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 1xai_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLQTTYPSN NYPIYVEHGA IKYIGTYLNQ FDQSFLLIDE YVNQYFANKF DATA SEQUENCE DDILSYENVH KVIIPAGEKT KTFEQYQETL EYILSHHVTR NTAIIAVGGG DATA SEQUENCE ATGDFAGFVA ATLLRGVHFI QVPTTILAHD SSVGGKVGIN SKQGKNLIGA DATA SEQUENCE FYRPTAVIYD LDFLKTLPFK QILSGYAEVY KHALLNGESA TQDIEQHFKD DATA SEQUENCE REILQSLNGM DKYIAKGIET KLDIVVADEK EQGVRKFLNL GHTFGHAVEY DATA SEQUENCE YHKIPHGHAV MVGIIYQFIV ANALFDSKHD ISHYIQYLIQ LGYPLDMITD DATA SEQUENCE LDFETLYQYM LSDKKNDKQG VQMVLMRQFG DIVVQHVDQL TLQHACEQLK DATA SEQUENCE TY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.392 176.300 0.154 0.000 1.140 1 M CA 0.000 55.380 55.300 0.133 0.000 0.988 1 M CB 0.000 32.654 32.600 0.091 0.000 1.302 2 K N 4.890 125.363 120.400 0.121 0.000 2.164 2 K HA 0.877 5.197 4.320 -0.000 0.000 0.258 2 K C -1.874 174.707 176.600 -0.033 0.000 0.951 2 K CA -0.556 55.761 56.287 0.050 0.000 0.844 2 K CB 1.482 34.049 32.500 0.112 0.000 1.099 2 K HN 0.801 nan 8.250 nan 0.000 0.435 3 L N 1.905 123.057 121.223 -0.117 0.000 2.277 3 L HA 0.509 4.849 4.340 -0.000 0.000 0.254 3 L C -1.076 175.690 176.870 -0.173 0.000 1.044 3 L CA -0.988 53.785 54.840 -0.112 0.000 0.842 3 L CB 2.504 44.513 42.059 -0.084 0.000 1.422 3 L HN 0.708 nan 8.230 nan 0.000 0.422 4 Q N 0.235 119.929 119.800 -0.176 0.000 2.320 4 Q HA 0.340 4.680 4.340 -0.000 0.000 0.272 4 Q C -1.342 174.483 176.000 -0.291 0.000 1.023 4 Q CA -0.674 54.993 55.803 -0.227 0.000 0.855 4 Q CB 2.295 30.941 28.738 -0.154 0.000 1.367 4 Q HN 0.696 nan 8.270 nan 0.000 0.406 5 T N 0.618 114.904 114.554 -0.446 0.000 2.853 5 T HA 0.135 4.485 4.350 -0.000 0.000 0.298 5 T C 0.809 175.282 174.700 -0.377 0.000 0.978 5 T CA -0.020 61.763 62.100 -0.529 0.000 1.152 5 T CB 0.547 68.979 68.868 -0.727 0.000 0.914 5 T HN 0.642 nan 8.240 nan 0.000 0.539 6 T N 0.887 115.201 114.554 -0.400 0.000 3.332 6 T HA 0.229 4.579 4.350 -0.000 0.000 0.246 6 T C 0.077 174.667 174.700 -0.184 0.000 0.943 6 T CA -0.704 61.250 62.100 -0.242 0.000 0.922 6 T CB -1.124 67.632 68.868 -0.187 0.000 1.086 6 T HN 0.649 nan 8.240 nan 0.000 0.590 7 Y N 1.946 122.199 120.300 -0.077 0.000 2.281 7 Y HA 0.226 4.776 4.550 -0.000 0.000 0.337 7 Y C -0.527 175.350 175.900 -0.039 0.000 1.304 7 Y CA -2.485 55.586 58.100 -0.049 0.000 1.465 7 Y CB 0.592 39.029 38.460 -0.038 0.000 1.350 7 Y HN 0.037 nan 8.280 nan 0.000 0.575 8 P HA -0.107 nan 4.420 nan 0.000 0.217 8 P C 0.062 177.394 177.300 0.054 0.000 1.150 8 P CA 1.471 64.613 63.100 0.070 0.000 0.832 8 P CB 0.293 32.021 31.700 0.047 0.000 0.787 9 S N -1.812 113.923 115.700 0.058 0.000 2.874 9 S HA 0.276 4.746 4.470 -0.000 0.000 0.318 9 S C -0.104 174.527 174.600 0.051 0.000 1.109 9 S CA -0.849 57.372 58.200 0.036 0.000 0.878 9 S CB -0.346 62.858 63.200 0.006 0.000 1.307 9 S HN -0.033 nan 8.310 nan 0.000 0.592 10 N N 2.537 121.257 118.700 0.032 0.000 3.044 10 N HA -0.139 4.601 4.740 -0.000 0.000 0.308 10 N C -0.890 174.688 175.510 0.112 0.000 1.097 10 N CA 0.757 53.835 53.050 0.046 0.000 0.828 10 N CB -1.269 37.215 38.487 -0.006 0.000 0.968 10 N HN 0.496 nan 8.380 nan 0.000 0.623 11 N N 0.925 119.699 118.700 0.122 0.000 2.477 11 N HA 0.459 5.198 4.740 -0.000 0.000 0.284 11 N C -0.207 175.387 175.510 0.140 0.000 1.182 11 N CA -0.332 52.786 53.050 0.113 0.000 0.949 11 N CB 1.089 39.586 38.487 0.016 0.000 1.204 11 N HN 0.385 nan 8.380 nan 0.000 0.526 12 Y N -1.944 118.389 120.300 0.055 0.000 2.553 12 Y HA 0.681 5.231 4.550 -0.000 0.000 0.347 12 Y C -2.949 172.926 175.900 -0.041 0.000 1.019 12 Y CA -2.318 55.797 58.100 0.025 0.000 1.032 12 Y CB 1.159 39.632 38.460 0.023 0.000 1.284 12 Y HN 0.338 nan 8.280 nan 0.000 0.466 13 P HA 0.532 nan 4.420 nan 0.000 0.282 13 P C -0.972 176.189 177.300 -0.232 0.000 1.287 13 P CA -0.413 62.556 63.100 -0.219 0.000 0.792 13 P CB 2.300 33.791 31.700 -0.347 0.000 1.163 14 I N 0.060 120.365 120.570 -0.442 0.000 2.590 14 I HA 0.216 4.386 4.170 -0.000 0.000 0.283 14 I C -1.003 174.931 176.117 -0.305 0.000 1.154 14 I CA -0.614 60.543 61.300 -0.239 0.000 1.067 14 I CB 1.312 39.281 38.000 -0.051 0.000 1.243 14 I HN 0.173 nan 8.210 nan 0.000 0.451 15 Y N 5.504 125.896 120.300 0.153 0.000 2.404 15 Y HA 0.456 5.006 4.550 -0.000 0.000 0.344 15 Y C 0.266 176.309 175.900 0.238 0.000 0.970 15 Y CA -0.952 57.269 58.100 0.202 0.000 1.180 15 Y CB 1.307 39.960 38.460 0.322 0.000 1.138 15 Y HN 0.204 nan 8.280 nan 0.000 0.510 16 V N 4.741 124.832 119.914 0.295 0.000 2.235 16 V HA 0.356 4.476 4.120 -0.000 0.000 0.266 16 V C -0.268 175.885 176.094 0.099 0.000 1.055 16 V CA -0.610 61.797 62.300 0.178 0.000 0.844 16 V CB -0.102 31.808 31.823 0.145 0.000 1.097 16 V HN 0.779 nan 8.190 nan 0.000 0.453 17 E N 0.843 121.088 120.200 0.076 0.000 2.423 17 E HA 0.496 4.846 4.350 -0.000 0.000 0.269 17 E C -0.241 176.283 176.600 -0.127 0.000 0.948 17 E CA -0.938 55.477 56.400 0.025 0.000 0.802 17 E CB 1.738 31.510 29.700 0.120 0.000 1.339 17 E HN 0.404 nan 8.360 nan 0.000 0.445 18 H N -0.244 118.795 119.070 -0.052 0.000 2.533 18 H HA 0.173 4.728 4.556 -0.000 0.000 0.271 18 H C 0.505 175.747 175.328 -0.143 0.000 1.000 18 H CA 0.563 56.552 56.048 -0.098 0.000 1.149 18 H CB 0.649 30.367 29.762 -0.073 0.000 1.375 18 H HN 0.648 nan 8.280 nan 0.000 0.582 19 G N -0.901 107.847 108.800 -0.087 0.000 4.399 19 G HA2 0.189 4.149 3.960 -0.000 0.000 0.268 19 G HA3 0.189 4.149 3.960 -0.000 0.000 0.268 19 G C 1.437 176.161 174.900 -0.293 0.000 1.038 19 G CA 0.369 45.365 45.100 -0.174 0.000 0.811 19 G HN 0.262 nan 8.290 nan 0.000 0.408 20 A N 0.832 123.517 122.820 -0.226 0.000 2.084 20 A HA -0.065 4.255 4.320 -0.000 0.000 0.221 20 A C 2.079 179.579 177.584 -0.140 0.000 1.161 20 A CA 1.045 52.955 52.037 -0.213 0.000 0.653 20 A CB -0.248 18.846 19.000 0.156 0.000 0.802 20 A HN 0.415 nan 8.150 nan 0.000 0.457 21 I N 0.366 120.881 120.570 -0.091 0.000 2.800 21 I HA -0.242 3.928 4.170 -0.000 0.000 0.266 21 I C 2.152 178.266 176.117 -0.004 0.000 1.249 21 I CA 2.063 63.383 61.300 0.032 0.000 1.458 21 I CB -0.532 37.441 38.000 -0.045 0.000 1.093 21 I HN 0.655 nan 8.210 nan 0.000 0.466 22 K N -0.607 119.692 120.400 -0.168 0.000 2.116 22 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 22 K C 1.726 178.315 176.600 -0.018 0.000 1.052 22 K CA 0.889 57.093 56.287 -0.139 0.000 0.952 22 K CB -0.753 31.594 32.500 -0.255 0.000 0.729 22 K HN 0.097 nan 8.250 nan 0.000 0.446 23 Y N 1.820 122.112 120.300 -0.014 0.000 2.736 23 Y HA -0.073 4.477 4.550 -0.000 0.000 0.298 23 Y C 1.823 177.781 175.900 0.095 0.000 1.156 23 Y CA -0.325 57.753 58.100 -0.037 0.000 1.384 23 Y CB -0.528 37.773 38.460 -0.265 0.000 0.976 23 Y HN 0.076 nan 8.280 nan 0.000 0.556 24 I N -0.786 119.917 120.570 0.222 0.000 2.162 24 I HA -0.136 4.033 4.170 -0.000 0.000 0.238 24 I C 2.613 178.876 176.117 0.244 0.000 1.076 24 I CA 1.446 62.854 61.300 0.180 0.000 1.353 24 I CB -1.609 36.478 38.000 0.145 0.000 1.063 24 I HN 0.205 nan 8.210 nan 0.000 0.408 25 G N 0.623 109.526 108.800 0.172 0.000 2.501 25 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 25 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 25 G C 1.516 176.513 174.900 0.162 0.000 1.114 25 G CA 1.380 46.559 45.100 0.131 0.000 0.757 25 G HN 0.521 nan 8.290 nan 0.000 0.559 26 T N -3.107 111.580 114.554 0.222 0.000 3.163 26 T HA 0.064 4.414 4.350 -0.000 0.000 0.260 26 T C 1.664 176.310 174.700 -0.090 0.000 1.156 26 T CA 0.790 62.928 62.100 0.062 0.000 1.072 26 T CB -0.277 68.596 68.868 0.009 0.000 0.937 26 T HN 0.364 nan 8.240 nan 0.000 0.528 27 Y N 0.140 120.434 120.300 -0.011 0.000 2.678 27 Y HA 0.463 5.013 4.550 -0.000 0.000 0.274 27 Y C 2.228 177.989 175.900 -0.231 0.000 1.114 27 Y CA -0.985 57.036 58.100 -0.131 0.000 1.274 27 Y CB -0.379 38.154 38.460 0.121 0.000 1.438 27 Y HN -0.014 nan 8.280 nan 0.000 0.493 28 L N 0.539 121.904 121.223 0.237 0.000 2.151 28 L HA -0.322 4.018 4.340 -0.000 0.000 0.219 28 L C 0.108 177.066 176.870 0.146 0.000 1.083 28 L CA 1.638 56.629 54.840 0.252 0.000 0.782 28 L CB -0.502 41.660 42.059 0.172 0.000 0.891 28 L HN 0.281 nan 8.230 nan 0.000 0.439 29 N N -0.129 118.602 118.700 0.052 0.000 3.091 29 N HA 0.157 4.897 4.740 -0.000 0.000 0.255 29 N C 0.349 175.783 175.510 -0.125 0.000 1.204 29 N CA 0.191 53.255 53.050 0.023 0.000 0.990 29 N CB 1.405 39.944 38.487 0.087 0.000 1.260 29 N HN 0.374 nan 8.380 nan 0.000 0.502 30 Q N -0.107 119.531 119.800 -0.270 0.000 1.692 30 Q HA 0.144 4.484 4.340 -0.000 0.000 0.181 30 Q C -0.886 174.908 176.000 -0.343 0.000 0.663 30 Q CA 0.130 55.679 55.803 -0.424 0.000 0.747 30 Q CB 0.768 29.027 28.738 -0.798 0.000 1.202 30 Q HN 0.201 nan 8.270 nan 0.000 0.392 31 F N 1.388 121.340 119.950 0.003 0.000 2.436 31 F HA 0.312 4.839 4.527 -0.000 0.000 0.340 31 F C 1.012 176.805 175.800 -0.010 0.000 1.113 31 F CA -1.105 56.873 58.000 -0.037 0.000 1.022 31 F CB 0.944 39.930 39.000 -0.023 0.000 1.128 31 F HN -0.141 nan 8.300 nan 0.000 0.466 32 D N 1.220 121.729 120.400 0.181 0.000 2.228 32 D HA -0.144 4.496 4.640 -0.000 0.000 0.203 32 D C 0.199 176.562 176.300 0.106 0.000 0.988 32 D CA 1.629 55.698 54.000 0.114 0.000 0.864 32 D CB 0.281 41.139 40.800 0.097 0.000 0.928 32 D HN 0.635 nan 8.370 nan 0.000 0.469 33 Q N -1.616 118.259 119.800 0.125 0.000 2.633 33 Q HA 0.467 4.807 4.340 -0.000 0.000 0.289 33 Q C -1.437 174.583 176.000 0.033 0.000 0.940 33 Q CA -0.555 55.266 55.803 0.030 0.000 0.785 33 Q CB 2.530 31.303 28.738 0.059 0.000 1.467 33 Q HN -0.227 nan 8.270 nan 0.000 0.401 34 S N 0.633 116.243 115.700 -0.151 0.000 2.575 34 S HA 0.648 5.118 4.470 -0.000 0.000 0.278 34 S C -1.714 172.685 174.600 -0.336 0.000 1.139 34 S CA -0.542 57.601 58.200 -0.095 0.000 0.954 34 S CB 0.650 63.856 63.200 0.010 0.000 1.054 34 S HN 0.391 nan 8.310 nan 0.000 0.483 35 F N 2.479 122.376 119.950 -0.088 0.000 2.427 35 F HA 0.459 4.986 4.527 -0.000 0.000 0.348 35 F C -0.079 175.694 175.800 -0.045 0.000 1.125 35 F CA -0.647 57.319 58.000 -0.058 0.000 0.989 35 F CB 1.101 40.061 39.000 -0.068 0.000 1.165 35 F HN 0.376 nan 8.300 nan 0.000 0.442 36 L N 5.705 126.955 121.223 0.046 0.000 2.282 36 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 36 L C -1.233 175.649 176.870 0.020 0.000 1.075 36 L CA -0.696 54.142 54.840 -0.003 0.000 0.839 36 L CB 0.064 42.081 42.059 -0.071 0.000 1.219 36 L HN 0.427 nan 8.230 nan 0.000 0.434 37 L N 6.856 128.097 121.223 0.031 0.000 2.281 37 L HA 0.442 4.782 4.340 -0.000 0.000 0.285 37 L C -0.197 176.681 176.870 0.014 0.000 1.074 37 L CA 0.463 55.331 54.840 0.048 0.000 0.817 37 L CB 1.122 43.230 42.059 0.081 0.000 1.168 37 L HN 0.543 nan 8.230 nan 0.000 0.434 38 I N 2.746 123.322 120.570 0.010 0.000 2.534 38 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 38 I C -0.242 175.885 176.117 0.016 0.000 1.077 38 I CA -0.663 60.636 61.300 -0.001 0.000 1.051 38 I CB 1.444 39.438 38.000 -0.010 0.000 1.234 38 I HN 0.569 nan 8.210 nan 0.000 0.425 39 D N 5.904 126.314 120.400 0.017 0.000 2.563 39 D HA -0.169 4.471 4.640 -0.000 0.000 0.229 39 D C 0.882 177.175 176.300 -0.012 0.000 1.159 39 D CA 0.812 54.807 54.000 -0.009 0.000 0.869 39 D CB 1.093 41.910 40.800 0.028 0.000 1.203 39 D HN 0.794 nan 8.370 nan 0.000 0.478 40 E N 2.535 122.659 120.200 -0.126 0.000 2.204 40 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 40 E C 1.130 177.732 176.600 0.003 0.000 0.989 40 E CA 0.958 57.282 56.400 -0.128 0.000 0.824 40 E CB -0.002 29.535 29.700 -0.273 0.000 0.756 40 E HN 0.696 nan 8.360 nan 0.000 0.477 41 Y N -0.596 119.761 120.300 0.095 0.000 2.301 41 Y HA -0.052 4.498 4.550 -0.000 0.000 0.295 41 Y C 2.401 178.448 175.900 0.245 0.000 1.119 41 Y CA 0.149 58.332 58.100 0.139 0.000 1.162 41 Y CB 0.393 38.945 38.460 0.154 0.000 1.046 41 Y HN -0.074 nan 8.280 nan 0.000 0.538 42 V N 0.726 120.879 119.914 0.398 0.000 2.469 42 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 42 V C 1.908 178.282 176.094 0.467 0.000 1.064 42 V CA 2.107 64.680 62.300 0.454 0.000 1.066 42 V CB -0.764 31.242 31.823 0.306 0.000 0.667 42 V HN 0.453 nan 8.190 nan 0.000 0.461 43 N N 0.064 118.950 118.700 0.310 0.000 2.166 43 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 43 N C 1.883 177.532 175.510 0.232 0.000 1.019 43 N CA 1.397 54.605 53.050 0.263 0.000 0.856 43 N CB -0.086 38.496 38.487 0.159 0.000 0.993 43 N HN 0.455 nan 8.380 nan 0.000 0.426 44 Q N -0.268 119.649 119.800 0.195 0.000 1.965 44 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 44 Q C 1.819 177.837 176.000 0.029 0.000 0.981 44 Q CA 1.318 57.173 55.803 0.086 0.000 0.834 44 Q CB -1.215 27.542 28.738 0.032 0.000 0.900 44 Q HN 0.464 nan 8.270 nan 0.000 0.426 45 Y N 0.621 120.867 120.300 -0.089 0.000 1.967 45 Y HA -0.252 4.298 4.550 -0.000 0.000 0.260 45 Y C 1.144 176.729 175.900 -0.524 0.000 1.181 45 Y CA 1.614 59.467 58.100 -0.412 0.000 1.097 45 Y CB -0.551 37.496 38.460 -0.689 0.000 0.934 45 Y HN 0.064 nan 8.280 nan 0.000 0.492 46 F N -0.692 119.467 119.950 0.349 0.000 2.560 46 F HA 0.437 4.964 4.527 -0.000 0.000 0.338 46 F C 1.102 177.021 175.800 0.198 0.000 1.201 46 F CA -0.182 57.959 58.000 0.236 0.000 1.291 46 F CB -0.437 38.719 39.000 0.260 0.000 1.627 46 F HN 0.028 nan 8.300 nan 0.000 0.588 47 A N 1.391 124.332 122.820 0.202 0.000 1.841 47 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 47 A C 1.949 179.635 177.584 0.170 0.000 1.199 47 A CA 2.206 54.343 52.037 0.167 0.000 0.621 47 A CB -0.493 18.561 19.000 0.089 0.000 0.835 47 A HN 0.552 nan 8.150 nan 0.000 0.445 48 N N -0.912 117.860 118.700 0.121 0.000 2.415 48 N HA 0.020 4.760 4.740 -0.000 0.000 0.176 48 N C 1.471 177.011 175.510 0.050 0.000 1.042 48 N CA 0.392 53.496 53.050 0.091 0.000 0.902 48 N CB -0.037 38.485 38.487 0.058 0.000 0.986 48 N HN 0.241 nan 8.380 nan 0.000 0.447 49 K N 0.173 120.582 120.400 0.014 0.000 2.184 49 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 49 K C -0.286 176.032 176.600 -0.471 0.000 1.048 49 K CA 1.249 57.392 56.287 -0.240 0.000 0.931 49 K CB -0.270 32.059 32.500 -0.284 0.000 0.718 49 K HN 0.262 nan 8.250 nan 0.000 0.465 50 F N 0.095 120.131 119.950 0.142 0.000 2.798 50 F HA 0.166 4.693 4.527 -0.000 0.000 0.333 50 F C 0.659 176.494 175.800 0.058 0.000 1.324 50 F CA -0.558 57.495 58.000 0.088 0.000 1.183 50 F CB 0.676 39.732 39.000 0.093 0.000 1.132 50 F HN -0.171 nan 8.300 nan 0.000 0.521 51 D N -0.366 120.121 120.400 0.144 0.000 2.422 51 D HA -0.030 4.610 4.640 -0.000 0.000 0.218 51 D C 1.482 177.822 176.300 0.066 0.000 1.047 51 D CA 0.660 54.725 54.000 0.109 0.000 0.885 51 D CB 0.127 40.981 40.800 0.089 0.000 1.035 51 D HN 0.119 nan 8.370 nan 0.000 0.502 52 D N 0.544 120.969 120.400 0.041 0.000 2.309 52 D HA -0.104 4.535 4.640 -0.000 0.000 0.212 52 D C 1.764 178.011 176.300 -0.088 0.000 0.968 52 D CA 0.677 54.679 54.000 0.004 0.000 0.882 52 D CB 0.196 40.996 40.800 -0.001 0.000 0.918 52 D HN 0.363 nan 8.370 nan 0.000 0.503 53 I N -3.022 117.491 120.570 -0.094 0.000 4.655 53 I HA 0.218 4.387 4.170 -0.000 0.000 0.333 53 I C 1.275 177.259 176.117 -0.220 0.000 1.312 53 I CA -0.073 61.056 61.300 -0.286 0.000 1.270 53 I CB -0.831 37.097 38.000 -0.121 0.000 1.318 53 I HN -0.049 nan 8.210 nan 0.000 0.456 54 L N 1.699 122.909 121.223 -0.022 0.000 2.202 54 L HA 0.143 4.483 4.340 -0.000 0.000 0.205 54 L C 1.726 178.660 176.870 0.106 0.000 1.083 54 L CA 1.105 55.974 54.840 0.049 0.000 0.790 54 L CB 0.128 42.253 42.059 0.111 0.000 0.942 54 L HN 0.317 nan 8.230 nan 0.000 0.452 55 S N -0.661 115.118 115.700 0.131 0.000 3.110 55 S HA 0.006 4.476 4.470 -0.000 0.000 0.253 55 S C 0.093 174.898 174.600 0.342 0.000 1.074 55 S CA -0.270 58.046 58.200 0.193 0.000 1.201 55 S CB -1.126 62.172 63.200 0.163 0.000 0.889 55 S HN 0.326 nan 8.310 nan 0.000 0.490 56 Y N 0.669 121.003 120.300 0.057 0.000 2.545 56 Y HA 0.273 4.822 4.550 -0.000 0.000 0.324 56 Y C 1.410 177.335 175.900 0.042 0.000 1.220 56 Y CA -1.322 56.804 58.100 0.043 0.000 1.290 56 Y CB 1.007 39.485 38.460 0.031 0.000 1.355 56 Y HN 0.184 nan 8.280 nan 0.000 0.516 57 E N -0.363 119.906 120.200 0.115 0.000 2.481 57 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 57 E C 0.421 177.056 176.600 0.059 0.000 1.047 57 E CA 0.502 56.944 56.400 0.071 0.000 0.867 57 E CB 0.115 29.814 29.700 -0.002 0.000 0.858 57 E HN 0.594 nan 8.360 nan 0.000 0.513 58 N N -0.130 118.591 118.700 0.036 0.000 2.571 58 N HA 0.042 4.782 4.740 -0.000 0.000 0.195 58 N C -0.066 175.195 175.510 -0.414 0.000 1.040 58 N CA -0.062 52.913 53.050 -0.125 0.000 0.890 58 N CB 0.853 39.337 38.487 -0.005 0.000 1.233 58 N HN -0.121 nan 8.380 nan 0.000 0.435 59 V N 2.698 122.512 119.914 -0.168 0.000 2.540 59 V HA -0.006 4.114 4.120 -0.000 0.000 0.297 59 V C -0.429 175.566 176.094 -0.165 0.000 1.024 59 V CA 0.614 62.786 62.300 -0.212 0.000 1.105 59 V CB -0.172 31.630 31.823 -0.034 0.000 0.938 59 V HN 0.277 nan 8.190 nan 0.000 0.482 60 H N 3.197 122.089 119.070 -0.297 0.000 2.589 60 H HA 0.439 4.994 4.556 -0.000 0.000 0.351 60 H C -0.256 174.998 175.328 -0.122 0.000 1.074 60 H CA -0.943 54.963 56.048 -0.237 0.000 1.203 60 H CB 1.950 31.431 29.762 -0.468 0.000 1.558 60 H HN 0.553 nan 8.280 nan 0.000 0.522 61 K N 2.985 123.445 120.400 0.101 0.000 2.258 61 K HA 0.344 4.664 4.320 -0.000 0.000 0.284 61 K C -1.144 175.493 176.600 0.060 0.000 1.051 61 K CA -0.498 55.828 56.287 0.066 0.000 0.923 61 K CB 0.732 33.273 32.500 0.069 0.000 1.046 61 K HN 0.303 nan 8.250 nan 0.000 0.474 62 V N 6.710 126.647 119.914 0.039 0.000 2.378 62 V HA 0.341 4.461 4.120 -0.000 0.000 0.288 62 V C -0.387 175.685 176.094 -0.035 0.000 1.016 62 V CA -0.822 61.457 62.300 -0.034 0.000 0.840 62 V CB 1.271 33.096 31.823 0.004 0.000 0.994 62 V HN 0.667 nan 8.190 nan 0.000 0.431 63 I N 6.728 127.255 120.570 -0.072 0.000 2.307 63 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 63 I C 0.329 176.400 176.117 -0.077 0.000 1.021 63 I CA -0.047 61.224 61.300 -0.049 0.000 1.224 63 I CB 0.875 38.855 38.000 -0.034 0.000 1.376 63 I HN 0.596 nan 8.210 nan 0.000 0.470 64 I N 4.384 124.919 120.570 -0.058 0.000 3.062 64 I HA 0.699 4.869 4.170 -0.000 0.000 0.318 64 I C -2.502 173.519 176.117 -0.160 0.000 1.026 64 I CA -2.650 58.588 61.300 -0.104 0.000 1.096 64 I CB 0.754 38.714 38.000 -0.067 0.000 1.348 64 I HN 0.193 nan 8.210 nan 0.000 0.543 65 P HA 0.090 nan 4.420 nan 0.000 0.269 65 P C -0.841 176.313 177.300 -0.243 0.000 1.215 65 P CA -0.150 62.814 63.100 -0.228 0.000 0.780 65 P CB 0.517 32.082 31.700 -0.225 0.000 0.898 66 A N 3.008 125.636 122.820 -0.319 0.000 2.515 66 A HA 0.460 4.780 4.320 -0.000 0.000 0.263 66 A C 1.291 178.774 177.584 -0.168 0.000 1.096 66 A CA 0.727 52.553 52.037 -0.352 0.000 0.769 66 A CB -1.555 16.972 19.000 -0.789 0.000 1.040 66 A HN 0.804 nan 8.150 nan 0.000 0.505 67 G N 2.360 111.105 108.800 -0.092 0.000 2.594 67 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.297 67 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.297 67 G C 0.773 175.631 174.900 -0.070 0.000 1.273 67 G CA 0.814 45.888 45.100 -0.044 0.000 0.974 67 G HN 1.016 nan 8.290 nan 0.000 0.552 68 E N 0.653 120.827 120.200 -0.043 0.000 2.448 68 E HA -0.069 4.281 4.350 -0.000 0.000 0.203 68 E C 2.192 178.751 176.600 -0.069 0.000 1.046 68 E CA 1.710 58.083 56.400 -0.046 0.000 0.871 68 E CB -0.164 29.529 29.700 -0.013 0.000 0.790 68 E HN 0.560 nan 8.360 nan 0.000 0.545 69 K N -1.634 118.709 120.400 -0.095 0.000 2.444 69 K HA 0.053 4.373 4.320 -0.000 0.000 0.193 69 K C 1.496 177.991 176.600 -0.175 0.000 1.024 69 K CA 0.778 57.000 56.287 -0.108 0.000 1.077 69 K CB 0.428 32.868 32.500 -0.100 0.000 0.833 69 K HN -0.051 nan 8.250 nan 0.000 0.517 70 T N 0.245 114.649 114.554 -0.250 0.000 2.990 70 T HA 0.090 4.440 4.350 -0.000 0.000 0.249 70 T C 0.626 174.997 174.700 -0.549 0.000 1.039 70 T CA 0.143 61.957 62.100 -0.477 0.000 1.036 70 T CB 0.220 68.733 68.868 -0.592 0.000 0.994 70 T HN -0.035 nan 8.240 nan 0.000 0.489 71 K N 3.415 123.655 120.400 -0.267 0.000 3.233 71 K HA 0.128 4.448 4.320 -0.000 0.000 0.283 71 K C 0.096 176.628 176.600 -0.113 0.000 1.209 71 K CA -0.104 56.106 56.287 -0.128 0.000 1.197 71 K CB -0.166 32.286 32.500 -0.080 0.000 1.431 71 K HN 0.461 nan 8.250 nan 0.000 0.326 72 T N -4.154 110.340 114.554 -0.100 0.000 2.907 72 T HA 0.306 4.656 4.350 -0.000 0.000 0.290 72 T C 0.815 175.544 174.700 0.048 0.000 1.066 72 T CA -0.866 61.212 62.100 -0.037 0.000 1.012 72 T CB 0.721 69.599 68.868 0.017 0.000 1.184 72 T HN -0.014 nan 8.240 nan 0.000 0.522 73 F N 0.940 120.943 119.950 0.087 0.000 2.102 73 F HA 0.053 4.579 4.527 -0.000 0.000 0.298 73 F C 2.471 178.384 175.800 0.190 0.000 1.105 73 F CA 1.616 59.703 58.000 0.146 0.000 1.239 73 F CB -0.642 38.410 39.000 0.087 0.000 0.991 73 F HN 0.651 nan 8.300 nan 0.000 0.474 74 E N -0.255 120.131 120.200 0.309 0.000 2.049 74 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 74 E C 2.053 178.750 176.600 0.162 0.000 1.007 74 E CA 1.648 58.162 56.400 0.189 0.000 0.809 74 E CB -0.465 29.302 29.700 0.111 0.000 0.749 74 E HN 0.267 nan 8.360 nan 0.000 0.450 75 Q N -0.556 119.316 119.800 0.120 0.000 2.167 75 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 75 Q C 1.860 178.038 176.000 0.297 0.000 0.970 75 Q CA 1.362 57.208 55.803 0.071 0.000 0.855 75 Q CB -0.459 28.161 28.738 -0.198 0.000 0.911 75 Q HN 0.561 nan 8.270 nan 0.000 0.438 76 Y N 0.376 120.853 120.300 0.295 0.000 2.128 76 Y HA -0.341 4.208 4.550 -0.000 0.000 0.284 76 Y C 2.411 178.398 175.900 0.145 0.000 1.154 76 Y CA 2.317 60.619 58.100 0.336 0.000 1.149 76 Y CB -0.079 38.534 38.460 0.256 0.000 0.976 76 Y HN 0.311 nan 8.280 nan 0.000 0.505 77 Q N 0.371 120.229 119.800 0.097 0.000 1.993 77 Q HA -0.285 4.055 4.340 -0.000 0.000 0.202 77 Q C 2.358 178.333 176.000 -0.040 0.000 0.984 77 Q CA 1.953 57.726 55.803 -0.050 0.000 0.837 77 Q CB -0.415 28.360 28.738 0.061 0.000 0.902 77 Q HN 0.678 nan 8.270 nan 0.000 0.423 78 E N -0.635 119.591 120.200 0.042 0.000 2.055 78 E HA -0.255 4.095 4.350 -0.000 0.000 0.209 78 E C 1.868 178.512 176.600 0.073 0.000 1.036 78 E CA 2.270 58.706 56.400 0.060 0.000 0.849 78 E CB -0.203 29.536 29.700 0.065 0.000 0.767 78 E HN 0.414 nan 8.360 nan 0.000 0.461 79 T N 1.503 116.104 114.554 0.080 0.000 2.699 79 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 79 T C 1.913 176.593 174.700 -0.033 0.000 1.036 79 T CA 1.355 63.494 62.100 0.066 0.000 1.147 79 T CB -0.230 68.755 68.868 0.196 0.000 0.862 79 T HN 0.161 nan 8.240 nan 0.000 0.446 80 L N 0.594 121.712 121.223 -0.176 0.000 2.005 80 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 80 L C 2.974 179.745 176.870 -0.165 0.000 1.072 80 L CA 1.314 55.983 54.840 -0.286 0.000 0.744 80 L CB -0.429 41.334 42.059 -0.494 0.000 0.895 80 L HN 0.212 nan 8.230 nan 0.000 0.433 81 E N -0.515 119.620 120.200 -0.107 0.000 2.058 81 E HA -0.295 4.054 4.350 -0.000 0.000 0.194 81 E C 1.959 178.557 176.600 -0.003 0.000 0.997 81 E CA 1.641 58.006 56.400 -0.058 0.000 0.801 81 E CB -0.492 29.189 29.700 -0.032 0.000 0.746 81 E HN 0.466 nan 8.360 nan 0.000 0.450 82 Y N 1.540 121.811 120.300 -0.047 0.000 2.081 82 Y HA -0.271 4.279 4.550 -0.000 0.000 0.280 82 Y C 2.173 178.111 175.900 0.064 0.000 1.163 82 Y CA 1.381 59.497 58.100 0.026 0.000 1.135 82 Y CB -0.353 38.130 38.460 0.038 0.000 0.970 82 Y HN -0.075 nan 8.280 nan 0.000 0.498 83 I N 0.548 121.207 120.570 0.148 0.000 2.069 83 I HA -0.353 3.817 4.170 -0.000 0.000 0.237 83 I C 2.580 178.592 176.117 -0.174 0.000 1.053 83 I CA 1.439 62.591 61.300 -0.247 0.000 1.311 83 I CB -1.608 36.064 38.000 -0.547 0.000 1.030 83 I HN 0.330 nan 8.210 nan 0.000 0.398 84 L N 0.597 121.727 121.223 -0.156 0.000 2.089 84 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 84 L C 2.373 179.221 176.870 -0.037 0.000 1.079 84 L CA 1.808 56.592 54.840 -0.093 0.000 0.758 84 L CB -0.876 41.126 42.059 -0.096 0.000 0.891 84 L HN 0.420 nan 8.230 nan 0.000 0.433 85 S N -1.725 113.938 115.700 -0.063 0.000 2.626 85 S HA -0.179 4.291 4.470 -0.000 0.000 0.245 85 S C 0.917 175.281 174.600 -0.392 0.000 0.973 85 S CA 0.816 58.879 58.200 -0.228 0.000 0.959 85 S CB -0.689 62.329 63.200 -0.303 0.000 0.762 85 S HN 0.541 nan 8.310 nan 0.000 0.539 86 H N 0.244 119.203 119.070 -0.185 0.000 2.486 86 H HA 0.316 4.872 4.556 -0.000 0.000 0.284 86 H C -0.315 175.036 175.328 0.038 0.000 1.103 86 H CA -0.499 55.525 56.048 -0.040 0.000 1.089 86 H CB -0.257 29.697 29.762 0.320 0.000 1.603 86 H HN 0.366 nan 8.280 nan 0.000 0.557 87 H N -0.414 118.723 119.070 0.112 0.000 2.415 87 H HA -0.143 4.413 4.556 -0.000 0.000 0.323 87 H C 0.843 176.235 175.328 0.107 0.000 1.035 87 H CA 0.687 56.779 56.048 0.074 0.000 1.098 87 H CB -2.126 27.669 29.762 0.054 0.000 1.575 87 H HN 0.381 nan 8.280 nan 0.000 0.387 88 V N -0.599 119.431 119.914 0.193 0.000 3.857 88 V HA 0.619 4.739 4.120 -0.000 0.000 0.275 88 V C 1.181 177.340 176.094 0.108 0.000 0.992 88 V CA 0.301 62.694 62.300 0.156 0.000 0.998 88 V CB 1.451 33.302 31.823 0.046 0.000 1.234 88 V HN 0.730 nan 8.190 nan 0.000 0.438 89 T N -3.085 111.519 114.554 0.083 0.000 2.841 89 T HA 0.509 4.859 4.350 -0.000 0.000 0.296 89 T C 0.394 175.125 174.700 0.051 0.000 1.166 89 T CA -0.754 61.385 62.100 0.064 0.000 1.007 89 T CB 1.781 70.693 68.868 0.072 0.000 1.253 89 T HN 0.589 nan 8.240 nan 0.000 0.511 90 R N -0.063 120.471 120.500 0.058 0.000 2.285 90 R HA 0.088 4.428 4.340 -0.000 0.000 0.213 90 R C 0.462 176.833 176.300 0.118 0.000 1.068 90 R CA 0.710 56.858 56.100 0.081 0.000 1.004 90 R CB -0.279 30.075 30.300 0.089 0.000 0.873 90 R HN 0.511 nan 8.270 nan 0.000 0.467 91 N N 0.698 119.438 118.700 0.067 0.000 3.025 91 N HA 0.076 4.816 4.740 -0.000 0.000 0.315 91 N C -1.373 174.103 175.510 -0.055 0.000 1.511 91 N CA 0.015 53.051 53.050 -0.024 0.000 1.097 91 N CB 0.729 39.233 38.487 0.028 0.000 1.395 91 N HN -0.099 nan 8.380 nan 0.000 0.511 92 T N -0.339 114.172 114.554 -0.072 0.000 2.950 92 T HA 0.825 5.175 4.350 -0.000 0.000 0.288 92 T C -0.700 173.832 174.700 -0.281 0.000 1.035 92 T CA -0.647 61.413 62.100 -0.067 0.000 1.028 92 T CB 1.725 70.631 68.868 0.063 0.000 1.109 92 T HN 0.183 nan 8.240 nan 0.000 0.514 93 A N 1.552 124.169 122.820 -0.338 0.000 2.435 93 A HA 0.784 5.104 4.320 -0.000 0.000 0.304 93 A C -1.250 176.284 177.584 -0.084 0.000 1.064 93 A CA -0.682 51.100 52.037 -0.426 0.000 0.727 93 A CB 0.959 19.300 19.000 -1.098 0.000 1.284 93 A HN 0.645 nan 8.150 nan 0.000 0.415 94 I N 2.401 122.979 120.570 0.014 0.000 2.362 94 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 94 I C -0.992 175.224 176.117 0.165 0.000 0.994 94 I CA -0.500 60.857 61.300 0.095 0.000 1.158 94 I CB 1.107 39.120 38.000 0.023 0.000 1.315 94 I HN 0.392 nan 8.210 nan 0.000 0.451 95 I N 5.773 126.394 120.570 0.084 0.000 2.306 95 I HA 0.366 4.536 4.170 -0.000 0.000 0.288 95 I C 0.665 176.787 176.117 0.009 0.000 1.036 95 I CA -0.271 61.038 61.300 0.014 0.000 1.221 95 I CB 1.298 39.266 38.000 -0.053 0.000 1.385 95 I HN 0.588 nan 8.210 nan 0.000 0.472 96 A N 6.411 129.250 122.820 0.031 0.000 2.320 96 A HA 0.694 5.014 4.320 -0.000 0.000 0.287 96 A C -0.293 177.229 177.584 -0.102 0.000 1.181 96 A CA -0.327 51.729 52.037 0.032 0.000 0.831 96 A CB 0.366 19.454 19.000 0.148 0.000 1.102 96 A HN 0.450 nan 8.150 nan 0.000 0.513 97 V N 3.110 122.944 119.914 -0.134 0.000 2.380 97 V HA 0.725 4.845 4.120 -0.000 0.000 0.272 97 V C 0.569 176.567 176.094 -0.160 0.000 1.011 97 V CA 0.536 62.696 62.300 -0.234 0.000 0.826 97 V CB 0.163 31.720 31.823 -0.444 0.000 1.040 97 V HN 1.590 nan 8.190 nan 0.000 0.441 98 G N 2.525 111.236 108.800 -0.148 0.000 2.336 98 G HA2 0.514 4.473 3.960 -0.000 0.000 0.286 98 G HA3 0.514 4.473 3.960 -0.000 0.000 0.286 98 G C 0.059 174.923 174.900 -0.061 0.000 1.269 98 G CA 0.105 45.153 45.100 -0.087 0.000 0.873 98 G HN 0.839 nan 8.290 nan 0.000 0.494 99 G N -0.901 107.893 108.800 -0.011 0.000 2.447 99 G HA2 0.464 4.424 3.960 -0.000 0.000 0.269 99 G HA3 0.464 4.424 3.960 -0.000 0.000 0.269 99 G C 1.457 176.356 174.900 -0.002 0.000 1.455 99 G CA 0.784 45.886 45.100 0.004 0.000 1.061 99 G HN 1.670 nan 8.290 nan 0.000 0.545 100 G N -0.767 108.037 108.800 0.006 0.000 2.430 100 G HA2 0.178 4.138 3.960 -0.000 0.000 0.216 100 G HA3 0.178 4.138 3.960 -0.000 0.000 0.216 100 G C 1.894 176.793 174.900 -0.001 0.000 1.146 100 G CA 1.585 46.681 45.100 -0.006 0.000 0.793 100 G HN 0.845 nan 8.290 nan 0.000 0.537 101 A N 1.233 124.053 122.820 0.001 0.000 1.855 101 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 101 A C 2.666 180.282 177.584 0.054 0.000 1.191 101 A CA 2.743 54.782 52.037 0.004 0.000 0.613 101 A CB -1.256 17.735 19.000 -0.015 0.000 0.829 101 A HN 0.501 nan 8.150 nan 0.000 0.442 102 T N -2.554 112.032 114.554 0.054 0.000 2.929 102 T HA 0.037 4.387 4.350 -0.000 0.000 0.271 102 T C 1.767 176.561 174.700 0.157 0.000 1.085 102 T CA 1.544 63.711 62.100 0.112 0.000 1.125 102 T CB -0.672 68.235 68.868 0.065 0.000 0.874 102 T HN 0.423 nan 8.240 nan 0.000 0.494 103 G N 1.409 110.274 108.800 0.107 0.000 2.394 103 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 103 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 103 G C 1.312 176.319 174.900 0.178 0.000 1.176 103 G CA 0.717 45.905 45.100 0.148 0.000 0.786 103 G HN 0.424 nan 8.290 nan 0.000 0.533 104 D N 0.036 120.492 120.400 0.093 0.000 2.097 104 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 104 D C 1.946 178.277 176.300 0.051 0.000 0.989 104 D CA 0.534 54.554 54.000 0.034 0.000 0.827 104 D CB -0.378 40.404 40.800 -0.031 0.000 0.966 104 D HN 0.235 nan 8.370 nan 0.000 0.456 105 F N 1.807 121.738 119.950 -0.032 0.000 2.031 105 F HA -0.157 4.370 4.527 -0.000 0.000 0.295 105 F C 2.264 178.051 175.800 -0.023 0.000 1.133 105 F CA 1.798 59.796 58.000 -0.002 0.000 1.188 105 F CB -0.786 38.210 39.000 -0.006 0.000 0.974 105 F HN -0.040 nan 8.300 nan 0.000 0.473 106 A N 0.302 123.003 122.820 -0.199 0.000 1.958 106 A HA -0.161 4.159 4.320 -0.000 0.000 0.221 106 A C 2.458 179.645 177.584 -0.661 0.000 1.178 106 A CA 1.975 53.803 52.037 -0.349 0.000 0.642 106 A CB -1.904 17.114 19.000 0.030 0.000 0.816 106 A HN 0.604 nan 8.150 nan 0.000 0.453 107 G N -1.824 106.586 108.800 -0.650 0.000 2.408 107 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.217 107 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.217 107 G C 1.370 175.876 174.900 -0.658 0.000 1.150 107 G CA 1.050 45.444 45.100 -1.178 0.000 0.776 107 G HN 0.474 nan 8.290 nan 0.000 0.542 108 F N 1.208 120.834 119.950 -0.541 0.000 2.325 108 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 108 F C 2.469 178.049 175.800 -0.366 0.000 1.090 108 F CA 0.228 57.976 58.000 -0.420 0.000 1.392 108 F CB -0.129 38.661 39.000 -0.348 0.000 1.053 108 F HN 0.001 nan 8.300 nan 0.000 0.521 109 V N 0.276 119.881 119.914 -0.515 0.000 2.255 109 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 109 V C 2.775 178.523 176.094 -0.577 0.000 1.038 109 V CA 1.775 63.729 62.300 -0.578 0.000 1.008 109 V CB -1.506 29.901 31.823 -0.694 0.000 0.645 109 V HN 0.356 nan 8.190 nan 0.000 0.449 110 A N 0.125 122.558 122.820 -0.645 0.000 1.908 110 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 110 A C 2.339 179.461 177.584 -0.771 0.000 1.181 110 A CA 2.226 53.898 52.037 -0.610 0.000 0.627 110 A CB -0.831 17.752 19.000 -0.695 0.000 0.818 110 A HN 0.615 nan 8.150 nan 0.000 0.445 111 A N -0.842 121.367 122.820 -1.020 0.000 2.121 111 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 111 A C 2.126 179.276 177.584 -0.724 0.000 1.154 111 A CA 2.189 53.381 52.037 -1.408 0.000 0.679 111 A CB -0.749 17.701 19.000 -0.916 0.000 0.795 111 A HN 0.821 nan 8.150 nan 0.000 0.458 112 T N -3.886 110.341 114.554 -0.546 0.000 2.975 112 T HA 0.352 4.702 4.350 -0.000 0.000 0.257 112 T C 0.343 174.862 174.700 -0.301 0.000 1.003 112 T CA -0.248 61.629 62.100 -0.371 0.000 0.932 112 T CB -0.370 68.256 68.868 -0.403 0.000 1.087 112 T HN 0.124 nan 8.240 nan 0.000 0.512 113 L N 3.950 124.971 121.223 -0.336 0.000 2.477 113 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 113 L C 0.523 177.293 176.870 -0.167 0.000 1.157 113 L CA -0.037 54.645 54.840 -0.264 0.000 0.889 113 L CB -0.525 41.366 42.059 -0.280 0.000 1.158 113 L HN 0.379 nan 8.230 nan 0.000 0.473 114 L N 5.661 126.808 121.223 -0.127 0.000 3.781 114 L HA -0.378 3.962 4.340 -0.000 0.000 0.426 114 L C 0.999 177.840 176.870 -0.048 0.000 1.197 114 L CA 0.551 55.350 54.840 -0.068 0.000 0.907 114 L CB -1.709 40.327 42.059 -0.039 0.000 1.812 114 L HN 0.914 nan 8.230 nan 0.000 0.956 115 R N -2.588 117.869 120.500 -0.072 0.000 3.936 115 R HA -0.120 4.220 4.340 -0.000 0.000 0.366 115 R C 0.669 176.959 176.300 -0.017 0.000 1.158 115 R CA 0.896 56.970 56.100 -0.043 0.000 0.969 115 R CB -1.928 28.368 30.300 -0.007 0.000 1.504 115 R HN 1.146 nan 8.270 nan 0.000 0.538 116 G N -0.797 107.964 108.800 -0.065 0.000 3.162 116 G HA2 0.236 4.196 3.960 -0.000 0.000 0.599 116 G HA3 0.236 4.196 3.960 -0.000 0.000 0.599 116 G C -0.414 174.543 174.900 0.094 0.000 1.335 116 G CA -0.414 44.687 45.100 0.002 0.000 1.091 116 G HN 0.677 nan 8.290 nan 0.000 0.570 117 V N -0.053 119.899 119.914 0.063 0.000 3.344 117 V HA 0.928 5.048 4.120 -0.000 0.000 0.301 117 V C 0.228 176.476 176.094 0.256 0.000 1.286 117 V CA -1.343 61.057 62.300 0.167 0.000 1.028 117 V CB 1.149 32.994 31.823 0.037 0.000 1.223 117 V HN 0.854 nan 8.190 nan 0.000 0.478 118 H N 0.349 119.422 119.070 0.005 0.000 2.548 118 H HA 0.588 5.144 4.556 -0.000 0.000 0.331 118 H C -1.063 174.316 175.328 0.085 0.000 1.093 118 H CA -0.493 55.558 56.048 0.004 0.000 1.367 118 H CB 0.921 30.506 29.762 -0.295 0.000 1.455 118 H HN 0.694 nan 8.280 nan 0.000 0.519 119 F N 3.500 123.475 119.950 0.042 0.000 2.460 119 F HA 0.386 4.913 4.527 -0.000 0.000 0.341 119 F C -1.248 174.528 175.800 -0.040 0.000 1.130 119 F CA -1.232 56.767 58.000 -0.002 0.000 0.962 119 F CB 0.705 39.745 39.000 0.066 0.000 1.171 119 F HN 0.319 nan 8.300 nan 0.000 0.436 120 I N 5.867 126.322 120.570 -0.192 0.000 2.359 120 I HA 0.212 4.382 4.170 -0.000 0.000 0.284 120 I C -0.366 175.443 176.117 -0.513 0.000 1.018 120 I CA -0.766 60.336 61.300 -0.331 0.000 1.173 120 I CB 1.329 39.243 38.000 -0.143 0.000 1.326 120 I HN 0.477 nan 8.210 nan 0.000 0.462 121 Q N 5.223 124.645 119.800 -0.630 0.000 2.295 121 Q HA 0.357 4.697 4.340 -0.000 0.000 0.259 121 Q C -0.487 175.380 176.000 -0.222 0.000 0.976 121 Q CA -0.079 55.427 55.803 -0.496 0.000 0.923 121 Q CB 2.055 30.511 28.738 -0.470 0.000 1.185 121 Q HN 0.391 nan 8.270 nan 0.000 0.410 122 V N 5.277 125.094 119.914 -0.162 0.000 2.361 122 V HA 0.188 4.308 4.120 -0.000 0.000 0.252 122 V C -2.095 173.949 176.094 -0.084 0.000 0.986 122 V CA -1.449 60.817 62.300 -0.057 0.000 1.033 122 V CB 0.800 32.583 31.823 -0.067 0.000 1.282 122 V HN 0.586 nan 8.190 nan 0.000 0.514 123 P HA 0.098 nan 4.420 nan 0.000 0.267 123 P C 0.580 177.855 177.300 -0.041 0.000 1.200 123 P CA 0.570 63.588 63.100 -0.136 0.000 0.772 123 P CB 1.019 32.501 31.700 -0.363 0.000 0.855 124 T N -2.635 111.853 114.554 -0.110 0.000 3.209 124 T HA 0.205 4.555 4.350 -0.000 0.000 0.295 124 T C 0.333 175.083 174.700 0.083 0.000 0.977 124 T CA -0.171 61.816 62.100 -0.188 0.000 0.922 124 T CB -0.190 68.297 68.868 -0.634 0.000 1.152 124 T HN 0.464 nan 8.240 nan 0.000 0.527 125 T N -0.099 114.547 114.554 0.153 0.000 2.864 125 T HA 0.664 5.013 4.350 -0.000 0.000 0.289 125 T C 0.764 175.638 174.700 0.289 0.000 1.082 125 T CA -0.802 61.407 62.100 0.182 0.000 1.009 125 T CB 1.272 70.205 68.868 0.109 0.000 1.234 125 T HN 0.112 nan 8.240 nan 0.000 0.526 126 I N 1.234 121.957 120.570 0.255 0.000 2.406 126 I HA 0.050 4.220 4.170 -0.000 0.000 0.249 126 I C 2.346 178.668 176.117 0.342 0.000 1.122 126 I CA 0.776 62.250 61.300 0.291 0.000 1.431 126 I CB -0.128 37.979 38.000 0.179 0.000 1.087 126 I HN 0.508 nan 8.210 nan 0.000 0.424 127 L N 1.116 122.498 121.223 0.266 0.000 2.191 127 L HA -0.122 4.217 4.340 -0.000 0.000 0.212 127 L C 2.432 179.428 176.870 0.210 0.000 1.103 127 L CA 1.282 56.290 54.840 0.281 0.000 0.769 127 L CB -0.205 41.979 42.059 0.207 0.000 0.908 127 L HN 0.197 nan 8.230 nan 0.000 0.438 128 A N -0.971 121.912 122.820 0.105 0.000 2.239 128 A HA -0.159 4.161 4.320 -0.000 0.000 0.209 128 A C 1.925 179.378 177.584 -0.218 0.000 1.171 128 A CA 0.774 52.771 52.037 -0.067 0.000 0.768 128 A CB -0.972 17.954 19.000 -0.123 0.000 0.790 128 A HN 0.801 nan 8.150 nan 0.000 0.478 129 H N -0.929 118.049 119.070 -0.154 0.000 2.502 129 H HA -0.065 4.491 4.556 -0.000 0.000 0.283 129 H C 1.272 176.630 175.328 0.049 0.000 1.015 129 H CA 1.515 57.502 56.048 -0.101 0.000 1.298 129 H CB -0.065 29.880 29.762 0.305 0.000 1.411 129 H HN 0.501 nan 8.280 nan 0.000 0.556 130 D N 1.410 121.471 120.400 -0.565 0.000 2.394 130 D HA -0.139 4.501 4.640 -0.000 0.000 0.237 130 D C 2.444 178.668 176.300 -0.127 0.000 1.028 130 D CA 2.311 56.075 54.000 -0.393 0.000 0.937 130 D CB -0.302 40.340 40.800 -0.263 0.000 1.072 130 D HN 0.307 nan 8.370 nan 0.000 0.457 131 S N -0.261 115.398 115.700 -0.069 0.000 2.440 131 S HA -0.192 4.277 4.470 -0.000 0.000 0.240 131 S C 1.960 176.527 174.600 -0.055 0.000 1.014 131 S CA 1.643 59.819 58.200 -0.040 0.000 0.980 131 S CB -0.968 62.216 63.200 -0.027 0.000 0.775 131 S HN 0.326 nan 8.310 nan 0.000 0.499 132 S N -0.005 115.634 115.700 -0.103 0.000 2.562 132 S HA 0.302 4.772 4.470 -0.000 0.000 0.221 132 S C 0.370 174.928 174.600 -0.070 0.000 0.975 132 S CA -0.255 57.874 58.200 -0.118 0.000 0.918 132 S CB -0.295 62.786 63.200 -0.197 0.000 0.772 132 S HN 0.341 nan 8.310 nan 0.000 0.531 133 V N 0.673 120.575 119.914 -0.019 0.000 2.555 133 V HA 0.774 4.894 4.120 -0.000 0.000 0.302 133 V C 1.073 177.230 176.094 0.104 0.000 1.038 133 V CA -0.075 62.270 62.300 0.074 0.000 0.887 133 V CB 0.797 32.658 31.823 0.064 0.000 0.991 133 V HN 0.449 nan 8.190 nan 0.000 0.434 134 G N 2.330 111.256 108.800 0.210 0.000 2.278 134 G HA2 0.115 4.075 3.960 -0.000 0.000 0.210 134 G HA3 0.115 4.075 3.960 -0.000 0.000 0.210 134 G C 1.113 176.145 174.900 0.220 0.000 1.000 134 G CA 0.312 45.544 45.100 0.219 0.000 0.635 134 G HN 2.241 nan 8.290 nan 0.000 0.495 135 G N -0.189 108.691 108.800 0.133 0.000 2.179 135 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 135 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 135 G C 0.255 175.177 174.900 0.036 0.000 0.977 135 G CA 1.158 46.326 45.100 0.113 0.000 0.641 135 G HN 0.938 nan 8.290 nan 0.000 0.533 136 K N 0.844 121.207 120.400 -0.061 0.000 2.349 136 K HA 0.484 4.804 4.320 -0.000 0.000 0.289 136 K C 0.648 177.147 176.600 -0.167 0.000 1.064 136 K CA 0.300 56.431 56.287 -0.260 0.000 0.947 136 K CB 1.460 33.791 32.500 -0.281 0.000 1.007 136 K HN 0.602 nan 8.250 nan 0.000 0.478 137 V N -0.610 119.180 119.914 -0.208 0.000 3.155 137 V HA 0.985 5.104 4.120 -0.000 0.000 0.313 137 V C 0.119 176.018 176.094 -0.326 0.000 1.162 137 V CA -0.487 61.714 62.300 -0.165 0.000 1.048 137 V CB 1.725 33.495 31.823 -0.088 0.000 1.092 137 V HN 0.896 nan 8.190 nan 0.000 0.447 138 G N 0.115 108.711 108.800 -0.340 0.000 2.369 138 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 138 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 138 G C -1.376 173.263 174.900 -0.435 0.000 1.301 138 G CA -0.285 44.411 45.100 -0.674 0.000 0.913 138 G HN 1.781 nan 8.290 nan 0.000 0.540 139 I N -2.522 117.701 120.570 -0.577 0.000 3.436 139 I HA 0.716 4.886 4.170 -0.000 0.000 0.300 139 I C -0.556 175.325 176.117 -0.392 0.000 1.131 139 I CA -1.483 59.599 61.300 -0.362 0.000 1.001 139 I CB 2.078 39.859 38.000 -0.365 0.000 1.305 139 I HN 0.419 nan 8.210 nan 0.000 0.494 140 N N 0.835 119.355 118.700 -0.299 0.000 2.459 140 N HA 0.441 5.181 4.740 -0.000 0.000 0.288 140 N C -0.906 174.463 175.510 -0.235 0.000 1.186 140 N CA -0.375 52.528 53.050 -0.244 0.000 0.917 140 N CB 1.986 40.416 38.487 -0.096 0.000 1.219 140 N HN 0.722 nan 8.380 nan 0.000 0.525 141 S N -0.546 115.038 115.700 -0.193 0.000 2.759 141 S HA 0.316 4.786 4.470 -0.000 0.000 0.310 141 S C 0.743 175.330 174.600 -0.021 0.000 1.123 141 S CA -0.544 57.620 58.200 -0.060 0.000 0.959 141 S CB 1.090 64.233 63.200 -0.094 0.000 1.172 141 S HN 0.429 nan 8.310 nan 0.000 0.539 142 K N 0.322 120.757 120.400 0.058 0.000 2.366 142 K HA 0.059 4.379 4.320 -0.000 0.000 0.198 142 K C 1.561 178.183 176.600 0.037 0.000 1.044 142 K CA 0.572 56.933 56.287 0.123 0.000 0.973 142 K CB 0.037 32.598 32.500 0.101 0.000 0.767 142 K HN 0.448 nan 8.250 nan 0.000 0.475 143 Q N -0.304 119.409 119.800 -0.146 0.000 2.302 143 Q HA 0.122 4.462 4.340 -0.000 0.000 0.202 143 Q C 1.007 176.587 176.000 -0.701 0.000 0.936 143 Q CA 0.627 56.250 55.803 -0.301 0.000 0.886 143 Q CB 1.056 29.637 28.738 -0.262 0.000 0.986 143 Q HN 0.319 nan 8.270 nan 0.000 0.487 144 G N 0.180 108.485 108.800 -0.825 0.000 2.315 144 G HA2 0.145 4.104 3.960 -0.000 0.000 0.294 144 G HA3 0.145 4.104 3.960 -0.000 0.000 0.294 144 G C -1.730 172.776 174.900 -0.657 0.000 1.300 144 G CA -0.980 43.496 45.100 -1.040 0.000 0.843 144 G HN -0.029 nan 8.290 nan 0.000 0.527 145 K N 0.467 120.633 120.400 -0.389 0.000 2.270 145 K HA 0.306 4.626 4.320 -0.000 0.000 0.276 145 K C 0.224 176.610 176.600 -0.357 0.000 1.023 145 K CA 0.104 56.210 56.287 -0.301 0.000 0.955 145 K CB 0.092 32.435 32.500 -0.261 0.000 0.975 145 K HN 0.527 nan 8.250 nan 0.000 0.471 146 N N 2.797 121.307 118.700 -0.318 0.000 2.705 146 N HA -0.197 4.543 4.740 -0.000 0.000 0.255 146 N C -0.275 175.041 175.510 -0.324 0.000 1.008 146 N CA 0.466 53.319 53.050 -0.328 0.000 0.742 146 N CB -0.883 37.427 38.487 -0.296 0.000 0.906 146 N HN 0.457 nan 8.380 nan 0.000 0.541 147 L N -0.926 120.098 121.223 -0.330 0.000 2.585 147 L HA 0.363 4.703 4.340 -0.000 0.000 0.226 147 L C 0.228 176.929 176.870 -0.281 0.000 1.113 147 L CA 0.478 55.152 54.840 -0.276 0.000 0.876 147 L CB 0.297 42.206 42.059 -0.251 0.000 1.072 147 L HN 0.258 nan 8.230 nan 0.000 0.468 148 I N -1.465 118.854 120.570 -0.419 0.000 2.571 148 I HA 0.666 4.836 4.170 -0.000 0.000 0.289 148 I C 0.342 175.926 176.117 -0.889 0.000 1.115 148 I CA -0.199 60.796 61.300 -0.510 0.000 1.045 148 I CB 1.811 39.495 38.000 -0.526 0.000 1.238 148 I HN -0.006 nan 8.210 nan 0.000 0.424 149 G N 3.339 111.607 108.800 -0.886 0.000 2.392 149 G HA2 0.897 4.857 3.960 -0.000 0.000 0.260 149 G HA3 0.897 4.857 3.960 -0.000 0.000 0.260 149 G C -1.994 172.642 174.900 -0.440 0.000 1.226 149 G CA 0.160 44.572 45.100 -1.147 0.000 0.913 149 G HN 1.101 nan 8.290 nan 0.000 0.483 150 A N -1.618 121.033 122.820 -0.282 0.000 2.544 150 A HA 0.671 4.990 4.320 -0.000 0.000 0.291 150 A C -2.113 175.400 177.584 -0.118 0.000 1.055 150 A CA -0.682 51.325 52.037 -0.049 0.000 0.651 150 A CB 0.430 19.516 19.000 0.144 0.000 1.296 150 A HN 1.195 nan 8.150 nan 0.000 0.431 151 F N 0.977 120.960 119.950 0.054 0.000 2.350 151 F HA 0.547 5.073 4.527 -0.000 0.000 0.365 151 F C -0.377 175.507 175.800 0.140 0.000 1.122 151 F CA 0.329 58.367 58.000 0.065 0.000 1.139 151 F CB 0.870 39.882 39.000 0.019 0.000 1.220 151 F HN 0.488 nan 8.300 nan 0.000 0.499 152 Y N 3.591 123.950 120.300 0.098 0.000 2.322 152 Y HA 0.439 4.989 4.550 -0.000 0.000 0.324 152 Y C -0.066 175.865 175.900 0.052 0.000 1.027 152 Y CA -1.148 56.985 58.100 0.056 0.000 1.179 152 Y CB 0.884 39.346 38.460 0.004 0.000 1.136 152 Y HN 0.426 nan 8.280 nan 0.000 0.449 153 R N 7.118 127.490 120.500 -0.214 0.000 2.421 153 R HA 0.161 4.500 4.340 -0.000 0.000 0.305 153 R C -2.374 173.736 176.300 -0.316 0.000 1.039 153 R CA -1.409 54.564 56.100 -0.211 0.000 1.003 153 R CB 0.139 30.388 30.300 -0.085 0.000 0.959 153 R HN 0.424 nan 8.270 nan 0.000 0.427 154 P HA 0.017 nan 4.420 nan 0.000 0.272 154 P C 0.100 177.185 177.300 -0.359 0.000 1.223 154 P CA -0.180 62.699 63.100 -0.369 0.000 0.784 154 P CB 0.948 32.255 31.700 -0.655 0.000 0.923 155 T N 0.278 114.774 114.554 -0.096 0.000 2.788 155 T HA 0.112 4.462 4.350 -0.000 0.000 0.268 155 T C 0.875 175.666 174.700 0.151 0.000 1.044 155 T CA 1.660 63.813 62.100 0.088 0.000 1.139 155 T CB -0.198 68.827 68.868 0.262 0.000 0.867 155 T HN 0.793 nan 8.240 nan 0.000 0.454 156 A N -0.187 122.625 122.820 -0.013 0.000 2.599 156 A HA 0.605 4.925 4.320 -0.000 0.000 0.294 156 A C -1.686 175.833 177.584 -0.108 0.000 1.055 156 A CA -0.783 51.270 52.037 0.028 0.000 0.683 156 A CB 1.156 20.183 19.000 0.045 0.000 1.278 156 A HN 0.040 nan 8.150 nan 0.000 0.412 157 V N 1.211 121.112 119.914 -0.022 0.000 2.495 157 V HA 0.598 4.718 4.120 -0.000 0.000 0.298 157 V C -0.710 175.438 176.094 0.089 0.000 1.031 157 V CA -0.191 62.086 62.300 -0.038 0.000 0.871 157 V CB 1.438 33.261 31.823 0.000 0.000 0.988 157 V HN 0.646 nan 8.190 nan 0.000 0.432 158 I N 4.709 125.359 120.570 0.133 0.000 2.495 158 I HA 0.306 4.476 4.170 -0.000 0.000 0.277 158 I C -0.766 175.551 176.117 0.333 0.000 1.045 158 I CA -0.100 61.385 61.300 0.308 0.000 1.135 158 I CB 0.945 39.122 38.000 0.295 0.000 1.241 158 I HN 0.645 nan 8.210 nan 0.000 0.469 159 Y N 5.542 125.957 120.300 0.192 0.000 2.751 159 Y HA 0.212 4.762 4.550 -0.000 0.000 0.333 159 Y C 0.280 176.274 175.900 0.157 0.000 1.122 159 Y CA -1.022 57.179 58.100 0.169 0.000 1.367 159 Y CB 0.475 39.018 38.460 0.139 0.000 1.242 159 Y HN 0.476 nan 8.280 nan 0.000 0.505 160 D N 5.497 126.093 120.400 0.326 0.000 2.346 160 D HA 0.018 4.658 4.640 -0.000 0.000 0.260 160 D C 0.683 176.889 176.300 -0.156 0.000 1.252 160 D CA 0.192 54.204 54.000 0.021 0.000 0.895 160 D CB 0.920 41.666 40.800 -0.091 0.000 1.097 160 D HN 0.706 nan 8.370 nan 0.000 0.489 161 L N 2.873 123.841 121.223 -0.426 0.000 2.633 161 L HA -0.054 4.286 4.340 -0.000 0.000 0.235 161 L C 1.060 177.705 176.870 -0.374 0.000 1.163 161 L CA 0.329 54.803 54.840 -0.610 0.000 0.859 161 L CB -0.099 41.344 42.059 -1.026 0.000 0.973 161 L HN 0.284 nan 8.230 nan 0.000 0.451 162 D N -0.758 119.490 120.400 -0.254 0.000 2.348 162 D HA -0.042 4.598 4.640 -0.000 0.000 0.211 162 D C 1.661 177.893 176.300 -0.113 0.000 0.998 162 D CA 0.683 54.621 54.000 -0.104 0.000 0.873 162 D CB 0.122 40.807 40.800 -0.191 0.000 0.925 162 D HN 0.153 nan 8.370 nan 0.000 0.524 163 F N 0.343 120.295 119.950 0.004 0.000 2.661 163 F HA 0.091 4.618 4.527 -0.000 0.000 0.298 163 F C 1.852 177.707 175.800 0.091 0.000 1.137 163 F CA 0.393 58.413 58.000 0.032 0.000 1.454 163 F CB -0.283 38.694 39.000 -0.038 0.000 1.103 163 F HN -0.000 nan 8.300 nan 0.000 0.577 164 L N -0.482 120.871 121.223 0.218 0.000 2.395 164 L HA -0.106 4.234 4.340 -0.000 0.000 0.218 164 L C 1.814 178.781 176.870 0.161 0.000 1.130 164 L CA 0.873 55.819 54.840 0.178 0.000 0.826 164 L CB -0.656 41.483 42.059 0.132 0.000 0.941 164 L HN 0.084 nan 8.230 nan 0.000 0.451 165 K N 0.116 120.612 120.400 0.159 0.000 2.504 165 K HA -0.024 4.296 4.320 -0.000 0.000 0.195 165 K C 1.189 177.874 176.600 0.142 0.000 1.036 165 K CA 1.193 57.563 56.287 0.138 0.000 0.984 165 K CB -0.054 32.518 32.500 0.120 0.000 0.788 165 K HN 0.375 nan 8.250 nan 0.000 0.488 166 T N -1.149 113.501 114.554 0.160 0.000 3.132 166 T HA 0.272 4.622 4.350 -0.000 0.000 0.274 166 T C 0.357 175.088 174.700 0.052 0.000 1.011 166 T CA -0.427 61.742 62.100 0.114 0.000 0.899 166 T CB 0.128 69.040 68.868 0.074 0.000 1.089 166 T HN -0.055 nan 8.240 nan 0.000 0.543 167 L N 2.696 123.975 121.223 0.093 0.000 2.331 167 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 167 L C -2.173 174.760 176.870 0.105 0.000 1.106 167 L CA -2.145 52.745 54.840 0.084 0.000 0.824 167 L CB 0.689 42.811 42.059 0.105 0.000 1.142 167 L HN -0.013 nan 8.230 nan 0.000 0.443 168 P HA 0.070 nan 4.420 nan 0.000 0.274 168 P C 0.401 177.791 177.300 0.150 0.000 1.246 168 P CA -0.380 62.794 63.100 0.123 0.000 0.795 168 P CB 0.616 32.377 31.700 0.101 0.000 1.006 169 F N 1.131 121.078 119.950 -0.005 0.000 2.134 169 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 169 F C 2.261 178.041 175.800 -0.033 0.000 1.097 169 F CA 1.347 59.323 58.000 -0.039 0.000 1.264 169 F CB 0.104 39.064 39.000 -0.067 0.000 1.001 169 F HN 0.230 nan 8.300 nan 0.000 0.479 170 K N -0.220 120.177 120.400 -0.004 0.000 2.218 170 K HA -0.241 4.079 4.320 -0.000 0.000 0.205 170 K C 1.693 178.280 176.600 -0.021 0.000 1.046 170 K CA 1.630 57.895 56.287 -0.036 0.000 0.933 170 K CB 0.012 32.515 32.500 0.004 0.000 0.728 170 K HN 0.327 nan 8.250 nan 0.000 0.454 171 Q N -0.182 119.601 119.800 -0.028 0.000 2.376 171 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 171 Q C 2.016 178.002 176.000 -0.024 0.000 0.921 171 Q CA 0.341 56.153 55.803 0.014 0.000 0.911 171 Q CB 0.209 28.976 28.738 0.048 0.000 1.032 171 Q HN 0.316 nan 8.270 nan 0.000 0.510 172 I N 0.927 121.417 120.570 -0.134 0.000 2.163 172 I HA -0.224 3.945 4.170 -0.000 0.000 0.240 172 I C 2.402 178.355 176.117 -0.273 0.000 1.081 172 I CA 1.084 62.279 61.300 -0.174 0.000 1.353 172 I CB -1.209 36.655 38.000 -0.226 0.000 1.054 172 I HN 0.149 nan 8.210 nan 0.000 0.407 173 L N 0.122 120.965 121.223 -0.634 0.000 2.012 173 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 173 L C 2.835 179.596 176.870 -0.181 0.000 1.073 173 L CA 1.677 56.080 54.840 -0.729 0.000 0.748 173 L CB -0.721 40.506 42.059 -1.386 0.000 0.891 173 L HN 0.239 nan 8.230 nan 0.000 0.431 174 S N -0.164 115.537 115.700 0.001 0.000 2.353 174 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 174 S C 1.977 176.673 174.600 0.160 0.000 1.035 174 S CA 1.617 59.951 58.200 0.222 0.000 1.025 174 S CB -0.560 62.781 63.200 0.235 0.000 0.902 174 S HN 0.561 nan 8.310 nan 0.000 0.440 175 G N -1.040 107.837 108.800 0.129 0.000 2.422 175 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.218 175 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.218 175 G C 1.284 176.266 174.900 0.135 0.000 1.140 175 G CA 0.840 46.033 45.100 0.155 0.000 0.775 175 G HN 0.650 nan 8.290 nan 0.000 0.545 176 Y N 1.890 122.191 120.300 0.002 0.000 2.315 176 Y HA -0.043 4.506 4.550 -0.000 0.000 0.288 176 Y C 2.834 178.792 175.900 0.096 0.000 1.154 176 Y CA 1.153 59.252 58.100 -0.002 0.000 1.229 176 Y CB -0.011 38.393 38.460 -0.092 0.000 0.980 176 Y HN 0.256 nan 8.280 nan 0.000 0.540 177 A N 0.022 122.869 122.820 0.045 0.000 2.019 177 A HA -0.166 4.153 4.320 -0.000 0.000 0.219 177 A C 2.022 179.566 177.584 -0.067 0.000 1.164 177 A CA 1.853 53.873 52.037 -0.028 0.000 0.644 177 A CB -0.381 18.604 19.000 -0.026 0.000 0.805 177 A HN 0.524 nan 8.150 nan 0.000 0.449 178 E N -0.446 119.736 120.200 -0.031 0.000 2.140 178 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 178 E C 2.161 178.671 176.600 -0.151 0.000 0.973 178 E CA 0.941 57.308 56.400 -0.054 0.000 0.829 178 E CB -0.504 29.288 29.700 0.153 0.000 0.781 178 E HN 0.382 nan 8.360 nan 0.000 0.466 179 V N 1.011 120.869 119.914 -0.094 0.000 2.407 179 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 179 V C 2.207 178.234 176.094 -0.111 0.000 1.055 179 V CA 1.716 63.955 62.300 -0.103 0.000 1.049 179 V CB -0.624 31.101 31.823 -0.165 0.000 0.662 179 V HN 0.261 nan 8.190 nan 0.000 0.455 180 Y N 0.804 120.826 120.300 -0.464 0.000 2.263 180 Y HA -0.185 4.365 4.550 -0.000 0.000 0.292 180 Y C 2.674 178.525 175.900 -0.082 0.000 1.130 180 Y CA 2.080 59.993 58.100 -0.312 0.000 1.179 180 Y CB 0.010 38.220 38.460 -0.418 0.000 0.998 180 Y HN 0.103 nan 8.280 nan 0.000 0.532 181 K N -0.493 119.808 120.400 -0.165 0.000 2.057 181 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 181 K C 1.677 178.235 176.600 -0.070 0.000 1.049 181 K CA 2.093 58.281 56.287 -0.166 0.000 0.931 181 K CB -0.439 31.991 32.500 -0.115 0.000 0.714 181 K HN 0.566 nan 8.250 nan 0.000 0.440 182 H N -0.655 118.430 119.070 0.026 0.000 2.421 182 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 182 H C 2.002 177.351 175.328 0.035 0.000 1.087 182 H CA 0.683 56.767 56.048 0.061 0.000 1.330 182 H CB 0.124 29.970 29.762 0.141 0.000 1.388 182 H HN 0.365 nan 8.280 nan 0.000 0.526 183 A N 1.055 123.938 122.820 0.105 0.000 1.855 183 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 183 A C 2.300 179.901 177.584 0.029 0.000 1.191 183 A CA 1.005 53.077 52.037 0.058 0.000 0.613 183 A CB -0.796 18.203 19.000 -0.001 0.000 0.829 183 A HN 0.298 nan 8.150 nan 0.000 0.442 184 L N -0.841 120.324 121.223 -0.095 0.000 2.129 184 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 184 L C 2.217 179.158 176.870 0.118 0.000 1.087 184 L CA 0.754 55.626 54.840 0.052 0.000 0.757 184 L CB -0.424 41.552 42.059 -0.138 0.000 0.896 184 L HN 0.299 nan 8.230 nan 0.000 0.434 185 L N -0.836 120.418 121.223 0.052 0.000 2.240 185 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 185 L C 2.091 179.004 176.870 0.073 0.000 1.106 185 L CA 1.307 56.170 54.840 0.040 0.000 0.793 185 L CB -1.186 40.907 42.059 0.056 0.000 0.927 185 L HN 0.295 nan 8.230 nan 0.000 0.446 186 N N 0.074 118.835 118.700 0.102 0.000 2.515 186 N HA 0.029 4.769 4.740 -0.000 0.000 0.185 186 N C 0.632 176.197 175.510 0.090 0.000 1.109 186 N CA 0.899 54.003 53.050 0.090 0.000 0.903 186 N CB 0.606 39.152 38.487 0.099 0.000 0.969 186 N HN 0.369 nan 8.380 nan 0.000 0.450 187 G N 0.404 109.295 108.800 0.150 0.000 2.392 187 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.677 187 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.677 187 G C 0.021 174.884 174.900 -0.061 0.000 1.334 187 G CA -0.183 44.998 45.100 0.136 0.000 0.961 187 G HN 0.157 nan 8.290 nan 0.000 0.616 188 E N -0.489 119.482 120.200 -0.381 0.000 2.204 188 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 188 E C 2.465 178.748 176.600 -0.529 0.000 0.990 188 E CA 1.751 57.474 56.400 -1.128 0.000 0.821 188 E CB -0.030 29.190 29.700 -0.801 0.000 0.750 188 E HN 0.524 nan 8.360 nan 0.000 0.477 189 S N -0.080 115.473 115.700 -0.244 0.000 2.335 189 S HA -0.099 4.371 4.470 -0.000 0.000 0.217 189 S C 2.116 176.680 174.600 -0.061 0.000 1.032 189 S CA 1.198 59.323 58.200 -0.124 0.000 0.985 189 S CB -0.256 62.908 63.200 -0.059 0.000 0.896 189 S HN 0.376 nan 8.310 nan 0.000 0.445 190 A N 0.551 123.363 122.820 -0.013 0.000 1.978 190 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 190 A C 2.318 179.950 177.584 0.080 0.000 1.170 190 A CA 2.276 54.357 52.037 0.074 0.000 0.636 190 A CB -1.489 17.573 19.000 0.103 0.000 0.810 190 A HN 0.629 nan 8.150 nan 0.000 0.448 191 T N -0.127 114.427 114.554 0.000 0.000 2.639 191 T HA -0.148 4.202 4.350 -0.000 0.000 0.261 191 T C 2.022 176.755 174.700 0.055 0.000 1.053 191 T CA 1.583 63.710 62.100 0.045 0.000 1.158 191 T CB -0.310 68.591 68.868 0.055 0.000 0.863 191 T HN 0.606 nan 8.240 nan 0.000 0.413 192 Q N 0.397 120.159 119.800 -0.062 0.000 2.291 192 Q HA -0.144 4.195 4.340 -0.000 0.000 0.206 192 Q C 1.951 177.950 176.000 -0.002 0.000 0.976 192 Q CA 1.253 57.021 55.803 -0.059 0.000 0.875 192 Q CB -0.137 28.522 28.738 -0.133 0.000 0.927 192 Q HN 0.487 nan 8.270 nan 0.000 0.450 193 D N 0.524 120.945 120.400 0.035 0.000 2.137 193 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 193 D C 1.594 177.975 176.300 0.136 0.000 0.970 193 D CA 0.554 54.611 54.000 0.095 0.000 0.837 193 D CB 0.062 40.937 40.800 0.125 0.000 0.981 193 D HN 0.200 nan 8.370 nan 0.000 0.475 194 I N 0.053 120.693 120.570 0.117 0.000 2.406 194 I HA -0.105 4.065 4.170 -0.000 0.000 0.249 194 I C 1.713 177.929 176.117 0.165 0.000 1.122 194 I CA 0.869 62.155 61.300 -0.024 0.000 1.431 194 I CB -0.013 37.999 38.000 0.020 0.000 1.087 194 I HN 0.024 nan 8.210 nan 0.000 0.424 195 E N 0.144 120.427 120.200 0.139 0.000 2.153 195 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 195 E C 1.998 178.618 176.600 0.034 0.000 0.988 195 E CA 1.080 57.447 56.400 -0.054 0.000 0.811 195 E CB -0.031 29.507 29.700 -0.269 0.000 0.746 195 E HN 0.577 nan 8.360 nan 0.000 0.466 196 Q N -0.276 119.553 119.800 0.049 0.000 2.137 196 Q HA -0.191 4.149 4.340 -0.000 0.000 0.198 196 Q C 1.976 178.006 176.000 0.049 0.000 0.960 196 Q CA 1.303 57.135 55.803 0.048 0.000 0.847 196 Q CB 0.048 28.814 28.738 0.047 0.000 0.915 196 Q HN 0.318 nan 8.270 nan 0.000 0.448 197 H N -0.787 118.248 119.070 -0.058 0.000 2.294 197 H HA -0.020 4.536 4.556 -0.000 0.000 0.306 197 H C -0.257 174.929 175.328 -0.238 0.000 1.065 197 H CA 1.207 57.142 56.048 -0.189 0.000 1.343 197 H CB 0.029 29.600 29.762 -0.319 0.000 1.396 197 H HN 0.097 nan 8.280 nan 0.000 0.506 198 F N 2.236 122.239 119.950 0.088 0.000 2.605 198 F HA 0.219 4.746 4.527 -0.000 0.000 0.352 198 F C 1.212 177.090 175.800 0.129 0.000 1.236 198 F CA -0.257 57.758 58.000 0.025 0.000 1.267 198 F CB 0.320 39.331 39.000 0.018 0.000 1.632 198 F HN 0.213 nan 8.300 nan 0.000 0.639 199 K N 0.438 120.942 120.400 0.173 0.000 2.116 199 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 199 K C -0.167 176.526 176.600 0.155 0.000 1.052 199 K CA 1.075 57.475 56.287 0.189 0.000 0.952 199 K CB -0.083 32.459 32.500 0.070 0.000 0.729 199 K HN 0.529 nan 8.250 nan 0.000 0.446 200 D N -2.227 118.215 120.400 0.069 0.000 2.665 200 D HA 0.103 4.742 4.640 -0.000 0.000 0.287 200 D C 0.335 176.621 176.300 -0.024 0.000 1.266 200 D CA -0.921 53.079 54.000 -0.000 0.000 0.830 200 D CB 0.908 41.705 40.800 -0.006 0.000 1.356 200 D HN -0.200 nan 8.370 nan 0.000 0.437 201 R N 0.304 120.774 120.500 -0.051 0.000 2.162 201 R HA -0.303 4.036 4.340 -0.000 0.000 0.245 201 R C 1.244 177.440 176.300 -0.174 0.000 1.129 201 R CA 2.461 58.508 56.100 -0.088 0.000 0.940 201 R CB -0.408 29.787 30.300 -0.176 0.000 0.875 201 R HN 0.684 nan 8.270 nan 0.000 0.437 202 E N -0.016 120.093 120.200 -0.152 0.000 2.171 202 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 202 E C 2.081 178.650 176.600 -0.052 0.000 0.997 202 E CA 1.408 57.728 56.400 -0.134 0.000 0.810 202 E CB -0.130 29.514 29.700 -0.095 0.000 0.738 202 E HN 0.445 nan 8.360 nan 0.000 0.467 203 I N 1.140 121.713 120.570 0.005 0.000 2.163 203 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 203 I C 2.573 178.822 176.117 0.220 0.000 1.081 203 I CA 0.974 62.330 61.300 0.093 0.000 1.353 203 I CB -1.295 36.760 38.000 0.091 0.000 1.054 203 I HN 0.171 nan 8.210 nan 0.000 0.407 204 L N 0.440 121.752 121.223 0.149 0.000 1.955 204 L HA -0.308 4.032 4.340 -0.000 0.000 0.213 204 L C 2.804 179.742 176.870 0.113 0.000 1.072 204 L CA 1.834 56.647 54.840 -0.044 0.000 0.755 204 L CB -0.454 41.517 42.059 -0.146 0.000 0.888 204 L HN 0.342 nan 8.230 nan 0.000 0.432 205 Q N -0.486 119.413 119.800 0.165 0.000 2.197 205 Q HA -0.284 4.056 4.340 -0.000 0.000 0.211 205 Q C 2.153 178.186 176.000 0.054 0.000 0.993 205 Q CA 2.672 58.497 55.803 0.036 0.000 0.883 205 Q CB -0.058 28.364 28.738 -0.528 0.000 0.916 205 Q HN 0.708 nan 8.270 nan 0.000 0.418 206 S N -0.710 115.023 115.700 0.054 0.000 2.406 206 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 206 S C 1.188 175.875 174.600 0.145 0.000 1.020 206 S CA 0.888 59.136 58.200 0.080 0.000 0.965 206 S CB -0.080 63.161 63.200 0.070 0.000 0.798 206 S HN 0.580 nan 8.310 nan 0.000 0.488 207 L N 0.411 121.761 121.223 0.212 0.000 4.613 207 L HA -0.141 4.199 4.340 -0.000 0.000 0.409 207 L C 0.060 177.151 176.870 0.369 0.000 1.100 207 L CA 0.241 55.246 54.840 0.274 0.000 1.029 207 L CB -2.286 39.888 42.059 0.192 0.000 2.137 207 L HN 0.526 nan 8.230 nan 0.000 0.713 208 N N 1.241 120.167 118.700 0.377 0.000 2.497 208 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 208 N C 1.242 177.056 175.510 0.508 0.000 1.171 208 N CA 1.506 54.756 53.050 0.333 0.000 0.948 208 N CB 1.303 39.922 38.487 0.220 0.000 1.069 208 N HN 0.390 nan 8.380 nan 0.000 0.460 209 G N 3.209 112.209 108.800 0.334 0.000 2.148 209 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 209 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 209 G C 0.788 175.920 174.900 0.387 0.000 0.981 209 G CA 0.656 45.860 45.100 0.173 0.000 0.670 209 G HN 0.592 nan 8.290 nan 0.000 0.528 210 M N 0.591 120.516 119.600 0.542 0.000 2.216 210 M HA 0.210 4.690 4.480 -0.000 0.000 0.264 210 M C 1.941 178.437 176.300 0.326 0.000 1.080 210 M CA 2.217 57.864 55.300 0.578 0.000 1.153 210 M CB -0.470 32.379 32.600 0.415 0.000 1.356 210 M HN 0.056 nan 8.290 nan 0.000 0.432 211 D N 0.582 121.114 120.400 0.221 0.000 2.220 211 D HA -0.250 4.390 4.640 -0.000 0.000 0.198 211 D C 1.870 178.221 176.300 0.086 0.000 1.001 211 D CA 1.277 55.355 54.000 0.130 0.000 0.875 211 D CB -0.360 40.546 40.800 0.176 0.000 0.921 211 D HN 0.445 nan 8.370 nan 0.000 0.454 212 K N -0.151 120.282 120.400 0.054 0.000 2.076 212 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 212 K C 1.740 178.276 176.600 -0.107 0.000 1.051 212 K CA 0.608 56.842 56.287 -0.089 0.000 0.949 212 K CB -0.204 32.141 32.500 -0.258 0.000 0.726 212 K HN 0.224 nan 8.250 nan 0.000 0.443 213 Y N 0.684 121.068 120.300 0.139 0.000 2.583 213 Y HA 0.025 4.575 4.550 -0.000 0.000 0.293 213 Y C 1.955 177.946 175.900 0.153 0.000 1.157 213 Y CA 0.294 58.504 58.100 0.183 0.000 1.315 213 Y CB 0.162 38.824 38.460 0.338 0.000 1.021 213 Y HN 0.029 nan 8.280 nan 0.000 0.536 214 I N -1.333 119.370 120.570 0.222 0.000 2.556 214 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 214 I C 2.488 178.742 176.117 0.228 0.000 1.105 214 I CA 0.858 62.255 61.300 0.161 0.000 1.436 214 I CB -0.607 37.470 38.000 0.129 0.000 1.139 214 I HN 0.131 nan 8.210 nan 0.000 0.438 215 A N 1.114 124.025 122.820 0.152 0.000 1.940 215 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 215 A C 2.344 179.999 177.584 0.119 0.000 1.176 215 A CA 1.955 54.069 52.037 0.129 0.000 0.631 215 A CB -0.562 18.478 19.000 0.066 0.000 0.814 215 A HN 0.350 nan 8.150 nan 0.000 0.446 216 K N -0.674 119.791 120.400 0.108 0.000 2.211 216 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 216 K C 1.906 178.597 176.600 0.152 0.000 1.050 216 K CA 1.164 57.511 56.287 0.099 0.000 0.945 216 K CB -0.377 32.172 32.500 0.082 0.000 0.732 216 K HN 0.403 nan 8.250 nan 0.000 0.451 217 G N 1.194 110.153 108.800 0.266 0.000 2.395 217 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.214 217 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.214 217 G C 1.472 176.464 174.900 0.153 0.000 1.177 217 G CA 0.423 45.766 45.100 0.405 0.000 0.794 217 G HN 0.189 nan 8.290 nan 0.000 0.532 218 I N 0.837 121.574 120.570 0.277 0.000 2.127 218 I HA -0.211 3.959 4.170 -0.000 0.000 0.241 218 I C 2.805 178.922 176.117 0.001 0.000 1.075 218 I CA 1.489 62.871 61.300 0.136 0.000 1.334 218 I CB -0.329 37.787 38.000 0.194 0.000 1.040 218 I HN 0.278 nan 8.210 nan 0.000 0.405 219 E N 0.425 120.634 120.200 0.015 0.000 2.033 219 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 219 E C 2.098 178.656 176.600 -0.071 0.000 1.011 219 E CA 2.145 58.529 56.400 -0.026 0.000 0.815 219 E CB -0.399 29.297 29.700 -0.006 0.000 0.755 219 E HN 0.455 nan 8.360 nan 0.000 0.451 220 T N 1.124 115.625 114.554 -0.088 0.000 2.721 220 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 220 T C 1.793 176.385 174.700 -0.180 0.000 1.038 220 T CA 1.730 63.754 62.100 -0.126 0.000 1.145 220 T CB -0.136 68.647 68.868 -0.141 0.000 0.858 220 T HN 0.128 nan 8.240 nan 0.000 0.459 221 K N 0.468 120.707 120.400 -0.268 0.000 2.044 221 K HA 0.142 4.462 4.320 -0.000 0.000 0.204 221 K C 2.329 178.874 176.600 -0.091 0.000 1.049 221 K CA 0.553 56.727 56.287 -0.188 0.000 0.945 221 K CB -0.327 32.055 32.500 -0.197 0.000 0.724 221 K HN 0.264 nan 8.250 nan 0.000 0.440 222 L N 1.437 122.604 121.223 -0.093 0.000 2.197 222 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 222 L C 1.064 177.855 176.870 -0.131 0.000 1.095 222 L CA 1.831 56.606 54.840 -0.108 0.000 0.764 222 L CB -0.188 41.799 42.059 -0.120 0.000 0.897 222 L HN 0.237 nan 8.230 nan 0.000 0.436 223 D N -0.168 120.174 120.400 -0.098 0.000 2.120 223 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 223 D C 2.235 178.503 176.300 -0.053 0.000 0.972 223 D CA 1.327 55.278 54.000 -0.082 0.000 0.837 223 D CB -0.060 40.709 40.800 -0.052 0.000 0.989 223 D HN 0.329 nan 8.370 nan 0.000 0.469 224 I N 1.213 121.770 120.570 -0.021 0.000 2.394 224 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 224 I C 2.502 178.635 176.117 0.027 0.000 1.136 224 I CA 0.783 62.094 61.300 0.020 0.000 1.425 224 I CB -1.143 36.888 38.000 0.052 0.000 1.079 224 I HN -0.002 nan 8.210 nan 0.000 0.425 225 V N -1.592 118.336 119.914 0.023 0.000 2.649 225 V HA -0.017 4.103 4.120 -0.000 0.000 0.248 225 V C 2.338 178.491 176.094 0.099 0.000 1.054 225 V CA 0.870 63.228 62.300 0.097 0.000 1.073 225 V CB -0.733 31.172 31.823 0.138 0.000 0.699 225 V HN 0.125 nan 8.190 nan 0.000 0.463 226 V N 1.211 121.034 119.914 -0.151 0.000 2.453 226 V HA -0.024 4.096 4.120 -0.000 0.000 0.247 226 V C 3.062 179.105 176.094 -0.085 0.000 1.048 226 V CA 2.013 64.029 62.300 -0.474 0.000 1.049 226 V CB -0.875 30.570 31.823 -0.629 0.000 0.672 226 V HN 0.635 nan 8.190 nan 0.000 0.457 227 A N -0.688 122.104 122.820 -0.047 0.000 2.066 227 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 227 A C 1.263 178.866 177.584 0.032 0.000 1.157 227 A CA 1.659 53.695 52.037 -0.003 0.000 0.670 227 A CB -0.122 18.872 19.000 -0.011 0.000 0.804 227 A HN 0.547 nan 8.150 nan 0.000 0.453 228 D N -1.612 118.822 120.400 0.056 0.000 3.285 228 D HA 0.109 4.749 4.640 -0.000 0.000 0.273 228 D C 0.607 176.944 176.300 0.061 0.000 1.295 228 D CA -0.248 53.772 54.000 0.032 0.000 0.762 228 D CB -0.189 40.603 40.800 -0.013 0.000 1.379 228 D HN 0.303 nan 8.370 nan 0.000 0.612 229 E N 0.433 120.708 120.200 0.125 0.000 2.086 229 E HA -0.237 4.113 4.350 -0.000 0.000 0.200 229 E C 0.662 177.235 176.600 -0.044 0.000 1.012 229 E CA 1.049 57.527 56.400 0.130 0.000 0.812 229 E CB 0.352 30.093 29.700 0.069 0.000 0.743 229 E HN -0.044 nan 8.360 nan 0.000 0.453 230 K N 0.863 121.120 120.400 -0.239 0.000 2.551 230 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 230 K C -0.490 175.929 176.600 -0.302 0.000 1.033 230 K CA 0.205 56.145 56.287 -0.577 0.000 1.187 230 K CB -0.074 32.106 32.500 -0.533 0.000 0.900 230 K HN 0.211 nan 8.250 nan 0.000 0.499 231 E N 1.073 121.230 120.200 -0.071 0.000 2.252 231 E HA -0.243 4.106 4.350 -0.000 0.000 0.218 231 E C -0.829 175.730 176.600 -0.069 0.000 1.253 231 E CA 0.103 56.497 56.400 -0.011 0.000 0.705 231 E CB -0.419 29.339 29.700 0.098 0.000 1.172 231 E HN 0.178 nan 8.360 nan 0.000 0.369 232 Q N 0.339 120.084 119.800 -0.092 0.000 3.135 232 Q HA 0.306 4.646 4.340 -0.000 0.000 0.344 232 Q C 0.798 176.738 176.000 -0.100 0.000 1.321 232 Q CA 0.607 56.355 55.803 -0.092 0.000 1.050 232 Q CB 0.859 29.544 28.738 -0.089 0.000 1.498 232 Q HN 0.644 nan 8.270 nan 0.000 0.503 233 G N -0.270 108.451 108.800 -0.131 0.000 2.601 233 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.233 233 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.233 233 G C 0.672 175.358 174.900 -0.357 0.000 1.896 233 G CA -0.071 44.913 45.100 -0.192 0.000 1.514 233 G HN 0.277 nan 8.290 nan 0.000 0.512 234 V N 2.360 122.071 119.914 -0.337 0.000 2.332 234 V HA -0.042 4.078 4.120 -0.000 0.000 0.248 234 V C 2.666 178.509 176.094 -0.418 0.000 1.055 234 V CA 3.169 65.166 62.300 -0.505 0.000 1.038 234 V CB -0.461 31.275 31.823 -0.144 0.000 0.651 234 V HN 0.578 nan 8.190 nan 0.000 0.450 235 R N -0.139 120.257 120.500 -0.172 0.000 2.303 235 R HA -0.148 4.192 4.340 -0.000 0.000 0.225 235 R C 2.037 178.292 176.300 -0.074 0.000 1.114 235 R CA 1.198 57.267 56.100 -0.052 0.000 1.007 235 R CB -0.187 30.123 30.300 0.017 0.000 0.861 235 R HN 0.522 nan 8.270 nan 0.000 0.471 236 K N -0.454 119.817 120.400 -0.216 0.000 2.442 236 K HA -0.103 4.217 4.320 -0.000 0.000 0.198 236 K C 0.905 177.485 176.600 -0.033 0.000 1.042 236 K CA 0.600 56.793 56.287 -0.157 0.000 0.958 236 K CB 0.054 32.414 32.500 -0.233 0.000 0.766 236 K HN 0.172 nan 8.250 nan 0.000 0.474 237 F N 0.668 120.617 119.950 -0.001 0.000 2.661 237 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 237 F C 1.639 177.432 175.800 -0.012 0.000 1.137 237 F CA 0.433 58.430 58.000 -0.005 0.000 1.454 237 F CB -0.373 38.632 39.000 0.008 0.000 1.103 237 F HN -0.070 nan 8.300 nan 0.000 0.577 238 L N -0.715 120.595 121.223 0.145 0.000 2.554 238 L HA -0.022 4.318 4.340 -0.000 0.000 0.226 238 L C 1.601 178.381 176.870 -0.149 0.000 1.137 238 L CA 0.419 55.296 54.840 0.061 0.000 0.863 238 L CB -0.470 41.623 42.059 0.058 0.000 0.985 238 L HN 0.057 nan 8.230 nan 0.000 0.451 239 N N 0.884 119.498 118.700 -0.142 0.000 2.370 239 N HA 0.032 4.772 4.740 -0.000 0.000 0.198 239 N C 0.287 175.779 175.510 -0.030 0.000 1.156 239 N CA -0.096 52.781 53.050 -0.288 0.000 0.839 239 N CB 0.266 38.698 38.487 -0.093 0.000 0.989 239 N HN 0.121 nan 8.380 nan 0.000 0.468 240 L N 0.845 122.094 121.223 0.044 0.000 2.615 240 L HA 0.084 4.424 4.340 -0.000 0.000 0.271 240 L C 1.334 178.273 176.870 0.115 0.000 1.183 240 L CA 0.837 55.709 54.840 0.053 0.000 0.933 240 L CB -0.289 41.756 42.059 -0.022 0.000 1.199 240 L HN 0.380 nan 8.230 nan 0.000 0.487 241 G N 3.119 111.940 108.800 0.036 0.000 2.162 241 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 241 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 241 G C 0.806 175.680 174.900 -0.042 0.000 0.976 241 G CA 0.785 45.874 45.100 -0.018 0.000 0.655 241 G HN 0.811 nan 8.290 nan 0.000 0.533 242 H N -0.356 118.626 119.070 -0.147 0.000 2.520 242 H HA 0.181 4.737 4.556 -0.000 0.000 0.279 242 H C 2.713 177.939 175.328 -0.170 0.000 0.990 242 H CA 1.570 57.441 56.048 -0.295 0.000 1.288 242 H CB -0.118 29.383 29.762 -0.434 0.000 1.446 242 H HN 0.366 nan 8.280 nan 0.000 0.538 243 T N 0.435 115.053 114.554 0.108 0.000 2.607 243 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 243 T C 1.812 176.589 174.700 0.128 0.000 1.049 243 T CA 1.714 63.903 62.100 0.148 0.000 1.162 243 T CB -0.528 68.428 68.868 0.146 0.000 0.863 243 T HN 0.347 nan 8.240 nan 0.000 0.424 244 F N 1.047 120.905 119.950 -0.154 0.000 2.293 244 F HA 0.158 4.685 4.527 -0.000 0.000 0.297 244 F C 2.431 178.079 175.800 -0.254 0.000 1.089 244 F CA 0.562 58.361 58.000 -0.334 0.000 1.377 244 F CB -0.287 38.269 39.000 -0.740 0.000 1.051 244 F HN 0.215 nan 8.300 nan 0.000 0.511 245 G N -0.634 108.055 108.800 -0.185 0.000 2.446 245 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 245 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 245 G C 1.252 176.029 174.900 -0.205 0.000 1.168 245 G CA 1.244 46.168 45.100 -0.292 0.000 0.771 245 G HN 0.493 nan 8.290 nan 0.000 0.551 246 H N 0.247 119.252 119.070 -0.107 0.000 2.421 246 H HA 0.089 4.645 4.556 -0.000 0.000 0.298 246 H C 2.885 177.981 175.328 -0.387 0.000 1.087 246 H CA 0.481 56.492 56.048 -0.060 0.000 1.330 246 H CB 0.199 30.036 29.762 0.125 0.000 1.388 246 H HN 0.450 nan 8.280 nan 0.000 0.526 247 A N 0.295 122.862 122.820 -0.422 0.000 1.929 247 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 247 A C 2.449 179.690 177.584 -0.572 0.000 1.176 247 A CA 1.184 52.723 52.037 -0.829 0.000 0.628 247 A CB -0.381 18.332 19.000 -0.478 0.000 0.816 247 A HN 0.213 nan 8.150 nan 0.000 0.444 248 V N -0.077 119.532 119.914 -0.509 0.000 2.649 248 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 248 V C 2.377 178.357 176.094 -0.191 0.000 1.054 248 V CA 1.835 63.877 62.300 -0.430 0.000 1.073 248 V CB -0.403 31.107 31.823 -0.521 0.000 0.699 248 V HN 0.789 nan 8.190 nan 0.000 0.463 249 E N 0.062 120.193 120.200 -0.115 0.000 2.001 249 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 249 E C 2.310 178.942 176.600 0.054 0.000 0.994 249 E CA 1.573 57.983 56.400 0.016 0.000 0.815 249 E CB -0.411 29.366 29.700 0.128 0.000 0.770 249 E HN 0.516 nan 8.360 nan 0.000 0.453 250 Y N 0.269 120.536 120.300 -0.056 0.000 2.069 250 Y HA -0.345 4.205 4.550 -0.000 0.000 0.278 250 Y C 2.304 178.230 175.900 0.044 0.000 1.175 250 Y CA 2.420 60.527 58.100 0.012 0.000 1.134 250 Y CB -0.889 37.626 38.460 0.091 0.000 0.965 250 Y HN 0.337 nan 8.280 nan 0.000 0.498 251 Y N -0.276 119.949 120.300 -0.124 0.000 2.145 251 Y HA -0.222 4.327 4.550 -0.000 0.000 0.286 251 Y C 2.230 178.102 175.900 -0.047 0.000 1.145 251 Y CA 2.490 60.498 58.100 -0.152 0.000 1.148 251 Y CB -0.859 37.459 38.460 -0.237 0.000 0.981 251 Y HN 0.351 nan 8.280 nan 0.000 0.507 252 H N 0.084 118.991 119.070 -0.272 0.000 2.551 252 H HA 0.181 4.737 4.556 -0.000 0.000 0.271 252 H C -0.115 175.083 175.328 -0.217 0.000 0.984 252 H CA -0.134 55.705 56.048 -0.348 0.000 1.164 252 H CB 0.209 29.824 29.762 -0.245 0.000 1.437 252 H HN 0.056 nan 8.280 nan 0.000 0.550 253 K N 1.455 121.827 120.400 -0.048 0.000 4.007 253 K HA -0.180 4.139 4.320 -0.000 0.000 0.279 253 K C -0.665 175.906 176.600 -0.047 0.000 0.919 253 K CA 0.562 56.812 56.287 -0.062 0.000 0.800 253 K CB -1.723 30.717 32.500 -0.101 0.000 1.572 253 K HN 0.509 nan 8.250 nan 0.000 0.443 254 I N -3.414 117.142 120.570 -0.023 0.000 2.740 254 I HA 0.586 4.756 4.170 -0.000 0.000 0.303 254 I C -2.455 173.629 176.117 -0.054 0.000 1.044 254 I CA -3.211 58.057 61.300 -0.052 0.000 1.064 254 I CB 1.891 39.887 38.000 -0.006 0.000 1.249 254 I HN -0.187 nan 8.210 nan 0.000 0.433 255 P HA -0.099 nan 4.420 nan 0.000 0.268 255 P C 0.068 177.415 177.300 0.077 0.000 1.189 255 P CA 0.512 63.551 63.100 -0.101 0.000 0.771 255 P CB 0.287 31.749 31.700 -0.397 0.000 0.822 256 H N 2.040 121.129 119.070 0.032 0.000 2.319 256 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 256 H C 2.077 177.431 175.328 0.044 0.000 1.092 256 H CA 2.626 58.698 56.048 0.041 0.000 1.302 256 H CB -0.732 29.064 29.762 0.057 0.000 1.373 256 H HN 0.527 nan 8.280 nan 0.000 0.497 257 G N -1.004 107.844 108.800 0.080 0.000 2.421 257 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 257 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 257 G C 1.308 176.265 174.900 0.094 0.000 1.171 257 G CA 1.080 46.208 45.100 0.047 0.000 0.775 257 G HN 0.483 nan 8.290 nan 0.000 0.543 258 H N 1.016 120.117 119.070 0.051 0.000 2.353 258 H HA 0.040 4.596 4.556 -0.000 0.000 0.298 258 H C 2.836 178.145 175.328 -0.031 0.000 1.103 258 H CA 1.445 57.554 56.048 0.102 0.000 1.293 258 H CB -0.500 29.313 29.762 0.084 0.000 1.372 258 H HN 0.400 nan 8.280 nan 0.000 0.501 259 A N 0.270 123.111 122.820 0.034 0.000 1.898 259 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 259 A C 2.692 180.153 177.584 -0.206 0.000 1.181 259 A CA 1.576 53.554 52.037 -0.098 0.000 0.620 259 A CB -0.875 18.051 19.000 -0.123 0.000 0.819 259 A HN 0.248 nan 8.150 nan 0.000 0.442 260 V N 0.137 119.851 119.914 -0.333 0.000 2.287 260 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 260 V C 2.722 178.669 176.094 -0.246 0.000 1.053 260 V CA 2.187 64.235 62.300 -0.420 0.000 1.027 260 V CB -0.660 30.816 31.823 -0.577 0.000 0.646 260 V HN 0.517 nan 8.190 nan 0.000 0.447 261 M N -0.654 118.815 119.600 -0.219 0.000 2.082 261 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 261 M C 2.224 178.440 176.300 -0.140 0.000 1.069 261 M CA 1.771 56.926 55.300 -0.242 0.000 1.102 261 M CB -1.107 31.183 32.600 -0.517 0.000 1.336 261 M HN 0.298 nan 8.290 nan 0.000 0.404 262 V N -0.240 119.623 119.914 -0.085 0.000 2.515 262 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 262 V C 2.545 178.711 176.094 0.121 0.000 1.058 262 V CA 1.885 64.205 62.300 0.034 0.000 1.064 262 V CB -1.489 30.362 31.823 0.047 0.000 0.675 262 V HN 0.589 nan 8.190 nan 0.000 0.461 263 G N -0.299 108.513 108.800 0.020 0.000 2.484 263 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 263 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 263 G C 1.424 176.332 174.900 0.014 0.000 1.130 263 G CA 0.378 45.527 45.100 0.082 0.000 0.784 263 G HN 0.369 nan 8.290 nan 0.000 0.543 264 I N 1.341 121.847 120.570 -0.107 0.000 2.193 264 I HA -0.015 4.155 4.170 -0.000 0.000 0.240 264 I C 2.792 178.703 176.117 -0.343 0.000 1.084 264 I CA 0.669 61.794 61.300 -0.292 0.000 1.365 264 I CB -0.950 36.906 38.000 -0.240 0.000 1.064 264 I HN 0.142 nan 8.210 nan 0.000 0.410 265 I N -0.028 120.504 120.570 -0.063 0.000 2.264 265 I HA -0.350 3.819 4.170 -0.000 0.000 0.248 265 I C 2.694 178.859 176.117 0.080 0.000 1.111 265 I CA 1.678 63.038 61.300 0.100 0.000 1.382 265 I CB -0.793 37.276 38.000 0.114 0.000 1.060 265 I HN 0.221 nan 8.210 nan 0.000 0.418 266 Y N 1.917 122.180 120.300 -0.061 0.000 2.293 266 Y HA -0.252 4.298 4.550 -0.000 0.000 0.291 266 Y C 2.816 178.591 175.900 -0.208 0.000 1.137 266 Y CA 1.572 59.590 58.100 -0.137 0.000 1.202 266 Y CB -0.196 38.149 38.460 -0.191 0.000 0.990 266 Y HN 0.143 nan 8.280 nan 0.000 0.537 267 Q N 0.125 119.872 119.800 -0.089 0.000 2.119 267 Q HA -0.189 4.151 4.340 -0.000 0.000 0.201 267 Q C 1.929 177.719 176.000 -0.350 0.000 0.972 267 Q CA 1.796 57.457 55.803 -0.237 0.000 0.847 267 Q CB -0.650 27.904 28.738 -0.307 0.000 0.903 267 Q HN 0.658 nan 8.270 nan 0.000 0.433 268 F N 0.547 120.297 119.950 -0.332 0.000 2.146 268 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 268 F C 2.418 178.062 175.800 -0.260 0.000 1.096 268 F CA 0.503 58.202 58.000 -0.502 0.000 1.275 268 F CB -0.058 38.634 39.000 -0.512 0.000 1.008 268 F HN 0.007 nan 8.300 nan 0.000 0.480 269 I N -0.320 120.220 120.570 -0.050 0.000 2.315 269 I HA -0.288 3.882 4.170 -0.000 0.000 0.251 269 I C 2.118 178.094 176.117 -0.235 0.000 1.125 269 I CA 1.097 62.325 61.300 -0.120 0.000 1.392 269 I CB -0.578 37.288 38.000 -0.224 0.000 1.065 269 I HN 0.036 nan 8.210 nan 0.000 0.424 270 V N 0.877 120.571 119.914 -0.367 0.000 2.379 270 V HA -0.111 4.008 4.120 -0.000 0.000 0.243 270 V C 2.644 178.505 176.094 -0.389 0.000 1.035 270 V CA 1.517 63.582 62.300 -0.391 0.000 1.035 270 V CB -0.762 30.805 31.823 -0.427 0.000 0.673 270 V HN 0.453 nan 8.190 nan 0.000 0.457 271 A N 0.309 122.938 122.820 -0.318 0.000 2.186 271 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 271 A C 1.972 179.410 177.584 -0.243 0.000 1.159 271 A CA 1.814 53.608 52.037 -0.404 0.000 0.680 271 A CB -0.521 18.591 19.000 0.187 0.000 0.787 271 A HN 0.613 nan 8.150 nan 0.000 0.467 272 N N -0.037 118.611 118.700 -0.086 0.000 2.322 272 N HA 0.058 4.798 4.740 -0.000 0.000 0.186 272 N C 2.039 177.464 175.510 -0.143 0.000 1.037 272 N CA 1.336 54.354 53.050 -0.053 0.000 0.869 272 N CB -0.800 37.702 38.487 0.025 0.000 1.036 272 N HN 0.332 nan 8.380 nan 0.000 0.439 273 A N 1.687 124.405 122.820 -0.171 0.000 1.971 273 A HA -0.150 4.170 4.320 -0.000 0.000 0.222 273 A C 2.105 179.582 177.584 -0.178 0.000 1.182 273 A CA 1.366 53.305 52.037 -0.163 0.000 0.649 273 A CB -0.653 18.237 19.000 -0.183 0.000 0.818 273 A HN 0.207 nan 8.150 nan 0.000 0.458 274 L N -2.828 118.207 121.223 -0.313 0.000 2.496 274 L HA 0.139 4.479 4.340 -0.000 0.000 0.189 274 L C 2.257 179.055 176.870 -0.120 0.000 1.308 274 L CA 0.515 55.196 54.840 -0.265 0.000 0.912 274 L CB -1.009 40.792 42.059 -0.430 0.000 1.148 274 L HN 0.363 nan 8.230 nan 0.000 0.537 275 F N -0.194 119.760 119.950 0.007 0.000 2.451 275 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 275 F C 0.816 176.606 175.800 -0.017 0.000 1.101 275 F CA 0.027 58.026 58.000 -0.000 0.000 1.436 275 F CB -1.214 37.791 39.000 0.008 0.000 1.074 275 F HN 0.329 nan 8.300 nan 0.000 0.553 276 D N 0.879 121.288 120.400 0.016 0.000 2.760 276 D HA -0.196 4.444 4.640 -0.000 0.000 0.244 276 D C 0.698 176.982 176.300 -0.025 0.000 1.123 276 D CA 0.717 54.707 54.000 -0.016 0.000 0.719 276 D CB -0.955 39.843 40.800 -0.004 0.000 1.045 276 D HN 0.323 nan 8.370 nan 0.000 0.426 277 S N 0.500 116.152 115.700 -0.079 0.000 2.607 277 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 277 S C 0.602 174.971 174.600 -0.385 0.000 0.969 277 S CA 0.469 58.538 58.200 -0.219 0.000 0.927 277 S CB 0.088 63.087 63.200 -0.334 0.000 0.772 277 S HN 0.498 nan 8.310 nan 0.000 0.533 278 K N 2.253 122.489 120.400 -0.274 0.000 4.387 278 K HA -0.159 4.161 4.320 -0.000 0.000 0.290 278 K C -0.971 175.493 176.600 -0.226 0.000 0.936 278 K CA 0.328 56.509 56.287 -0.176 0.000 0.890 278 K CB -1.227 31.213 32.500 -0.101 0.000 1.617 278 K HN 0.518 nan 8.250 nan 0.000 0.437 279 H N 1.154 120.219 119.070 -0.009 0.000 2.548 279 H HA 0.051 4.607 4.556 -0.000 0.000 0.331 279 H C 0.273 175.589 175.328 -0.020 0.000 1.093 279 H CA -0.458 55.560 56.048 -0.049 0.000 1.367 279 H CB 1.113 30.814 29.762 -0.103 0.000 1.455 279 H HN 0.255 nan 8.280 nan 0.000 0.519 280 D N 4.028 124.481 120.400 0.089 0.000 2.455 280 D HA -0.026 4.614 4.640 -0.000 0.000 0.234 280 D C 1.226 177.587 176.300 0.102 0.000 1.224 280 D CA -0.197 53.829 54.000 0.042 0.000 0.999 280 D CB -0.016 40.746 40.800 -0.063 0.000 1.072 280 D HN 0.356 nan 8.370 nan 0.000 0.514 281 I N 1.427 122.068 120.570 0.118 0.000 2.252 281 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 281 I C 2.231 178.330 176.117 -0.030 0.000 1.102 281 I CA 0.692 62.045 61.300 0.089 0.000 1.385 281 I CB -1.138 36.911 38.000 0.081 0.000 1.064 281 I HN 0.225 nan 8.210 nan 0.000 0.414 282 S N -0.234 115.463 115.700 -0.005 0.000 2.419 282 S HA -0.242 4.228 4.470 -0.000 0.000 0.235 282 S C 1.942 176.527 174.600 -0.025 0.000 1.019 282 S CA 1.463 59.649 58.200 -0.023 0.000 0.982 282 S CB -0.557 62.672 63.200 0.048 0.000 0.789 282 S HN 0.603 nan 8.310 nan 0.000 0.490 283 H N 0.250 119.247 119.070 -0.122 0.000 2.276 283 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 283 H C 1.773 176.991 175.328 -0.184 0.000 1.073 283 H CA 1.784 57.708 56.048 -0.207 0.000 1.311 283 H CB -0.506 29.021 29.762 -0.391 0.000 1.379 283 H HN 0.366 nan 8.280 nan 0.000 0.494 284 Y N 0.421 120.644 120.300 -0.127 0.000 2.145 284 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 284 Y C 2.738 178.579 175.900 -0.098 0.000 1.145 284 Y CA 1.234 59.285 58.100 -0.081 0.000 1.148 284 Y CB -0.425 38.104 38.460 0.115 0.000 0.981 284 Y HN 0.267 nan 8.280 nan 0.000 0.507 285 I N 0.068 120.634 120.570 -0.006 0.000 2.118 285 I HA -0.412 3.758 4.170 -0.000 0.000 0.241 285 I C 2.461 178.537 176.117 -0.069 0.000 1.070 285 I CA 2.146 63.389 61.300 -0.096 0.000 1.327 285 I CB -1.046 36.801 38.000 -0.256 0.000 1.034 285 I HN 0.334 nan 8.210 nan 0.000 0.405 286 Q N 0.464 120.219 119.800 -0.075 0.000 2.020 286 Q HA -0.288 4.052 4.340 -0.000 0.000 0.202 286 Q C 2.434 178.407 176.000 -0.045 0.000 0.982 286 Q CA 1.976 57.749 55.803 -0.049 0.000 0.838 286 Q CB -0.598 28.117 28.738 -0.039 0.000 0.899 286 Q HN 0.518 nan 8.270 nan 0.000 0.423 287 Y N 0.401 120.563 120.300 -0.229 0.000 2.228 287 Y HA -0.279 4.270 4.550 -0.000 0.000 0.285 287 Y C 1.579 177.416 175.900 -0.105 0.000 1.178 287 Y CA 1.527 59.507 58.100 -0.199 0.000 1.202 287 Y CB 0.067 38.331 38.460 -0.327 0.000 0.974 287 Y HN 0.178 nan 8.280 nan 0.000 0.527 288 L N -0.634 120.450 121.223 -0.232 0.000 2.072 288 L HA -0.193 4.147 4.340 -0.000 0.000 0.205 288 L C 2.355 179.192 176.870 -0.055 0.000 1.079 288 L CA 0.979 55.673 54.840 -0.244 0.000 0.752 288 L CB -0.478 41.441 42.059 -0.234 0.000 0.906 288 L HN 0.282 nan 8.230 nan 0.000 0.436 289 I N -0.182 120.360 120.570 -0.046 0.000 2.127 289 I HA -0.356 3.814 4.170 -0.000 0.000 0.241 289 I C 2.716 178.819 176.117 -0.023 0.000 1.075 289 I CA 1.520 62.816 61.300 -0.006 0.000 1.334 289 I CB -0.324 37.674 38.000 -0.003 0.000 1.040 289 I HN 0.378 nan 8.210 nan 0.000 0.405 290 Q N 0.539 120.303 119.800 -0.059 0.000 2.045 290 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 290 Q C 2.361 178.313 176.000 -0.080 0.000 0.991 290 Q CA 1.524 57.291 55.803 -0.060 0.000 0.851 290 Q CB -0.359 28.352 28.738 -0.046 0.000 0.911 290 Q HN 0.525 nan 8.270 nan 0.000 0.418 291 L N -0.687 120.436 121.223 -0.168 0.000 2.189 291 L HA -0.167 4.173 4.340 -0.000 0.000 0.214 291 L C 1.386 178.254 176.870 -0.004 0.000 1.097 291 L CA 1.143 55.897 54.840 -0.143 0.000 0.764 291 L CB -0.497 41.428 42.059 -0.222 0.000 0.900 291 L HN 0.661 nan 8.230 nan 0.000 0.436 292 G N -2.429 106.374 108.800 0.005 0.000 2.154 292 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.186 292 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.186 292 G C -0.055 174.799 174.900 -0.077 0.000 1.000 292 G CA -0.646 44.477 45.100 0.037 0.000 0.664 292 G HN 0.193 nan 8.290 nan 0.000 0.513 293 Y N 0.713 120.938 120.300 -0.125 0.000 2.610 293 Y HA 0.282 4.832 4.550 -0.000 0.000 0.332 293 Y C -0.138 175.727 175.900 -0.058 0.000 1.201 293 Y CA -0.602 57.398 58.100 -0.167 0.000 1.465 293 Y CB 0.484 38.812 38.460 -0.221 0.000 1.283 293 Y HN 0.058 nan 8.280 nan 0.000 0.563 294 P HA -0.223 nan 4.420 nan 0.000 0.202 294 P C -0.036 177.323 177.300 0.099 0.000 1.149 294 P CA 1.552 64.712 63.100 0.100 0.000 0.931 294 P CB 0.147 31.926 31.700 0.131 0.000 0.762 295 L N -2.321 118.971 121.223 0.114 0.000 4.447 295 L HA -0.169 4.171 4.340 -0.000 0.000 0.400 295 L C 0.993 177.913 176.870 0.083 0.000 1.110 295 L CA 1.075 55.975 54.840 0.100 0.000 1.010 295 L CB -2.655 39.459 42.059 0.092 0.000 2.154 295 L HN 0.241 nan 8.230 nan 0.000 0.685 296 D N -0.229 120.210 120.400 0.065 0.000 2.183 296 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 296 D C 1.841 178.155 176.300 0.024 0.000 0.962 296 D CA 1.316 55.339 54.000 0.038 0.000 0.849 296 D CB -0.193 40.617 40.800 0.018 0.000 0.978 296 D HN 0.535 nan 8.370 nan 0.000 0.488 297 M N 0.294 119.904 119.600 0.017 0.000 2.557 297 M HA 0.070 4.550 4.480 -0.000 0.000 0.259 297 M C 1.950 178.297 176.300 0.079 0.000 1.086 297 M CA 0.503 55.789 55.300 -0.023 0.000 1.096 297 M CB -0.985 31.579 32.600 -0.059 0.000 1.424 297 M HN -0.045 nan 8.290 nan 0.000 0.488 298 I N 1.642 122.282 120.570 0.116 0.000 2.185 298 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 298 I C 1.743 177.958 176.117 0.165 0.000 1.088 298 I CA 2.063 63.462 61.300 0.166 0.000 1.347 298 I CB -0.808 37.291 38.000 0.166 0.000 1.041 298 I HN 0.384 nan 8.210 nan 0.000 0.415 299 T N -0.400 114.224 114.554 0.116 0.000 3.023 299 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 299 T C 1.097 175.858 174.700 0.102 0.000 1.093 299 T CA 0.839 63.000 62.100 0.102 0.000 1.129 299 T CB -0.168 68.741 68.868 0.069 0.000 0.899 299 T HN 0.302 nan 8.240 nan 0.000 0.491 300 D N 0.832 121.279 120.400 0.079 0.000 2.328 300 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 300 D C 0.806 177.238 176.300 0.219 0.000 1.072 300 D CA -0.046 53.990 54.000 0.060 0.000 0.850 300 D CB -0.016 40.721 40.800 -0.105 0.000 0.922 300 D HN 0.372 nan 8.370 nan 0.000 0.516 301 L N 0.514 121.939 121.223 0.337 0.000 2.435 301 L HA 0.040 4.380 4.340 -0.000 0.000 0.258 301 L C 0.488 177.595 176.870 0.396 0.000 1.257 301 L CA 0.612 55.734 54.840 0.470 0.000 0.823 301 L CB 0.230 42.509 42.059 0.366 0.000 1.111 301 L HN -0.108 nan 8.230 nan 0.000 0.543 302 D N -1.199 119.425 120.400 0.373 0.000 2.333 302 D HA 0.055 4.694 4.640 -0.000 0.000 0.225 302 D C 0.119 176.575 176.300 0.260 0.000 1.345 302 D CA -0.457 53.721 54.000 0.296 0.000 0.971 302 D CB 0.383 41.373 40.800 0.316 0.000 1.451 302 D HN 0.402 nan 8.370 nan 0.000 0.561 303 F N 2.722 122.755 119.950 0.138 0.000 2.091 303 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 303 F C 1.907 177.783 175.800 0.126 0.000 1.103 303 F CA 1.592 59.678 58.000 0.143 0.000 1.228 303 F CB 0.463 39.539 39.000 0.128 0.000 0.984 303 F HN 0.402 nan 8.300 nan 0.000 0.477 304 E N 0.598 120.756 120.200 -0.069 0.000 2.045 304 E HA -0.255 4.094 4.350 -0.000 0.000 0.212 304 E C 2.073 178.564 176.600 -0.182 0.000 1.039 304 E CA 2.996 59.257 56.400 -0.231 0.000 0.860 304 E CB -0.853 28.776 29.700 -0.117 0.000 0.776 304 E HN 0.508 nan 8.360 nan 0.000 0.467 305 T N 0.646 115.106 114.554 -0.157 0.000 2.708 305 T HA -0.148 4.201 4.350 -0.000 0.000 0.266 305 T C 2.164 176.712 174.700 -0.254 0.000 1.037 305 T CA 1.600 63.558 62.100 -0.236 0.000 1.146 305 T CB -0.599 68.040 68.868 -0.382 0.000 0.865 305 T HN 0.108 nan 8.240 nan 0.000 0.435 306 L N -0.169 120.860 121.223 -0.324 0.000 2.013 306 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 306 L C 2.486 179.444 176.870 0.148 0.000 1.073 306 L CA 2.035 56.769 54.840 -0.176 0.000 0.753 306 L CB -0.823 41.196 42.059 -0.067 0.000 0.890 306 L HN 0.322 nan 8.230 nan 0.000 0.432 307 Y N 0.380 120.705 120.300 0.042 0.000 2.053 307 Y HA -0.391 4.159 4.550 -0.000 0.000 0.277 307 Y C 2.952 178.868 175.900 0.026 0.000 1.159 307 Y CA 1.220 59.356 58.100 0.060 0.000 1.125 307 Y CB 0.001 38.270 38.460 -0.319 0.000 0.969 307 Y HN 0.211 nan 8.280 nan 0.000 0.492 308 Q N -0.278 119.552 119.800 0.049 0.000 2.197 308 Q HA -0.271 4.069 4.340 -0.000 0.000 0.207 308 Q C 1.930 177.972 176.000 0.070 0.000 0.984 308 Q CA 1.938 57.709 55.803 -0.053 0.000 0.869 308 Q CB -0.827 27.835 28.738 -0.127 0.000 0.906 308 Q HN 0.726 nan 8.270 nan 0.000 0.426 309 Y N 0.280 120.576 120.300 -0.007 0.000 2.220 309 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 309 Y C 1.961 177.881 175.900 0.034 0.000 1.129 309 Y CA 1.227 59.324 58.100 -0.005 0.000 1.161 309 Y CB -0.251 38.199 38.460 -0.016 0.000 0.997 309 Y HN 0.040 nan 8.280 nan 0.000 0.522 310 M N -0.527 119.323 119.600 0.417 0.000 2.706 310 M HA -0.150 4.330 4.480 -0.000 0.000 0.251 310 M C 0.873 177.301 176.300 0.214 0.000 1.070 310 M CA 0.763 56.265 55.300 0.337 0.000 1.073 310 M CB -0.172 32.615 32.600 0.313 0.000 1.449 310 M HN 0.227 nan 8.290 nan 0.000 0.531 311 L N -1.466 119.848 121.223 0.151 0.000 2.529 311 L HA 0.088 4.427 4.340 -0.000 0.000 0.223 311 L C 2.167 179.029 176.870 -0.013 0.000 1.113 311 L CA 1.156 56.042 54.840 0.078 0.000 0.861 311 L CB -0.315 41.779 42.059 0.057 0.000 1.012 311 L HN 0.071 nan 8.230 nan 0.000 0.461 312 S N -1.422 114.226 115.700 -0.087 0.000 2.501 312 S HA -0.029 4.441 4.470 -0.000 0.000 0.220 312 S C 0.679 175.211 174.600 -0.112 0.000 0.997 312 S CA -0.192 57.902 58.200 -0.177 0.000 0.919 312 S CB -0.249 62.708 63.200 -0.405 0.000 0.778 312 S HN 0.429 nan 8.310 nan 0.000 0.523 313 D N 2.209 122.600 120.400 -0.015 0.000 2.648 313 D HA -0.085 4.555 4.640 -0.000 0.000 0.229 313 D C 0.421 176.732 176.300 0.019 0.000 1.119 313 D CA 0.651 54.684 54.000 0.055 0.000 0.850 313 D CB 0.515 41.388 40.800 0.121 0.000 1.169 313 D HN 0.193 nan 8.370 nan 0.000 0.489 314 K N 2.644 123.058 120.400 0.023 0.000 2.589 314 K HA -0.044 4.276 4.320 -0.000 0.000 0.192 314 K C 1.174 177.789 176.600 0.025 0.000 1.029 314 K CA 0.463 56.756 56.287 0.009 0.000 1.031 314 K CB 0.391 32.892 32.500 0.003 0.000 0.821 314 K HN 0.318 nan 8.250 nan 0.000 0.502 315 K N 0.131 120.552 120.400 0.035 0.000 2.355 315 K HA 0.086 4.406 4.320 -0.000 0.000 0.198 315 K C 0.017 176.625 176.600 0.012 0.000 1.039 315 K CA -0.145 56.158 56.287 0.026 0.000 1.075 315 K CB 0.455 32.979 32.500 0.040 0.000 0.870 315 K HN 0.102 nan 8.250 nan 0.000 0.540 316 N N 2.189 120.894 118.700 0.007 0.000 2.347 316 N HA 0.053 4.793 4.740 -0.000 0.000 0.253 316 N C -0.219 175.282 175.510 -0.014 0.000 1.274 316 N CA 0.127 53.170 53.050 -0.013 0.000 0.941 316 N CB 0.528 39.006 38.487 -0.014 0.000 1.200 316 N HN 0.097 nan 8.380 nan 0.000 0.514 317 D N -2.313 118.074 120.400 -0.023 0.000 2.781 317 D HA 0.204 4.844 4.640 -0.000 0.000 0.295 317 D C 0.375 176.670 176.300 -0.008 0.000 1.143 317 D CA -0.730 53.264 54.000 -0.010 0.000 1.076 317 D CB 0.711 41.511 40.800 0.000 0.000 1.444 317 D HN 0.376 nan 8.370 nan 0.000 0.567 318 K N -0.897 119.507 120.400 0.005 0.000 2.360 318 K HA -0.132 4.188 4.320 -0.000 0.000 0.201 318 K C 1.332 177.950 176.600 0.030 0.000 1.046 318 K CA 1.341 57.636 56.287 0.014 0.000 0.945 318 K CB -0.025 32.485 32.500 0.017 0.000 0.750 318 K HN 0.383 nan 8.250 nan 0.000 0.464 319 Q N -0.231 119.591 119.800 0.037 0.000 2.369 319 Q HA 0.101 4.441 4.340 -0.000 0.000 0.206 319 Q C 0.807 176.836 176.000 0.049 0.000 0.963 319 Q CA 0.726 56.586 55.803 0.095 0.000 0.894 319 Q CB 0.409 29.243 28.738 0.160 0.000 0.965 319 Q HN 0.473 nan 8.270 nan 0.000 0.475 320 G N 0.002 108.744 108.800 -0.097 0.000 2.293 320 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.282 320 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.282 320 G C -0.841 173.889 174.900 -0.283 0.000 1.299 320 G CA -0.621 44.372 45.100 -0.179 0.000 1.018 320 G HN -0.011 nan 8.290 nan 0.000 0.478 321 V N 1.268 121.029 119.914 -0.254 0.000 2.999 321 V HA 0.435 4.555 4.120 -0.000 0.000 0.307 321 V C 0.543 176.519 176.094 -0.197 0.000 1.084 321 V CA 0.407 62.624 62.300 -0.137 0.000 1.155 321 V CB 1.295 33.093 31.823 -0.043 0.000 0.975 321 V HN 0.712 nan 8.190 nan 0.000 0.490 322 Q N 3.146 122.916 119.800 -0.050 0.000 2.289 322 Q HA 0.603 4.942 4.340 -0.000 0.000 0.270 322 Q C -1.261 174.774 176.000 0.057 0.000 1.038 322 Q CA -0.459 55.345 55.803 0.001 0.000 0.812 322 Q CB 2.692 31.430 28.738 -0.001 0.000 1.300 322 Q HN 0.690 nan 8.270 nan 0.000 0.427 323 M N 1.201 120.852 119.600 0.085 0.000 2.644 323 M HA 0.519 4.999 4.480 -0.000 0.000 0.304 323 M C -0.645 175.727 176.300 0.121 0.000 1.215 323 M CA -1.068 54.293 55.300 0.101 0.000 0.871 323 M CB 2.535 35.195 32.600 0.099 0.000 1.740 323 M HN 0.209 nan 8.290 nan 0.000 0.464 324 V N 3.674 123.658 119.914 0.117 0.000 2.318 324 V HA 0.408 4.527 4.120 -0.000 0.000 0.271 324 V C -0.420 175.731 176.094 0.094 0.000 1.030 324 V CA -0.431 61.959 62.300 0.150 0.000 0.844 324 V CB 0.435 32.360 31.823 0.170 0.000 1.015 324 V HN 0.595 nan 8.190 nan 0.000 0.460 325 L N 4.811 126.121 121.223 0.144 0.000 2.331 325 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 325 L C -0.130 176.824 176.870 0.141 0.000 1.022 325 L CA -0.471 54.459 54.840 0.151 0.000 0.812 325 L CB 1.805 44.085 42.059 0.368 0.000 1.257 325 L HN 0.551 nan 8.230 nan 0.000 0.435 326 M N 2.159 121.817 119.600 0.096 0.000 2.205 326 M HA 0.332 4.812 4.480 -0.000 0.000 0.344 326 M C 0.469 176.977 176.300 0.347 0.000 1.085 326 M CA -0.233 55.112 55.300 0.075 0.000 1.001 326 M CB 1.449 33.999 32.600 -0.083 0.000 1.626 326 M HN 0.609 nan 8.290 nan 0.000 0.442 327 R N 2.323 122.965 120.500 0.236 0.000 2.254 327 R HA 0.240 4.580 4.340 -0.000 0.000 0.193 327 R C -0.300 176.084 176.300 0.140 0.000 0.929 327 R CA 0.531 56.802 56.100 0.285 0.000 1.038 327 R CB 0.760 31.013 30.300 -0.079 0.000 1.009 327 R HN 0.805 nan 8.270 nan 0.000 0.512 328 Q N -0.677 119.159 119.800 0.061 0.000 2.646 328 Q HA 0.058 4.398 4.340 -0.000 0.000 0.260 328 Q C -1.608 174.401 176.000 0.015 0.000 0.975 328 Q CA -0.631 55.197 55.803 0.041 0.000 0.936 328 Q CB 0.665 29.437 28.738 0.056 0.000 1.591 328 Q HN 0.024 nan 8.270 nan 0.000 0.412 329 F N 2.551 122.552 119.950 0.084 0.000 2.477 329 F HA 0.205 4.732 4.527 -0.000 0.000 0.392 329 F C 1.615 177.417 175.800 0.004 0.000 1.028 329 F CA 2.370 60.399 58.000 0.048 0.000 1.069 329 F CB 0.209 39.239 39.000 0.050 0.000 0.970 329 F HN 0.845 nan 8.300 nan 0.000 0.540 330 G N 2.236 111.088 108.800 0.087 0.000 2.168 330 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.197 330 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.197 330 G C -0.317 174.560 174.900 -0.039 0.000 0.997 330 G CA -0.086 45.029 45.100 0.024 0.000 0.658 330 G HN 0.662 nan 8.290 nan 0.000 0.513 331 D N 0.436 120.792 120.400 -0.073 0.000 2.656 331 D HA 0.480 5.120 4.640 -0.000 0.000 0.303 331 D C 0.002 176.207 176.300 -0.159 0.000 1.199 331 D CA -0.449 53.490 54.000 -0.101 0.000 0.797 331 D CB -0.111 40.650 40.800 -0.066 0.000 1.170 331 D HN 0.176 nan 8.370 nan 0.000 0.509 332 I N 1.026 121.421 120.570 -0.291 0.000 2.396 332 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 332 I C 0.043 176.055 176.117 -0.176 0.000 0.999 332 I CA -0.730 60.356 61.300 -0.358 0.000 1.310 332 I CB 1.755 39.282 38.000 -0.790 0.000 1.404 332 I HN -0.001 nan 8.210 nan 0.000 0.496 333 V N 5.473 125.397 119.914 0.017 0.000 2.876 333 V HA 0.610 4.730 4.120 -0.000 0.000 0.312 333 V C -0.460 175.772 176.094 0.229 0.000 1.085 333 V CA -0.890 61.491 62.300 0.135 0.000 0.945 333 V CB 1.981 33.764 31.823 -0.066 0.000 1.017 333 V HN 0.370 nan 8.190 nan 0.000 0.428 334 V N 3.919 123.964 119.914 0.219 0.000 2.459 334 V HA 0.823 4.943 4.120 -0.000 0.000 0.295 334 V C -0.256 175.915 176.094 0.129 0.000 1.029 334 V CA -0.215 62.186 62.300 0.168 0.000 0.874 334 V CB 1.230 33.115 31.823 0.102 0.000 0.985 334 V HN 1.166 nan 8.190 nan 0.000 0.438 335 Q N 2.017 121.902 119.800 0.141 0.000 2.829 335 Q HA 0.374 4.713 4.340 -0.000 0.000 0.296 335 Q C -0.985 175.121 176.000 0.177 0.000 0.893 335 Q CA -0.995 54.898 55.803 0.149 0.000 0.772 335 Q CB 1.048 29.886 28.738 0.166 0.000 1.489 335 Q HN 0.678 nan 8.270 nan 0.000 0.420 336 H N 0.236 119.351 119.070 0.075 0.000 2.998 336 H HA 0.213 4.768 4.556 -0.000 0.000 0.353 336 H C -0.770 174.593 175.328 0.059 0.000 1.099 336 H CA 1.016 57.102 56.048 0.064 0.000 1.393 336 H CB 0.797 30.593 29.762 0.056 0.000 1.343 336 H HN 0.416 nan 8.280 nan 0.000 0.609 337 V N 5.387 125.621 119.914 0.534 0.000 2.939 337 V HA 0.005 4.125 4.120 -0.000 0.000 0.320 337 V C -0.590 175.655 176.094 0.252 0.000 1.101 337 V CA -0.587 61.876 62.300 0.272 0.000 1.345 337 V CB 0.216 32.096 31.823 0.095 0.000 1.079 337 V HN 0.870 nan 8.190 nan 0.000 0.549 338 D N 0.619 121.248 120.400 0.380 0.000 2.461 338 D HA -0.147 4.493 4.640 -0.000 0.000 0.231 338 D C 1.560 177.913 176.300 0.088 0.000 1.208 338 D CA 0.360 54.532 54.000 0.285 0.000 0.879 338 D CB 0.745 41.629 40.800 0.140 0.000 1.220 338 D HN 0.599 nan 8.370 nan 0.000 0.480 339 Q N 0.210 120.058 119.800 0.080 0.000 2.404 339 Q HA -0.259 4.081 4.340 -0.000 0.000 0.214 339 Q C 1.752 177.787 176.000 0.059 0.000 0.992 339 Q CA 0.765 56.615 55.803 0.078 0.000 0.899 339 Q CB -0.378 28.546 28.738 0.310 0.000 0.921 339 Q HN 0.645 nan 8.270 nan 0.000 0.453 340 L N 1.796 123.039 121.223 0.033 0.000 1.924 340 L HA -0.205 4.135 4.340 -0.000 0.000 0.222 340 L C 1.919 178.733 176.870 -0.095 0.000 1.081 340 L CA 2.830 57.672 54.840 0.004 0.000 0.780 340 L CB -1.485 40.613 42.059 0.065 0.000 0.891 340 L HN 0.305 nan 8.230 nan 0.000 0.434 341 T N 1.746 116.256 114.554 -0.074 0.000 2.624 341 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 341 T C 2.011 176.521 174.700 -0.316 0.000 1.041 341 T CA 2.067 64.075 62.100 -0.153 0.000 1.159 341 T CB -0.620 68.149 68.868 -0.165 0.000 0.863 341 T HN 0.430 nan 8.240 nan 0.000 0.434 342 L N 0.923 121.933 121.223 -0.355 0.000 2.447 342 L HA -0.104 4.236 4.340 -0.000 0.000 0.225 342 L C 2.652 178.679 176.870 -1.406 0.000 1.148 342 L CA 1.006 55.453 54.840 -0.655 0.000 0.808 342 L CB -0.596 41.181 42.059 -0.470 0.000 0.928 342 L HN 0.277 nan 8.230 nan 0.000 0.448 343 Q N -0.745 118.549 119.800 -0.842 0.000 2.297 343 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 343 Q C 1.876 177.548 176.000 -0.548 0.000 0.931 343 Q CA 1.123 56.527 55.803 -0.665 0.000 0.885 343 Q CB 0.226 28.773 28.738 -0.318 0.000 0.991 343 Q HN 0.459 nan 8.270 nan 0.000 0.498 344 H N -1.072 117.876 119.070 -0.204 0.000 2.586 344 H HA 0.454 5.010 4.556 -0.000 0.000 0.273 344 H C 0.796 176.006 175.328 -0.196 0.000 0.997 344 H CA 0.697 56.657 56.048 -0.147 0.000 1.177 344 H CB 0.725 30.424 29.762 -0.106 0.000 1.471 344 H HN 0.388 nan 8.280 nan 0.000 0.538 345 A N -0.049 122.629 122.820 -0.237 0.000 2.063 345 A HA -0.005 4.314 4.320 -0.000 0.000 0.211 345 A C 2.196 179.633 177.584 -0.245 0.000 1.177 345 A CA 0.362 52.191 52.037 -0.346 0.000 0.759 345 A CB -0.566 18.018 19.000 -0.692 0.000 0.857 345 A HN 0.421 nan 8.150 nan 0.000 0.468 346 C N -0.002 119.185 119.300 -0.190 0.000 2.562 346 C HA 0.205 4.665 4.460 -0.000 0.000 0.266 346 C C 1.977 176.991 174.990 0.041 0.000 1.382 346 C CA 0.937 59.940 59.018 -0.025 0.000 1.742 346 C CB -1.207 26.467 27.740 -0.109 0.000 1.812 346 C HN 0.650 nan 8.230 nan 0.000 0.559 347 E N -0.866 119.327 120.200 -0.013 0.000 2.244 347 E HA -0.098 4.251 4.350 -0.000 0.000 0.196 347 E C 2.049 178.641 176.600 -0.015 0.000 0.939 347 E CA 0.165 56.578 56.400 0.022 0.000 0.884 347 E CB -0.289 29.434 29.700 0.037 0.000 0.850 347 E HN 0.589 nan 8.360 nan 0.000 0.481 348 Q N 0.760 120.537 119.800 -0.038 0.000 2.297 348 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 348 Q C 1.954 177.907 176.000 -0.078 0.000 0.962 348 Q CA 0.604 56.356 55.803 -0.085 0.000 0.879 348 Q CB 0.227 28.934 28.738 -0.052 0.000 0.947 348 Q HN 0.179 nan 8.270 nan 0.000 0.462 349 L N 0.338 121.607 121.223 0.077 0.000 2.418 349 L HA 0.028 4.367 4.340 -0.000 0.000 0.218 349 L C 1.658 178.679 176.870 0.252 0.000 1.125 349 L CA 1.195 56.216 54.840 0.301 0.000 0.835 349 L CB 0.119 42.351 42.059 0.288 0.000 0.953 349 L HN -0.096 nan 8.230 nan 0.000 0.454 350 K N -1.376 119.077 120.400 0.088 0.000 2.314 350 K HA 0.075 4.395 4.320 -0.000 0.000 0.198 350 K C 1.746 178.319 176.600 -0.045 0.000 1.045 350 K CA 0.875 57.206 56.287 0.074 0.000 0.988 350 K CB -0.078 32.466 32.500 0.074 0.000 0.783 350 K HN 0.192 nan 8.250 nan 0.000 0.484 351 T N 0.631 115.032 114.554 -0.254 0.000 2.946 351 T HA -0.110 4.239 4.350 -0.000 0.000 0.271 351 T C -0.019 174.420 174.700 -0.434 0.000 1.104 351 T CA 1.265 63.109 62.100 -0.426 0.000 1.114 351 T CB -0.226 68.224 68.868 -0.696 0.000 0.867 351 T HN 0.056 nan 8.240 nan 0.000 0.513 352 Y N 0.000 120.338 120.300 0.063 0.000 2.660 352 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 352 Y CA 0.000 58.138 58.100 0.063 0.000 1.940 352 Y CB 0.000 38.503 38.460 0.072 0.000 1.050 352 Y HN 0.000 nan 8.280 nan 0.000 0.758