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 2hp7_1_A DATA FIRST_RESID 44 DATA SEQUENCE PSKFSKEQLR TFQMIHENFG RALSTYLSGR LRTFVDVEIS IDQLTYEEFI DATA SEQUENCE RSVMIPSFIV IFTGDVFEGS AIFEMRLDLF YTMLDIIMGG XXXXPPNRPP DATA SEQUENCE TEIETSIMRK EVTNMLTLLA QAWSDFQYFI PSIENVETNP QFVQIVPPNE DATA SEQUENCE IVLLVTASVS WGEFTSFINV CWPFSLLEPL LEK 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 44 P HA 0.000 nan 4.420 nan 0.000 0.216 44 P C 0.000 177.243 177.300 -0.095 0.000 1.155 44 P CA 0.000 63.105 63.100 0.008 0.000 0.800 44 P CB 0.000 31.702 31.700 0.004 0.000 0.726 45 S N -0.643 114.864 115.700 -0.322 0.000 2.558 45 S HA 0.074 4.546 4.470 0.002 0.000 0.217 45 S C 0.674 174.497 174.600 -1.296 0.000 0.975 45 S CA 0.290 58.052 58.200 -0.731 0.000 0.912 45 S CB 0.253 63.227 63.200 -0.376 0.000 0.776 45 S HN 0.675 nan 8.310 nan 0.000 0.526 46 K N 0.161 120.047 120.400 -0.856 0.000 2.340 46 K HA 0.432 4.754 4.320 0.002 0.000 0.244 46 K C -1.642 174.756 176.600 -0.337 0.000 0.973 46 K CA -0.820 55.090 56.287 -0.630 0.000 0.828 46 K CB 0.975 33.323 32.500 -0.254 0.000 1.226 46 K HN 0.075 nan 8.250 nan 0.000 0.437 47 F N 1.606 121.581 119.950 0.042 0.000 2.412 47 F HA 0.128 4.657 4.527 0.002 0.000 0.348 47 F C 1.321 177.190 175.800 0.114 0.000 1.102 47 F CA 0.129 58.248 58.000 0.199 0.000 1.196 47 F CB 1.272 40.420 39.000 0.245 0.000 1.144 47 F HN 0.610 nan 8.300 nan 0.000 0.541 48 S N 2.249 118.134 115.700 0.308 0.000 2.617 48 S HA 0.184 4.655 4.470 0.002 0.000 0.259 48 S C 1.246 175.932 174.600 0.145 0.000 1.301 48 S CA -0.650 57.651 58.200 0.169 0.000 0.984 48 S CB 1.104 64.378 63.200 0.122 0.000 0.954 48 S HN 0.650 nan 8.310 nan 0.000 0.572 49 K N 0.788 121.240 120.400 0.086 0.000 2.002 49 K HA -0.058 4.263 4.320 0.002 0.000 0.209 49 K C 2.160 178.780 176.600 0.033 0.000 1.048 49 K CA 2.042 58.364 56.287 0.059 0.000 0.930 49 K CB -0.533 31.990 32.500 0.039 0.000 0.714 49 K HN 0.799 nan 8.250 nan 0.000 0.438 50 E N -0.108 120.102 120.200 0.017 0.000 2.153 50 E HA -0.213 4.138 4.350 0.002 0.000 0.194 50 E C 2.139 178.694 176.600 -0.074 0.000 0.988 50 E CA 1.120 57.507 56.400 -0.022 0.000 0.811 50 E CB -0.007 29.684 29.700 -0.016 0.000 0.746 50 E HN 0.384 nan 8.360 nan 0.000 0.466 51 Q N 0.320 120.095 119.800 -0.041 0.000 2.119 51 Q HA -0.091 4.250 4.340 0.002 0.000 0.201 51 Q C 2.260 178.148 176.000 -0.186 0.000 0.972 51 Q CA 0.812 56.530 55.803 -0.141 0.000 0.847 51 Q CB 0.025 28.818 28.738 0.092 0.000 0.903 51 Q HN 0.313 nan 8.270 nan 0.000 0.433 52 L N 0.229 121.462 121.223 0.016 0.000 2.056 52 L HA -0.178 4.163 4.340 0.002 0.000 0.207 52 L C 2.662 179.525 176.870 -0.012 0.000 1.078 52 L CA 1.115 55.994 54.840 0.066 0.000 0.749 52 L CB -0.417 41.691 42.059 0.081 0.000 0.901 52 L HN 0.209 nan 8.230 nan 0.000 0.433 53 R N -0.233 120.231 120.500 -0.059 0.000 2.096 53 R HA -0.155 4.187 4.340 0.002 0.000 0.235 53 R C 2.134 178.339 176.300 -0.159 0.000 1.127 53 R CA 1.929 57.986 56.100 -0.072 0.000 0.968 53 R CB -0.250 30.017 30.300 -0.055 0.000 0.861 53 R HN 0.242 nan 8.270 nan 0.000 0.440 54 T N 0.716 115.083 114.554 -0.310 0.000 2.746 54 T HA -0.110 4.241 4.350 0.002 0.000 0.267 54 T C 1.344 175.677 174.700 -0.612 0.000 1.039 54 T CA 1.492 63.267 62.100 -0.540 0.000 1.142 54 T CB -0.252 68.160 68.868 -0.760 0.000 0.866 54 T HN 0.160 nan 8.240 nan 0.000 0.444 55 F N 1.357 121.098 119.950 -0.349 0.000 2.234 55 F HA 0.026 4.555 4.527 0.003 0.000 0.299 55 F C 2.580 178.357 175.800 -0.039 0.000 1.087 55 F CA 0.447 58.284 58.000 -0.273 0.000 1.340 55 F CB -0.806 38.041 39.000 -0.256 0.000 1.031 55 F HN 0.109 nan 8.300 nan 0.000 0.500 56 Q N -0.102 119.753 119.800 0.093 0.000 2.079 56 Q HA -0.159 4.183 4.340 0.002 0.000 0.200 56 Q C 2.004 178.050 176.000 0.076 0.000 0.974 56 Q CA 1.613 57.477 55.803 0.103 0.000 0.840 56 Q CB -0.179 28.591 28.738 0.053 0.000 0.898 56 Q HN 0.172 nan 8.270 nan 0.000 0.430 57 M N -0.461 119.126 119.600 -0.022 0.000 2.200 57 M HA -0.028 4.453 4.480 0.002 0.000 0.265 57 M C 2.165 178.444 176.300 -0.035 0.000 1.066 57 M CA 1.126 56.411 55.300 -0.024 0.000 1.127 57 M CB -0.782 31.783 32.600 -0.058 0.000 1.379 57 M HN 0.282 nan 8.290 nan 0.000 0.420 58 I N -0.514 119.949 120.570 -0.177 0.000 2.142 58 I HA -0.334 3.838 4.170 0.002 0.000 0.240 58 I C 2.485 178.524 176.117 -0.130 0.000 1.078 58 I CA 1.241 62.376 61.300 -0.275 0.000 1.343 58 I CB -0.581 36.989 38.000 -0.716 0.000 1.046 58 I HN 0.357 nan 8.210 nan 0.000 0.405 59 H N 0.297 119.447 119.070 0.133 0.000 2.495 59 H HA -0.050 4.507 4.556 0.002 0.000 0.287 59 H C 1.881 177.396 175.328 0.311 0.000 1.033 59 H CA 0.876 57.123 56.048 0.331 0.000 1.307 59 H CB 0.051 30.014 29.762 0.335 0.000 1.401 59 H HN 0.492 nan 8.280 nan 0.000 0.555 60 E N 0.558 120.912 120.200 0.256 0.000 2.152 60 E HA -0.120 4.231 4.350 0.002 0.000 0.192 60 E C 2.170 178.869 176.600 0.165 0.000 0.983 60 E CA 0.099 56.610 56.400 0.185 0.000 0.818 60 E CB 0.163 29.939 29.700 0.125 0.000 0.758 60 E HN 0.384 nan 8.360 nan 0.000 0.467 61 N N 0.675 119.476 118.700 0.168 0.000 2.106 61 N HA -0.178 4.564 4.740 0.002 0.000 0.188 61 N C 1.899 177.543 175.510 0.223 0.000 1.029 61 N CA 0.888 54.037 53.050 0.164 0.000 0.848 61 N CB -0.137 38.443 38.487 0.155 0.000 1.007 61 N HN 0.084 nan 8.380 nan 0.000 0.423 62 F N 1.865 121.903 119.950 0.147 0.000 2.095 62 F HA -0.028 4.500 4.527 0.002 0.000 0.298 62 F C 2.297 178.211 175.800 0.190 0.000 1.104 62 F CA 1.946 60.062 58.000 0.194 0.000 1.232 62 F CB -1.050 38.117 39.000 0.279 0.000 0.987 62 F HN 0.033 nan 8.300 nan 0.000 0.475 63 G N 0.404 109.178 108.800 -0.044 0.000 2.469 63 G HA2 -0.293 3.668 3.960 0.002 0.000 0.219 63 G HA3 -0.293 3.668 3.960 0.002 0.000 0.219 63 G C 1.901 176.748 174.900 -0.089 0.000 1.150 63 G CA 0.955 45.965 45.100 -0.150 0.000 0.763 63 G HN 0.386 nan 8.290 nan 0.000 0.561 64 R N 0.384 120.891 120.500 0.011 0.000 2.075 64 R HA 0.063 4.405 4.340 0.002 0.000 0.232 64 R C 3.057 179.381 176.300 0.039 0.000 1.126 64 R CA 1.102 57.228 56.100 0.044 0.000 0.963 64 R CB -0.389 29.955 30.300 0.073 0.000 0.858 64 R HN 0.355 nan 8.270 nan 0.000 0.435 65 A N 1.217 124.061 122.820 0.040 0.000 1.933 65 A HA -0.149 4.172 4.320 0.002 0.000 0.218 65 A C 2.073 179.687 177.584 0.049 0.000 1.175 65 A CA 1.011 53.091 52.037 0.072 0.000 0.628 65 A CB -0.397 18.680 19.000 0.128 0.000 0.814 65 A HN 0.225 nan 8.150 nan 0.000 0.444 66 L N -0.275 120.884 121.223 -0.106 0.000 2.093 66 L HA -0.079 4.262 4.340 0.002 0.000 0.208 66 L C 2.601 179.486 176.870 0.026 0.000 1.085 66 L CA 2.435 57.213 54.840 -0.104 0.000 0.755 66 L CB -0.721 41.071 42.059 -0.444 0.000 0.904 66 L HN 0.357 nan 8.230 nan 0.000 0.435 67 S N -1.553 114.144 115.700 -0.004 0.000 2.359 67 S HA -0.217 4.255 4.470 0.002 0.000 0.224 67 S C 1.934 176.568 174.600 0.057 0.000 1.035 67 S CA 2.045 60.259 58.200 0.023 0.000 1.018 67 S CB -0.493 62.738 63.200 0.052 0.000 0.876 67 S HN 0.645 nan 8.310 nan 0.000 0.448 68 T N 0.424 115.029 114.554 0.084 0.000 2.788 68 T HA -0.071 4.280 4.350 0.002 0.000 0.268 68 T C 1.444 176.178 174.700 0.056 0.000 1.044 68 T CA 1.534 63.682 62.100 0.079 0.000 1.139 68 T CB -0.538 68.381 68.868 0.084 0.000 0.867 68 T HN 0.609 nan 8.240 nan 0.000 0.454 69 Y N 1.758 122.053 120.300 -0.009 0.000 2.114 69 Y HA -0.051 4.500 4.550 0.002 0.000 0.284 69 Y C 2.002 177.874 175.900 -0.047 0.000 1.143 69 Y CA 1.226 59.316 58.100 -0.016 0.000 1.135 69 Y CB -0.479 37.983 38.460 0.004 0.000 0.980 69 Y HN 0.095 nan 8.280 nan 0.000 0.499 70 L N -0.877 120.335 121.223 -0.017 0.000 2.141 70 L HA -0.202 4.140 4.340 0.002 0.000 0.209 70 L C 2.439 179.147 176.870 -0.269 0.000 1.094 70 L CA 1.284 56.035 54.840 -0.149 0.000 0.763 70 L CB -0.623 41.417 42.059 -0.032 0.000 0.908 70 L HN 0.164 nan 8.230 nan 0.000 0.437 71 S N 0.104 115.696 115.700 -0.180 0.000 2.383 71 S HA -0.104 4.367 4.470 0.002 0.000 0.227 71 S C 2.018 176.503 174.600 -0.191 0.000 1.026 71 S CA 1.254 59.359 58.200 -0.160 0.000 0.981 71 S CB -0.422 62.778 63.200 -0.001 0.000 0.818 71 S HN 0.604 nan 8.310 nan 0.000 0.472 72 G N 1.699 110.373 108.800 -0.210 0.000 2.403 72 G HA2 -0.127 3.835 3.960 0.002 0.000 0.216 72 G HA3 -0.127 3.835 3.960 0.002 0.000 0.216 72 G C 1.549 176.278 174.900 -0.285 0.000 1.154 72 G CA 0.175 45.143 45.100 -0.220 0.000 0.784 72 G HN 0.251 nan 8.290 nan 0.000 0.538 73 R N 0.148 120.406 120.500 -0.404 0.000 2.090 73 R HA 0.170 4.512 4.340 0.002 0.000 0.228 73 R C 2.295 178.408 176.300 -0.312 0.000 1.110 73 R CA 0.499 56.371 56.100 -0.380 0.000 0.973 73 R CB -0.726 29.295 30.300 -0.465 0.000 0.869 73 R HN 0.393 nan 8.270 nan 0.000 0.440 74 L N 1.676 122.679 121.223 -0.365 0.000 2.592 74 L HA 0.202 4.543 4.340 0.002 0.000 0.227 74 L C 0.414 177.084 176.870 -0.334 0.000 1.127 74 L CA -0.119 54.471 54.840 -0.416 0.000 0.884 74 L CB -0.253 41.386 42.059 -0.700 0.000 1.065 74 L HN 0.246 nan 8.230 nan 0.000 0.457 75 R N 0.104 120.452 120.500 -0.253 0.000 3.251 75 R HA -0.205 4.136 4.340 0.002 0.000 0.249 75 R C -0.448 175.758 176.300 -0.157 0.000 0.949 75 R CA 0.916 56.912 56.100 -0.173 0.000 0.645 75 R CB -2.768 27.451 30.300 -0.135 0.000 1.065 75 R HN 0.266 nan 8.270 nan 0.000 0.452 76 T N 0.076 114.522 114.554 -0.179 0.000 2.893 76 T HA 0.362 4.714 4.350 0.002 0.000 0.337 76 T C -1.527 173.140 174.700 -0.055 0.000 1.587 76 T CA -0.715 61.315 62.100 -0.117 0.000 1.066 76 T CB 0.758 69.506 68.868 -0.201 0.000 1.414 76 T HN 0.321 nan 8.240 nan 0.000 0.488 77 F N 4.814 124.714 119.950 -0.083 0.000 2.519 77 F HA 0.533 5.061 4.527 0.003 0.000 0.375 77 F C -0.484 175.322 175.800 0.010 0.000 1.084 77 F CA -0.357 57.621 58.000 -0.035 0.000 1.147 77 F CB -0.002 39.001 39.000 0.006 0.000 1.088 77 F HN 0.232 nan 8.300 nan 0.000 0.555 78 V N 6.659 126.313 119.914 -0.434 0.000 2.370 78 V HA 0.195 4.316 4.120 0.002 0.000 0.283 78 V C -0.351 175.391 176.094 -0.586 0.000 1.023 78 V CA -0.791 61.277 62.300 -0.386 0.000 0.857 78 V CB 1.446 33.143 31.823 -0.210 0.000 0.985 78 V HN 0.638 nan 8.190 nan 0.000 0.443 79 D N 3.464 123.520 120.400 -0.572 0.000 2.225 79 D HA 0.610 5.251 4.640 0.002 0.000 0.249 79 D C -0.853 175.380 176.300 -0.111 0.000 1.052 79 D CA 0.017 53.792 54.000 -0.374 0.000 0.909 79 D CB 1.932 42.566 40.800 -0.277 0.000 1.186 79 D HN 0.279 nan 8.370 nan 0.000 0.431 80 V N 3.214 123.105 119.914 -0.038 0.000 2.638 80 V HA 0.399 4.520 4.120 0.002 0.000 0.306 80 V C -0.574 175.541 176.094 0.035 0.000 1.052 80 V CA -0.798 61.504 62.300 0.002 0.000 0.885 80 V CB 1.924 33.739 31.823 -0.013 0.000 0.999 80 V HN 0.486 nan 8.190 nan 0.000 0.424 81 E N 4.184 124.416 120.200 0.053 0.000 2.191 81 E HA 0.504 4.856 4.350 0.002 0.000 0.263 81 E C -1.150 175.516 176.600 0.109 0.000 0.881 81 E CA -0.585 55.862 56.400 0.078 0.000 0.757 81 E CB 2.429 32.173 29.700 0.075 0.000 1.147 81 E HN 0.378 nan 8.360 nan 0.000 0.414 82 I N 2.358 122.999 120.570 0.118 0.000 2.385 82 I HA 0.269 4.440 4.170 0.002 0.000 0.294 82 I C 0.500 176.694 176.117 0.128 0.000 0.988 82 I CA -0.309 61.080 61.300 0.150 0.000 1.265 82 I CB 1.224 39.340 38.000 0.194 0.000 1.388 82 I HN 0.409 nan 8.210 nan 0.000 0.480 83 S N 7.046 122.817 115.700 0.119 0.000 2.546 83 S HA 0.783 5.254 4.470 0.002 0.000 0.272 83 S C -0.737 173.898 174.600 0.059 0.000 1.140 83 S CA -0.821 57.430 58.200 0.085 0.000 0.920 83 S CB 2.147 65.393 63.200 0.077 0.000 1.083 83 S HN 0.523 nan 8.310 nan 0.000 0.476 84 I N -0.550 120.044 120.570 0.041 0.000 2.797 84 I HA 0.952 5.123 4.170 0.002 0.000 0.307 84 I C -1.212 174.907 176.117 0.004 0.000 1.033 84 I CA -0.540 60.762 61.300 0.004 0.000 1.071 84 I CB 2.194 40.190 38.000 -0.006 0.000 1.255 84 I HN 0.663 nan 8.210 nan 0.000 0.445 85 D N 1.728 122.120 120.400 -0.014 0.000 2.653 85 D HA 0.289 4.930 4.640 0.002 0.000 0.258 85 D C -1.918 174.391 176.300 0.016 0.000 1.252 85 D CA -0.299 53.706 54.000 0.007 0.000 0.777 85 D CB 2.238 43.041 40.800 0.005 0.000 1.339 85 D HN 0.803 nan 8.370 nan 0.000 0.422 86 Q N 1.212 121.046 119.800 0.057 0.000 2.340 86 Q HA 0.695 5.036 4.340 0.002 0.000 0.268 86 Q C -1.108 174.939 176.000 0.078 0.000 1.031 86 Q CA -0.922 54.947 55.803 0.109 0.000 0.804 86 Q CB 2.325 31.197 28.738 0.224 0.000 1.286 86 Q HN 0.358 nan 8.270 nan 0.000 0.448 87 L N -1.565 119.706 121.223 0.079 0.000 2.828 87 L HA 0.662 5.003 4.340 0.002 0.000 0.264 87 L C -0.198 176.719 176.870 0.079 0.000 1.106 87 L CA -0.906 53.970 54.840 0.060 0.000 0.955 87 L CB 0.499 42.588 42.059 0.050 0.000 1.558 87 L HN 0.733 nan 8.230 nan 0.000 0.386 88 T N -2.894 111.702 114.554 0.070 0.000 2.899 88 T HA 0.279 4.630 4.350 0.002 0.000 0.295 88 T C 0.832 175.626 174.700 0.157 0.000 1.033 88 T CA 0.202 62.360 62.100 0.098 0.000 1.084 88 T CB 0.407 69.315 68.868 0.066 0.000 0.979 88 T HN 0.644 nan 8.240 nan 0.000 0.532 89 Y N 1.286 121.632 120.300 0.075 0.000 2.207 89 Y HA -0.130 4.422 4.550 0.002 0.000 0.287 89 Y C 2.458 178.426 175.900 0.112 0.000 1.156 89 Y CA 2.219 60.392 58.100 0.122 0.000 1.182 89 Y CB -0.361 38.150 38.460 0.085 0.000 0.979 89 Y HN 0.898 nan 8.280 nan 0.000 0.521 90 E N 0.607 120.847 120.200 0.067 0.000 2.058 90 E HA -0.231 4.120 4.350 0.002 0.000 0.194 90 E C 1.984 178.521 176.600 -0.105 0.000 0.997 90 E CA 2.156 58.529 56.400 -0.045 0.000 0.801 90 E CB -0.293 29.422 29.700 0.024 0.000 0.746 90 E HN 0.662 nan 8.360 nan 0.000 0.450 91 E N -0.827 119.351 120.200 -0.036 0.000 2.058 91 E HA -0.191 4.160 4.350 0.002 0.000 0.194 91 E C 1.913 178.477 176.600 -0.059 0.000 0.997 91 E CA 1.238 57.617 56.400 -0.036 0.000 0.801 91 E CB -0.370 29.336 29.700 0.009 0.000 0.746 91 E HN 0.347 nan 8.360 nan 0.000 0.450 92 F N 1.347 121.193 119.950 -0.173 0.000 2.075 92 F HA -0.184 4.344 4.527 0.002 0.000 0.297 92 F C 2.136 177.780 175.800 -0.260 0.000 1.113 92 F CA 0.984 58.863 58.000 -0.202 0.000 1.218 92 F CB -0.399 38.484 39.000 -0.194 0.000 0.984 92 F HN -0.079 nan 8.300 nan 0.000 0.472 93 I N 0.898 120.980 120.570 -0.813 0.000 2.361 93 I HA -0.217 3.954 4.170 0.002 0.000 0.251 93 I C 2.629 178.429 176.117 -0.528 0.000 1.133 93 I CA 1.333 62.121 61.300 -0.854 0.000 1.413 93 I CB -0.688 36.867 38.000 -0.742 0.000 1.073 93 I HN 0.177 nan 8.210 nan 0.000 0.424 94 R N -0.376 119.907 120.500 -0.363 0.000 2.189 94 R HA -0.088 4.254 4.340 0.002 0.000 0.218 94 R C 2.301 178.461 176.300 -0.233 0.000 1.074 94 R CA 1.275 57.232 56.100 -0.238 0.000 0.991 94 R CB -0.093 30.113 30.300 -0.156 0.000 0.883 94 R HN 0.524 nan 8.270 nan 0.000 0.457 95 S N -0.800 114.730 115.700 -0.283 0.000 2.496 95 S HA 0.059 4.530 4.470 0.002 0.000 0.224 95 S C 0.715 175.162 174.600 -0.255 0.000 0.996 95 S CA -0.231 57.833 58.200 -0.226 0.000 0.927 95 S CB 0.132 63.229 63.200 -0.172 0.000 0.774 95 S HN -0.016 nan 8.310 nan 0.000 0.524 96 V N 3.783 123.470 119.914 -0.378 0.000 2.572 96 V HA 0.186 4.308 4.120 0.002 0.000 0.291 96 V C 0.597 176.573 176.094 -0.196 0.000 1.039 96 V CA 0.006 62.118 62.300 -0.313 0.000 1.055 96 V CB 0.264 31.826 31.823 -0.435 0.000 0.969 96 V HN 0.525 nan 8.190 nan 0.000 0.482 97 M N 5.402 124.928 119.600 -0.123 0.000 2.245 97 M HA 0.338 4.819 4.480 0.002 0.000 0.330 97 M C -0.409 175.838 176.300 -0.088 0.000 1.098 97 M CA 0.650 55.898 55.300 -0.086 0.000 1.172 97 M CB 0.329 32.906 32.600 -0.040 0.000 1.467 97 M HN 0.428 nan 8.290 nan 0.000 0.454 98 I N 3.459 123.981 120.570 -0.081 0.000 2.411 98 I HA 0.358 4.530 4.170 0.002 0.000 0.284 98 I C -1.820 174.262 176.117 -0.058 0.000 1.012 98 I CA -1.744 59.504 61.300 -0.088 0.000 1.119 98 I CB 1.132 39.065 38.000 -0.112 0.000 1.261 98 I HN 0.541 nan 8.210 nan 0.000 0.448 99 P HA 0.521 nan 4.420 nan 0.000 0.281 99 P C -0.683 176.598 177.300 -0.032 0.000 1.281 99 P CA -0.392 62.679 63.100 -0.049 0.000 0.811 99 P CB 2.091 33.772 31.700 -0.032 0.000 1.154 100 S N -1.327 114.351 115.700 -0.037 0.000 2.752 100 S HA 0.576 5.047 4.470 0.002 0.000 0.284 100 S C -1.981 172.630 174.600 0.018 0.000 1.189 100 S CA -0.580 57.614 58.200 -0.011 0.000 0.835 100 S CB 0.601 63.791 63.200 -0.016 0.000 1.192 100 S HN 0.325 nan 8.310 nan 0.000 0.506 101 F N 2.563 122.431 119.950 -0.138 0.000 2.325 101 F HA 0.632 5.165 4.527 0.009 0.000 0.369 101 F C -0.976 174.847 175.800 0.038 0.000 1.095 101 F CA -0.973 56.950 58.000 -0.128 0.000 1.082 101 F CB 0.212 39.092 39.000 -0.201 0.000 1.289 101 F HN 0.366 nan 8.300 nan 0.000 0.462 102 I N 6.708 127.118 120.570 -0.267 0.000 2.328 102 I HA 0.311 4.482 4.170 0.002 0.000 0.287 102 I C -0.835 175.126 176.117 -0.261 0.000 1.012 102 I CA -0.888 60.313 61.300 -0.165 0.000 1.195 102 I CB 1.508 39.477 38.000 -0.052 0.000 1.350 102 I HN 0.124 nan 8.210 nan 0.000 0.464 103 V N 7.835 127.665 119.914 -0.141 0.000 2.350 103 V HA 0.338 4.460 4.120 0.002 0.000 0.276 103 V C 0.054 176.216 176.094 0.113 0.000 1.028 103 V CA -0.464 61.789 62.300 -0.077 0.000 0.860 103 V CB 1.350 33.144 31.823 -0.048 0.000 0.990 103 V HN 0.420 nan 8.190 nan 0.000 0.453 104 I N 7.444 128.051 120.570 0.061 0.000 2.325 104 I HA 0.471 4.642 4.170 0.002 0.000 0.291 104 I C -0.113 176.066 176.117 0.103 0.000 1.019 104 I CA 0.224 61.552 61.300 0.047 0.000 1.302 104 I CB 0.387 38.383 38.000 -0.008 0.000 1.401 104 I HN 0.608 nan 8.210 nan 0.000 0.485 105 F N 3.375 123.273 119.950 -0.088 0.000 2.640 105 F HA 0.927 5.456 4.527 0.002 0.000 0.324 105 F C -0.240 175.519 175.800 -0.068 0.000 1.077 105 F CA -0.619 57.339 58.000 -0.071 0.000 0.965 105 F CB 1.895 40.853 39.000 -0.071 0.000 1.351 105 F HN 0.365 nan 8.300 nan 0.000 0.487 106 T N -0.714 113.894 114.554 0.090 0.000 2.647 106 T HA 0.807 5.158 4.350 0.002 0.000 0.295 106 T C -1.143 173.716 174.700 0.265 0.000 1.126 106 T CA -0.368 61.768 62.100 0.061 0.000 1.040 106 T CB 1.481 70.363 68.868 0.024 0.000 1.472 106 T HN 1.431 nan 8.240 nan 0.000 0.500 107 G N 0.248 109.169 108.800 0.201 0.000 2.718 107 G HA2 0.492 4.453 3.960 0.002 0.000 0.295 107 G HA3 0.492 4.453 3.960 0.002 0.000 0.295 107 G C -0.021 174.830 174.900 -0.082 0.000 1.421 107 G CA -0.189 44.916 45.100 0.008 0.000 0.902 107 G HN 0.669 nan 8.290 nan 0.000 0.501 108 D N 0.559 120.920 120.400 -0.065 0.000 2.126 108 D HA -0.235 4.407 4.640 0.002 0.000 0.190 108 D C 2.544 178.793 176.300 -0.085 0.000 1.001 108 D CA 2.020 55.990 54.000 -0.051 0.000 0.841 108 D CB -0.709 40.070 40.800 -0.035 0.000 0.949 108 D HN 0.631 nan 8.370 nan 0.000 0.446 109 V N -3.051 116.748 119.914 -0.192 0.000 3.444 109 V HA 0.118 4.239 4.120 0.002 0.000 0.271 109 V C 0.578 176.571 176.094 -0.169 0.000 1.188 109 V CA 0.299 62.481 62.300 -0.197 0.000 1.168 109 V CB -1.456 30.237 31.823 -0.216 0.000 0.810 109 V HN 0.043 nan 8.190 nan 0.000 0.500 110 F N 0.056 119.966 119.950 -0.067 0.000 2.509 110 F HA 0.738 5.266 4.527 0.002 0.000 0.334 110 F C 0.422 176.175 175.800 -0.079 0.000 1.060 110 F CA -1.123 56.814 58.000 -0.104 0.000 0.997 110 F CB 1.674 40.565 39.000 -0.181 0.000 1.271 110 F HN -0.088 nan 8.300 nan 0.000 0.488 111 E N 0.850 121.139 120.200 0.149 0.000 2.460 111 E HA 0.552 4.903 4.350 0.002 0.000 0.249 111 E C -0.392 176.197 176.600 -0.019 0.000 0.962 111 E CA -0.093 56.333 56.400 0.042 0.000 0.787 111 E CB 1.323 31.036 29.700 0.021 0.000 1.341 111 E HN 0.844 nan 8.360 nan 0.000 0.407 112 G N 1.317 110.092 108.800 -0.041 0.000 2.371 112 G HA2 0.032 3.994 3.960 0.002 0.000 0.663 112 G HA3 0.032 3.994 3.960 0.002 0.000 0.663 112 G C -0.752 174.052 174.900 -0.159 0.000 1.311 112 G CA -0.593 44.446 45.100 -0.103 0.000 0.985 112 G HN 0.377 nan 8.290 nan 0.000 0.566 113 S N -0.944 114.624 115.700 -0.219 0.000 2.704 113 S HA 0.978 5.450 4.470 0.002 0.000 0.305 113 S C 0.435 174.746 174.600 -0.481 0.000 1.107 113 S CA 0.175 58.178 58.200 -0.328 0.000 0.993 113 S CB 1.654 64.712 63.200 -0.237 0.000 1.110 113 S HN 2.027 nan 8.310 nan 0.000 0.534 114 A N 0.660 123.003 122.820 -0.795 0.000 2.532 114 A HA 0.881 5.202 4.320 0.002 0.000 0.290 114 A C -1.382 175.749 177.584 -0.755 0.000 1.143 114 A CA -0.712 50.751 52.037 -0.957 0.000 0.728 114 A CB 0.839 18.834 19.000 -1.675 0.000 1.317 114 A HN 0.708 nan 8.150 nan 0.000 0.414 115 I N 0.287 120.609 120.570 -0.413 0.000 2.509 115 I HA 0.413 4.585 4.170 0.002 0.000 0.293 115 I C -1.377 174.833 176.117 0.154 0.000 1.020 115 I CA -0.259 61.029 61.300 -0.020 0.000 1.088 115 I CB 1.984 40.042 38.000 0.097 0.000 1.267 115 I HN 0.635 nan 8.210 nan 0.000 0.430 116 F N 6.490 126.533 119.950 0.155 0.000 2.403 116 F HA 0.422 4.949 4.527 0.000 0.000 0.355 116 F C -0.264 175.587 175.800 0.085 0.000 1.119 116 F CA -0.232 57.818 58.000 0.084 0.000 1.007 116 F CB 0.845 39.828 39.000 -0.028 0.000 1.194 116 F HN 0.405 nan 8.300 nan 0.000 0.443 117 E N 8.119 128.245 120.200 -0.124 0.000 2.187 117 E HA 0.329 4.680 4.350 0.002 0.000 0.268 117 E C -1.688 174.889 176.600 -0.037 0.000 0.896 117 E CA -0.802 55.613 56.400 0.025 0.000 0.766 117 E CB 2.039 31.836 29.700 0.162 0.000 1.142 117 E HN 0.876 nan 8.360 nan 0.000 0.408 118 M N 4.936 124.641 119.600 0.176 0.000 2.259 118 M HA 0.400 4.882 4.480 0.002 0.000 0.304 118 M C -0.560 175.899 176.300 0.265 0.000 1.019 118 M CA -0.670 54.785 55.300 0.257 0.000 0.922 118 M CB 1.377 34.270 32.600 0.490 0.000 1.600 118 M HN 0.360 nan 8.290 nan 0.000 0.433 119 R N 3.768 124.407 120.500 0.231 0.000 2.623 119 R HA 0.099 4.440 4.340 0.002 0.000 0.271 119 R C 0.812 177.246 176.300 0.222 0.000 1.043 119 R CA 0.008 56.226 56.100 0.197 0.000 1.083 119 R CB 0.459 30.878 30.300 0.200 0.000 0.974 119 R HN 0.883 nan 8.270 nan 0.000 0.436 120 L N 2.009 123.327 121.223 0.158 0.000 2.131 120 L HA -0.247 4.094 4.340 0.002 0.000 0.210 120 L C 2.013 179.095 176.870 0.352 0.000 1.092 120 L CA 1.375 56.310 54.840 0.158 0.000 0.759 120 L CB -0.487 41.659 42.059 0.145 0.000 0.903 120 L HN 0.707 nan 8.230 nan 0.000 0.435 121 D N 0.253 120.836 120.400 0.305 0.000 2.144 121 D HA -0.242 4.400 4.640 0.002 0.000 0.199 121 D C 2.105 178.702 176.300 0.494 0.000 0.984 121 D CA 1.084 55.290 54.000 0.343 0.000 0.834 121 D CB -0.449 40.440 40.800 0.147 0.000 0.955 121 D HN 0.263 nan 8.370 nan 0.000 0.465 122 L N -0.633 120.888 121.223 0.495 0.000 2.072 122 L HA 0.087 4.428 4.340 0.002 0.000 0.205 122 L C 2.298 179.380 176.870 0.353 0.000 1.079 122 L CA 1.086 56.261 54.840 0.557 0.000 0.752 122 L CB -0.939 41.418 42.059 0.497 0.000 0.906 122 L HN 0.017 nan 8.230 nan 0.000 0.436 123 F N -0.494 119.527 119.950 0.118 0.000 2.065 123 F HA -0.342 4.183 4.527 -0.003 0.000 0.298 123 F C 2.082 177.811 175.800 -0.118 0.000 1.112 123 F CA 2.064 60.007 58.000 -0.095 0.000 1.212 123 F CB -0.480 38.332 39.000 -0.313 0.000 0.975 123 F HN 0.148 nan 8.300 nan 0.000 0.476 124 Y N 0.419 120.927 120.300 0.347 0.000 2.293 124 Y HA -0.143 4.413 4.550 0.010 0.000 0.291 124 Y C 2.680 178.623 175.900 0.072 0.000 1.137 124 Y CA 1.653 59.861 58.100 0.181 0.000 1.202 124 Y CB -1.328 37.275 38.460 0.239 0.000 0.990 124 Y HN 0.052 nan 8.280 nan 0.000 0.537 125 T N -0.093 114.627 114.554 0.278 0.000 2.737 125 T HA -0.212 4.140 4.350 0.002 0.000 0.265 125 T C 2.063 176.800 174.700 0.062 0.000 1.038 125 T CA 1.406 63.620 62.100 0.189 0.000 1.144 125 T CB -0.309 68.687 68.868 0.213 0.000 0.866 125 T HN 0.276 nan 8.240 nan 0.000 0.434 126 M N 0.216 119.822 119.600 0.010 0.000 2.086 126 M HA -0.064 4.417 4.480 0.002 0.000 0.261 126 M C 2.277 178.482 176.300 -0.159 0.000 1.067 126 M CA 1.439 56.673 55.300 -0.109 0.000 1.116 126 M CB -0.363 32.171 32.600 -0.110 0.000 1.348 126 M HN 0.198 nan 8.290 nan 0.000 0.407 127 L N 0.782 121.870 121.223 -0.226 0.000 2.012 127 L HA -0.271 4.071 4.340 0.002 0.000 0.210 127 L C 2.111 178.919 176.870 -0.103 0.000 1.073 127 L CA 2.115 56.815 54.840 -0.233 0.000 0.748 127 L CB -0.941 40.907 42.059 -0.352 0.000 0.891 127 L HN 0.378 nan 8.230 nan 0.000 0.431 128 D N -0.538 119.842 120.400 -0.033 0.000 2.116 128 D HA -0.230 4.411 4.640 0.002 0.000 0.193 128 D C 2.090 178.369 176.300 -0.035 0.000 0.998 128 D CA 1.793 55.791 54.000 -0.003 0.000 0.836 128 D CB 0.149 40.974 40.800 0.043 0.000 0.951 128 D HN 0.356 nan 8.370 nan 0.000 0.449 129 I N 1.481 122.014 120.570 -0.061 0.000 2.202 129 I HA -0.229 3.942 4.170 0.002 0.000 0.242 129 I C 2.550 178.604 176.117 -0.105 0.000 1.091 129 I CA 0.541 61.785 61.300 -0.093 0.000 1.368 129 I CB -1.053 36.856 38.000 -0.153 0.000 1.058 129 I HN 0.147 nan 8.210 nan 0.000 0.410 130 I N 0.393 120.892 120.570 -0.119 0.000 2.286 130 I HA -0.248 3.923 4.170 0.002 0.000 0.248 130 I C 2.434 178.501 176.117 -0.082 0.000 1.115 130 I CA 1.446 62.678 61.300 -0.113 0.000 1.392 130 I CB -0.853 37.074 38.000 -0.122 0.000 1.065 130 I HN 0.203 nan 8.210 nan 0.000 0.418 131 M N -0.333 119.225 119.600 -0.070 0.000 2.388 131 M HA 0.179 4.661 4.480 0.002 0.000 0.265 131 M C 1.418 177.695 176.300 -0.038 0.000 1.088 131 M CA 0.805 56.077 55.300 -0.047 0.000 1.134 131 M CB -1.185 31.393 32.600 -0.036 0.000 1.384 131 M HN 0.378 nan 8.290 nan 0.000 0.447 132 G N 1.407 110.183 108.800 -0.041 0.000 2.289 132 G HA2 -0.102 3.860 3.960 0.002 0.000 0.280 132 G HA3 -0.102 3.860 3.960 0.002 0.000 0.280 132 G C 0.355 175.244 174.900 -0.018 0.000 1.089 132 G CA 0.032 45.113 45.100 -0.032 0.000 0.939 132 G HN 0.716 nan 8.290 nan 0.000 0.499 139 P HA -0.003 nan 4.420 nan 0.000 0.242 139 P C 0.611 177.773 177.300 -0.230 0.000 1.197 139 P CA 1.145 64.037 63.100 -0.348 0.000 0.765 139 P CB -0.334 31.107 31.700 -0.432 0.000 0.936 140 N N -0.218 118.396 118.700 -0.142 0.000 2.866 140 N HA -0.319 4.422 4.740 0.002 0.000 0.228 140 N C 0.631 176.174 175.510 0.056 0.000 0.811 140 N CA 1.725 54.787 53.050 0.020 0.000 1.212 140 N CB -1.614 36.873 38.487 0.001 0.000 0.982 140 N HN 0.327 nan 8.380 nan 0.000 0.623 141 R N 1.796 122.301 120.500 0.009 0.000 2.726 141 R HA 0.298 4.639 4.340 0.002 0.000 0.272 141 R C -2.344 174.031 176.300 0.124 0.000 1.097 141 R CA -0.697 55.428 56.100 0.040 0.000 1.198 141 R CB -0.542 29.764 30.300 0.010 0.000 1.114 141 R HN 0.239 nan 8.270 nan 0.000 0.550 142 P HA 0.139 nan 4.420 nan 0.000 0.271 142 P C -2.369 175.013 177.300 0.136 0.000 1.216 142 P CA -1.125 62.023 63.100 0.082 0.000 0.776 142 P CB 0.020 31.742 31.700 0.036 0.000 0.881 143 P HA 0.012 nan 4.420 nan 0.000 0.271 143 P C 0.342 177.720 177.300 0.129 0.000 1.218 143 P CA 0.232 63.404 63.100 0.119 0.000 0.780 143 P CB 0.231 31.788 31.700 -0.240 0.000 0.901 144 T N -1.359 113.296 114.554 0.169 0.000 2.754 144 T HA 0.075 4.426 4.350 0.002 0.000 0.286 144 T C 1.245 176.024 174.700 0.132 0.000 0.997 144 T CA -0.092 62.086 62.100 0.131 0.000 0.982 144 T CB 0.523 69.464 68.868 0.121 0.000 1.027 144 T HN 0.308 nan 8.240 nan 0.000 0.529 145 E N -0.152 120.113 120.200 0.109 0.000 2.150 145 E HA -0.004 4.348 4.350 0.002 0.000 0.193 145 E C 1.796 178.462 176.600 0.110 0.000 0.985 145 E CA 0.986 57.451 56.400 0.109 0.000 0.814 145 E CB -0.553 29.198 29.700 0.085 0.000 0.752 145 E HN 0.722 nan 8.360 nan 0.000 0.466 146 I N 0.377 121.005 120.570 0.097 0.000 2.252 146 I HA -0.218 3.953 4.170 0.002 0.000 0.245 146 I C 2.053 178.224 176.117 0.091 0.000 1.102 146 I CA 1.197 62.546 61.300 0.082 0.000 1.385 146 I CB -0.181 37.860 38.000 0.067 0.000 1.064 146 I HN 0.135 nan 8.210 nan 0.000 0.414 147 E N 0.281 120.557 120.200 0.126 0.000 2.072 147 E HA -0.203 4.149 4.350 0.002 0.000 0.191 147 E C 2.198 178.898 176.600 0.167 0.000 0.985 147 E CA 1.993 58.479 56.400 0.142 0.000 0.801 147 E CB -0.175 29.687 29.700 0.269 0.000 0.750 147 E HN 0.596 nan 8.360 nan 0.000 0.452 148 T N -1.212 113.479 114.554 0.228 0.000 2.821 148 T HA -0.083 4.268 4.350 0.002 0.000 0.267 148 T C 2.184 177.024 174.700 0.235 0.000 1.046 148 T CA 1.319 63.595 62.100 0.294 0.000 1.139 148 T CB -0.229 68.870 68.868 0.384 0.000 0.871 148 T HN -0.089 nan 8.240 nan 0.000 0.454 149 S N 1.465 117.258 115.700 0.156 0.000 2.368 149 S HA 0.071 4.543 4.470 0.002 0.000 0.225 149 S C 1.990 176.634 174.600 0.073 0.000 1.030 149 S CA 1.252 59.520 58.200 0.112 0.000 0.999 149 S CB -0.505 62.744 63.200 0.082 0.000 0.844 149 S HN 0.499 nan 8.310 nan 0.000 0.459 150 I N 1.140 121.732 120.570 0.037 0.000 2.226 150 I HA -0.165 4.006 4.170 0.002 0.000 0.245 150 I C 2.154 178.249 176.117 -0.038 0.000 1.100 150 I CA 1.001 62.295 61.300 -0.010 0.000 1.374 150 I CB -0.256 37.717 38.000 -0.044 0.000 1.057 150 I HN 0.290 nan 8.210 nan 0.000 0.413 151 M N -0.219 119.334 119.600 -0.079 0.000 2.476 151 M HA -0.094 4.387 4.480 0.002 0.000 0.262 151 M C 2.218 178.574 176.300 0.094 0.000 1.079 151 M CA 1.154 56.382 55.300 -0.121 0.000 1.104 151 M CB -1.170 31.151 32.600 -0.464 0.000 1.409 151 M HN 0.198 nan 8.290 nan 0.000 0.467 152 R N 0.780 121.383 120.500 0.170 0.000 2.096 152 R HA -0.134 4.207 4.340 0.002 0.000 0.235 152 R C 2.007 178.347 176.300 0.067 0.000 1.127 152 R CA 1.361 57.572 56.100 0.186 0.000 0.968 152 R CB 0.130 30.530 30.300 0.166 0.000 0.861 152 R HN 0.294 nan 8.270 nan 0.000 0.440 153 K N -0.032 120.394 120.400 0.043 0.000 2.057 153 K HA -0.132 4.189 4.320 0.002 0.000 0.207 153 K C 1.974 178.581 176.600 0.012 0.000 1.049 153 K CA 1.335 57.632 56.287 0.018 0.000 0.931 153 K CB 0.020 32.531 32.500 0.020 0.000 0.714 153 K HN 0.168 nan 8.250 nan 0.000 0.440 154 E N 0.641 120.859 120.200 0.030 0.000 2.047 154 E HA -0.138 4.213 4.350 0.002 0.000 0.191 154 E C 2.229 178.805 176.600 -0.041 0.000 0.987 154 E CA 0.948 57.388 56.400 0.066 0.000 0.799 154 E CB -0.383 29.369 29.700 0.085 0.000 0.752 154 E HN 0.058 nan 8.360 nan 0.000 0.449 155 V N 1.535 121.412 119.914 -0.061 0.000 2.332 155 V HA -0.243 3.879 4.120 0.002 0.000 0.248 155 V C 2.398 178.266 176.094 -0.377 0.000 1.055 155 V CA 2.139 64.261 62.300 -0.297 0.000 1.038 155 V CB -0.916 30.783 31.823 -0.206 0.000 0.651 155 V HN 0.281 nan 8.190 nan 0.000 0.450 156 T N 0.298 114.724 114.554 -0.213 0.000 2.720 156 T HA -0.188 4.164 4.350 0.002 0.000 0.268 156 T C 1.839 176.409 174.700 -0.216 0.000 1.037 156 T CA 1.716 63.699 62.100 -0.195 0.000 1.144 156 T CB -0.382 68.427 68.868 -0.098 0.000 0.864 156 T HN 0.436 nan 8.240 nan 0.000 0.444 157 N N 1.027 119.604 118.700 -0.206 0.000 2.120 157 N HA 0.051 4.793 4.740 0.002 0.000 0.188 157 N C 1.846 177.113 175.510 -0.404 0.000 1.024 157 N CA 1.102 53.991 53.050 -0.269 0.000 0.852 157 N CB -0.356 37.983 38.487 -0.246 0.000 1.003 157 N HN 0.424 nan 8.380 nan 0.000 0.424 158 M N 0.095 119.429 119.600 -0.444 0.000 2.175 158 M HA -0.039 4.442 4.480 0.002 0.000 0.264 158 M C 1.889 178.107 176.300 -0.135 0.000 1.063 158 M CA 1.021 56.165 55.300 -0.259 0.000 1.119 158 M CB -0.223 32.318 32.600 -0.099 0.000 1.377 158 M HN 0.065 nan 8.290 nan 0.000 0.415 159 L N -0.643 120.359 121.223 -0.368 0.000 2.141 159 L HA -0.150 4.191 4.340 0.002 0.000 0.209 159 L C 2.417 179.121 176.870 -0.277 0.000 1.094 159 L CA 1.092 55.686 54.840 -0.410 0.000 0.763 159 L CB -0.825 40.883 42.059 -0.585 0.000 0.908 159 L HN 0.305 nan 8.230 nan 0.000 0.437 160 T N 0.214 114.629 114.554 -0.231 0.000 2.821 160 T HA -0.114 4.238 4.350 0.002 0.000 0.267 160 T C 1.959 176.604 174.700 -0.093 0.000 1.046 160 T CA 1.036 63.021 62.100 -0.191 0.000 1.139 160 T CB -0.140 68.649 68.868 -0.132 0.000 0.871 160 T HN 0.203 nan 8.240 nan 0.000 0.454 161 L N 0.380 121.598 121.223 -0.009 0.000 2.093 161 L HA -0.023 4.319 4.340 0.002 0.000 0.208 161 L C 2.420 179.449 176.870 0.264 0.000 1.085 161 L CA 0.614 55.547 54.840 0.155 0.000 0.755 161 L CB -0.565 41.623 42.059 0.215 0.000 0.904 161 L HN 0.225 nan 8.230 nan 0.000 0.435 162 L N 0.488 121.780 121.223 0.114 0.000 2.017 162 L HA -0.140 4.202 4.340 0.002 0.000 0.208 162 L C 2.672 179.614 176.870 0.120 0.000 1.073 162 L CA 2.066 56.861 54.840 -0.075 0.000 0.745 162 L CB -0.772 41.080 42.059 -0.345 0.000 0.894 162 L HN 0.134 nan 8.230 nan 0.000 0.432 163 A N -1.129 121.559 122.820 -0.219 0.000 1.940 163 A HA -0.270 4.051 4.320 0.002 0.000 0.219 163 A C 2.182 179.778 177.584 0.020 0.000 1.176 163 A CA 1.898 53.571 52.037 -0.607 0.000 0.631 163 A CB -0.614 17.611 19.000 -1.291 0.000 0.814 163 A HN 0.688 nan 8.150 nan 0.000 0.446 164 Q N -0.802 119.082 119.800 0.141 0.000 2.124 164 Q HA -0.108 4.233 4.340 0.002 0.000 0.202 164 Q C 2.385 178.555 176.000 0.283 0.000 0.977 164 Q CA 1.290 57.248 55.803 0.259 0.000 0.850 164 Q CB -0.372 28.474 28.738 0.179 0.000 0.901 164 Q HN 0.702 nan 8.270 nan 0.000 0.429 165 A N -0.155 122.856 122.820 0.319 0.000 1.969 165 A HA -0.151 4.171 4.320 0.002 0.000 0.218 165 A C 1.162 178.947 177.584 0.335 0.000 1.169 165 A CA 0.813 53.034 52.037 0.308 0.000 0.635 165 A CB -0.669 18.531 19.000 0.334 0.000 0.810 165 A HN 0.470 nan 8.150 nan 0.000 0.445 166 W N 0.513 121.943 121.300 0.217 0.000 3.180 166 W HA 0.159 4.821 4.660 0.002 0.000 0.254 166 W C 2.260 179.001 176.519 0.370 0.000 1.318 166 W CA 0.372 57.909 57.345 0.321 0.000 1.608 166 W CB -0.425 29.269 29.460 0.390 0.000 1.124 166 W HN 0.253 nan 8.180 nan 0.000 0.694 167 S N 0.603 116.595 115.700 0.485 0.000 2.389 167 S HA -0.263 4.209 4.470 0.002 0.000 0.229 167 S C 1.292 175.971 174.600 0.132 0.000 1.048 167 S CA 2.105 60.498 58.200 0.323 0.000 1.117 167 S CB -0.458 62.805 63.200 0.104 0.000 1.020 167 S HN 0.265 nan 8.310 nan 0.000 0.430 168 D N -0.268 120.095 120.400 -0.061 0.000 2.350 168 D HA 0.024 4.665 4.640 0.002 0.000 0.216 168 D C 1.226 177.160 176.300 -0.610 0.000 0.968 168 D CA 0.758 54.507 54.000 -0.420 0.000 0.894 168 D CB -0.099 40.269 40.800 -0.719 0.000 0.909 168 D HN 0.450 nan 8.370 nan 0.000 0.520 169 F N -0.559 119.436 119.950 0.075 0.000 2.490 169 F HA 0.205 4.733 4.527 0.002 0.000 0.280 169 F C 0.880 176.789 175.800 0.182 0.000 1.030 169 F CA -0.322 57.712 58.000 0.058 0.000 1.367 169 F CB 0.479 39.428 39.000 -0.085 0.000 1.131 169 F HN -0.280 nan 8.300 nan 0.000 0.632 170 Q N -0.058 120.056 119.800 0.524 0.000 3.737 170 Q HA 0.163 4.504 4.340 0.002 0.000 0.182 170 Q C -1.669 174.664 176.000 0.555 0.000 0.855 170 Q CA -0.345 55.752 55.803 0.490 0.000 0.781 170 Q CB -0.214 28.849 28.738 0.541 0.000 1.464 170 Q HN 0.276 nan 8.270 nan 0.000 0.462 171 Y N 3.792 124.257 120.300 0.275 0.000 2.511 171 Y HA 0.442 4.993 4.550 0.002 0.000 0.332 171 Y C -0.760 175.237 175.900 0.161 0.000 1.177 171 Y CA 0.146 58.360 58.100 0.190 0.000 1.422 171 Y CB 0.329 38.831 38.460 0.070 0.000 1.271 171 Y HN 0.441 nan 8.280 nan 0.000 0.550 172 F N 4.049 123.534 119.950 -0.776 0.000 2.662 172 F HA 0.679 5.207 4.527 0.002 0.000 0.312 172 F C -1.945 173.428 175.800 -0.712 0.000 1.113 172 F CA -1.671 55.928 58.000 -0.668 0.000 0.951 172 F CB 0.976 39.565 39.000 -0.686 0.000 1.344 172 F HN 0.166 nan 8.300 nan 0.000 0.462 173 I N 3.852 124.257 120.570 -0.274 0.000 2.328 173 I HA 0.337 4.509 4.170 0.002 0.000 0.287 173 I C -2.276 173.871 176.117 0.051 0.000 1.012 173 I CA -2.157 59.006 61.300 -0.228 0.000 1.195 173 I CB 1.816 39.749 38.000 -0.112 0.000 1.350 173 I HN 0.360 nan 8.210 nan 0.000 0.464 174 P HA 0.046 nan 4.420 nan 0.000 0.271 174 P C -0.626 176.752 177.300 0.129 0.000 1.216 174 P CA -0.181 63.072 63.100 0.255 0.000 0.776 174 P CB 1.439 33.193 31.700 0.090 0.000 0.881 175 S N 2.891 118.705 115.700 0.189 0.000 2.672 175 S HA 0.445 4.917 4.470 0.002 0.000 0.291 175 S C -0.378 174.306 174.600 0.140 0.000 1.145 175 S CA -0.822 57.446 58.200 0.113 0.000 1.013 175 S CB 0.094 63.348 63.200 0.089 0.000 1.017 175 S HN 0.244 nan 8.310 nan 0.000 0.487 176 I N 5.113 125.735 120.570 0.086 0.000 2.379 176 I HA 0.194 4.365 4.170 0.002 0.000 0.290 176 I C 1.157 177.311 176.117 0.062 0.000 1.063 176 I CA 0.032 61.383 61.300 0.085 0.000 1.351 176 I CB 0.988 39.009 38.000 0.034 0.000 1.410 176 I HN 0.796 nan 8.210 nan 0.000 0.505 177 E N 4.189 124.425 120.200 0.060 0.000 2.140 177 E HA 0.086 4.437 4.350 0.002 0.000 0.191 177 E C 0.440 177.053 176.600 0.021 0.000 0.973 177 E CA 0.496 56.914 56.400 0.030 0.000 0.829 177 E CB 0.389 30.096 29.700 0.011 0.000 0.781 177 E HN 0.563 nan 8.360 nan 0.000 0.466 178 N N -0.443 118.269 118.700 0.019 0.000 2.859 178 N HA 0.205 4.946 4.740 0.002 0.000 0.250 178 N C -1.955 173.549 175.510 -0.010 0.000 1.341 178 N CA -0.271 52.785 53.050 0.010 0.000 0.881 178 N CB 2.498 40.989 38.487 0.007 0.000 1.516 178 N HN -0.212 nan 8.380 nan 0.000 0.503 179 V N 2.031 121.936 119.914 -0.015 0.000 2.487 179 V HA 0.494 4.615 4.120 0.002 0.000 0.298 179 V C -0.588 175.485 176.094 -0.034 0.000 1.028 179 V CA -0.615 61.639 62.300 -0.077 0.000 0.860 179 V CB 1.713 33.510 31.823 -0.044 0.000 0.991 179 V HN 0.528 nan 8.190 nan 0.000 0.427 180 E N 1.948 122.109 120.200 -0.066 0.000 2.312 180 E HA 0.478 4.829 4.350 0.002 0.000 0.267 180 E C 0.307 176.894 176.600 -0.022 0.000 0.894 180 E CA -0.296 56.106 56.400 0.003 0.000 0.773 180 E CB 2.454 32.180 29.700 0.043 0.000 1.241 180 E HN 0.771 nan 8.360 nan 0.000 0.432 181 T N -2.320 112.240 114.554 0.010 0.000 2.985 181 T HA 0.133 4.485 4.350 0.002 0.000 0.254 181 T C 0.393 175.056 174.700 -0.061 0.000 1.021 181 T CA -0.227 61.865 62.100 -0.013 0.000 0.957 181 T CB 0.185 69.056 68.868 0.006 0.000 1.047 181 T HN 0.139 nan 8.240 nan 0.000 0.511 182 N N 2.346 120.994 118.700 -0.086 0.000 2.483 182 N HA 0.351 5.093 4.740 0.002 0.000 0.267 182 N C -2.104 173.327 175.510 -0.131 0.000 0.998 182 N CA -2.399 50.537 53.050 -0.191 0.000 0.918 182 N CB 2.553 40.771 38.487 -0.448 0.000 1.215 182 N HN -0.074 nan 8.380 nan 0.000 0.500 183 P HA -0.156 nan 4.420 nan 0.000 0.219 183 P C 0.573 177.827 177.300 -0.076 0.000 1.146 183 P CA 1.213 64.240 63.100 -0.123 0.000 0.808 183 P CB 0.552 32.125 31.700 -0.212 0.000 0.779 184 Q N -1.955 117.784 119.800 -0.103 0.000 2.437 184 Q HA -0.050 4.291 4.340 0.002 0.000 0.210 184 Q C 1.194 177.311 176.000 0.194 0.000 0.972 184 Q CA 0.697 56.485 55.803 -0.025 0.000 0.903 184 Q CB -0.298 28.385 28.738 -0.091 0.000 0.967 184 Q HN 0.262 nan 8.270 nan 0.000 0.486 185 F N -0.468 119.470 119.950 -0.020 0.000 2.727 185 F HA 0.129 4.657 4.527 0.003 0.000 0.302 185 F C 0.419 176.227 175.800 0.012 0.000 1.097 185 F CA -0.453 57.545 58.000 -0.004 0.000 1.330 185 F CB 0.687 39.682 39.000 -0.008 0.000 1.084 185 F HN -0.301 nan 8.300 nan 0.000 0.578 186 V N 1.385 121.423 119.914 0.205 0.000 2.328 186 V HA 0.398 4.520 4.120 0.002 0.000 0.278 186 V C -0.285 175.961 176.094 0.253 0.000 1.021 186 V CA -0.374 62.030 62.300 0.174 0.000 0.838 186 V CB 1.384 33.291 31.823 0.141 0.000 0.999 186 V HN 0.014 nan 8.190 nan 0.000 0.447 187 Q N 4.027 123.948 119.800 0.201 0.000 3.484 187 Q HA 0.382 4.723 4.340 0.002 0.000 0.255 187 Q C 0.541 176.508 176.000 -0.055 0.000 0.909 187 Q CA -0.213 55.707 55.803 0.196 0.000 0.774 187 Q CB 0.817 29.638 28.738 0.138 0.000 1.431 187 Q HN 0.832 nan 8.270 nan 0.000 0.423 188 I N -1.311 119.161 120.570 -0.164 0.000 2.493 188 I HA 0.054 4.225 4.170 0.002 0.000 0.254 188 I C 0.608 176.522 176.117 -0.337 0.000 1.160 188 I CA 0.476 61.636 61.300 -0.233 0.000 1.445 188 I CB -0.108 37.778 38.000 -0.190 0.000 1.086 188 I HN 0.187 nan 8.210 nan 0.000 0.433 189 V N -4.185 115.378 119.914 -0.585 0.000 3.181 189 V HA 0.672 4.794 4.120 0.002 0.000 0.308 189 V C -2.957 172.920 176.094 -0.360 0.000 1.214 189 V CA -2.362 59.687 62.300 -0.419 0.000 1.053 189 V CB 1.053 32.643 31.823 -0.389 0.000 1.069 189 V HN -0.198 nan 8.190 nan 0.000 0.441 190 P HA 0.269 nan 4.420 nan 0.000 0.267 190 P C -2.264 175.052 177.300 0.026 0.000 1.200 190 P CA -0.734 62.334 63.100 -0.054 0.000 0.772 190 P CB 0.121 31.803 31.700 -0.030 0.000 0.855 191 P HA -0.211 nan 4.420 nan 0.000 0.215 191 P C 1.096 178.481 177.300 0.142 0.000 1.157 191 P CA 1.631 64.844 63.100 0.188 0.000 0.874 191 P CB -0.346 31.422 31.700 0.112 0.000 0.790 192 N N -0.089 118.655 118.700 0.073 0.000 2.512 192 N HA -0.117 4.624 4.740 0.002 0.000 0.183 192 N C 0.541 176.072 175.510 0.035 0.000 1.073 192 N CA 0.428 53.505 53.050 0.044 0.000 0.911 192 N CB -0.669 37.826 38.487 0.014 0.000 0.964 192 N HN 0.257 nan 8.380 nan 0.000 0.447 193 E N 0.601 120.830 120.200 0.049 0.000 2.413 193 E HA 0.031 4.382 4.350 0.002 0.000 0.263 193 E C -0.099 176.540 176.600 0.064 0.000 1.015 193 E CA -0.493 55.927 56.400 0.034 0.000 0.916 193 E CB 0.603 30.319 29.700 0.026 0.000 0.947 193 E HN 0.052 nan 8.360 nan 0.000 0.440 194 I N 4.581 125.154 120.570 0.004 0.000 2.638 194 I HA 0.095 4.267 4.170 0.002 0.000 0.286 194 I C 0.304 176.522 176.117 0.168 0.000 1.088 194 I CA -0.135 61.180 61.300 0.026 0.000 1.397 194 I CB 0.739 38.642 38.000 -0.162 0.000 1.414 194 I HN 0.369 nan 8.210 nan 0.000 0.566 195 V N 4.695 124.737 119.914 0.213 0.000 2.925 195 V HA 0.544 4.665 4.120 0.002 0.000 0.311 195 V C -0.778 175.459 176.094 0.238 0.000 1.104 195 V CA -1.137 61.314 62.300 0.251 0.000 0.954 195 V CB 2.045 33.963 31.823 0.158 0.000 1.022 195 V HN 0.523 nan 8.190 nan 0.000 0.427 196 L N 4.482 125.837 121.223 0.219 0.000 2.278 196 L HA 0.673 5.015 4.340 0.002 0.000 0.287 196 L C -0.618 176.199 176.870 -0.088 0.000 1.072 196 L CA -0.109 54.708 54.840 -0.038 0.000 0.819 196 L CB 0.928 42.720 42.059 -0.445 0.000 1.176 196 L HN 0.838 nan 8.230 nan 0.000 0.435 197 L N 6.569 127.720 121.223 -0.121 0.000 2.280 197 L HA 0.543 4.884 4.340 0.002 0.000 0.287 197 L C -0.904 175.875 176.870 -0.152 0.000 1.023 197 L CA -0.141 54.579 54.840 -0.200 0.000 0.819 197 L CB 1.567 43.505 42.059 -0.203 0.000 1.212 197 L HN 0.425 nan 8.230 nan 0.000 0.420 198 V N 4.313 124.128 119.914 -0.165 0.000 2.370 198 V HA 0.476 4.598 4.120 0.002 0.000 0.279 198 V C 0.103 176.188 176.094 -0.015 0.000 1.029 198 V CA -0.389 61.852 62.300 -0.098 0.000 0.870 198 V CB 1.422 33.147 31.823 -0.163 0.000 0.984 198 V HN 0.824 nan 8.190 nan 0.000 0.451 199 T N 4.701 119.281 114.554 0.043 0.000 2.770 199 T HA 0.625 4.976 4.350 0.002 0.000 0.283 199 T C 0.073 174.884 174.700 0.185 0.000 0.988 199 T CA -0.260 61.897 62.100 0.095 0.000 0.957 199 T CB 1.395 70.294 68.868 0.052 0.000 0.930 199 T HN 0.820 nan 8.240 nan 0.000 0.443 200 A N 2.893 125.848 122.820 0.225 0.000 2.273 200 A HA 0.615 4.936 4.320 0.002 0.000 0.320 200 A C 0.536 178.259 177.584 0.232 0.000 1.358 200 A CA -0.637 51.526 52.037 0.210 0.000 0.910 200 A CB 0.465 19.573 19.000 0.181 0.000 1.159 200 A HN 0.661 nan 8.150 nan 0.000 0.526 201 S N 2.685 118.503 115.700 0.196 0.000 2.422 201 S HA 0.405 4.877 4.470 0.002 0.000 0.283 201 S C -0.186 174.376 174.600 -0.064 0.000 1.163 201 S CA -0.283 57.924 58.200 0.011 0.000 1.054 201 S CB -0.301 62.942 63.200 0.072 0.000 0.967 201 S HN 0.590 nan 8.310 nan 0.000 0.499 202 V N 5.849 125.692 119.914 -0.118 0.000 2.394 202 V HA 0.709 4.830 4.120 0.002 0.000 0.282 202 V C 0.068 176.180 176.094 0.031 0.000 1.031 202 V CA -0.482 61.836 62.300 0.029 0.000 0.881 202 V CB 1.218 33.142 31.823 0.167 0.000 0.982 202 V HN 0.975 nan 8.190 nan 0.000 0.451 203 S N 3.922 119.666 115.700 0.074 0.000 2.537 203 S HA 0.873 5.344 4.470 0.002 0.000 0.270 203 S C -1.555 173.131 174.600 0.144 0.000 1.142 203 S CA -0.867 57.356 58.200 0.038 0.000 0.870 203 S CB 1.975 65.133 63.200 -0.070 0.000 1.112 203 S HN 1.211 nan 8.310 nan 0.000 0.466 204 W N 0.366 121.646 121.300 -0.033 0.000 3.573 204 W HA 0.708 5.366 4.660 -0.005 0.000 0.306 204 W C 0.311 176.830 176.519 -0.001 0.000 1.227 204 W CA -0.220 57.068 57.345 -0.097 0.000 1.212 204 W CB 0.221 29.581 29.460 -0.167 0.000 1.331 204 W HN 1.731 nan 8.180 nan 0.000 0.524 205 G N 2.416 111.309 108.800 0.155 0.000 2.591 205 G HA2 -0.371 3.590 3.960 0.002 0.000 0.298 205 G HA3 -0.371 3.590 3.960 0.002 0.000 0.298 205 G C 0.498 175.396 174.900 -0.002 0.000 1.195 205 G CA 0.971 46.123 45.100 0.086 0.000 0.989 205 G HN 0.861 nan 8.290 nan 0.000 0.551 206 E N -0.106 120.074 120.200 -0.034 0.000 2.501 206 E HA 0.348 4.700 4.350 0.002 0.000 0.201 206 E C 0.263 176.797 176.600 -0.109 0.000 1.016 206 E CA -0.393 55.974 56.400 -0.055 0.000 0.920 206 E CB 0.435 30.117 29.700 -0.030 0.000 1.023 206 E HN 0.340 nan 8.360 nan 0.000 0.474 207 F N 1.296 121.000 119.950 -0.409 0.000 2.394 207 F HA 0.313 4.839 4.527 -0.000 0.000 0.340 207 F C -0.407 175.054 175.800 -0.565 0.000 1.105 207 F CA 0.061 57.724 58.000 -0.561 0.000 1.124 207 F CB 1.194 39.617 39.000 -0.961 0.000 1.145 207 F HN -0.318 nan 8.300 nan 0.000 0.505 208 T N 4.803 118.920 114.554 -0.729 0.000 2.971 208 T HA 0.446 4.797 4.350 0.002 0.000 0.304 208 T C -1.042 173.137 174.700 -0.869 0.000 1.038 208 T CA -0.632 61.129 62.100 -0.564 0.000 1.007 208 T CB 1.682 70.311 68.868 -0.398 0.000 1.055 208 T HN 0.678 nan 8.240 nan 0.000 0.451 209 S N 1.517 116.810 115.700 -0.679 0.000 2.880 209 S HA 0.934 5.405 4.470 0.002 0.000 0.308 209 S C -1.965 172.184 174.600 -0.752 0.000 1.195 209 S CA -0.608 57.234 58.200 -0.597 0.000 0.866 209 S CB 0.862 63.950 63.200 -0.186 0.000 1.254 209 S HN 0.466 nan 8.310 nan 0.000 0.571 210 F N 0.488 120.475 119.950 0.061 0.000 2.626 210 F HA 0.688 5.216 4.527 0.002 0.000 0.311 210 F C -0.505 175.338 175.800 0.071 0.000 1.088 210 F CA -0.692 57.346 58.000 0.065 0.000 0.949 210 F CB 1.619 40.638 39.000 0.032 0.000 1.322 210 F HN 0.336 nan 8.300 nan 0.000 0.461 211 I N 2.252 122.967 120.570 0.242 0.000 2.499 211 I HA 0.325 4.496 4.170 0.002 0.000 0.288 211 I C -1.201 174.923 176.117 0.011 0.000 1.048 211 I CA -0.632 60.689 61.300 0.034 0.000 1.062 211 I CB 1.916 39.908 38.000 -0.014 0.000 1.238 211 I HN 0.540 nan 8.210 nan 0.000 0.426 212 N N 5.352 123.994 118.700 -0.096 0.000 2.284 212 N HA 0.517 5.259 4.740 0.002 0.000 0.300 212 N C -1.211 174.167 175.510 -0.220 0.000 1.047 212 N CA -0.439 52.559 53.050 -0.086 0.000 0.821 212 N CB 3.248 41.749 38.487 0.023 0.000 1.337 212 N HN 0.134 nan 8.380 nan 0.000 0.482 213 V N 1.524 121.309 119.914 -0.215 0.000 2.378 213 V HA 0.243 4.365 4.120 0.002 0.000 0.288 213 V C -0.033 175.793 176.094 -0.446 0.000 1.016 213 V CA -0.842 61.288 62.300 -0.282 0.000 0.840 213 V CB 1.499 33.216 31.823 -0.177 0.000 0.994 213 V HN 0.748 nan 8.190 nan 0.000 0.431 214 C N 6.775 125.743 119.300 -0.553 0.000 2.223 214 C HA 0.595 5.056 4.460 0.002 0.000 0.324 214 C C -0.531 174.187 174.990 -0.454 0.000 1.196 214 C CA -0.794 57.881 59.018 -0.571 0.000 1.628 214 C CB -0.928 26.363 27.740 -0.750 0.000 2.229 214 C HN 0.910 nan 8.230 nan 0.000 0.486 215 W N 7.735 128.885 121.300 -0.250 0.000 2.282 215 W HA 0.362 5.025 4.660 0.004 0.000 0.322 215 W C -2.188 174.253 176.519 -0.130 0.000 1.011 215 W CA -2.545 54.645 57.345 -0.259 0.000 1.392 215 W CB 0.680 29.973 29.460 -0.278 0.000 1.215 215 W HN 0.580 nan 8.180 nan 0.000 0.394 216 P HA -0.103 nan 4.420 nan 0.000 0.268 216 P C 0.753 178.159 177.300 0.176 0.000 1.205 216 P CA 0.029 63.189 63.100 0.100 0.000 0.771 216 P CB 0.605 32.279 31.700 -0.044 0.000 0.858 217 F N 3.283 123.270 119.950 0.062 0.000 2.126 217 F HA -0.264 4.264 4.527 0.002 0.000 0.299 217 F C 2.167 177.925 175.800 -0.070 0.000 1.096 217 F CA 2.505 60.459 58.000 -0.078 0.000 1.255 217 F CB -0.744 38.075 39.000 -0.302 0.000 0.997 217 F HN 0.308 nan 8.300 nan 0.000 0.479 218 S N 0.103 115.746 115.700 -0.095 0.000 2.399 218 S HA -0.217 4.255 4.470 0.002 0.000 0.231 218 S C 1.940 176.430 174.600 -0.183 0.000 1.022 218 S CA 1.292 59.395 58.200 -0.161 0.000 0.983 218 S CB -1.073 62.092 63.200 -0.059 0.000 0.803 218 S HN 0.433 nan 8.310 nan 0.000 0.480 219 L N 0.363 121.493 121.223 -0.156 0.000 2.072 219 L HA 0.304 4.645 4.340 0.002 0.000 0.205 219 L C 1.851 178.620 176.870 -0.167 0.000 1.079 219 L CA 1.432 56.164 54.840 -0.180 0.000 0.752 219 L CB -0.683 41.222 42.059 -0.256 0.000 0.906 219 L HN 0.254 nan 8.230 nan 0.000 0.436 220 L N -0.468 120.675 121.223 -0.133 0.000 2.492 220 L HA 0.047 4.389 4.340 0.002 0.000 0.223 220 L C 2.286 179.124 176.870 -0.054 0.000 1.132 220 L CA 0.831 55.662 54.840 -0.014 0.000 0.850 220 L CB -0.887 41.269 42.059 0.161 0.000 0.966 220 L HN 0.328 nan 8.230 nan 0.000 0.454 221 E N 0.570 120.572 120.200 -0.330 0.000 2.048 221 E HA -0.240 4.111 4.350 0.002 0.000 0.202 221 E C -0.513 176.014 176.600 -0.122 0.000 1.021 221 E CA 2.026 58.184 56.400 -0.403 0.000 0.825 221 E CB -0.895 28.501 29.700 -0.507 0.000 0.756 221 E HN 0.372 nan 8.360 nan 0.000 0.454 222 P HA -0.171 nan 4.420 nan 0.000 0.216 222 P C 1.722 179.060 177.300 0.064 0.000 1.150 222 P CA 1.029 64.137 63.100 0.013 0.000 0.837 222 P CB -0.122 31.595 31.700 0.028 0.000 0.786 223 L N -0.920 120.372 121.223 0.115 0.000 2.217 223 L HA -0.025 4.316 4.340 0.002 0.000 0.211 223 L C 2.333 179.282 176.870 0.131 0.000 1.107 223 L CA 1.363 56.298 54.840 0.158 0.000 0.783 223 L CB -1.470 40.744 42.059 0.259 0.000 0.919 223 L HN -0.197 nan 8.230 nan 0.000 0.442 224 L N -0.364 120.941 121.223 0.138 0.000 2.129 224 L HA -0.193 4.148 4.340 0.002 0.000 0.212 224 L C 2.610 179.532 176.870 0.085 0.000 1.087 224 L CA 1.068 55.994 54.840 0.143 0.000 0.757 224 L CB -0.641 41.506 42.059 0.147 0.000 0.896 224 L HN 0.393 nan 8.230 nan 0.000 0.434 225 E N 0.644 120.882 120.200 0.062 0.000 2.001 225 E HA -0.065 4.287 4.350 0.002 0.000 0.193 225 E C 0.694 177.323 176.600 0.049 0.000 0.994 225 E CA 1.328 57.757 56.400 0.048 0.000 0.815 225 E CB -0.022 29.700 29.700 0.037 0.000 0.770 225 E HN 0.387 nan 8.360 nan 0.000 0.453 226 K N 0.000 120.433 120.400 0.056 0.000 2.780 226 K HA 0.000 4.321 4.320 0.002 0.000 0.191 226 K CA 0.000 56.319 56.287 0.054 0.000 0.838 226 K CB 0.000 32.526 32.500 0.044 0.000 1.064 226 K HN 0.000 nan 8.250 nan 0.000 0.543