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 1k0c_1_B DATA FIRST_RESID 100 DATA SEQUENCE SRITKFFQEQ PLEGYTLFSH RSAPNGFKVA IVLSELGFHY NTIFLDFNLG DATA SEQUENCE EHRAPEFVSV NPNARVPALI DHGMDNLSIW ESGAILLHLV NKYYKETGNP DATA SEQUENCE LLWSDDLADQ SQINAWLFFQ TSGHAPMIGQ ALHFRYFHSQ KIASAVERYT DATA SEQUENCE DEVRRVYGVV EMALAERREA LVMXXXXXXX XXXXXXXXXX XXXXXXDYPV DATA SEQUENCE WLVGDKLTIA DLAFVPWNNV VDRIGINIKI EFPEVYKWTK HMMRRPAVIK DATA SEQUENCE ALRG 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 100 S HA 0.000 nan 4.470 nan 0.000 0.327 100 S C 0.000 174.658 174.600 0.097 0.000 1.055 100 S CA 0.000 58.238 58.200 0.063 0.000 1.107 100 S CB 0.000 63.228 63.200 0.046 0.000 0.593 101 R N 1.789 122.341 120.500 0.087 0.000 2.113 101 R HA -0.095 4.245 4.340 -0.000 0.000 0.244 101 R C 1.733 178.146 176.300 0.190 0.000 1.142 101 R CA 2.291 58.455 56.100 0.106 0.000 0.953 101 R CB -0.555 29.785 30.300 0.066 0.000 0.860 101 R HN 0.521 nan 8.270 nan 0.000 0.438 102 I N 0.930 121.629 120.570 0.215 0.000 2.315 102 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 102 I C 2.181 178.594 176.117 0.494 0.000 1.117 102 I CA 1.267 62.803 61.300 0.392 0.000 1.404 102 I CB -1.603 36.575 38.000 0.297 0.000 1.071 102 I HN 0.230 nan 8.210 nan 0.000 0.419 103 T N 1.158 115.879 114.554 0.278 0.000 2.595 103 T HA -0.245 4.104 4.350 -0.000 0.000 0.264 103 T C 1.998 176.853 174.700 0.259 0.000 1.058 103 T CA 1.700 63.936 62.100 0.226 0.000 1.166 103 T CB -0.264 68.673 68.868 0.115 0.000 0.863 103 T HN 0.244 nan 8.240 nan 0.000 0.415 104 K N -0.056 120.463 120.400 0.198 0.000 2.127 104 K HA -0.170 4.149 4.320 -0.000 0.000 0.208 104 K C 2.088 178.797 176.600 0.181 0.000 1.047 104 K CA 1.463 57.843 56.287 0.155 0.000 0.927 104 K CB -0.352 32.221 32.500 0.121 0.000 0.716 104 K HN 0.290 nan 8.250 nan 0.000 0.450 105 F N 0.472 120.495 119.950 0.121 0.000 2.134 105 F HA -0.156 4.372 4.527 0.000 0.000 0.299 105 F C 1.413 177.206 175.800 -0.012 0.000 1.097 105 F CA 1.400 59.421 58.000 0.035 0.000 1.264 105 F CB -0.366 38.647 39.000 0.023 0.000 1.001 105 F HN -0.048 nan 8.300 nan 0.000 0.479 106 F N 0.333 120.240 119.950 -0.072 0.000 2.802 106 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 106 F C 2.046 177.762 175.800 -0.140 0.000 1.168 106 F CA 0.419 58.321 58.000 -0.164 0.000 1.433 106 F CB -0.368 38.645 39.000 0.020 0.000 1.115 106 F HN 0.067 nan 8.300 nan 0.000 0.582 107 Q N 0.168 119.982 119.800 0.022 0.000 2.302 107 Q HA 0.066 4.406 4.340 -0.000 0.000 0.202 107 Q C 0.016 175.972 176.000 -0.073 0.000 0.936 107 Q CA 0.728 56.532 55.803 0.002 0.000 0.886 107 Q CB 0.119 28.876 28.738 0.031 0.000 0.986 107 Q HN 0.443 nan 8.270 nan 0.000 0.487 108 E N 1.103 121.209 120.200 -0.157 0.000 3.117 108 E HA 0.232 4.582 4.350 -0.000 0.000 0.262 108 E C -0.876 175.517 176.600 -0.346 0.000 1.202 108 E CA -0.097 56.194 56.400 -0.182 0.000 0.853 108 E CB 0.967 30.608 29.700 -0.099 0.000 1.426 108 E HN 0.111 nan 8.360 nan 0.000 0.387 109 Q N 1.758 121.299 119.800 -0.432 0.000 2.235 109 Q HA 0.342 4.682 4.340 -0.000 0.000 0.250 109 Q C -2.248 173.442 176.000 -0.517 0.000 0.909 109 Q CA -2.053 53.371 55.803 -0.631 0.000 0.910 109 Q CB 0.814 29.221 28.738 -0.552 0.000 1.223 109 Q HN 0.154 nan 8.270 nan 0.000 0.432 110 P HA -0.031 nan 4.420 nan 0.000 0.266 110 P C -0.017 177.016 177.300 -0.444 0.000 1.195 110 P CA 0.246 63.042 63.100 -0.507 0.000 0.768 110 P CB 0.564 31.969 31.700 -0.491 0.000 0.838 111 L N 0.971 122.067 121.223 -0.212 0.000 2.554 111 L HA 0.046 4.386 4.340 -0.000 0.000 0.226 111 L C 1.111 177.943 176.870 -0.064 0.000 1.137 111 L CA 0.796 55.568 54.840 -0.113 0.000 0.863 111 L CB -0.455 41.557 42.059 -0.078 0.000 0.985 111 L HN 0.566 nan 8.230 nan 0.000 0.451 112 E N -1.978 118.177 120.200 -0.075 0.000 2.458 112 E HA 0.687 5.037 4.350 -0.000 0.000 0.278 112 E C -0.056 176.530 176.600 -0.024 0.000 1.004 112 E CA -0.492 55.883 56.400 -0.042 0.000 0.823 112 E CB 1.389 31.076 29.700 -0.022 0.000 1.396 112 E HN -0.068 nan 8.360 nan 0.000 0.463 113 G N -0.589 108.158 108.800 -0.087 0.000 2.615 113 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 113 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 113 G C -1.476 173.245 174.900 -0.299 0.000 1.339 113 G CA -0.232 44.866 45.100 -0.004 0.000 0.884 113 G HN 0.565 nan 8.290 nan 0.000 0.559 114 Y N -0.892 119.549 120.300 0.235 0.000 2.544 114 Y HA 0.674 5.224 4.550 -0.001 0.000 0.342 114 Y C 0.386 176.388 175.900 0.170 0.000 1.062 114 Y CA -0.422 57.750 58.100 0.120 0.000 1.023 114 Y CB 2.429 40.905 38.460 0.026 0.000 1.308 114 Y HN 0.649 nan 8.280 nan 0.000 0.457 115 T N 3.541 118.206 114.554 0.186 0.000 2.812 115 T HA 0.489 4.839 4.350 -0.000 0.000 0.282 115 T C -1.514 173.140 174.700 -0.077 0.000 0.990 115 T CA -0.486 61.645 62.100 0.053 0.000 0.960 115 T CB 1.010 69.929 68.868 0.086 0.000 0.948 115 T HN 0.434 nan 8.240 nan 0.000 0.438 116 L N 4.476 125.602 121.223 -0.161 0.000 2.294 116 L HA 0.619 4.959 4.340 -0.000 0.000 0.283 116 L C -1.381 175.320 176.870 -0.281 0.000 1.015 116 L CA -0.536 54.207 54.840 -0.161 0.000 0.831 116 L CB -0.040 41.902 42.059 -0.195 0.000 1.217 116 L HN 0.506 nan 8.230 nan 0.000 0.420 117 F N 4.160 124.110 119.950 -0.001 0.000 2.420 117 F HA 0.593 5.120 4.527 0.000 0.000 0.352 117 F C 0.956 176.762 175.800 0.009 0.000 1.108 117 F CA 0.520 58.536 58.000 0.026 0.000 1.162 117 F CB 1.451 40.635 39.000 0.307 0.000 1.118 117 F HN 0.651 nan 8.300 nan 0.000 0.510 118 S N 1.795 117.528 115.700 0.056 0.000 3.121 118 S HA 0.513 4.983 4.470 -0.000 0.000 0.324 118 S C -1.898 172.887 174.600 0.310 0.000 1.192 118 S CA -0.505 57.752 58.200 0.094 0.000 0.937 118 S CB 1.410 64.507 63.200 -0.172 0.000 1.336 118 S HN 0.720 nan 8.310 nan 0.000 0.664 119 H N 0.435 119.697 119.070 0.321 0.000 3.038 119 H HA 0.428 4.984 4.556 0.000 0.000 0.362 119 H C 0.018 175.627 175.328 0.469 0.000 1.167 119 H CA -0.381 55.941 56.048 0.458 0.000 1.197 119 H CB 1.470 31.420 29.762 0.313 0.000 1.840 119 H HN 0.682 nan 8.280 nan 0.000 0.540 120 R N 1.444 122.000 120.500 0.092 0.000 2.341 120 R HA -0.014 4.325 4.340 -0.000 0.000 0.213 120 R C 0.804 177.343 176.300 0.397 0.000 1.082 120 R CA 1.299 57.493 56.100 0.157 0.000 1.017 120 R CB 0.347 30.450 30.300 -0.328 0.000 0.860 120 R HN 0.279 nan 8.270 nan 0.000 0.473 121 S N -0.142 115.924 115.700 0.611 0.000 2.512 121 S HA 0.193 4.663 4.470 -0.000 0.000 0.216 121 S C 0.475 175.168 174.600 0.154 0.000 1.006 121 S CA -0.309 58.071 58.200 0.300 0.000 0.915 121 S CB 1.102 64.413 63.200 0.185 0.000 0.824 121 S HN 0.295 nan 8.310 nan 0.000 0.497 122 A N 3.086 126.071 122.820 0.275 0.000 2.410 122 A HA 0.474 4.794 4.320 -0.000 0.000 0.292 122 A C -1.693 175.978 177.584 0.145 0.000 1.232 122 A CA -1.324 50.789 52.037 0.127 0.000 0.893 122 A CB 0.151 19.251 19.000 0.167 0.000 1.131 122 A HN 0.083 nan 8.150 nan 0.000 0.530 123 P HA -0.116 nan 4.420 nan 0.000 0.218 123 P C 1.089 178.306 177.300 -0.137 0.000 1.149 123 P CA 0.948 63.773 63.100 -0.457 0.000 0.817 123 P CB 0.200 30.907 31.700 -1.656 0.000 0.785 124 N N -0.515 118.223 118.700 0.064 0.000 2.289 124 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 124 N C 1.940 177.524 175.510 0.123 0.000 1.016 124 N CA 1.602 54.789 53.050 0.227 0.000 0.872 124 N CB -0.952 37.703 38.487 0.281 0.000 0.973 124 N HN 0.183 nan 8.380 nan 0.000 0.433 125 G N 0.240 109.101 108.800 0.102 0.000 2.414 125 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 125 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 125 G C 1.243 176.075 174.900 -0.114 0.000 1.188 125 G CA 0.174 45.265 45.100 -0.015 0.000 0.783 125 G HN 0.191 nan 8.290 nan 0.000 0.537 126 F N 1.216 121.165 119.950 -0.002 0.000 2.269 126 F HA 0.049 4.575 4.527 -0.001 0.000 0.301 126 F C 2.555 178.333 175.800 -0.036 0.000 1.082 126 F CA 1.375 59.368 58.000 -0.013 0.000 1.360 126 F CB 0.004 38.986 39.000 -0.031 0.000 1.041 126 F HN 0.060 nan 8.300 nan 0.000 0.512 127 K N 0.658 121.130 120.400 0.121 0.000 2.026 127 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 127 K C 2.043 178.641 176.600 -0.004 0.000 1.048 127 K CA 1.687 58.017 56.287 0.072 0.000 0.929 127 K CB -0.411 32.157 32.500 0.114 0.000 0.713 127 K HN 0.150 nan 8.250 nan 0.000 0.439 128 V N 1.359 121.247 119.914 -0.044 0.000 2.427 128 V HA -0.211 3.908 4.120 -0.000 0.000 0.248 128 V C 2.500 178.469 176.094 -0.209 0.000 1.051 128 V CA 1.799 64.025 62.300 -0.123 0.000 1.048 128 V CB -0.664 31.079 31.823 -0.133 0.000 0.666 128 V HN 0.450 nan 8.190 nan 0.000 0.456 129 A N 0.104 122.796 122.820 -0.212 0.000 1.908 129 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 129 A C 2.191 179.707 177.584 -0.114 0.000 1.181 129 A CA 1.983 53.870 52.037 -0.250 0.000 0.627 129 A CB -0.536 18.388 19.000 -0.127 0.000 0.818 129 A HN 0.493 nan 8.150 nan 0.000 0.445 130 I N -0.483 120.063 120.570 -0.040 0.000 2.099 130 I HA -0.261 3.909 4.170 -0.000 0.000 0.239 130 I C 2.412 178.484 176.117 -0.075 0.000 1.066 130 I CA 1.578 62.864 61.300 -0.023 0.000 1.324 130 I CB -0.494 37.502 38.000 -0.005 0.000 1.037 130 I HN 0.177 nan 8.210 nan 0.000 0.401 131 V N 0.518 120.371 119.914 -0.100 0.000 2.287 131 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 131 V C 2.434 178.446 176.094 -0.136 0.000 1.053 131 V CA 1.528 63.753 62.300 -0.126 0.000 1.027 131 V CB -0.619 31.133 31.823 -0.118 0.000 0.646 131 V HN 0.305 nan 8.190 nan 0.000 0.447 132 L N 0.129 121.260 121.223 -0.154 0.000 2.013 132 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 132 L C 2.716 179.559 176.870 -0.045 0.000 1.073 132 L CA 2.393 57.149 54.840 -0.140 0.000 0.753 132 L CB -1.194 40.555 42.059 -0.517 0.000 0.890 132 L HN 0.401 nan 8.230 nan 0.000 0.432 133 S N -1.450 114.241 115.700 -0.015 0.000 2.368 133 S HA -0.139 4.330 4.470 -0.000 0.000 0.224 133 S C 1.859 176.408 174.600 -0.085 0.000 1.029 133 S CA 0.880 59.102 58.200 0.037 0.000 0.988 133 S CB -0.115 63.134 63.200 0.082 0.000 0.838 133 S HN 0.439 nan 8.310 nan 0.000 0.462 134 E N 0.867 120.986 120.200 -0.135 0.000 2.153 134 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 134 E C 1.749 178.153 176.600 -0.326 0.000 0.988 134 E CA 0.732 57.015 56.400 -0.196 0.000 0.811 134 E CB -0.224 29.358 29.700 -0.196 0.000 0.746 134 E HN 0.531 nan 8.360 nan 0.000 0.466 135 L N -0.419 120.543 121.223 -0.435 0.000 2.591 135 L HA 0.107 4.446 4.340 -0.000 0.000 0.228 135 L C 1.313 177.747 176.870 -0.727 0.000 1.133 135 L CA 0.424 54.798 54.840 -0.776 0.000 0.880 135 L CB -0.156 41.315 42.059 -0.979 0.000 1.033 135 L HN 0.190 nan 8.230 nan 0.000 0.450 136 G N 0.120 108.664 108.800 -0.428 0.000 2.148 136 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 136 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 136 G C 0.175 174.850 174.900 -0.375 0.000 0.981 136 G CA -0.340 44.559 45.100 -0.334 0.000 0.670 136 G HN 0.287 nan 8.290 nan 0.000 0.528 137 F N 2.115 121.955 119.950 -0.183 0.000 2.472 137 F HA 0.334 4.860 4.527 -0.001 0.000 0.364 137 F C 1.256 177.041 175.800 -0.024 0.000 1.090 137 F CA -0.987 56.926 58.000 -0.146 0.000 1.188 137 F CB 0.582 39.398 39.000 -0.306 0.000 1.105 137 F HN 0.092 nan 8.300 nan 0.000 0.536 138 H N 4.405 123.747 119.070 0.452 0.000 2.646 138 H HA 0.255 4.810 4.556 -0.001 0.000 0.325 138 H C -0.675 174.891 175.328 0.396 0.000 1.075 138 H CA -0.125 56.098 56.048 0.292 0.000 1.421 138 H CB 0.850 30.722 29.762 0.183 0.000 1.461 138 H HN 0.691 nan 8.280 nan 0.000 0.525 139 Y N 0.055 120.506 120.300 0.251 0.000 2.689 139 Y HA 0.335 4.885 4.550 -0.000 0.000 0.333 139 Y C -1.420 174.516 175.900 0.060 0.000 1.208 139 Y CA -1.158 57.049 58.100 0.179 0.000 1.055 139 Y CB 1.454 39.990 38.460 0.126 0.000 1.304 139 Y HN 0.544 nan 8.280 nan 0.000 0.455 140 N N 0.015 118.746 118.700 0.052 0.000 2.292 140 N HA 0.622 5.362 4.740 -0.000 0.000 0.303 140 N C -1.563 173.910 175.510 -0.063 0.000 1.140 140 N CA -0.582 52.398 53.050 -0.115 0.000 0.788 140 N CB 2.283 40.693 38.487 -0.129 0.000 1.361 140 N HN 0.811 nan 8.380 nan 0.000 0.489 141 T N 2.114 116.545 114.554 -0.204 0.000 2.823 141 T HA 0.463 4.812 4.350 -0.000 0.000 0.279 141 T C -0.056 174.308 174.700 -0.561 0.000 0.998 141 T CA -0.368 61.486 62.100 -0.409 0.000 0.994 141 T CB 0.907 69.429 68.868 -0.576 0.000 0.960 141 T HN 0.332 nan 8.240 nan 0.000 0.448 142 I N 3.464 123.641 120.570 -0.656 0.000 2.405 142 I HA 0.318 4.487 4.170 -0.000 0.000 0.280 142 I C -0.800 175.087 176.117 -0.382 0.000 1.027 142 I CA -0.660 60.329 61.300 -0.518 0.000 1.161 142 I CB 0.630 38.230 38.000 -0.667 0.000 1.300 142 I HN 0.570 nan 8.210 nan 0.000 0.463 143 F N 6.422 126.301 119.950 -0.119 0.000 2.471 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 0.519 176.271 175.800 -0.079 0.000 1.095 143 F CA -0.243 57.706 58.000 -0.085 0.000 1.174 143 F CB 0.431 39.357 39.000 -0.124 0.000 1.105 143 F HN 0.195 nan 8.300 nan 0.000 0.535 144 L N 3.765 125.044 121.223 0.094 0.000 2.349 144 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 144 L C 0.336 177.168 176.870 -0.063 0.000 1.115 144 L CA -0.324 54.451 54.840 -0.108 0.000 0.820 144 L CB 0.594 42.380 42.059 -0.454 0.000 1.135 144 L HN 0.545 nan 8.230 nan 0.000 0.445 145 D N 2.889 123.216 120.400 -0.122 0.000 2.441 145 D HA 0.069 4.708 4.640 -0.000 0.000 0.221 145 D C 0.724 176.941 176.300 -0.138 0.000 1.156 145 D CA -0.281 53.699 54.000 -0.033 0.000 0.896 145 D CB 0.642 41.426 40.800 -0.025 0.000 1.028 145 D HN 0.292 nan 8.370 nan 0.000 0.509 146 F N 2.655 122.529 119.950 -0.126 0.000 2.333 146 F HA -0.127 4.400 4.527 -0.001 0.000 0.300 146 F C 2.232 177.918 175.800 -0.190 0.000 1.083 146 F CA 0.544 58.315 58.000 -0.382 0.000 1.395 146 F CB -0.410 38.316 39.000 -0.457 0.000 1.056 146 F HN 0.363 nan 8.300 nan 0.000 0.529 147 N N 0.782 119.530 118.700 0.080 0.000 2.084 147 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 147 N C 1.429 176.964 175.510 0.042 0.000 1.030 147 N CA 1.263 54.350 53.050 0.063 0.000 0.849 147 N CB -0.304 38.217 38.487 0.057 0.000 1.012 147 N HN 0.095 nan 8.380 nan 0.000 0.423 148 L N 0.222 121.453 121.223 0.014 0.000 2.610 148 L HA 0.267 4.607 4.340 -0.000 0.000 0.232 148 L C 1.384 178.268 176.870 0.022 0.000 1.149 148 L CA 0.928 55.775 54.840 0.010 0.000 0.872 148 L CB -0.904 41.151 42.059 -0.007 0.000 0.992 148 L HN 0.412 nan 8.230 nan 0.000 0.447 149 G N -0.735 108.095 108.800 0.050 0.000 2.225 149 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 149 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 149 G C 1.056 176.040 174.900 0.140 0.000 1.024 149 G CA 0.662 45.877 45.100 0.192 0.000 0.784 149 G HN 0.478 nan 8.290 nan 0.000 0.507 150 E N -0.787 119.388 120.200 -0.042 0.000 2.160 150 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 150 E C 1.900 178.379 176.600 -0.202 0.000 0.991 150 E CA 1.358 57.681 56.400 -0.128 0.000 0.810 150 E CB -0.299 29.281 29.700 -0.199 0.000 0.742 150 E HN 1.045 nan 8.360 nan 0.000 0.466 151 H N -0.538 118.191 119.070 -0.569 0.000 2.563 151 H HA 0.135 4.692 4.556 0.000 0.000 0.272 151 H C 1.587 176.835 175.328 -0.133 0.000 1.005 151 H CA 0.136 55.817 56.048 -0.613 0.000 1.171 151 H CB 0.047 29.397 29.762 -0.686 0.000 1.351 151 H HN -0.049 nan 8.280 nan 0.000 0.602 152 R N 0.680 121.076 120.500 -0.174 0.000 2.362 152 R HA 0.317 4.657 4.340 -0.000 0.000 0.227 152 R C 0.363 176.613 176.300 -0.084 0.000 0.905 152 R CA 0.195 56.179 56.100 -0.193 0.000 1.067 152 R CB 0.833 31.014 30.300 -0.199 0.000 1.078 152 R HN 0.242 nan 8.270 nan 0.000 0.516 153 A N 2.193 124.983 122.820 -0.050 0.000 2.520 153 A HA 0.156 4.475 4.320 -0.000 0.000 0.245 153 A C -1.635 175.907 177.584 -0.070 0.000 1.072 153 A CA -1.061 50.949 52.037 -0.045 0.000 0.761 153 A CB 0.215 19.198 19.000 -0.029 0.000 1.004 153 A HN -0.027 nan 8.150 nan 0.000 0.499 154 P HA -0.198 nan 4.420 nan 0.000 0.216 154 P C 0.883 178.046 177.300 -0.228 0.000 1.154 154 P CA 1.673 64.690 63.100 -0.140 0.000 0.865 154 P CB 0.210 31.841 31.700 -0.114 0.000 0.789 155 E N -1.790 118.230 120.200 -0.300 0.000 2.110 155 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 155 E C 1.719 177.893 176.600 -0.710 0.000 0.988 155 E CA 0.971 56.986 56.400 -0.642 0.000 0.804 155 E CB -1.084 28.092 29.700 -0.873 0.000 0.745 155 E HN 0.272 nan 8.360 nan 0.000 0.458 156 F N 0.111 119.740 119.950 -0.535 0.000 2.234 156 F HA -0.078 4.449 4.527 -0.000 0.000 0.296 156 F C 1.883 177.467 175.800 -0.360 0.000 1.089 156 F CA 0.670 58.400 58.000 -0.451 0.000 1.343 156 F CB -0.041 38.750 39.000 -0.349 0.000 1.040 156 F HN -0.166 nan 8.300 nan 0.000 0.498 157 V N -0.490 119.245 119.914 -0.297 0.000 2.720 157 V HA -0.242 3.878 4.120 -0.000 0.000 0.256 157 V C 2.298 178.147 176.094 -0.409 0.000 1.082 157 V CA 1.861 63.950 62.300 -0.351 0.000 1.101 157 V CB -0.869 30.826 31.823 -0.212 0.000 0.693 157 V HN 0.322 nan 8.190 nan 0.000 0.479 158 S N -0.194 115.280 115.700 -0.376 0.000 2.357 158 S HA -0.129 4.341 4.470 -0.000 0.000 0.221 158 S C 2.024 176.425 174.600 -0.331 0.000 1.031 158 S CA 1.340 59.354 58.200 -0.310 0.000 0.982 158 S CB -0.102 62.934 63.200 -0.273 0.000 0.853 158 S HN 0.390 nan 8.310 nan 0.000 0.458 159 V N 2.129 121.805 119.914 -0.397 0.000 2.237 159 V HA -0.051 4.069 4.120 -0.000 0.000 0.245 159 V C 0.966 176.760 176.094 -0.501 0.000 1.046 159 V CA 1.396 63.498 62.300 -0.331 0.000 1.007 159 V CB -0.519 31.104 31.823 -0.335 0.000 0.638 159 V HN 0.445 nan 8.190 nan 0.000 0.445 160 N N 0.410 118.613 118.700 -0.828 0.000 2.626 160 N HA 0.242 4.982 4.740 -0.000 0.000 0.249 160 N C -1.699 173.297 175.510 -0.856 0.000 1.021 160 N CA -2.311 50.183 53.050 -0.927 0.000 0.886 160 N CB 1.792 39.836 38.487 -0.739 0.000 1.149 160 N HN 0.038 nan 8.380 nan 0.000 0.517 161 P HA -0.159 nan 4.420 nan 0.000 0.221 161 P C 0.500 177.517 177.300 -0.472 0.000 1.145 161 P CA 1.119 63.840 63.100 -0.631 0.000 0.795 161 P CB 0.354 31.675 31.700 -0.631 0.000 0.775 162 N N -0.191 118.199 118.700 -0.516 0.000 2.467 162 N HA 0.042 4.782 4.740 -0.000 0.000 0.184 162 N C 0.417 175.892 175.510 -0.059 0.000 1.106 162 N CA 0.572 53.497 53.050 -0.208 0.000 0.892 162 N CB -0.212 38.233 38.487 -0.071 0.000 0.969 162 N HN -0.132 nan 8.380 nan 0.000 0.454 163 A N 0.634 123.409 122.820 -0.074 0.000 2.745 163 A HA -0.205 4.115 4.320 -0.000 0.000 0.296 163 A C -0.160 177.672 177.584 0.413 0.000 1.500 163 A CA 1.024 53.169 52.037 0.181 0.000 0.766 163 A CB -1.272 17.751 19.000 0.038 0.000 1.030 163 A HN 0.421 nan 8.150 nan 0.000 0.489 164 R N -1.625 119.126 120.500 0.417 0.000 2.922 164 R HA 0.780 5.120 4.340 -0.000 0.000 0.256 164 R C -0.091 176.525 176.300 0.526 0.000 1.138 164 R CA 0.059 56.431 56.100 0.455 0.000 0.995 164 R CB 1.548 32.011 30.300 0.272 0.000 1.226 164 R HN 0.878 nan 8.270 nan 0.000 0.481 165 V N -1.151 119.033 119.914 0.451 0.000 2.960 165 V HA 0.690 4.809 4.120 -0.000 0.000 0.315 165 V C -2.310 173.952 176.094 0.279 0.000 1.087 165 V CA -2.039 60.511 62.300 0.416 0.000 0.982 165 V CB 1.921 34.008 31.823 0.441 0.000 1.039 165 V HN 0.648 nan 8.190 nan 0.000 0.437 166 P HA 0.716 nan 4.420 nan 0.000 0.278 166 P C -0.863 176.594 177.300 0.262 0.000 1.258 166 P CA -0.361 62.880 63.100 0.236 0.000 0.811 166 P CB 1.937 33.712 31.700 0.124 0.000 1.063 167 A N 1.328 124.333 122.820 0.307 0.000 2.455 167 A HA 0.634 4.954 4.320 -0.000 0.000 0.300 167 A C -1.609 176.154 177.584 0.300 0.000 1.040 167 A CA -0.599 51.605 52.037 0.278 0.000 0.697 167 A CB 1.201 20.321 19.000 0.200 0.000 1.265 167 A HN 0.517 nan 8.150 nan 0.000 0.407 168 L N 2.119 123.452 121.223 0.185 0.000 2.354 168 L HA 0.777 5.116 4.340 -0.000 0.000 0.269 168 L C -1.165 175.769 176.870 0.107 0.000 1.005 168 L CA -0.446 54.471 54.840 0.129 0.000 0.819 168 L CB 1.601 43.673 42.059 0.022 0.000 1.311 168 L HN 0.619 nan 8.230 nan 0.000 0.423 169 I N 3.631 124.238 120.570 0.061 0.000 2.382 169 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 169 I C -0.901 175.029 176.117 -0.311 0.000 1.002 169 I CA -0.520 60.710 61.300 -0.116 0.000 1.135 169 I CB 1.583 39.486 38.000 -0.163 0.000 1.288 169 I HN 0.527 nan 8.210 nan 0.000 0.448 170 D N 6.406 126.662 120.400 -0.239 0.000 2.468 170 D HA 0.098 4.738 4.640 -0.000 0.000 0.218 170 D C 1.212 177.309 176.300 -0.338 0.000 1.155 170 D CA -0.072 53.754 54.000 -0.290 0.000 0.924 170 D CB 0.491 41.261 40.800 -0.048 0.000 1.029 170 D HN 0.439 nan 8.370 nan 0.000 0.515 171 H N 2.439 121.352 119.070 -0.262 0.000 2.321 171 H HA -0.101 4.455 4.556 -0.001 0.000 0.300 171 H C 1.882 177.107 175.328 -0.172 0.000 1.087 171 H CA 1.454 57.392 56.048 -0.184 0.000 1.319 171 H CB -0.268 29.388 29.762 -0.177 0.000 1.379 171 H HN 0.542 nan 8.280 nan 0.000 0.501 172 G N 0.165 108.889 108.800 -0.126 0.000 2.537 172 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 172 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 172 G C 1.198 176.066 174.900 -0.053 0.000 1.111 172 G CA 0.376 45.421 45.100 -0.092 0.000 0.748 172 G HN 0.309 nan 8.290 nan 0.000 0.564 173 M N 0.614 120.180 119.600 -0.056 0.000 2.972 173 M HA 0.200 4.680 4.480 -0.000 0.000 0.323 173 M C 0.251 176.546 176.300 -0.008 0.000 1.213 173 M CA -0.213 55.079 55.300 -0.013 0.000 0.935 173 M CB 0.577 33.191 32.600 0.023 0.000 1.289 173 M HN 0.031 nan 8.290 nan 0.000 0.525 174 D N 1.776 122.173 120.400 -0.005 0.000 2.907 174 D HA -0.200 4.440 4.640 -0.000 0.000 0.226 174 D C -0.471 175.837 176.300 0.012 0.000 1.141 174 D CA 0.799 54.802 54.000 0.006 0.000 0.779 174 D CB -0.978 39.826 40.800 0.007 0.000 1.095 174 D HN 0.623 nan 8.370 nan 0.000 0.430 175 N N -1.639 117.066 118.700 0.009 0.000 2.754 175 N HA -0.239 4.500 4.740 -0.000 0.000 0.248 175 N C 0.155 175.649 175.510 -0.027 0.000 1.093 175 N CA 0.869 53.918 53.050 -0.002 0.000 0.699 175 N CB -1.468 37.065 38.487 0.078 0.000 1.016 175 N HN 0.545 nan 8.380 nan 0.000 0.552 176 L N 0.515 121.710 121.223 -0.048 0.000 2.559 176 L HA 0.164 4.504 4.340 -0.000 0.000 0.282 176 L C 0.571 177.405 176.870 -0.060 0.000 1.232 176 L CA 0.478 55.290 54.840 -0.046 0.000 0.885 176 L CB 0.702 42.722 42.059 -0.065 0.000 1.131 176 L HN 0.209 nan 8.230 nan 0.000 0.498 177 S N 5.290 120.983 115.700 -0.010 0.000 2.474 177 S HA 0.698 5.168 4.470 -0.000 0.000 0.321 177 S C -0.601 174.038 174.600 0.065 0.000 1.080 177 S CA -0.682 57.541 58.200 0.038 0.000 1.106 177 S CB 0.123 63.365 63.200 0.071 0.000 0.984 177 S HN 0.472 nan 8.310 nan 0.000 0.464 178 I N 6.895 127.472 120.570 0.012 0.000 2.389 178 I HA 0.557 4.726 4.170 -0.000 0.000 0.288 178 I C -0.093 176.069 176.117 0.075 0.000 0.999 178 I CA -0.568 60.700 61.300 -0.053 0.000 1.129 178 I CB 1.131 38.988 38.000 -0.240 0.000 1.288 178 I HN 0.633 nan 8.210 nan 0.000 0.444 179 W N 4.328 125.580 121.300 -0.081 0.000 2.736 179 W HA 0.740 5.399 4.660 -0.001 0.000 0.355 179 W C -0.613 175.885 176.519 -0.036 0.000 1.102 179 W CA -1.080 56.232 57.345 -0.055 0.000 1.164 179 W CB 0.733 30.142 29.460 -0.085 0.000 1.422 179 W HN 0.466 nan 8.180 nan 0.000 0.572 180 E N 0.464 120.738 120.200 0.124 0.000 7.510 180 E HA -0.184 4.166 4.350 -0.000 0.000 0.317 180 E C 1.090 177.657 176.600 -0.055 0.000 0.733 180 E CA 0.870 57.267 56.400 -0.005 0.000 1.377 180 E CB -0.820 28.759 29.700 -0.201 0.000 0.921 180 E HN 0.650 nan 8.360 nan 0.000 0.263 181 S N 1.665 117.361 115.700 -0.006 0.000 2.387 181 S HA -0.192 4.277 4.470 -0.000 0.000 0.230 181 S C 1.820 176.359 174.600 -0.102 0.000 1.035 181 S CA 1.649 59.834 58.200 -0.025 0.000 1.014 181 S CB -0.189 63.032 63.200 0.035 0.000 0.836 181 S HN 0.672 nan 8.310 nan 0.000 0.466 182 G N 1.411 110.113 108.800 -0.163 0.000 2.408 182 G HA2 0.114 4.074 3.960 -0.000 0.000 0.217 182 G HA3 0.114 4.074 3.960 -0.000 0.000 0.217 182 G C 1.657 176.407 174.900 -0.249 0.000 1.150 182 G CA 0.805 45.750 45.100 -0.259 0.000 0.776 182 G HN 0.791 nan 8.290 nan 0.000 0.542 183 A N 0.797 123.476 122.820 -0.235 0.000 1.898 183 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 183 A C 2.386 179.877 177.584 -0.156 0.000 1.181 183 A CA 1.180 53.085 52.037 -0.219 0.000 0.620 183 A CB -0.354 18.458 19.000 -0.315 0.000 0.819 183 A HN 0.357 nan 8.150 nan 0.000 0.442 184 I N 0.001 120.487 120.570 -0.140 0.000 2.208 184 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 184 I C 2.376 178.442 176.117 -0.084 0.000 1.097 184 I CA 1.120 62.365 61.300 -0.092 0.000 1.363 184 I CB -0.344 37.608 38.000 -0.080 0.000 1.051 184 I HN 0.311 nan 8.210 nan 0.000 0.413 185 L N 0.155 121.302 121.223 -0.126 0.000 2.012 185 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 185 L C 2.585 179.322 176.870 -0.223 0.000 1.073 185 L CA 1.589 56.336 54.840 -0.156 0.000 0.748 185 L CB -0.711 41.253 42.059 -0.158 0.000 0.891 185 L HN 0.324 nan 8.230 nan 0.000 0.431 186 L N -1.139 119.940 121.223 -0.239 0.000 2.046 186 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 186 L C 2.758 179.491 176.870 -0.227 0.000 1.077 186 L CA 1.251 55.895 54.840 -0.328 0.000 0.747 186 L CB -0.953 40.976 42.059 -0.217 0.000 0.896 186 L HN 0.417 nan 8.230 nan 0.000 0.432 187 H N 0.813 119.772 119.070 -0.185 0.000 2.352 187 H HA -0.163 4.393 4.556 -0.001 0.000 0.299 187 H C 2.273 177.542 175.328 -0.098 0.000 1.097 187 H CA 1.705 57.682 56.048 -0.118 0.000 1.311 187 H CB 0.155 29.858 29.762 -0.098 0.000 1.377 187 H HN 0.267 nan 8.280 nan 0.000 0.504 188 L N 0.597 121.772 121.223 -0.080 0.000 1.961 188 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 188 L C 3.099 179.969 176.870 -0.001 0.000 1.072 188 L CA 1.495 56.316 54.840 -0.031 0.000 0.749 188 L CB -0.696 41.369 42.059 0.010 0.000 0.889 188 L HN 0.220 nan 8.230 nan 0.000 0.432 189 V N -2.666 117.136 119.914 -0.188 0.000 2.568 189 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 189 V C 2.074 178.073 176.094 -0.158 0.000 1.072 189 V CA 1.981 64.133 62.300 -0.245 0.000 1.084 189 V CB -0.867 30.578 31.823 -0.630 0.000 0.676 189 V HN 0.459 nan 8.190 nan 0.000 0.469 190 N N 0.912 119.473 118.700 -0.232 0.000 2.171 190 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 190 N C 1.933 177.491 175.510 0.079 0.000 1.021 190 N CA 1.877 54.927 53.050 0.001 0.000 0.854 190 N CB -0.196 38.262 38.487 -0.049 0.000 0.994 190 N HN 0.613 nan 8.380 nan 0.000 0.426 191 K N 0.091 120.468 120.400 -0.038 0.000 2.097 191 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 191 K C 1.981 178.685 176.600 0.173 0.000 1.050 191 K CA 0.856 57.138 56.287 -0.008 0.000 0.938 191 K CB -0.133 32.272 32.500 -0.158 0.000 0.718 191 K HN 0.139 nan 8.250 nan 0.000 0.442 192 Y N -0.255 120.164 120.300 0.198 0.000 2.314 192 Y HA -0.239 4.311 4.550 -0.000 0.000 0.293 192 Y C 1.971 177.970 175.900 0.166 0.000 1.129 192 Y CA 1.453 59.664 58.100 0.185 0.000 1.201 192 Y CB -0.118 38.376 38.460 0.057 0.000 0.999 192 Y HN 0.173 nan 8.280 nan 0.000 0.541 193 Y N 1.788 122.182 120.300 0.156 0.000 2.243 193 Y HA -0.102 4.448 4.550 -0.001 0.000 0.293 193 Y C 2.244 178.162 175.900 0.029 0.000 1.124 193 Y CA 2.045 60.222 58.100 0.129 0.000 1.159 193 Y CB -0.471 38.157 38.460 0.280 0.000 1.008 193 Y HN 0.218 nan 8.280 nan 0.000 0.527 194 K N -0.310 119.991 120.400 -0.164 0.000 2.211 194 K HA -0.108 4.212 4.320 -0.000 0.000 0.203 194 K C 1.622 178.093 176.600 -0.216 0.000 1.050 194 K CA 1.878 58.007 56.287 -0.263 0.000 0.945 194 K CB -0.313 32.129 32.500 -0.096 0.000 0.732 194 K HN 0.368 nan 8.250 nan 0.000 0.451 195 E N 0.571 120.668 120.200 -0.172 0.000 2.122 195 E HA -0.086 4.263 4.350 -0.000 0.000 0.190 195 E C 1.802 178.270 176.600 -0.220 0.000 0.977 195 E CA 1.633 57.936 56.400 -0.161 0.000 0.820 195 E CB 0.236 29.872 29.700 -0.107 0.000 0.770 195 E HN 0.624 nan 8.360 nan 0.000 0.462 196 T N -3.914 110.445 114.554 -0.324 0.000 2.990 196 T HA 0.275 4.625 4.350 -0.000 0.000 0.249 196 T C 1.557 176.156 174.700 -0.169 0.000 1.039 196 T CA 0.590 62.523 62.100 -0.280 0.000 1.036 196 T CB 0.922 69.518 68.868 -0.453 0.000 0.994 196 T HN 0.244 nan 8.240 nan 0.000 0.489 197 G N 1.563 110.240 108.800 -0.204 0.000 2.176 197 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 197 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 197 G C -0.123 174.879 174.900 0.170 0.000 0.979 197 G CA 0.060 45.076 45.100 -0.140 0.000 0.641 197 G HN 0.863 nan 8.290 nan 0.000 0.530 198 N N 0.721 119.569 118.700 0.248 0.000 2.443 198 N HA 0.546 5.285 4.740 -0.000 0.000 0.269 198 N C -2.283 173.527 175.510 0.500 0.000 0.985 198 N CA -2.335 50.915 53.050 0.332 0.000 0.921 198 N CB 2.190 40.819 38.487 0.237 0.000 1.195 198 N HN 0.007 nan 8.380 nan 0.000 0.492 199 P HA 0.077 nan 4.420 nan 0.000 0.225 199 P C -0.019 177.395 177.300 0.191 0.000 1.768 199 P CA -0.138 63.066 63.100 0.173 0.000 0.943 199 P CB -0.139 31.390 31.700 -0.285 0.000 1.936 200 L N 2.352 123.708 121.223 0.223 0.000 2.601 200 L HA -0.059 4.281 4.340 -0.000 0.000 0.277 200 L C 1.357 178.209 176.870 -0.030 0.000 1.219 200 L CA 0.379 55.222 54.840 0.005 0.000 0.915 200 L CB -0.178 41.739 42.059 -0.237 0.000 1.160 200 L HN 0.281 nan 8.230 nan 0.000 0.494 201 L N 3.600 124.789 121.223 -0.057 0.000 4.625 201 L HA -0.315 4.025 4.340 -0.000 0.000 0.428 201 L C 0.316 177.275 176.870 0.148 0.000 1.129 201 L CA 0.873 55.687 54.840 -0.044 0.000 0.978 201 L CB -1.894 40.092 42.059 -0.121 0.000 2.043 201 L HN 0.772 nan 8.230 nan 0.000 0.847 202 W N -0.951 120.290 121.300 -0.099 0.000 4.144 202 W HA 0.619 5.279 4.660 -0.001 0.000 0.424 202 W C -0.292 176.166 176.519 -0.103 0.000 1.350 202 W CA 0.140 57.437 57.345 -0.081 0.000 0.963 202 W CB 1.679 31.094 29.460 -0.074 0.000 2.002 202 W HN -0.180 nan 8.180 nan 0.000 0.639 203 S N -0.056 115.288 115.700 -0.594 0.000 2.552 203 S HA 0.134 4.604 4.470 -0.000 0.000 0.272 203 S C -0.867 173.222 174.600 -0.852 0.000 1.150 203 S CA -0.059 57.772 58.200 -0.615 0.000 0.849 203 S CB 1.246 64.129 63.200 -0.529 0.000 1.113 203 S HN 0.485 nan 8.310 nan 0.000 0.458 204 D N 0.939 121.007 120.400 -0.554 0.000 2.395 204 D HA 0.219 4.859 4.640 -0.000 0.000 0.213 204 D C -0.082 176.049 176.300 -0.283 0.000 1.110 204 D CA -0.164 53.540 54.000 -0.494 0.000 0.835 204 D CB 0.236 40.839 40.800 -0.329 0.000 0.965 204 D HN 0.372 nan 8.370 nan 0.000 0.505 205 D N -0.166 120.058 120.400 -0.294 0.000 2.217 205 D HA 0.120 4.759 4.640 -0.000 0.000 0.243 205 D C 0.921 177.091 176.300 -0.217 0.000 1.054 205 D CA -0.806 53.079 54.000 -0.191 0.000 0.838 205 D CB 1.415 42.128 40.800 -0.145 0.000 1.162 205 D HN -0.078 nan 8.370 nan 0.000 0.472 206 L N 4.681 125.820 121.223 -0.140 0.000 2.042 206 L HA -0.019 4.320 4.340 -0.000 0.000 0.210 206 L C 2.025 178.832 176.870 -0.105 0.000 1.076 206 L CA 2.444 57.215 54.840 -0.115 0.000 0.749 206 L CB -0.951 41.074 42.059 -0.056 0.000 0.893 206 L HN 0.665 nan 8.230 nan 0.000 0.432 207 A N -0.983 121.788 122.820 -0.082 0.000 1.902 207 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 207 A C 2.019 179.565 177.584 -0.063 0.000 1.181 207 A CA 1.925 53.929 52.037 -0.056 0.000 0.623 207 A CB -0.840 18.136 19.000 -0.039 0.000 0.818 207 A HN 0.516 nan 8.150 nan 0.000 0.443 208 D N -0.490 119.847 120.400 -0.105 0.000 2.144 208 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 208 D C 2.210 178.422 176.300 -0.147 0.000 0.984 208 D CA 1.358 55.293 54.000 -0.107 0.000 0.834 208 D CB -0.370 40.338 40.800 -0.153 0.000 0.955 208 D HN 0.632 nan 8.370 nan 0.000 0.465 209 Q N 0.176 119.802 119.800 -0.290 0.000 2.119 209 Q HA -0.108 4.231 4.340 -0.000 0.000 0.201 209 Q C 2.262 178.252 176.000 -0.016 0.000 0.972 209 Q CA 1.551 57.134 55.803 -0.366 0.000 0.847 209 Q CB -0.090 28.335 28.738 -0.522 0.000 0.903 209 Q HN 0.298 nan 8.270 nan 0.000 0.433 210 S N 0.294 115.989 115.700 -0.009 0.000 2.399 210 S HA -0.171 4.298 4.470 -0.000 0.000 0.231 210 S C 1.888 176.532 174.600 0.074 0.000 1.022 210 S CA 0.754 58.981 58.200 0.045 0.000 0.983 210 S CB -0.080 63.124 63.200 0.007 0.000 0.803 210 S HN 0.227 nan 8.310 nan 0.000 0.480 211 Q N 1.187 121.033 119.800 0.077 0.000 2.049 211 Q HA 0.165 4.505 4.340 -0.000 0.000 0.198 211 Q C 2.373 178.548 176.000 0.292 0.000 0.971 211 Q CA 1.241 57.131 55.803 0.146 0.000 0.833 211 Q CB -0.573 28.263 28.738 0.164 0.000 0.896 211 Q HN 0.637 nan 8.270 nan 0.000 0.434 212 I N 1.143 121.883 120.570 0.284 0.000 2.163 212 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 212 I C 1.822 178.188 176.117 0.414 0.000 1.085 212 I CA 1.238 62.777 61.300 0.399 0.000 1.347 212 I CB -0.408 37.840 38.000 0.414 0.000 1.044 212 I HN 0.286 nan 8.210 nan 0.000 0.408 213 N N 0.706 119.630 118.700 0.372 0.000 2.149 213 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 213 N C 1.981 177.717 175.510 0.376 0.000 1.019 213 N CA 1.133 54.414 53.050 0.385 0.000 0.857 213 N CB -0.210 38.516 38.487 0.397 0.000 0.997 213 N HN 0.363 nan 8.380 nan 0.000 0.426 214 A N 0.908 123.858 122.820 0.217 0.000 1.873 214 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 214 A C 1.743 179.380 177.584 0.087 0.000 1.193 214 A CA 1.415 53.479 52.037 0.046 0.000 0.629 214 A CB -1.217 17.661 19.000 -0.204 0.000 0.826 214 A HN 0.471 nan 8.150 nan 0.000 0.447 215 W N -0.880 120.587 121.300 0.277 0.000 2.374 215 W HA -0.043 4.618 4.660 0.000 0.000 0.288 215 W C 2.018 178.731 176.519 0.324 0.000 1.218 215 W CA 0.791 58.368 57.345 0.386 0.000 1.245 215 W CB -0.336 29.355 29.460 0.385 0.000 1.126 215 W HN 0.382 nan 8.180 nan 0.000 0.545 216 L N -0.883 120.577 121.223 0.394 0.000 2.005 216 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 216 L C 2.058 178.925 176.870 -0.004 0.000 1.072 216 L CA 1.861 56.776 54.840 0.125 0.000 0.744 216 L CB -1.252 40.835 42.059 0.047 0.000 0.895 216 L HN -0.063 nan 8.230 nan 0.000 0.433 217 F N -1.522 118.484 119.950 0.093 0.000 2.171 217 F HA -0.231 4.296 4.527 0.000 0.000 0.300 217 F C 2.284 178.140 175.800 0.093 0.000 1.090 217 F CA 1.663 59.697 58.000 0.056 0.000 1.293 217 F CB -0.537 38.492 39.000 0.048 0.000 1.013 217 F HN 0.178 nan 8.300 nan 0.000 0.486 218 F N 0.916 120.951 119.950 0.142 0.000 2.171 218 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 218 F C 2.530 178.346 175.800 0.026 0.000 1.090 218 F CA 1.590 59.640 58.000 0.083 0.000 1.293 218 F CB -0.780 38.266 39.000 0.077 0.000 1.013 218 F HN -0.056 nan 8.300 nan 0.000 0.486 219 Q N 0.303 119.974 119.800 -0.215 0.000 2.046 219 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 219 Q C 2.287 177.997 176.000 -0.482 0.000 0.975 219 Q CA 2.678 58.078 55.803 -0.672 0.000 0.836 219 Q CB -0.663 27.455 28.738 -1.034 0.000 0.896 219 Q HN 0.569 nan 8.270 nan 0.000 0.428 220 T N -2.300 112.067 114.554 -0.311 0.000 2.951 220 T HA 0.042 4.391 4.350 -0.000 0.000 0.268 220 T C 1.964 176.576 174.700 -0.148 0.000 1.073 220 T CA 1.382 63.336 62.100 -0.242 0.000 1.134 220 T CB -0.045 68.692 68.868 -0.218 0.000 0.884 220 T HN 0.091 nan 8.240 nan 0.000 0.479 221 S N 0.723 116.388 115.700 -0.058 0.000 2.468 221 S HA 0.336 4.805 4.470 -0.000 0.000 0.226 221 S C 2.176 176.768 174.600 -0.014 0.000 1.051 221 S CA 0.401 58.613 58.200 0.019 0.000 0.943 221 S CB -0.179 63.106 63.200 0.143 0.000 0.810 221 S HN 0.698 nan 8.310 nan 0.000 0.509 222 G N -0.273 108.485 108.800 -0.069 0.000 2.848 222 G HA2 0.080 4.040 3.960 -0.000 0.000 0.213 222 G HA3 0.080 4.040 3.960 -0.000 0.000 0.213 222 G C 0.968 175.734 174.900 -0.223 0.000 1.101 222 G CA -0.112 44.941 45.100 -0.079 0.000 0.778 222 G HN 0.451 nan 8.290 nan 0.000 0.536 223 H N 0.811 119.565 119.070 -0.526 0.000 2.273 223 H HA 0.195 4.751 4.556 -0.001 0.000 0.317 223 H C 2.817 177.830 175.328 -0.524 0.000 1.062 223 H CA 1.104 56.828 56.048 -0.540 0.000 1.419 223 H CB 0.008 29.347 29.762 -0.705 0.000 1.442 223 H HN 0.184 nan 8.280 nan 0.000 0.542 224 A N 1.708 124.117 122.820 -0.684 0.000 1.859 224 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 224 A C -0.174 177.119 177.584 -0.485 0.000 1.198 224 A CA 2.128 53.539 52.037 -1.044 0.000 0.629 224 A CB -1.671 16.672 19.000 -1.095 0.000 0.830 224 A HN 0.433 nan 8.150 nan 0.000 0.446 225 P HA -0.184 nan 4.420 nan 0.000 0.216 225 P C 1.678 178.929 177.300 -0.081 0.000 1.153 225 P CA 1.460 64.488 63.100 -0.120 0.000 0.858 225 P CB -0.154 31.507 31.700 -0.065 0.000 0.789 226 M N -1.599 117.963 119.600 -0.062 0.000 2.132 226 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 226 M C 2.244 178.577 176.300 0.054 0.000 1.065 226 M CA 1.617 56.952 55.300 0.058 0.000 1.122 226 M CB -1.491 31.166 32.600 0.096 0.000 1.365 226 M HN -0.013 nan 8.290 nan 0.000 0.411 227 I N -0.080 120.477 120.570 -0.021 0.000 2.264 227 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 227 I C 2.564 178.776 176.117 0.157 0.000 1.111 227 I CA 1.387 62.744 61.300 0.095 0.000 1.382 227 I CB -0.996 37.082 38.000 0.131 0.000 1.060 227 I HN 0.336 nan 8.210 nan 0.000 0.418 228 G N 0.102 108.966 108.800 0.107 0.000 2.408 228 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 228 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 228 G C 1.565 176.498 174.900 0.056 0.000 1.150 228 G CA 0.333 45.501 45.100 0.113 0.000 0.776 228 G HN 0.283 nan 8.290 nan 0.000 0.542 229 Q N 0.545 120.299 119.800 -0.077 0.000 2.230 229 Q HA 0.149 4.489 4.340 -0.000 0.000 0.202 229 Q C 2.806 178.810 176.000 0.007 0.000 0.963 229 Q CA 1.120 56.774 55.803 -0.248 0.000 0.866 229 Q CB -0.636 27.509 28.738 -0.989 0.000 0.931 229 Q HN 0.451 nan 8.270 nan 0.000 0.452 230 A N 1.054 123.953 122.820 0.131 0.000 1.841 230 A HA -0.111 4.208 4.320 -0.000 0.000 0.214 230 A C 2.255 180.004 177.584 0.275 0.000 1.195 230 A CA 1.041 53.247 52.037 0.283 0.000 0.611 230 A CB -0.838 18.321 19.000 0.264 0.000 0.835 230 A HN 0.307 nan 8.150 nan 0.000 0.443 231 L N -1.227 120.174 121.223 0.297 0.000 2.081 231 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 231 L C 2.645 179.791 176.870 0.461 0.000 1.080 231 L CA 1.953 57.050 54.840 0.429 0.000 0.754 231 L CB -0.723 41.601 42.059 0.441 0.000 0.893 231 L HN 0.675 nan 8.230 nan 0.000 0.433 232 H N -0.268 118.953 119.070 0.252 0.000 2.293 232 H HA -0.193 4.362 4.556 -0.001 0.000 0.300 232 H C 2.003 177.312 175.328 -0.033 0.000 1.082 232 H CA 2.070 58.200 56.048 0.136 0.000 1.308 232 H CB -0.212 29.414 29.762 -0.227 0.000 1.375 232 H HN 0.176 nan 8.280 nan 0.000 0.495 233 F N -0.219 119.733 119.950 0.003 0.000 2.206 233 F HA -0.014 4.512 4.527 -0.000 0.000 0.298 233 F C 2.766 178.506 175.800 -0.101 0.000 1.090 233 F CA 1.099 59.058 58.000 -0.069 0.000 1.323 233 F CB -0.245 38.760 39.000 0.009 0.000 1.028 233 F HN 0.083 nan 8.300 nan 0.000 0.492 234 R N -0.347 120.167 120.500 0.022 0.000 2.096 234 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 234 R C 1.102 177.084 176.300 -0.530 0.000 1.127 234 R CA 2.064 57.986 56.100 -0.297 0.000 0.968 234 R CB -0.593 29.424 30.300 -0.472 0.000 0.861 234 R HN 0.396 nan 8.270 nan 0.000 0.440 235 Y N -3.597 116.542 120.300 -0.269 0.000 2.512 235 Y HA 0.270 4.820 4.550 0.000 0.000 0.268 235 Y C 0.716 176.103 175.900 -0.853 0.000 1.102 235 Y CA -0.370 57.350 58.100 -0.632 0.000 1.261 235 Y CB 0.524 38.364 38.460 -1.033 0.000 1.250 235 Y HN -0.088 nan 8.280 nan 0.000 0.506 236 F N -1.570 118.318 119.950 -0.103 0.000 2.706 236 F HA 0.226 4.752 4.527 -0.001 0.000 0.313 236 F C 0.954 176.528 175.800 -0.377 0.000 1.096 236 F CA -0.469 57.407 58.000 -0.207 0.000 1.219 236 F CB -0.131 38.799 39.000 -0.117 0.000 1.051 236 F HN 0.015 nan 8.300 nan 0.000 0.568 237 H N 0.618 119.360 119.070 -0.547 0.000 2.679 237 H HA 0.023 4.579 4.556 -0.001 0.000 0.369 237 H C 1.463 176.733 175.328 -0.097 0.000 1.178 237 H CA 0.440 56.245 56.048 -0.405 0.000 1.419 237 H CB 1.400 30.953 29.762 -0.348 0.000 1.458 237 H HN 0.181 nan 8.280 nan 0.000 0.605 238 S N 1.888 117.323 115.700 -0.442 0.000 2.507 238 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 238 S C 0.428 174.908 174.600 -0.200 0.000 0.988 238 S CA 0.648 58.683 58.200 -0.274 0.000 0.944 238 S CB -0.050 62.985 63.200 -0.274 0.000 0.762 238 S HN 0.690 nan 8.310 nan 0.000 0.526 239 Q N -0.550 119.134 119.800 -0.193 0.000 2.575 239 Q HA 0.465 4.805 4.340 -0.000 0.000 0.290 239 Q C -1.574 174.502 176.000 0.126 0.000 0.963 239 Q CA -1.242 54.553 55.803 -0.013 0.000 0.783 239 Q CB 0.987 29.725 28.738 0.000 0.000 1.467 239 Q HN 0.118 nan 8.270 nan 0.000 0.402 240 K N 1.483 121.942 120.400 0.099 0.000 2.234 240 K HA 0.497 4.817 4.320 -0.000 0.000 0.282 240 K C -1.079 175.610 176.600 0.148 0.000 1.039 240 K CA -0.328 56.028 56.287 0.116 0.000 0.928 240 K CB 0.596 33.126 32.500 0.049 0.000 1.039 240 K HN 0.644 nan 8.250 nan 0.000 0.470 241 I N 5.203 125.879 120.570 0.178 0.000 2.714 241 I HA 0.157 4.327 4.170 -0.000 0.000 0.276 241 I C 0.771 176.916 176.117 0.046 0.000 1.196 241 I CA -0.549 60.824 61.300 0.121 0.000 1.068 241 I CB 1.439 39.535 38.000 0.159 0.000 1.291 241 I HN 0.824 nan 8.210 nan 0.000 0.530 242 A N 3.178 126.014 122.820 0.025 0.000 1.927 242 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 242 A C 2.418 179.985 177.584 -0.028 0.000 1.185 242 A CA 2.714 54.751 52.037 0.000 0.000 0.639 242 A CB -0.486 18.512 19.000 -0.003 0.000 0.820 242 A HN 0.730 nan 8.150 nan 0.000 0.451 243 S N -0.279 115.394 115.700 -0.045 0.000 2.423 243 S HA 0.125 4.595 4.470 -0.000 0.000 0.231 243 S C 1.991 176.505 174.600 -0.142 0.000 1.014 243 S CA 1.261 59.414 58.200 -0.078 0.000 0.965 243 S CB -0.539 62.619 63.200 -0.069 0.000 0.785 243 S HN 0.930 nan 8.310 nan 0.000 0.495 244 A N 1.592 124.292 122.820 -0.200 0.000 1.898 244 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 244 A C 2.385 179.885 177.584 -0.139 0.000 1.183 244 A CA 1.253 53.066 52.037 -0.374 0.000 0.622 244 A CB -1.013 17.400 19.000 -0.980 0.000 0.824 244 A HN 0.417 nan 8.150 nan 0.000 0.444 245 V N 0.418 120.318 119.914 -0.024 0.000 2.287 245 V HA -0.295 3.824 4.120 -0.000 0.000 0.248 245 V C 2.546 178.673 176.094 0.054 0.000 1.053 245 V CA 2.383 64.740 62.300 0.095 0.000 1.027 245 V CB -0.783 31.074 31.823 0.057 0.000 0.646 245 V HN 0.793 nan 8.190 nan 0.000 0.447 246 E N 0.395 120.587 120.200 -0.013 0.000 2.106 246 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 246 E C 2.427 178.986 176.600 -0.068 0.000 0.984 246 E CA 1.286 57.671 56.400 -0.025 0.000 0.806 246 E CB -0.098 29.580 29.700 -0.037 0.000 0.750 246 E HN 0.542 nan 8.360 nan 0.000 0.458 247 R N -0.480 119.919 120.500 -0.167 0.000 2.070 247 R HA -0.191 4.149 4.340 -0.000 0.000 0.233 247 R C 2.026 178.109 176.300 -0.361 0.000 1.137 247 R CA 1.944 57.846 56.100 -0.329 0.000 0.945 247 R CB -0.456 29.503 30.300 -0.569 0.000 0.845 247 R HN 0.271 nan 8.270 nan 0.000 0.430 248 Y N 0.407 120.704 120.300 -0.005 0.000 2.314 248 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 248 Y C 2.639 178.579 175.900 0.067 0.000 1.129 248 Y CA 1.560 59.687 58.100 0.045 0.000 1.201 248 Y CB -0.254 38.258 38.460 0.087 0.000 0.999 248 Y HN 0.145 nan 8.280 nan 0.000 0.541 249 T N -0.318 114.337 114.554 0.169 0.000 2.708 249 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 249 T C 1.261 176.034 174.700 0.122 0.000 1.037 249 T CA 1.690 63.875 62.100 0.143 0.000 1.146 249 T CB -0.375 68.554 68.868 0.102 0.000 0.865 249 T HN 0.285 nan 8.240 nan 0.000 0.435 250 D N 0.666 121.110 120.400 0.072 0.000 2.104 250 D HA -0.095 4.544 4.640 -0.000 0.000 0.194 250 D C 2.236 178.593 176.300 0.096 0.000 0.994 250 D CA 1.146 55.188 54.000 0.070 0.000 0.830 250 D CB -0.409 40.402 40.800 0.017 0.000 0.959 250 D HN 0.350 nan 8.370 nan 0.000 0.452 251 E N 0.704 120.945 120.200 0.069 0.000 2.058 251 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 251 E C 2.010 178.698 176.600 0.146 0.000 0.997 251 E CA 0.897 57.352 56.400 0.092 0.000 0.801 251 E CB -0.356 29.386 29.700 0.069 0.000 0.746 251 E HN 0.072 nan 8.360 nan 0.000 0.450 252 V N 0.869 120.883 119.914 0.167 0.000 2.490 252 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 252 V C 2.451 178.722 176.094 0.296 0.000 1.061 252 V CA 2.158 64.578 62.300 0.200 0.000 1.064 252 V CB -0.516 31.427 31.823 0.200 0.000 0.670 252 V HN 0.250 nan 8.190 nan 0.000 0.461 253 R N -0.401 120.261 120.500 0.269 0.000 2.090 253 R HA -0.096 4.244 4.340 -0.000 0.000 0.228 253 R C 2.543 179.044 176.300 0.335 0.000 1.110 253 R CA 1.268 57.583 56.100 0.358 0.000 0.973 253 R CB -0.335 30.154 30.300 0.315 0.000 0.869 253 R HN 0.423 nan 8.270 nan 0.000 0.440 254 R N 1.111 121.755 120.500 0.241 0.000 2.073 254 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 254 R C 2.353 178.791 176.300 0.230 0.000 1.134 254 R CA 1.956 58.182 56.100 0.211 0.000 0.952 254 R CB -0.332 30.062 30.300 0.156 0.000 0.850 254 R HN 0.235 nan 8.270 nan 0.000 0.433 255 V N -1.520 118.536 119.914 0.237 0.000 2.407 255 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 255 V C 1.756 177.958 176.094 0.180 0.000 1.055 255 V CA 1.498 63.976 62.300 0.298 0.000 1.049 255 V CB -1.034 30.892 31.823 0.172 0.000 0.662 255 V HN 0.303 nan 8.190 nan 0.000 0.455 256 Y N 2.250 122.550 120.300 -0.001 0.000 2.439 256 Y HA 0.173 4.723 4.550 -0.001 0.000 0.292 256 Y C 2.652 178.351 175.900 -0.335 0.000 1.130 256 Y CA 1.388 59.274 58.100 -0.356 0.000 1.254 256 Y CB -0.562 37.282 38.460 -1.026 0.000 1.000 256 Y HN 0.375 nan 8.280 nan 0.000 0.554 257 G N -0.981 107.905 108.800 0.143 0.000 2.403 257 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 257 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 257 G C 1.712 176.718 174.900 0.177 0.000 1.154 257 G CA 1.091 46.362 45.100 0.284 0.000 0.784 257 G HN 0.253 nan 8.290 nan 0.000 0.538 258 V N 0.648 120.663 119.914 0.169 0.000 2.343 258 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 258 V C 3.001 179.191 176.094 0.160 0.000 1.051 258 V CA 1.431 63.826 62.300 0.158 0.000 1.036 258 V CB -0.298 31.624 31.823 0.164 0.000 0.654 258 V HN 0.245 nan 8.190 nan 0.000 0.451 259 V N 0.027 120.002 119.914 0.101 0.000 2.358 259 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 259 V C 2.516 178.462 176.094 -0.246 0.000 1.047 259 V CA 2.181 64.380 62.300 -0.168 0.000 1.035 259 V CB -0.574 30.992 31.823 -0.429 0.000 0.658 259 V HN 0.612 nan 8.190 nan 0.000 0.452 260 E N 0.406 120.556 120.200 -0.083 0.000 2.038 260 E HA -0.283 4.066 4.350 -0.000 0.000 0.195 260 E C 2.214 178.807 176.600 -0.011 0.000 1.000 260 E CA 2.179 58.583 56.400 0.006 0.000 0.803 260 E CB -0.439 29.425 29.700 0.273 0.000 0.750 260 E HN 0.495 nan 8.360 nan 0.000 0.448 261 M N -0.374 119.251 119.600 0.040 0.000 2.108 261 M HA -0.195 4.284 4.480 -0.000 0.000 0.261 261 M C 2.092 178.389 176.300 -0.005 0.000 1.066 261 M CA 2.059 57.379 55.300 0.033 0.000 1.107 261 M CB -0.159 32.478 32.600 0.061 0.000 1.356 261 M HN 0.252 nan 8.290 nan 0.000 0.406 262 A N 0.574 123.383 122.820 -0.019 0.000 1.877 262 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 262 A C 2.005 179.493 177.584 -0.161 0.000 1.186 262 A CA 1.521 53.535 52.037 -0.039 0.000 0.620 262 A CB -0.994 18.007 19.000 0.001 0.000 0.822 262 A HN 0.588 nan 8.150 nan 0.000 0.443 263 L N -0.764 120.287 121.223 -0.286 0.000 2.017 263 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 263 L C 3.146 179.913 176.870 -0.171 0.000 1.073 263 L CA 1.167 55.810 54.840 -0.328 0.000 0.745 263 L CB -0.631 41.151 42.059 -0.461 0.000 0.894 263 L HN 0.454 nan 8.230 nan 0.000 0.432 264 A N -0.272 122.485 122.820 -0.106 0.000 1.908 264 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 264 A C 2.166 179.727 177.584 -0.038 0.000 1.181 264 A CA 1.887 53.894 52.037 -0.050 0.000 0.627 264 A CB -0.494 18.497 19.000 -0.015 0.000 0.818 264 A HN 0.462 nan 8.150 nan 0.000 0.445 265 E N -0.846 119.332 120.200 -0.036 0.000 2.077 265 E HA -0.170 4.179 4.350 -0.000 0.000 0.193 265 E C 2.370 178.958 176.600 -0.020 0.000 0.989 265 E CA 0.800 57.190 56.400 -0.017 0.000 0.800 265 E CB -0.087 29.612 29.700 -0.001 0.000 0.746 265 E HN 0.389 nan 8.360 nan 0.000 0.452 266 R N 0.446 120.919 120.500 -0.045 0.000 2.081 266 R HA -0.127 4.212 4.340 -0.000 0.000 0.235 266 R C 2.350 178.637 176.300 -0.022 0.000 1.131 266 R CA 1.178 57.257 56.100 -0.036 0.000 0.960 266 R CB -0.592 29.661 30.300 -0.078 0.000 0.856 266 R HN 0.148 nan 8.270 nan 0.000 0.436 267 R N 1.411 121.889 120.500 -0.037 0.000 2.070 267 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 267 R C 2.211 178.512 176.300 0.002 0.000 1.137 267 R CA 1.996 58.089 56.100 -0.012 0.000 0.945 267 R CB -0.328 29.960 30.300 -0.020 0.000 0.845 267 R HN 0.313 nan 8.270 nan 0.000 0.430 268 E N 0.046 120.243 120.200 -0.005 0.000 2.065 268 E HA -0.296 4.054 4.350 -0.000 0.000 0.201 268 E C 1.790 178.392 176.600 0.002 0.000 1.016 268 E CA 1.742 58.141 56.400 -0.000 0.000 0.818 268 E CB -0.276 29.424 29.700 -0.001 0.000 0.749 268 E HN 0.515 nan 8.360 nan 0.000 0.453 269 A N 1.330 124.153 122.820 0.005 0.000 1.883 269 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 269 A C 2.310 179.900 177.584 0.011 0.000 1.186 269 A CA 1.597 53.640 52.037 0.009 0.000 0.624 269 A CB -0.793 18.215 19.000 0.014 0.000 0.822 269 A HN 0.381 nan 8.150 nan 0.000 0.444 270 L N -0.208 121.026 121.223 0.018 0.000 2.362 270 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 270 L C 2.019 178.883 176.870 -0.010 0.000 1.134 270 L CA 0.368 55.218 54.840 0.017 0.000 0.807 270 L CB -0.347 41.745 42.059 0.055 0.000 0.927 270 L HN 0.236 nan 8.230 nan 0.000 0.447 271 V N -0.616 119.294 119.914 -0.007 0.000 3.141 271 V HA -0.077 4.043 4.120 -0.000 0.000 0.265 271 V C 1.166 177.250 176.094 -0.017 0.000 1.126 271 V CA 0.975 63.266 62.300 -0.016 0.000 1.141 271 V CB -0.432 31.386 31.823 -0.008 0.000 0.743 271 V HN 0.317 nan 8.190 nan 0.000 0.492 297 Y N 2.044 122.359 120.300 0.025 0.000 2.425 297 Y HA 0.383 4.932 4.550 -0.000 0.000 0.331 297 Y C -1.979 173.861 175.900 -0.100 0.000 1.157 297 Y CA -1.692 56.394 58.100 -0.024 0.000 1.372 297 Y CB 0.624 39.066 38.460 -0.030 0.000 1.253 297 Y HN 0.064 nan 8.280 nan 0.000 0.536 298 P HA 0.056 nan 4.420 nan 0.000 0.268 298 P C -1.155 175.655 177.300 -0.818 0.000 1.204 298 P CA 0.213 62.776 63.100 -0.893 0.000 0.768 298 P CB 1.216 32.250 31.700 -1.110 0.000 0.842 299 V N 4.036 123.448 119.914 -0.836 0.000 2.680 299 V HA 0.488 4.608 4.120 -0.000 0.000 0.309 299 V C -0.558 175.022 176.094 -0.856 0.000 1.052 299 V CA -0.318 61.599 62.300 -0.638 0.000 0.908 299 V CB 1.752 33.387 31.823 -0.314 0.000 1.001 299 V HN 0.625 nan 8.190 nan 0.000 0.431 300 W N 2.942 124.225 121.300 -0.028 0.000 2.950 300 W HA 0.590 5.249 4.660 -0.002 0.000 0.340 300 W C 0.810 177.255 176.519 -0.124 0.000 1.139 300 W CA -0.749 56.597 57.345 0.002 0.000 1.188 300 W CB 1.505 30.985 29.460 0.034 0.000 1.426 300 W HN 0.353 nan 8.180 nan 0.000 0.531 301 L N 1.221 122.484 121.223 0.066 0.000 2.042 301 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 301 L C 0.437 177.272 176.870 -0.057 0.000 1.076 301 L CA 1.038 55.700 54.840 -0.296 0.000 0.749 301 L CB -0.725 40.904 42.059 -0.716 0.000 0.893 301 L HN 0.175 nan 8.230 nan 0.000 0.432 302 V N -1.173 118.792 119.914 0.086 0.000 2.789 302 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 302 V C 0.696 176.853 176.094 0.105 0.000 1.073 302 V CA -0.468 61.908 62.300 0.127 0.000 0.921 302 V CB 1.380 33.305 31.823 0.169 0.000 1.009 302 V HN 0.360 nan 8.190 nan 0.000 0.426 303 G N 3.010 111.860 108.800 0.084 0.000 2.379 303 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.297 303 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.297 303 G C 0.181 175.133 174.900 0.087 0.000 1.004 303 G CA 0.627 45.764 45.100 0.060 0.000 0.921 303 G HN 1.079 nan 8.290 nan 0.000 0.511 304 D N -1.634 118.852 120.400 0.144 0.000 2.782 304 D HA -0.196 4.443 4.640 -0.000 0.000 0.231 304 D C 0.790 177.240 176.300 0.250 0.000 1.163 304 D CA 2.144 56.278 54.000 0.223 0.000 0.680 304 D CB -0.988 39.910 40.800 0.164 0.000 1.062 304 D HN 1.251 nan 8.370 nan 0.000 0.425 305 K N -1.471 118.996 120.400 0.111 0.000 2.527 305 K HA 0.538 4.858 4.320 -0.000 0.000 0.260 305 K C -0.630 175.630 176.600 -0.567 0.000 0.937 305 K CA -1.075 55.088 56.287 -0.207 0.000 0.826 305 K CB 1.897 34.322 32.500 -0.124 0.000 1.359 305 K HN 0.019 nan 8.250 nan 0.000 0.434 306 L N 3.368 123.945 121.223 -1.077 0.000 2.477 306 L HA 0.142 4.482 4.340 -0.000 0.000 0.272 306 L C -0.383 176.224 176.870 -0.439 0.000 1.157 306 L CA 0.710 54.892 54.840 -1.097 0.000 0.889 306 L CB 0.458 41.806 42.059 -1.184 0.000 1.158 306 L HN 1.080 nan 8.230 nan 0.000 0.473 307 T N 1.180 115.597 114.554 -0.227 0.000 2.831 307 T HA 0.361 4.711 4.350 -0.000 0.000 0.287 307 T C 1.341 176.040 174.700 -0.001 0.000 1.070 307 T CA -0.622 61.453 62.100 -0.043 0.000 1.010 307 T CB 1.115 70.037 68.868 0.090 0.000 1.264 307 T HN 0.543 nan 8.240 nan 0.000 0.532 308 I N -0.771 119.834 120.570 0.058 0.000 2.756 308 I HA 0.130 4.299 4.170 -0.000 0.000 0.262 308 I C 2.485 178.677 176.117 0.125 0.000 1.225 308 I CA 1.013 62.335 61.300 0.038 0.000 1.472 308 I CB -1.036 36.959 38.000 -0.008 0.000 1.094 308 I HN 0.670 nan 8.210 nan 0.000 0.454 309 A N 2.323 125.270 122.820 0.213 0.000 1.865 309 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 309 A C 2.054 179.907 177.584 0.448 0.000 1.191 309 A CA 2.236 54.481 52.037 0.348 0.000 0.623 309 A CB -0.713 18.496 19.000 0.349 0.000 0.826 309 A HN 0.538 nan 8.150 nan 0.000 0.444 310 D N 0.005 120.617 120.400 0.354 0.000 2.097 310 D HA -0.092 4.547 4.640 -0.000 0.000 0.197 310 D C 2.051 178.430 176.300 0.132 0.000 0.984 310 D CA 1.221 55.481 54.000 0.433 0.000 0.826 310 D CB -0.323 40.735 40.800 0.430 0.000 0.973 310 D HN 0.438 nan 8.370 nan 0.000 0.460 311 L N 1.279 122.530 121.223 0.047 0.000 2.042 311 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 311 L C 2.750 179.653 176.870 0.054 0.000 1.076 311 L CA 0.969 55.799 54.840 -0.017 0.000 0.749 311 L CB -0.548 41.483 42.059 -0.047 0.000 0.893 311 L HN -0.028 nan 8.230 nan 0.000 0.432 312 A N 0.038 122.909 122.820 0.085 0.000 1.997 312 A HA -0.245 4.074 4.320 -0.000 0.000 0.221 312 A C 1.950 179.540 177.584 0.009 0.000 1.172 312 A CA 1.871 53.908 52.037 0.001 0.000 0.645 312 A CB -0.826 18.090 19.000 -0.141 0.000 0.813 312 A HN 0.390 nan 8.150 nan 0.000 0.454 313 F N -0.942 119.039 119.950 0.052 0.000 2.512 313 F HA -0.012 4.515 4.527 -0.001 0.000 0.296 313 F C 2.253 178.154 175.800 0.167 0.000 1.110 313 F CA 0.716 58.763 58.000 0.079 0.000 1.446 313 F CB -0.490 38.553 39.000 0.071 0.000 1.092 313 F HN 0.002 nan 8.300 nan 0.000 0.554 314 V N 1.323 121.337 119.914 0.166 0.000 2.250 314 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 314 V C -0.255 175.897 176.094 0.097 0.000 1.060 314 V CA 2.253 64.593 62.300 0.067 0.000 1.030 314 V CB -1.745 30.056 31.823 -0.037 0.000 0.643 314 V HN 0.194 nan 8.190 nan 0.000 0.445 315 P HA -0.138 nan 4.420 nan 0.000 0.218 315 P C 1.121 178.300 177.300 -0.202 0.000 1.149 315 P CA 1.527 64.555 63.100 -0.120 0.000 0.817 315 P CB -0.103 31.489 31.700 -0.180 0.000 0.785 316 W N -0.329 121.075 121.300 0.174 0.000 2.443 316 W HA -0.011 4.650 4.660 0.002 0.000 0.296 316 W C 2.092 178.792 176.519 0.302 0.000 1.202 316 W CA 0.415 57.913 57.345 0.255 0.000 1.312 316 W CB -1.546 28.174 29.460 0.433 0.000 1.120 316 W HN -0.117 nan 8.180 nan 0.000 0.536 317 N N 0.592 119.630 118.700 0.563 0.000 2.247 317 N HA -0.201 4.539 4.740 -0.000 0.000 0.189 317 N C 0.663 176.322 175.510 0.248 0.000 1.009 317 N CA 1.515 54.844 53.050 0.464 0.000 0.872 317 N CB -0.979 37.745 38.487 0.394 0.000 0.980 317 N HN 0.472 nan 8.380 nan 0.000 0.436 318 N N -0.441 118.349 118.700 0.150 0.000 2.461 318 N HA 0.048 4.788 4.740 -0.000 0.000 0.188 318 N C 0.801 176.331 175.510 0.034 0.000 1.134 318 N CA -0.127 52.955 53.050 0.054 0.000 0.878 318 N CB 0.603 39.069 38.487 -0.034 0.000 0.972 318 N HN 0.008 nan 8.380 nan 0.000 0.456 319 V N -0.428 119.538 119.914 0.085 0.000 3.473 319 V HA -0.047 4.073 4.120 -0.000 0.000 0.253 319 V C 2.003 178.177 176.094 0.134 0.000 1.340 319 V CA 0.258 62.602 62.300 0.074 0.000 1.103 319 V CB 0.593 32.437 31.823 0.036 0.000 0.881 319 V HN 0.168 nan 8.190 nan 0.000 0.451 320 V N 0.638 120.661 119.914 0.181 0.000 2.794 320 V HA -0.265 3.855 4.120 -0.000 0.000 0.260 320 V C 2.101 178.266 176.094 0.118 0.000 1.103 320 V CA 2.245 64.642 62.300 0.161 0.000 1.125 320 V CB -1.181 30.708 31.823 0.110 0.000 0.702 320 V HN 0.751 nan 8.190 nan 0.000 0.494 321 D N 1.523 121.984 120.400 0.101 0.000 2.144 321 D HA -0.259 4.380 4.640 -0.000 0.000 0.199 321 D C 2.076 178.440 176.300 0.107 0.000 0.984 321 D CA 1.587 55.638 54.000 0.086 0.000 0.834 321 D CB -0.560 40.281 40.800 0.068 0.000 0.955 321 D HN 0.518 nan 8.370 nan 0.000 0.465 322 R N 0.600 121.177 120.500 0.128 0.000 2.241 322 R HA 0.024 4.364 4.340 -0.000 0.000 0.224 322 R C 1.841 178.311 176.300 0.283 0.000 1.101 322 R CA 0.961 57.172 56.100 0.186 0.000 0.995 322 R CB -0.429 29.957 30.300 0.144 0.000 0.870 322 R HN 0.464 nan 8.270 nan 0.000 0.463 323 I N -4.114 116.580 120.570 0.206 0.000 3.877 323 I HA 0.437 4.607 4.170 -0.000 0.000 0.332 323 I C 0.442 176.623 176.117 0.106 0.000 1.525 323 I CA -0.084 61.316 61.300 0.166 0.000 1.146 323 I CB 0.719 38.827 38.000 0.180 0.000 1.137 323 I HN 0.096 nan 8.210 nan 0.000 0.424 324 G N 2.293 111.151 108.800 0.097 0.000 2.160 324 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 324 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 324 G C -0.094 174.844 174.900 0.063 0.000 1.008 324 G CA 0.145 45.284 45.100 0.066 0.000 0.724 324 G HN 0.532 nan 8.290 nan 0.000 0.514 325 I N 0.396 121.011 120.570 0.075 0.000 2.336 325 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 325 I C 0.380 176.531 176.117 0.057 0.000 0.991 325 I CA -0.574 60.770 61.300 0.074 0.000 1.227 325 I CB 1.708 39.753 38.000 0.075 0.000 1.366 325 I HN 0.202 nan 8.210 nan 0.000 0.466 326 N N 6.610 125.334 118.700 0.041 0.000 2.816 326 N HA 0.331 5.071 4.740 -0.000 0.000 0.236 326 N C 1.029 176.564 175.510 0.042 0.000 1.076 326 N CA -0.314 52.751 53.050 0.023 0.000 0.902 326 N CB 0.705 39.181 38.487 -0.018 0.000 1.149 326 N HN 0.605 nan 8.380 nan 0.000 0.506 327 I N 2.341 122.981 120.570 0.117 0.000 2.068 327 I HA -0.369 3.801 4.170 -0.000 0.000 0.238 327 I C 2.546 178.765 176.117 0.170 0.000 1.046 327 I CA 1.367 62.809 61.300 0.237 0.000 1.306 327 I CB -0.204 37.944 38.000 0.247 0.000 1.023 327 I HN 0.588 nan 8.210 nan 0.000 0.399 328 K N 1.125 121.568 120.400 0.072 0.000 2.107 328 K HA -0.246 4.074 4.320 -0.000 0.000 0.211 328 K C 1.927 178.372 176.600 -0.258 0.000 1.049 328 K CA 1.971 58.047 56.287 -0.352 0.000 0.927 328 K CB -0.151 31.953 32.500 -0.660 0.000 0.714 328 K HN 0.376 nan 8.250 nan 0.000 0.452 329 I N -0.000 120.474 120.570 -0.160 0.000 2.429 329 I HA -0.128 4.041 4.170 -0.000 0.000 0.247 329 I C 1.753 177.760 176.117 -0.183 0.000 1.099 329 I CA 0.851 62.057 61.300 -0.157 0.000 1.422 329 I CB -0.145 37.776 38.000 -0.132 0.000 1.112 329 I HN 0.190 nan 8.210 nan 0.000 0.430 330 E N 0.573 120.617 120.200 -0.258 0.000 2.371 330 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 330 E C -0.208 175.863 176.600 -0.882 0.000 1.012 330 E CA 0.739 56.789 56.400 -0.583 0.000 0.860 330 E CB 0.206 29.445 29.700 -0.769 0.000 0.811 330 E HN 0.365 nan 8.360 nan 0.000 0.502 331 F N -0.103 119.866 119.950 0.031 0.000 2.710 331 F HA 0.289 4.815 4.527 -0.001 0.000 0.345 331 F C -2.151 173.710 175.800 0.103 0.000 1.362 331 F CA -2.230 55.816 58.000 0.076 0.000 1.175 331 F CB 1.563 40.636 39.000 0.122 0.000 1.561 331 F HN -0.146 nan 8.300 nan 0.000 0.593 332 P HA -0.230 nan 4.420 nan 0.000 0.216 332 P C 1.600 179.018 177.300 0.197 0.000 1.157 332 P CA 1.654 64.843 63.100 0.148 0.000 0.880 332 P CB 0.384 32.121 31.700 0.062 0.000 0.791 333 E N -0.685 119.602 120.200 0.145 0.000 2.077 333 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 333 E C 2.095 178.764 176.600 0.114 0.000 0.989 333 E CA 0.993 57.438 56.400 0.075 0.000 0.800 333 E CB -0.983 28.707 29.700 -0.017 0.000 0.746 333 E HN 0.110 nan 8.360 nan 0.000 0.452 334 V N 0.892 120.925 119.914 0.198 0.000 2.515 334 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 334 V C 2.156 178.503 176.094 0.421 0.000 1.058 334 V CA 1.506 64.007 62.300 0.335 0.000 1.064 334 V CB -0.652 31.408 31.823 0.395 0.000 0.675 334 V HN 0.220 nan 8.190 nan 0.000 0.461 335 Y N 1.382 121.817 120.300 0.224 0.000 2.163 335 Y HA -0.195 4.354 4.550 -0.002 0.000 0.288 335 Y C 2.510 178.466 175.900 0.093 0.000 1.136 335 Y CA 1.712 59.902 58.100 0.150 0.000 1.147 335 Y CB -0.180 38.337 38.460 0.095 0.000 0.987 335 Y HN 0.142 nan 8.280 nan 0.000 0.509 336 K N -1.090 119.346 120.400 0.061 0.000 2.032 336 K HA -0.264 4.056 4.320 -0.000 0.000 0.209 336 K C 1.946 178.469 176.600 -0.128 0.000 1.048 336 K CA 1.779 57.991 56.287 -0.125 0.000 0.927 336 K CB -0.902 31.588 32.500 -0.016 0.000 0.712 336 K HN 0.448 nan 8.250 nan 0.000 0.441 337 W N 2.459 123.663 121.300 -0.159 0.000 2.311 337 W HA -0.252 4.409 4.660 0.001 0.000 0.326 337 W C 2.109 178.591 176.519 -0.062 0.000 1.239 337 W CA 2.430 59.694 57.345 -0.136 0.000 1.258 337 W CB -0.941 28.444 29.460 -0.126 0.000 1.165 337 W HN -0.018 nan 8.180 nan 0.000 0.466 338 T N 1.329 115.889 114.554 0.011 0.000 2.720 338 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 338 T C 1.782 176.364 174.700 -0.197 0.000 1.037 338 T CA 1.866 63.858 62.100 -0.179 0.000 1.144 338 T CB -0.345 68.492 68.868 -0.052 0.000 0.864 338 T HN -0.035 nan 8.240 nan 0.000 0.444 339 K N 0.645 120.866 120.400 -0.298 0.000 2.057 339 K HA -0.077 4.242 4.320 -0.000 0.000 0.207 339 K C 2.214 178.704 176.600 -0.183 0.000 1.049 339 K CA 1.265 57.357 56.287 -0.325 0.000 0.931 339 K CB -0.702 31.491 32.500 -0.511 0.000 0.714 339 K HN 0.503 nan 8.250 nan 0.000 0.440 340 H N 0.419 119.428 119.070 -0.102 0.000 2.352 340 H HA -0.037 4.519 4.556 -0.000 0.000 0.299 340 H C 2.170 177.515 175.328 0.030 0.000 1.097 340 H CA 1.531 57.564 56.048 -0.025 0.000 1.311 340 H CB -0.097 29.645 29.762 -0.034 0.000 1.377 340 H HN 0.190 nan 8.280 nan 0.000 0.504 341 M N -0.556 119.123 119.600 0.130 0.000 2.229 341 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 341 M C 2.085 178.379 176.300 -0.010 0.000 1.063 341 M CA 0.961 56.291 55.300 0.050 0.000 1.114 341 M CB -0.053 32.507 32.600 -0.067 0.000 1.387 341 M HN 0.118 nan 8.290 nan 0.000 0.420 342 M N -0.376 119.199 119.600 -0.043 0.000 2.549 342 M HA -0.098 4.382 4.480 -0.000 0.000 0.260 342 M C 1.488 177.776 176.300 -0.021 0.000 1.076 342 M CA 1.430 56.703 55.300 -0.045 0.000 1.090 342 M CB -0.829 31.727 32.600 -0.074 0.000 1.418 342 M HN 0.243 nan 8.290 nan 0.000 0.486 343 R N -0.381 120.119 120.500 -0.001 0.000 2.317 343 R HA 0.138 4.478 4.340 -0.000 0.000 0.208 343 R C 0.196 176.508 176.300 0.020 0.000 0.914 343 R CA -0.036 56.072 56.100 0.013 0.000 1.060 343 R CB 0.296 30.615 30.300 0.032 0.000 1.015 343 R HN 0.296 nan 8.270 nan 0.000 0.498 344 R N 1.057 121.566 120.500 0.015 0.000 2.298 344 R HA 0.098 4.438 4.340 -0.000 0.000 0.310 344 R C -1.916 174.383 176.300 -0.002 0.000 1.068 344 R CA -1.735 54.367 56.100 0.003 0.000 0.957 344 R CB 0.476 30.767 30.300 -0.015 0.000 1.003 344 R HN -0.121 nan 8.270 nan 0.000 0.454 345 P HA -0.310 nan 4.420 nan 0.000 0.216 345 P C 1.074 178.376 177.300 0.003 0.000 1.167 345 P CA 1.910 65.012 63.100 0.002 0.000 0.914 345 P CB 0.160 31.860 31.700 0.000 0.000 0.793 346 A N -0.910 121.904 122.820 -0.010 0.000 1.917 346 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 346 A C 2.374 179.961 177.584 0.006 0.000 1.182 346 A CA 2.329 54.360 52.037 -0.010 0.000 0.633 346 A CB -1.813 17.160 19.000 -0.046 0.000 0.819 346 A HN 0.064 nan 8.150 nan 0.000 0.448 347 V N 0.154 120.065 119.914 -0.005 0.000 2.295 347 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 347 V C 2.438 178.550 176.094 0.029 0.000 1.049 347 V CA 2.060 64.363 62.300 0.006 0.000 1.024 347 V CB -0.718 31.097 31.823 -0.014 0.000 0.648 347 V HN 0.592 nan 8.190 nan 0.000 0.447 348 I N 0.020 120.602 120.570 0.021 0.000 2.163 348 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 348 I C 2.584 178.732 176.117 0.050 0.000 1.085 348 I CA 2.098 63.414 61.300 0.027 0.000 1.347 348 I CB -0.529 37.481 38.000 0.017 0.000 1.044 348 I HN 0.293 nan 8.210 nan 0.000 0.408 349 K N 1.401 121.831 120.400 0.050 0.000 2.074 349 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 349 K C 2.194 178.859 176.600 0.107 0.000 1.048 349 K CA 1.736 58.062 56.287 0.065 0.000 0.926 349 K CB -0.145 32.387 32.500 0.054 0.000 0.713 349 K HN 0.323 nan 8.250 nan 0.000 0.444 350 A N 1.263 124.157 122.820 0.123 0.000 1.873 350 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 350 A C 2.034 179.783 177.584 0.275 0.000 1.186 350 A CA 1.279 53.424 52.037 0.181 0.000 0.616 350 A CB -0.612 18.472 19.000 0.140 0.000 0.823 350 A HN 0.348 nan 8.150 nan 0.000 0.442 351 L N -1.323 120.041 121.223 0.234 0.000 2.549 351 L HA -0.063 4.276 4.340 -0.000 0.000 0.229 351 L C 2.541 179.531 176.870 0.200 0.000 1.158 351 L CA 0.648 55.632 54.840 0.241 0.000 0.842 351 L CB -0.338 41.750 42.059 0.049 0.000 0.952 351 L HN 0.374 nan 8.230 nan 0.000 0.452 352 R N -0.594 120.014 120.500 0.181 0.000 2.195 352 R HA 0.145 4.485 4.340 -0.000 0.000 0.197 352 R C 1.366 177.766 176.300 0.167 0.000 0.990 352 R CA 0.322 56.501 56.100 0.131 0.000 1.048 352 R CB 0.125 30.471 30.300 0.077 0.000 0.997 352 R HN 0.292 nan 8.270 nan 0.000 0.502 353 G N 0.000 108.916 108.800 0.193 0.000 5.446 353 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 353 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 353 G CA 0.000 45.209 45.100 0.183 0.000 0.502 353 G HN 0.000 nan 8.290 nan 0.000 0.925