197 345 R C -0.023 176.282 176.300 0.009 0.000 0.971 345 R CA 0.088 56.209 56.100 0.036 0.000 1.030 345 R CB 0.420 30.737 30.300 0.029 0.000 0.932 345 R HN -0.017 nan 8.270 nan 0.000 0.477 346 V N 3.202 123.123 119.914 0.013 0.000 2.421 346 V HA -0.012 4.108 4.120 0.001 0.000 0.271 346 V C 0.492 176.585 176.094 -0.001 0.000 1.031 346 V CA 0.136 62.406 62.300 -0.050 0.000 1.032 346 V CB 0.771 32.497 31.823 -0.163 0.000 1.009 346 V HN 0.188 nan 8.190 nan 0.000 0.477 347 Q N 3.219 123.002 119.800 -0.029 0.000 2.354 347 Q HA 0.356 4.696 4.340 0.001 0.000 0.244 347 Q C 1.487 177.475 176.000 -0.021 0.000 0.969 347 Q CA 0.251 56.042 55.803 -0.020 0.000 0.885 347 Q CB 1.190 29.911 28.738 -0.028 0.000 1.241 347 Q HN 0.771 nan 8.270 nan 0.000 0.461 348 A N 1.790 124.593 122.820 -0.028 0.000 1.948 348 A HA -0.188 4.133 4.320 0.001 0.000 0.220 348 A C 2.010 179.577 177.584 -0.028 0.000 1.177 348 A CA 2.091 54.103 52.037 -0.042 0.000 0.636 348 A CB -0.303 18.672 19.000 -0.042 0.000 0.815 348 A HN 0.655 nan 8.150 nan 0.000 0.449 349 S N -1.052 114.634 115.700 -0.023 0.000 2.555 349 S HA 0.001 4.471 4.470 0.001 0.000 0.230 349 S C 1.695 176.287 174.600 -0.012 0.000 0.978 349 S CA 0.795 58.984 58.200 -0.018 0.000 0.934 349 S CB -0.146 63.041 63.200 -0.022 0.000 0.766 349 S HN 0.487 nan 8.310 nan 0.000 0.533 350 R N 0.505 120.995 120.500 -0.016 0.000 2.300 350 R HA 0.264 4.605 4.340 0.001 0.000 0.199 350 R C 1.722 178.044 176.300 0.036 0.000 0.920 350 R CA 0.069 56.160 56.100 -0.014 0.000 1.046 350 R CB -0.820 29.434 30.300 -0.078 0.000 0.984 350 R HN 0.224 nan 8.270 nan 0.000 0.493 351 V N 0.782 120.729 119.914 0.056 0.000 2.392 351 V HA -0.283 3.838 4.120 0.001 0.000 0.249 351 V C 2.454 178.608 176.094 0.100 0.000 1.059 351 V CA 2.064 64.428 62.300 0.107 0.000 1.051 351 V CB -0.464 31.368 31.823 0.014 0.000 0.658 351 V HN 0.315 nan 8.190 nan 0.000 0.455 352 R N -0.147 120.394 120.500 0.067 0.000 2.094 352 R HA -0.296 4.045 4.340 0.001 0.000 0.239 352 R C 2.400 178.749 176.300 0.082 0.000 1.137 352 R CA 2.678 58.818 56.100 0.065 0.000 0.943 352 R CB -0.573 29.756 30.300 0.049 0.000 0.850 352 R HN 0.715 nan 8.270 nan 0.000 0.433 353 H N 0.021 119.091 119.070 -0.001 0.000 2.321 353 H HA -0.033 4.523 4.556 0.001 0.000 0.300 353 H C 2.009 177.339 175.328 0.003 0.000 1.087 353 H CA 2.309 58.346 56.048 -0.019 0.000 1.319 353 H CB -0.160 29.564 29.762 -0.064 0.000 1.379 353 H HN 0.265 nan 8.280 nan 0.000 0.501 354 I N 0.060 120.615 120.570 -0.026 0.000 2.179 354 I HA -0.270 3.901 4.170 0.001 0.000 0.242 354 I C 2.560 178.793 176.117 0.194 0.000 1.088 354 I CA 1.644 62.954 61.300 0.016 0.000 1.357 354 I CB -0.336 37.706 38.000 0.071 0.000 1.051 354 I HN 0.364 nan 8.210 nan 0.000 0.409 355 Q N 1.129 121.055 119.800 0.209 0.000 2.050 355 Q HA -0.260 4.080 4.340 0.001 0.000 0.202 355 Q C 2.138 178.234 176.000 0.160 0.000 0.980 355 Q CA 1.850 57.796 55.803 0.239 0.000 0.840 355 Q CB -0.205 28.634 28.738 0.168 0.000 0.898 355 Q HN 0.465 nan 8.270 nan 0.000 0.424 356 Q N -0.542 119.287 119.800 0.048 0.000 2.124 356 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 356 Q C 1.949 177.938 176.000 -0.019 0.000 0.977 356 Q CA 1.320 57.126 55.803 0.005 0.000 0.850 356 Q CB 0.029 28.751 28.738 -0.027 0.000 0.901 356 Q HN 0.396 nan 8.270 nan 0.000 0.429 357 E N -0.072 120.059 120.200 -0.115 0.000 2.106 357 E HA -0.125 4.225 4.350 0.001 0.000 0.192 357 E C 1.697 178.379 176.600 0.137 0.000 0.984 357 E CA 0.849 57.198 56.400 -0.084 0.000 0.806 357 E CB -0.099 29.392 29.700 -0.349 0.000 0.750 357 E HN 0.317 nan 8.360 nan 0.000 0.458 358 F N 1.954 122.016 119.950 0.186 0.000 2.146 358 F HA -0.119 4.408 4.527 0.001 0.000 0.298 358 F C 2.136 177.945 175.800 0.014 0.000 1.096 358 F CA 0.899 58.975 58.000 0.126 0.000 1.275 358 F CB -0.361 38.711 39.000 0.121 0.000 1.008 358 F HN 0.009 nan 8.300 nan 0.000 0.480 359 N N 0.142 118.958 118.700 0.195 0.000 2.069 359 N HA -0.208 4.532 4.740 0.001 0.000 0.191 359 N C 2.044 177.575 175.510 0.035 0.000 1.031 359 N CA 1.220 54.322 53.050 0.086 0.000 0.852 359 N CB -0.568 37.956 38.487 0.062 0.000 1.018 359 N HN 0.246 nan 8.380 nan 0.000 0.423 360 R N 0.517 121.037 120.500 0.033 0.000 2.081 360 R HA -0.094 4.247 4.340 0.001 0.000 0.235 360 R C 2.094 178.375 176.300 -0.033 0.000 1.131 360 R CA 1.009 57.112 56.100 0.005 0.000 0.960 360 R CB -0.439 29.869 30.300 0.013 0.000 0.856 360 R HN 0.140 nan 8.270 nan 0.000 0.436 361 L N 1.545 122.735 121.223 -0.055 0.000 2.017 361 L HA -0.157 4.183 4.340 0.001 0.000 0.208 361 L C 2.649 179.399 176.870 -0.199 0.000 1.073 361 L CA 1.808 56.510 54.840 -0.231 0.000 0.745 361 L CB -0.664 41.051 42.059 -0.573 0.000 0.894 361 L HN 0.156 nan 8.230 nan 0.000 0.432 362 R N -0.028 120.399 120.500 -0.120 0.000 2.083 362 R HA -0.141 4.199 4.340 0.001 0.000 0.237 362 R C 0.805 177.049 176.300 -0.092 0.000 1.137 362 R CA 1.070 57.109 56.100 -0.102 0.000 0.951 362 R CB -0.304 29.965 30.300 -0.052 0.000 0.851 362 R HN 0.524 nan 8.270 nan 0.000 0.434 366 I N -0.035 120.483 120.570 -0.086 0.000 3.366 366 I HA 0.072 4.243 4.170 0.001 0.000 0.267 366 I C 1.324 177.428 176.117 -0.021 0.000 1.149 366 I CA 0.508 61.778 61.300 -0.050 0.000 1.436 366 I CB 0.370 38.322 38.000 -0.079 0.000 1.379 366 I HN 0.050 nan 8.210 nan 0.000 0.460 367 D N 1.123 121.503 120.400 -0.032 0.000 2.249 367 D HA -0.017 4.623 4.640 0.001 0.000 0.205 367 D C 0.888 177.180 176.300 -0.014 0.000 0.962 367 D CA 0.997 54.986 54.000 -0.019 0.000 0.860 367 D CB 0.141 40.927 40.800 -0.023 0.000 0.955 367 D HN 0.112 nan 8.370 nan 0.000 0.505 368 K N 1.010 121.396 120.400 -0.023 0.000 3.045 368 K HA 0.197 4.518 4.320 0.001 0.000 0.211 368 K C 0.713 177.298 176.600 -0.026 0.000 1.141 368 K CA -0.111 56.163 56.287 -0.021 0.000 1.036 368 K CB 0.909 33.392 32.500 -0.028 0.000 0.851 368 K HN 0.155 nan 8.250 nan 0.000 0.462 369 E N 0.714 120.911 120.200 -0.005 0.000 2.097 369 E HA -0.197 4.154 4.350 0.001 0.000 0.196 369 E C 1.610 178.200 176.600 -0.017 0.000 1.000 369 E CA 1.969 58.369 56.400 0.001 0.000 0.804 369 E CB 0.095 29.825 29.700 0.049 0.000 0.740 369 E HN 0.327 nan 8.360 nan 0.000 0.454 370 S N 0.452 116.150 115.700 -0.003 0.000 2.507 370 S HA -0.123 4.348 4.470 0.001 0.000 0.235 370 S C 1.443 176.046 174.600 0.005 0.000 0.988 370 S CA 0.883 59.084 58.200 0.002 0.000 0.944 370 S CB -0.042 63.162 63.200 0.007 0.000 0.762 370 S HN 0.222 nan 8.310 nan 0.000 0.526 371 E N 0.225 120.423 120.200 -0.003 0.000 2.501 371 E HA 0.321 4.671 4.350 0.001 0.000 0.201 371 E C -0.438 176.164 176.600 0.005 0.000 1.016 371 E CA -0.352 56.051 56.400 0.005 0.000 0.920 371 E CB 0.248 29.949 29.700 0.002 0.000 1.023 371 E HN 0.506 nan 8.360 nan 0.000 0.474 372 L N 2.251 123.459 121.223 -0.026 0.000 2.540 372 L HA 0.007 4.347 4.340 0.001 0.000 0.276 372 L C 0.273 177.211 176.870 0.113 0.000 1.212 372 L CA 0.762 55.563 54.840 -0.065 0.000 0.893 372 L CB 0.255 42.154 42.059 -0.266 0.000 1.138 372 L HN -0.166 nan 8.230 nan 0.000 0.491 373 K N 3.984 124.500 120.400 0.193 0.000 2.541 373 K HA 0.117 4.437 4.320 0.001 0.000 0.250 373 K C 0.304 177.200 176.600 0.494 0.000 0.950 373 K CA -0.559 55.919 56.287 0.317 0.000 0.805 373 K CB 1.772 34.388 32.500 0.194 0.000 1.166 373 K HN 0.339 nan 8.250 nan 0.000 0.430 374 F N 2.750 122.998 119.950 0.495 0.000 2.120 374 F HA -0.255 4.272 4.527 0.001 0.000 0.300 374 F C 1.284 177.312 175.800 0.380 0.000 1.095 374 F CA 1.993 60.260 58.000 0.444 0.000 1.249 374 F CB 0.407 39.435 39.000 0.047 0.000 0.995 374 F HN 0.585 nan 8.300 nan 0.000 0.480 375 D N -0.257 120.378 120.400 0.393 0.000 2.312 375 D HA -0.119 4.522 4.640 0.001 0.000 0.211 375 D C 2.026 178.422 176.300 0.160 0.000 0.964 375 D CA 0.914 55.073 54.000 0.266 0.000 0.877 375 D CB -0.145 40.798 40.800 0.239 0.000 0.924 375 D HN 0.398 nan 8.370 nan 0.000 0.515 376 E N 0.193 120.486 120.200 0.155 0.000 2.042 376 E HA -0.044 4.306 4.350 0.001 0.000 0.189 376 E C 2.051 178.682 176.600 0.053 0.000 0.974 376 E CA 0.397 56.853 56.400 0.094 0.000 0.806 376 E CB -0.203 29.548 29.700 0.084 0.000 0.769 376 E HN -0.069 nan 8.360 nan 0.000 0.451 377 V N 0.294 120.247 119.914 0.064 0.000 2.287 377 V HA -0.225 3.896 4.120 0.001 0.000 0.248 377 V C 1.499 177.451 176.094 -0.237 0.000 1.053 377 V CA 1.777 64.028 62.300 -0.083 0.000 1.027 377 V CB -0.527 31.264 31.823 -0.052 0.000 0.646 377 V HN 0.255 nan 8.190 nan 0.000 0.447 378 F N -0.414 119.419 119.950 -0.195 0.000 2.645 378 F HA 0.307 4.835 4.527 0.001 0.000 0.300 378 F C 1.194 176.922 175.800 -0.119 0.000 1.115 378 F CA -0.348 57.517 58.000 -0.225 0.000 1.355 378 F CB -0.353 38.290 39.000 -0.595 0.000 1.026 378 F HN -0.064 nan 8.300 nan 0.000 0.536 379 R N 2.297 122.826 120.500 0.047 0.000 2.522 379 R HA -0.028 4.313 4.340 0.001 0.000 0.284 379 R C 0.535 176.842 176.300 0.011 0.000 1.032 379 R CA -0.055 56.071 56.100 0.044 0.000 1.049 379 R CB 0.281 30.602 30.300 0.035 0.000 0.956 379 R HN 0.282 nan 8.270 nan 0.000 0.422 380 E N 2.781 122.994 120.200 0.022 0.000 2.465 380 E HA -0.055 4.295 4.350 0.001 0.000 0.260 380 E C -0.702 175.887 176.600 -0.020 0.000 0.980 380 E CA 0.075 56.472 56.400 -0.005 0.000 0.927 380 E CB 0.634 30.339 29.700 0.008 0.000 0.934 380 E HN 0.560 nan 8.360 nan 0.000 0.459 381 S N 4.043 119.717 115.700 -0.043 0.000 2.558 381 S HA -0.095 4.376 4.470 0.001 0.000 0.293 381 S C 0.263 174.847 174.600 -0.027 0.000 1.292 381 S CA 0.495 58.674 58.200 -0.035 0.000 1.063 381 S CB 0.302 63.474 63.200 -0.046 0.000 0.831 381 S HN 0.846 nan 8.310 nan 0.000 0.499 382 D N 0.320 120.710 120.400 -0.017 0.000 2.981 382 D HA -0.149 4.492 4.640 0.001 0.000 0.223 382 D C 0.241 176.535 176.300 -0.011 0.000 1.151 382 D CA 1.552 55.542 54.000 -0.017 0.000 0.827 382 D CB -1.387 39.395 40.800 -0.030 0.000 1.101 382 D HN 0.758 nan 8.370 nan 0.000 0.426 383 T N -3.915 110.637 114.554 -0.003 0.000 2.949 383 T HA 0.764 5.114 4.350 0.001 0.000 0.287 383 T C 0.162 174.868 174.700 0.010 0.000 1.034 383 T CA -0.762 61.340 62.100 0.004 0.000 1.018 383 T CB 2.399 71.273 68.868 0.010 0.000 1.135 383 T HN -0.069 nan 8.240 nan 0.000 0.532 384 V N 2.344 122.265 119.914 0.013 0.000 2.628 384 V HA 0.502 4.622 4.120 0.001 0.000 0.306 384 V C -1.660 174.448 176.094 0.024 0.000 1.045 384 V CA -1.398 60.912 62.300 0.016 0.000 0.905 384 V CB 0.845 32.676 31.823 0.013 0.000 0.997 384 V HN 0.974 nan 8.190 nan 0.000 0.436 385 P HA 0.000 nan 4.420 nan 0.000 0.216 385 P CA 0.000 63.121 63.100 0.035 0.000 0.800 385 P CB 0.000 31.722 31.700 0.037 0.000 0.726