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 2zdh_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PFYXXXTKYT PGRAELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT 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 0.000 176.311 176.300 0.019 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.034 0.000 0.988 1 M CB 0.000 32.531 32.600 -0.114 0.000 1.302 2 R N 3.705 124.220 120.500 0.025 0.000 2.538 2 R HA 0.895 5.236 4.340 0.001 0.000 0.292 2 R C -1.961 174.473 176.300 0.224 0.000 1.008 2 R CA -0.667 55.507 56.100 0.122 0.000 0.896 2 R CB 1.946 32.285 30.300 0.067 0.000 1.187 2 R HN 0.618 nan 8.270 nan 0.000 0.440 3 V N 5.020 125.076 119.914 0.237 0.000 2.547 3 V HA 0.449 4.569 4.120 0.001 0.000 0.299 3 V C -0.664 175.489 176.094 0.098 0.000 1.040 3 V CA -0.922 61.489 62.300 0.186 0.000 0.913 3 V CB 1.674 33.588 31.823 0.152 0.000 0.992 3 V HN 0.616 nan 8.190 nan 0.000 0.449 4 L N 5.240 126.389 121.223 -0.122 0.000 2.305 4 L HA 0.645 4.985 4.340 0.001 0.000 0.284 4 L C -0.877 175.915 176.870 -0.130 0.000 1.013 4 L CA -0.203 54.369 54.840 -0.446 0.000 0.819 4 L CB 1.293 42.797 42.059 -0.925 0.000 1.227 4 L HN 0.611 nan 8.230 nan 0.000 0.417 5 L N 6.546 127.699 121.223 -0.117 0.000 2.295 5 L HA 0.610 4.950 4.340 0.001 0.000 0.285 5 L C -0.856 175.945 176.870 -0.114 0.000 1.035 5 L CA 0.043 54.823 54.840 -0.099 0.000 0.806 5 L CB 1.098 43.068 42.059 -0.148 0.000 1.214 5 L HN 0.554 nan 8.230 nan 0.000 0.426 6 I N 5.352 125.863 120.570 -0.097 0.000 2.389 6 I HA 0.741 4.912 4.170 0.001 0.000 0.288 6 I C -0.157 175.842 176.117 -0.197 0.000 0.999 6 I CA -0.381 60.843 61.300 -0.127 0.000 1.129 6 I CB 1.534 39.513 38.000 -0.035 0.000 1.288 6 I HN 0.788 nan 8.210 nan 0.000 0.444 7 A N 4.042 126.720 122.820 -0.237 0.000 2.524 7 A HA 0.997 5.317 4.320 0.001 0.000 0.286 7 A C 0.212 177.633 177.584 -0.271 0.000 1.203 7 A CA -0.010 51.875 52.037 -0.254 0.000 0.736 7 A CB 1.363 20.223 19.000 -0.233 0.000 1.322 7 A HN 1.038 nan 8.150 nan 0.000 0.424 8 G N -0.828 107.791 108.800 -0.302 0.000 3.035 8 G HA2 0.539 4.499 3.960 0.001 0.000 0.242 8 G HA3 0.539 4.499 3.960 0.001 0.000 0.242 8 G C 1.447 176.289 174.900 -0.097 0.000 1.524 8 G CA 1.024 45.897 45.100 -0.379 0.000 1.038 8 G HN 3.161 nan 8.290 nan 0.000 0.561 9 G N -2.447 106.373 108.800 0.033 0.000 2.699 9 G HA2 0.299 4.260 3.960 0.001 0.000 0.686 9 G HA3 0.299 4.260 3.960 0.001 0.000 0.686 9 G C 0.934 175.923 174.900 0.148 0.000 1.301 9 G CA 1.305 46.431 45.100 0.044 0.000 0.816 9 G HN 2.300 nan 8.290 nan 0.000 0.595 10 V N -1.402 118.560 119.914 0.080 0.000 3.541 10 V HA 0.429 4.550 4.120 0.001 0.000 0.267 10 V C 1.768 177.928 176.094 0.109 0.000 1.213 10 V CA 1.601 63.942 62.300 0.068 0.000 1.149 10 V CB -0.515 31.337 31.823 0.049 0.000 0.822 10 V HN 2.163 nan 8.190 nan 0.000 0.462 11 S N 1.094 116.880 115.700 0.143 0.000 2.596 11 S HA 0.313 4.783 4.470 0.001 0.000 0.260 11 S C -1.234 173.429 174.600 0.106 0.000 1.336 11 S CA -0.252 58.019 58.200 0.118 0.000 0.993 11 S CB 0.418 63.684 63.200 0.110 0.000 0.923 11 S HN 0.279 nan 8.310 nan 0.000 0.567 12 P HA 0.056 nan 4.420 nan 0.000 0.230 12 P C 0.376 177.732 177.300 0.092 0.000 1.158 12 P CA 0.861 63.999 63.100 0.064 0.000 0.769 12 P CB -0.038 31.675 31.700 0.021 0.000 0.807 13 E N -1.950 118.318 120.200 0.113 0.000 2.437 13 E HA -0.068 4.282 4.350 0.001 0.000 0.189 13 E C 1.508 178.208 176.600 0.166 0.000 1.054 13 E CA -0.199 56.280 56.400 0.132 0.000 0.874 13 E CB -0.426 29.361 29.700 0.146 0.000 1.011 13 E HN 0.424 nan 8.360 nan 0.000 0.474 14 H N 2.004 121.111 119.070 0.061 0.000 2.267 14 H HA -0.224 4.332 4.556 0.000 0.000 0.291 14 H C 1.211 176.563 175.328 0.041 0.000 1.094 14 H CA 2.178 58.246 56.048 0.034 0.000 1.227 14 H CB 0.509 30.279 29.762 0.014 0.000 1.351 14 H HN 0.151 nan 8.280 nan 0.000 0.483 15 E N 0.089 120.362 120.200 0.121 0.000 2.058 15 E HA -0.112 4.238 4.350 0.001 0.000 0.194 15 E C 2.652 179.260 176.600 0.014 0.000 0.997 15 E CA 1.249 57.681 56.400 0.052 0.000 0.801 15 E CB -0.281 29.484 29.700 0.108 0.000 0.746 15 E HN 0.261 nan 8.360 nan 0.000 0.450 16 V N 0.466 120.419 119.914 0.064 0.000 2.407 16 V HA -0.271 3.850 4.120 0.001 0.000 0.248 16 V C 2.348 178.531 176.094 0.149 0.000 1.055 16 V CA 1.894 64.246 62.300 0.087 0.000 1.049 16 V CB -0.590 31.274 31.823 0.068 0.000 0.662 16 V HN 0.313 nan 8.190 nan 0.000 0.455 17 S N -0.414 115.378 115.700 0.153 0.000 2.368 17 S HA -0.139 4.331 4.470 0.001 0.000 0.225 17 S C 1.925 176.482 174.600 -0.072 0.000 1.030 17 S CA 1.574 59.794 58.200 0.032 0.000 0.999 17 S CB -0.289 62.816 63.200 -0.157 0.000 0.844 17 S HN 0.535 nan 8.310 nan 0.000 0.459 18 L N 0.821 121.961 121.223 -0.139 0.000 2.093 18 L HA -0.053 4.288 4.340 0.001 0.000 0.208 18 L C 2.444 179.291 176.870 -0.038 0.000 1.085 18 L CA 0.939 55.702 54.840 -0.129 0.000 0.755 18 L CB -0.510 41.450 42.059 -0.166 0.000 0.904 18 L HN 0.345 nan 8.230 nan 0.000 0.435 19 L N -1.007 120.220 121.223 0.005 0.000 2.046 19 L HA -0.186 4.154 4.340 0.001 0.000 0.208 19 L C 2.711 179.628 176.870 0.079 0.000 1.077 19 L CA 1.044 55.909 54.840 0.041 0.000 0.747 19 L CB -0.394 41.695 42.059 0.049 0.000 0.896 19 L HN 0.195 nan 8.230 nan 0.000 0.432 20 S N -0.143 115.626 115.700 0.116 0.000 2.382 20 S HA -0.151 4.319 4.470 0.001 0.000 0.228 20 S C 2.167 176.828 174.600 0.102 0.000 1.027 20 S CA 1.149 59.460 58.200 0.185 0.000 0.991 20 S CB -0.241 63.133 63.200 0.289 0.000 0.823 20 S HN 0.502 nan 8.310 nan 0.000 0.469 21 A N 1.364 124.179 122.820 -0.007 0.000 1.933 21 A HA -0.144 4.177 4.320 0.001 0.000 0.218 21 A C 2.025 179.610 177.584 0.003 0.000 1.175 21 A CA 1.603 53.597 52.037 -0.073 0.000 0.628 21 A CB -0.559 18.370 19.000 -0.117 0.000 0.814 21 A HN 0.583 nan 8.150 nan 0.000 0.444 22 E N -0.477 119.744 120.200 0.034 0.000 2.077 22 E HA -0.144 4.206 4.350 0.001 0.000 0.193 22 E C 2.075 178.753 176.600 0.129 0.000 0.989 22 E CA 1.112 57.547 56.400 0.059 0.000 0.800 22 E CB -0.397 29.332 29.700 0.049 0.000 0.746 22 E HN 0.523 nan 8.360 nan 0.000 0.452 23 G N 0.471 109.384 108.800 0.188 0.000 2.421 23 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 23 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 23 G C 1.662 176.879 174.900 0.529 0.000 1.171 23 G CA 0.940 46.241 45.100 0.335 0.000 0.775 23 G HN 0.226 nan 8.290 nan 0.000 0.543 24 V N 1.069 121.199 119.914 0.360 0.000 2.295 24 V HA -0.144 3.976 4.120 0.001 0.000 0.246 24 V C 2.921 179.107 176.094 0.154 0.000 1.049 24 V CA 1.511 63.940 62.300 0.215 0.000 1.024 24 V CB -0.521 31.268 31.823 -0.058 0.000 0.648 24 V HN 0.333 nan 8.190 nan 0.000 0.447 25 L N -0.527 120.752 121.223 0.094 0.000 2.083 25 L HA -0.185 4.155 4.340 0.001 0.000 0.209 25 L C 2.749 179.654 176.870 0.058 0.000 1.083 25 L CA 1.589 56.464 54.840 0.058 0.000 0.752 25 L CB -0.555 41.520 42.059 0.027 0.000 0.899 25 L HN 0.263 nan 8.230 nan 0.000 0.433 26 R N -1.079 119.474 120.500 0.089 0.000 2.148 26 R HA -0.114 4.226 4.340 0.001 0.000 0.227 26 R C 1.191 177.307 176.300 -0.306 0.000 1.103 26 R CA 1.073 57.123 56.100 -0.084 0.000 0.983 26 R CB -0.113 30.154 30.300 -0.054 0.000 0.874 26 R HN 0.490 nan 8.270 nan 0.000 0.451 27 H N -1.678 117.502 119.070 0.184 0.000 3.233 27 H HA 0.242 4.799 4.556 0.000 0.000 0.263 27 H C -0.153 175.197 175.328 0.037 0.000 1.168 27 H CA -0.522 55.620 56.048 0.157 0.000 1.159 27 H CB 0.718 30.704 29.762 0.374 0.000 1.593 27 H HN 0.006 nan 8.280 nan 0.000 0.580 28 I N 4.956 125.592 120.570 0.111 0.000 2.598 28 I HA 0.040 4.210 4.170 0.001 0.000 0.284 28 I C -1.461 174.643 176.117 -0.023 0.000 1.140 28 I CA -1.724 59.610 61.300 0.057 0.000 1.420 28 I CB 1.065 39.139 38.000 0.123 0.000 1.387 28 I HN 0.036 nan 8.210 nan 0.000 0.553 29 P HA 0.142 nan 4.420 nan 0.000 0.253 29 P C -0.995 175.937 177.300 -0.614 0.000 1.508 29 P CA 0.332 63.190 63.100 -0.403 0.000 0.883 29 P CB -0.395 30.999 31.700 -0.511 0.000 1.519 30 F N -0.187 119.793 119.950 0.049 0.000 2.613 30 F HA 0.454 4.981 4.527 0.001 0.000 0.310 30 F C -2.354 173.479 175.800 0.055 0.000 1.085 30 F CA -3.031 55.000 58.000 0.051 0.000 0.945 30 F CB 0.769 39.805 39.000 0.059 0.000 1.298 30 F HN -0.329 nan 8.300 nan 0.000 0.455 31 P HA 0.195 nan 4.420 nan 0.000 0.263 31 P C -0.877 176.536 177.300 0.190 0.000 1.195 31 P CA 0.330 63.531 63.100 0.169 0.000 0.762 31 P CB 0.492 32.272 31.700 0.134 0.000 0.799 32 T N 2.595 117.241 114.554 0.153 0.000 2.912 32 T HA 0.383 4.734 4.350 0.001 0.000 0.299 32 T C -0.890 173.878 174.700 0.113 0.000 1.052 32 T CA -0.627 61.561 62.100 0.147 0.000 0.996 32 T CB 1.429 70.371 68.868 0.122 0.000 1.070 32 T HN 0.185 nan 8.240 nan 0.000 0.465 33 D N 1.391 121.859 120.400 0.112 0.000 2.299 33 D HA 0.640 5.280 4.640 0.001 0.000 0.243 33 D C -0.882 175.398 176.300 -0.033 0.000 0.982 33 D CA -0.536 53.508 54.000 0.072 0.000 0.924 33 D CB 2.255 43.165 40.800 0.183 0.000 1.238 33 D HN 0.286 nan 8.370 nan 0.000 0.484 34 L N 0.693 121.898 121.223 -0.031 0.000 2.362 34 L HA 0.760 5.101 4.340 0.001 0.000 0.271 34 L C -1.361 175.476 176.870 -0.055 0.000 1.002 34 L CA -0.542 54.261 54.840 -0.062 0.000 0.818 34 L CB 1.675 43.705 42.059 -0.049 0.000 1.298 34 L HN 0.444 nan 8.230 nan 0.000 0.420 35 A N 4.330 127.107 122.820 -0.071 0.000 2.386 35 A HA 0.852 5.172 4.320 0.001 0.000 0.311 35 A C -1.536 175.984 177.584 -0.106 0.000 1.068 35 A CA -0.555 51.469 52.037 -0.021 0.000 0.743 35 A CB 1.754 20.796 19.000 0.070 0.000 1.258 35 A HN 0.540 nan 8.150 nan 0.000 0.429 36 V N 2.958 122.813 119.914 -0.099 0.000 2.604 36 V HA 0.416 4.536 4.120 0.001 0.000 0.305 36 V C -0.463 175.451 176.094 -0.301 0.000 1.043 36 V CA -0.327 61.862 62.300 -0.186 0.000 0.888 36 V CB 1.837 33.611 31.823 -0.082 0.000 0.995 36 V HN 0.767 nan 8.190 nan 0.000 0.429 37 I N 4.051 124.361 120.570 -0.432 0.000 2.307 37 I HA 0.532 4.702 4.170 0.001 0.000 0.289 37 I C 0.777 176.825 176.117 -0.115 0.000 1.021 37 I CA -0.247 60.752 61.300 -0.503 0.000 1.224 37 I CB 1.440 39.061 38.000 -0.633 0.000 1.376 37 I HN 0.741 nan 8.210 nan 0.000 0.470 38 A N 5.505 128.304 122.820 -0.036 0.000 2.346 38 A HA 0.171 4.491 4.320 0.001 0.000 0.252 38 A C 1.056 178.607 177.584 -0.055 0.000 1.089 38 A CA -0.177 51.876 52.037 0.026 0.000 0.797 38 A CB 0.349 19.363 19.000 0.023 0.000 1.047 38 A HN 0.826 nan 8.150 nan 0.000 0.494 39 Q N -0.007 119.664 119.800 -0.215 0.000 2.368 39 Q HA -0.174 4.167 4.340 0.001 0.000 0.210 39 Q C 0.390 176.332 176.000 -0.097 0.000 0.982 39 Q CA 1.419 57.080 55.803 -0.236 0.000 0.884 39 Q CB -0.126 28.391 28.738 -0.368 0.000 0.933 39 Q HN 0.900 nan 8.270 nan 0.000 0.460 40 D N -1.384 118.980 120.400 -0.059 0.000 2.339 40 D HA 0.058 4.698 4.640 0.001 0.000 0.217 40 D C 1.170 177.469 176.300 -0.002 0.000 1.050 40 D CA 0.719 54.706 54.000 -0.022 0.000 0.856 40 D CB 0.186 40.981 40.800 -0.008 0.000 0.922 40 D HN 0.237 nan 8.370 nan 0.000 0.518 41 G N 0.326 109.122 108.800 -0.007 0.000 2.199 41 G HA2 -0.319 3.642 3.960 0.001 0.000 0.254 41 G HA3 -0.319 3.642 3.960 0.001 0.000 0.254 41 G C 0.328 175.322 174.900 0.156 0.000 0.982 41 G CA -0.022 45.086 45.100 0.014 0.000 0.632 41 G HN 0.480 nan 8.290 nan 0.000 0.529 42 R N -0.739 119.859 120.500 0.163 0.000 2.459 42 R HA 0.524 4.864 4.340 0.001 0.000 0.281 42 R C -0.227 176.291 176.300 0.362 0.000 1.050 42 R CA -0.591 55.686 56.100 0.295 0.000 1.055 42 R CB 0.616 31.016 30.300 0.167 0.000 1.045 42 R HN 0.199 nan 8.270 nan 0.000 0.495 43 W N 2.134 123.514 121.300 0.133 0.000 2.375 43 W HA 0.413 5.073 4.660 0.001 0.000 0.336 43 W C -0.327 176.297 176.519 0.175 0.000 1.160 43 W CA -0.409 57.020 57.345 0.141 0.000 1.266 43 W CB 0.420 29.958 29.460 0.131 0.000 1.195 43 W HN 0.216 nan 8.180 nan 0.000 0.599 44 L N 3.384 124.798 121.223 0.319 0.000 2.381 44 L HA 0.536 4.876 4.340 0.001 0.000 0.274 44 L C -0.366 176.618 176.870 0.191 0.000 0.988 44 L CA -0.712 54.266 54.840 0.229 0.000 0.824 44 L CB 0.909 43.040 42.059 0.120 0.000 1.263 44 L HN 0.208 nan 8.230 nan 0.000 0.410 45 L N 1.368 122.699 121.223 0.179 0.000 2.271 45 L HA 0.797 5.137 4.340 0.001 0.000 0.265 45 L C 1.111 178.022 176.870 0.069 0.000 1.013 45 L CA -0.536 54.359 54.840 0.092 0.000 0.820 45 L CB 1.541 43.608 42.059 0.013 0.000 1.352 45 L HN 0.776 nan 8.230 nan 0.000 0.443 46 G N 0.332 109.156 108.800 0.040 0.000 2.634 46 G HA2 -0.339 3.621 3.960 0.001 0.000 0.309 46 G HA3 -0.339 3.621 3.960 0.001 0.000 0.309 46 G C 0.672 175.595 174.900 0.037 0.000 1.265 46 G CA 0.841 45.964 45.100 0.038 0.000 0.998 46 G HN 0.788 nan 8.290 nan 0.000 0.551 47 E N 0.480 120.702 120.200 0.036 0.000 2.110 47 E HA -0.110 4.241 4.350 0.001 0.000 0.193 47 E C 2.598 179.219 176.600 0.035 0.000 0.988 47 E CA 1.334 57.752 56.400 0.031 0.000 0.804 47 E CB -0.152 29.565 29.700 0.028 0.000 0.745 47 E HN 0.549 nan 8.360 nan 0.000 0.458 48 K N 0.480 120.907 120.400 0.047 0.000 2.152 48 K HA -0.152 4.168 4.320 0.001 0.000 0.206 48 K C 2.178 178.806 176.600 0.046 0.000 1.048 48 K CA 1.057 57.374 56.287 0.050 0.000 0.933 48 K CB -0.133 32.410 32.500 0.071 0.000 0.721 48 K HN 0.064 nan 8.250 nan 0.000 0.447 49 A N 1.619 124.466 122.820 0.044 0.000 1.873 49 A HA -0.113 4.207 4.320 0.001 0.000 0.215 49 A C 2.152 179.743 177.584 0.012 0.000 1.186 49 A CA 1.124 53.177 52.037 0.027 0.000 0.616 49 A CB -0.615 18.396 19.000 0.019 0.000 0.823 49 A HN 0.140 nan 8.150 nan 0.000 0.442 50 L N -0.655 120.577 121.223 0.014 0.000 2.083 50 L HA -0.165 4.175 4.340 0.001 0.000 0.209 50 L C 2.749 179.627 176.870 0.013 0.000 1.083 50 L CA 1.731 56.577 54.840 0.010 0.000 0.752 50 L CB -1.026 41.041 42.059 0.014 0.000 0.899 50 L HN 0.342 nan 8.230 nan 0.000 0.433 51 T N -0.009 114.557 114.554 0.019 0.000 2.746 51 T HA -0.162 4.188 4.350 0.001 0.000 0.267 51 T C 2.025 176.738 174.700 0.022 0.000 1.039 51 T CA 1.351 63.464 62.100 0.021 0.000 1.142 51 T CB -0.190 68.692 68.868 0.024 0.000 0.866 51 T HN 0.457 nan 8.240 nan 0.000 0.444 52 A N 1.144 123.979 122.820 0.025 0.000 1.933 52 A HA 0.009 4.329 4.320 0.001 0.000 0.218 52 A C 2.220 179.816 177.584 0.019 0.000 1.175 52 A CA 1.153 53.209 52.037 0.031 0.000 0.628 52 A CB -0.752 18.271 19.000 0.037 0.000 0.814 52 A HN 0.408 nan 8.150 nan 0.000 0.444 53 L N -0.079 121.146 121.223 0.003 0.000 2.046 53 L HA -0.151 4.189 4.340 0.001 0.000 0.208 53 L C 2.265 179.137 176.870 0.004 0.000 1.077 53 L CA 2.753 57.587 54.840 -0.009 0.000 0.747 53 L CB -0.594 41.456 42.059 -0.014 0.000 0.896 53 L HN 0.464 nan 8.230 nan 0.000 0.432 54 E N -0.017 120.190 120.200 0.011 0.000 2.077 54 E HA -0.155 4.196 4.350 0.001 0.000 0.193 54 E C 1.992 178.604 176.600 0.019 0.000 0.989 54 E CA 1.442 57.850 56.400 0.014 0.000 0.800 54 E CB -0.387 29.322 29.700 0.015 0.000 0.746 54 E HN 0.534 nan 8.360 nan 0.000 0.452 55 A N 1.083 123.917 122.820 0.024 0.000 2.209 55 A HA -0.090 4.230 4.320 0.001 0.000 0.212 55 A C 0.619 178.226 177.584 0.037 0.000 1.158 55 A CA 1.066 53.121 52.037 0.030 0.000 0.742 55 A CB -0.818 18.202 19.000 0.034 0.000 0.790 55 A HN 0.399 nan 8.150 nan 0.000 0.472 56 K N -2.694 117.725 120.400 0.031 0.000 2.975 56 K HA -0.097 4.223 4.320 0.001 0.000 0.257 56 K C -0.146 176.492 176.600 0.065 0.000 1.005 56 K CA 0.775 57.081 56.287 0.030 0.000 0.738 56 K CB -2.918 29.599 32.500 0.029 0.000 1.236 56 K HN 1.699 nan 8.250 nan 0.000 0.483 57 A N -0.644 122.239 122.820 0.104 0.000 2.573 57 A HA 0.611 4.931 4.320 0.001 0.000 0.312 57 A C -1.073 176.632 177.584 0.202 0.000 1.041 57 A CA -0.284 51.887 52.037 0.222 0.000 0.880 57 A CB 1.256 20.340 19.000 0.140 0.000 1.249 57 A HN 1.050 nan 8.150 nan 0.000 0.385 58 A N 4.136 127.153 122.820 0.327 0.000 2.709 58 A HA 0.753 5.074 4.320 0.001 0.000 0.332 58 A C -2.206 175.359 177.584 -0.032 0.000 1.241 58 A CA -1.496 50.621 52.037 0.133 0.000 0.782 58 A CB 0.494 19.597 19.000 0.172 0.000 1.109 58 A HN 0.377 nan 8.150 nan 0.000 0.472 59 P HA -0.085 nan 4.420 nan 0.000 0.217 59 P C 0.124 177.389 177.300 -0.059 0.000 1.150 59 P CA 1.351 64.397 63.100 -0.090 0.000 0.832 59 P CB 0.343 32.016 31.700 -0.046 0.000 0.787 60 E N -0.936 119.253 120.200 -0.019 0.000 2.256 60 E HA 0.551 4.902 4.350 0.001 0.000 0.267 60 E C -0.135 176.479 176.600 0.023 0.000 0.892 60 E CA -0.858 55.541 56.400 -0.001 0.000 0.775 60 E CB 2.022 31.723 29.700 0.001 0.000 1.207 60 E HN -0.060 nan 8.360 nan 0.000 0.420 61 G N 0.387 109.211 108.800 0.040 0.000 2.820 61 G HA2 0.194 4.155 3.960 0.001 0.000 0.291 61 G HA3 0.194 4.155 3.960 0.001 0.000 0.291 61 G C 0.134 175.068 174.900 0.056 0.000 1.323 61 G CA -0.239 44.908 45.100 0.079 0.000 1.055 61 G HN 0.605 nan 8.290 nan 0.000 0.520 62 E N -1.508 118.733 120.200 0.068 0.000 2.228 62 E HA 0.071 4.422 4.350 0.001 0.000 0.197 62 E C -0.220 176.262 176.600 -0.197 0.000 0.909 62 E CA -0.014 56.323 56.400 -0.106 0.000 0.911 62 E CB 0.331 29.899 29.700 -0.219 0.000 0.887 62 E HN 0.564 nan 8.360 nan 0.000 0.481 63 H N 1.881 121.018 119.070 0.112 0.000 2.488 63 H HA 0.292 4.848 4.556 0.000 0.000 0.322 63 H C -2.253 173.130 175.328 0.092 0.000 1.078 63 H CA -2.272 53.818 56.048 0.070 0.000 1.260 63 H CB 1.121 30.895 29.762 0.020 0.000 1.425 63 H HN 0.131 nan 8.280 nan 0.000 0.471 64 P HA -0.018 nan 4.420 nan 0.000 0.274 64 P C -0.336 177.003 177.300 0.066 0.000 1.231 64 P CA -0.380 62.796 63.100 0.128 0.000 0.790 64 P CB 0.852 32.596 31.700 0.073 0.000 0.951 65 F N 4.562 124.478 119.950 -0.056 0.000 2.529 65 F HA 0.264 4.792 4.527 0.000 0.000 0.365 65 F C -1.559 174.117 175.800 -0.207 0.000 1.102 65 F CA -1.466 56.403 58.000 -0.219 0.000 1.271 65 F CB -0.048 38.878 39.000 -0.123 0.000 1.120 65 F HN 0.233 nan 8.300 nan 0.000 0.579 66 P HA 0.298 nan 4.420 nan 0.000 0.284 66 P C -2.908 173.955 177.300 -0.728 0.000 1.253 66 P CA -1.431 60.772 63.100 -1.496 0.000 0.800 66 P CB 0.879 31.811 31.700 -1.280 0.000 0.961 67 P HA 0.242 nan 4.420 nan 0.000 0.274 67 P C -2.460 174.623 177.300 -0.360 0.000 1.231 67 P CA -1.736 61.021 63.100 -0.572 0.000 0.790 67 P CB -0.509 30.694 31.700 -0.829 0.000 0.951 68 P HA 0.297 nan 4.420 nan 0.000 0.226 68 P C -0.341 176.776 177.300 -0.305 0.000 1.783 68 P CA 0.232 63.181 63.100 -0.252 0.000 0.980 68 P CB -0.234 31.335 31.700 -0.218 0.000 1.967 69 L N 0.308 121.308 121.223 -0.371 0.000 2.309 69 L HA 0.343 4.683 4.340 0.001 0.000 0.282 69 L C 0.265 176.828 176.870 -0.511 0.000 1.036 69 L CA -0.495 54.016 54.840 -0.549 0.000 0.806 69 L CB 1.269 42.739 42.059 -0.982 0.000 1.220 69 L HN -0.089 nan 8.230 nan 0.000 0.429 70 S N 4.084 119.606 115.700 -0.298 0.000 3.919 70 S HA 0.019 4.489 4.470 0.001 0.000 0.245 70 S C 0.509 175.073 174.600 -0.060 0.000 1.344 70 S CA -0.371 57.745 58.200 -0.140 0.000 0.896 70 S CB -0.325 62.808 63.200 -0.112 0.000 1.557 70 S HN 0.647 nan 8.310 nan 0.000 0.468 71 W N 2.152 123.504 121.300 0.087 0.000 2.350 71 W HA -0.178 4.482 4.660 0.000 0.000 0.289 71 W C 2.373 178.946 176.519 0.089 0.000 1.215 71 W CA 0.838 58.270 57.345 0.145 0.000 1.236 71 W CB -0.184 29.287 29.460 0.017 0.000 1.130 71 W HN 0.605 nan 8.180 nan 0.000 0.541 72 E N 1.481 121.795 120.200 0.189 0.000 2.265 72 E HA -0.202 4.148 4.350 0.001 0.000 0.196 72 E C 1.502 178.074 176.600 -0.047 0.000 0.996 72 E CA 1.195 57.636 56.400 0.067 0.000 0.832 72 E CB -0.712 29.003 29.700 0.025 0.000 0.756 72 E HN 0.385 nan 8.360 nan 0.000 0.491 73 R N -0.372 120.006 120.500 -0.203 0.000 2.323 73 R HA 0.077 4.418 4.340 0.001 0.000 0.198 73 R C -0.156 175.732 176.300 -0.686 0.000 0.988 73 R CA 0.337 56.144 56.100 -0.488 0.000 1.041 73 R CB -0.006 29.869 30.300 -0.708 0.000 0.926 73 R HN 0.160 nan 8.270 nan 0.000 0.476 74 Y N -0.845 119.479 120.300 0.040 0.000 2.409 74 Y HA 0.203 4.753 4.550 0.001 0.000 0.343 74 Y C 0.654 176.578 175.900 0.041 0.000 0.973 74 Y CA -1.373 56.755 58.100 0.046 0.000 1.064 74 Y CB 1.544 40.054 38.460 0.084 0.000 1.207 74 Y HN -0.165 nan 8.280 nan 0.000 0.452 75 D N 1.124 121.613 120.400 0.147 0.000 2.240 75 D HA 0.085 4.726 4.640 0.001 0.000 0.206 75 D C -0.301 176.032 176.300 0.054 0.000 0.963 75 D CA 1.176 55.209 54.000 0.055 0.000 0.863 75 D CB 0.842 41.628 40.800 -0.023 0.000 0.973 75 D HN 0.173 nan 8.370 nan 0.000 0.501 76 V N 1.068 121.033 119.914 0.085 0.000 2.932 76 V HA 0.257 4.377 4.120 0.001 0.000 0.307 76 V C -0.368 175.797 176.094 0.118 0.000 1.147 76 V CA -0.871 61.466 62.300 0.062 0.000 0.951 76 V CB 3.050 34.853 31.823 -0.032 0.000 1.031 76 V HN -0.274 nan 8.190 nan 0.000 0.426 77 V N 4.139 124.142 119.914 0.149 0.000 2.435 77 V HA 0.492 4.612 4.120 0.001 0.000 0.290 77 V C -0.904 175.319 176.094 0.215 0.000 1.030 77 V CA -0.477 61.931 62.300 0.179 0.000 0.881 77 V CB 1.726 33.685 31.823 0.227 0.000 0.983 77 V HN 0.697 nan 8.190 nan 0.000 0.445 78 F N 8.353 128.313 119.950 0.017 0.000 2.307 78 F HA 0.548 5.075 4.527 0.001 0.000 0.369 78 F C -2.346 173.429 175.800 -0.041 0.000 1.076 78 F CA -3.520 54.468 58.000 -0.020 0.000 1.149 78 F CB 1.506 40.467 39.000 -0.065 0.000 1.410 78 F HN 0.311 nan 8.300 nan 0.000 0.481 79 P HA 0.123 nan 4.420 nan 0.000 0.279 79 P C -0.141 177.231 177.300 0.120 0.000 1.318 79 P CA 0.124 63.322 63.100 0.165 0.000 0.819 79 P CB 0.957 32.714 31.700 0.096 0.000 0.927 80 L N 4.926 126.092 121.223 -0.095 0.000 3.029 80 L HA 0.290 4.630 4.340 0.001 0.000 0.231 80 L C 0.102 176.732 176.870 -0.400 0.000 1.327 80 L CA -0.315 54.361 54.840 -0.273 0.000 1.166 80 L CB -0.148 41.646 42.059 -0.441 0.000 1.532 80 L HN 0.249 nan 8.230 nan 0.000 0.473 81 L N -0.048 120.997 121.223 -0.298 0.000 2.307 81 L HA 0.466 4.806 4.340 0.001 0.000 0.284 81 L C -0.277 176.431 176.870 -0.271 0.000 1.023 81 L CA -0.767 53.898 54.840 -0.290 0.000 0.810 81 L CB 1.303 43.297 42.059 -0.109 0.000 1.231 81 L HN 0.168 nan 8.230 nan 0.000 0.423 82 H N 1.813 120.897 119.070 0.023 0.000 2.463 82 H HA 0.600 5.157 4.556 0.001 0.000 0.332 82 H C 0.588 175.931 175.328 0.025 0.000 1.127 82 H CA 0.214 56.279 56.048 0.029 0.000 1.238 82 H CB 1.851 31.632 29.762 0.031 0.000 1.478 82 H HN 0.805 nan 8.280 nan 0.000 0.499 83 G N 1.869 110.751 108.800 0.137 0.000 2.562 83 G HA2 -0.283 3.677 3.960 0.001 0.000 0.250 83 G HA3 -0.283 3.677 3.960 0.001 0.000 0.250 83 G C 0.120 175.027 174.900 0.012 0.000 1.269 83 G CA -0.134 44.999 45.100 0.056 0.000 0.919 83 G HN 0.777 nan 8.290 nan 0.000 0.574 84 R N -0.197 120.280 120.500 -0.039 0.000 2.583 84 R HA 0.289 4.629 4.340 0.001 0.000 0.274 84 R C 0.558 176.830 176.300 -0.047 0.000 0.998 84 R CA 0.934 56.934 56.100 -0.166 0.000 1.081 84 R CB -0.583 29.562 30.300 -0.259 0.000 0.940 84 R HN 1.094 nan 8.270 nan 0.000 0.413 85 F N 1.237 121.178 119.950 -0.015 0.000 2.988 85 F HA -0.290 4.237 4.527 0.000 0.000 0.287 85 F C 1.042 176.824 175.800 -0.030 0.000 0.781 85 F CA 0.509 58.489 58.000 -0.034 0.000 1.221 85 F CB -1.409 37.562 39.000 -0.048 0.000 1.392 85 F HN 0.853 nan 8.300 nan 0.000 0.425 86 G N -0.605 108.260 108.800 0.108 0.000 2.570 86 G HA2 0.155 4.115 3.960 0.001 0.000 0.213 86 G HA3 0.155 4.115 3.960 0.001 0.000 0.213 86 G C 0.686 175.609 174.900 0.039 0.000 1.391 86 G CA 0.329 45.465 45.100 0.059 0.000 0.533 86 G HN 0.353 nan 8.290 nan 0.000 1.072 87 E N 0.874 121.094 120.200 0.034 0.000 2.498 87 E HA 0.091 4.441 4.350 0.001 0.000 0.203 87 E C 0.542 177.144 176.600 0.003 0.000 1.013 87 E CA 0.333 56.749 56.400 0.028 0.000 0.927 87 E CB 0.624 30.348 29.700 0.041 0.000 1.012 87 E HN 0.505 nan 8.360 nan 0.000 0.482 88 D N -0.807 119.587 120.400 -0.011 0.000 2.349 88 D HA 0.079 4.719 4.640 0.001 0.000 0.214 88 D C 1.333 177.624 176.300 -0.014 0.000 1.063 88 D CA 0.570 54.552 54.000 -0.031 0.000 0.847 88 D CB 0.460 41.211 40.800 -0.081 0.000 0.933 88 D HN 0.141 nan 8.370 nan 0.000 0.513 89 G N 0.018 108.821 108.800 0.005 0.000 2.213 89 G HA2 -0.381 3.580 3.960 0.001 0.000 0.236 89 G HA3 -0.381 3.580 3.960 0.001 0.000 0.236 89 G C 1.297 176.213 174.900 0.027 0.000 0.991 89 G CA 0.860 45.968 45.100 0.013 0.000 0.629 89 G HN 0.548 nan 8.290 nan 0.000 0.517 90 T N -1.340 113.245 114.554 0.051 0.000 2.668 90 T HA -0.014 4.336 4.350 0.001 0.000 0.262 90 T C 2.290 177.050 174.700 0.100 0.000 1.045 90 T CA 2.474 64.632 62.100 0.097 0.000 1.152 90 T CB -0.662 68.329 68.868 0.206 0.000 0.864 90 T HN 1.059 nan 8.240 nan 0.000 0.419 91 V N 1.684 121.659 119.914 0.102 0.000 2.407 91 V HA -0.176 3.944 4.120 0.001 0.000 0.248 91 V C 2.648 178.742 176.094 -0.001 0.000 1.055 91 V CA 2.207 64.585 62.300 0.130 0.000 1.049 91 V CB -0.880 31.016 31.823 0.122 0.000 0.662 91 V HN 0.458 nan 8.190 nan 0.000 0.455 92 Q N 0.641 120.361 119.800 -0.133 0.000 2.124 92 Q HA -0.047 4.293 4.340 0.001 0.000 0.202 92 Q C 2.217 178.084 176.000 -0.221 0.000 0.977 92 Q CA 1.903 57.468 55.803 -0.397 0.000 0.850 92 Q CB -1.003 27.616 28.738 -0.200 0.000 0.901 92 Q HN 0.708 nan 8.270 nan 0.000 0.429 93 G N -0.453 108.329 108.800 -0.030 0.000 2.402 93 G HA2 -0.259 3.701 3.960 0.001 0.000 0.216 93 G HA3 -0.259 3.701 3.960 0.001 0.000 0.216 93 G C 1.278 176.223 174.900 0.075 0.000 1.162 93 G CA 0.440 45.561 45.100 0.035 0.000 0.777 93 G HN 0.432 nan 8.290 nan 0.000 0.539 94 F N 1.022 120.938 119.950 -0.056 0.000 2.102 94 F HA -0.045 4.483 4.527 0.000 0.000 0.298 94 F C 2.427 178.121 175.800 -0.176 0.000 1.105 94 F CA 0.961 58.934 58.000 -0.046 0.000 1.239 94 F CB 0.011 39.063 39.000 0.087 0.000 0.991 94 F HN 0.038 nan 8.300 nan 0.000 0.474 95 L N 0.122 121.109 121.223 -0.394 0.000 2.131 95 L HA -0.182 4.158 4.340 0.001 0.000 0.210 95 L C 2.470 179.176 176.870 -0.274 0.000 1.092 95 L CA 0.960 55.480 54.840 -0.533 0.000 0.759 95 L CB -0.769 40.968 42.059 -0.537 0.000 0.903 95 L HN 0.169 nan 8.230 nan 0.000 0.435 96 E N 0.490 120.620 120.200 -0.116 0.000 2.077 96 E HA -0.176 4.174 4.350 0.001 0.000 0.193 96 E C 2.355 178.916 176.600 -0.066 0.000 0.989 96 E CA 1.167 57.575 56.400 0.014 0.000 0.800 96 E CB -0.223 29.516 29.700 0.065 0.000 0.746 96 E HN 0.509 nan 8.360 nan 0.000 0.452 97 L N 0.304 121.469 121.223 -0.097 0.000 2.201 97 L HA -0.157 4.184 4.340 0.001 0.000 0.212 97 L C 2.263 179.023 176.870 -0.183 0.000 1.105 97 L CA 0.299 55.084 54.840 -0.091 0.000 0.775 97 L CB -0.232 41.815 42.059 -0.021 0.000 0.913 97 L HN 0.101 nan 8.230 nan 0.000 0.440 98 L N 0.013 121.025 121.223 -0.351 0.000 2.478 98 L HA 0.106 4.446 4.340 0.001 0.000 0.223 98 L C 1.620 178.332 176.870 -0.263 0.000 1.140 98 L CA 1.216 55.778 54.840 -0.463 0.000 0.842 98 L CB -1.051 40.455 42.059 -0.922 0.000 0.953 98 L HN 0.384 nan 8.230 nan 0.000 0.452 99 G N -0.324 108.375 108.800 -0.169 0.000 2.176 99 G HA2 -0.284 3.676 3.960 0.001 0.000 0.252 99 G HA3 -0.284 3.676 3.960 0.001 0.000 0.252 99 G C 0.510 175.374 174.900 -0.060 0.000 1.024 99 G CA 0.150 45.198 45.100 -0.086 0.000 0.755 99 G HN 0.263 nan 8.290 nan 0.000 0.507 100 K N 0.523 120.882 120.400 -0.068 0.000 2.185 100 K HA 0.412 4.733 4.320 0.001 0.000 0.269 100 K C -2.461 174.190 176.600 0.086 0.000 0.987 100 K CA -1.846 54.443 56.287 0.002 0.000 0.865 100 K CB 1.917 34.407 32.500 -0.016 0.000 1.090 100 K HN 0.020 nan 8.250 nan 0.000 0.450 101 P HA 0.036 nan 4.420 nan 0.000 0.269 101 P C -1.216 176.118 177.300 0.056 0.000 1.209 101 P CA 0.177 63.254 63.100 -0.038 0.000 0.776 101 P CB 0.202 31.863 31.700 -0.065 0.000 0.876 102 Y N -0.933 119.327 120.300 -0.067 0.000 2.597 102 Y HA 0.620 5.170 4.550 0.000 0.000 0.340 102 Y C -1.032 174.792 175.900 -0.128 0.000 1.097 102 Y CA -1.717 56.341 58.100 -0.071 0.000 1.037 102 Y CB 0.378 38.813 38.460 -0.042 0.000 1.305 102 Y HN -0.005 nan 8.280 nan 0.000 0.463 103 V N 3.182 123.078 119.914 -0.029 0.000 2.686 103 V HA 0.605 4.726 4.120 0.001 0.000 0.295 103 V C 0.844 176.868 176.094 -0.117 0.000 1.055 103 V CA 0.973 63.109 62.300 -0.273 0.000 1.050 103 V CB 0.252 31.579 31.823 -0.827 0.000 0.984 103 V HN 1.480 nan 8.190 nan 0.000 0.482 104 G N 3.326 112.029 108.800 -0.162 0.000 2.660 104 G HA2 0.241 4.201 3.960 0.001 0.000 0.247 104 G HA3 0.241 4.201 3.960 0.001 0.000 0.247 104 G C -0.056 174.836 174.900 -0.013 0.000 1.328 104 G CA -0.295 44.769 45.100 -0.060 0.000 0.884 104 G HN 1.609 nan 8.290 nan 0.000 0.531 105 A N -0.064 122.761 122.820 0.008 0.000 2.483 105 A HA 0.689 5.009 4.320 0.001 0.000 0.238 105 A C 1.431 179.081 177.584 0.109 0.000 1.070 105 A CA 1.479 53.511 52.037 -0.009 0.000 0.770 105 A CB 0.085 19.059 19.000 -0.043 0.000 1.008 105 A HN 2.438 nan 8.150 nan 0.000 0.497 106 G N -0.212 108.623 108.800 0.058 0.000 2.553 106 G HA2 0.367 4.327 3.960 0.001 0.000 0.278 106 G HA3 0.367 4.327 3.960 0.001 0.000 0.278 106 G C 1.074 176.040 174.900 0.111 0.000 1.349 106 G CA 0.139 45.332 45.100 0.155 0.000 1.037 106 G HN 0.703 nan 8.290 nan 0.000 0.508 107 V N 0.932 120.910 119.914 0.106 0.000 2.233 107 V HA -0.223 3.898 4.120 0.001 0.000 0.247 107 V C 3.340 179.446 176.094 0.020 0.000 1.050 107 V CA 2.746 65.078 62.300 0.053 0.000 1.010 107 V CB -1.272 30.580 31.823 0.049 0.000 0.637 107 V HN 0.804 nan 8.190 nan 0.000 0.444 108 A N -0.027 122.799 122.820 0.009 0.000 1.858 108 A HA -0.143 4.177 4.320 0.001 0.000 0.216 108 A C 2.434 180.001 177.584 -0.029 0.000 1.190 108 A CA 2.420 54.451 52.037 -0.010 0.000 0.617 108 A CB -1.016 17.974 19.000 -0.016 0.000 0.827 108 A HN 0.613 nan 8.150 nan 0.000 0.443 109 A N -0.692 122.102 122.820 -0.045 0.000 1.902 109 A HA -0.078 4.242 4.320 0.001 0.000 0.217 109 A C 2.461 180.009 177.584 -0.059 0.000 1.181 109 A CA 2.176 54.168 52.037 -0.076 0.000 0.623 109 A CB -0.886 18.042 19.000 -0.119 0.000 0.818 109 A HN 0.466 nan 8.150 nan 0.000 0.443 110 S N -0.152 115.530 115.700 -0.030 0.000 2.348 110 S HA -0.042 4.428 4.470 0.001 0.000 0.221 110 S C 2.368 176.953 174.600 -0.024 0.000 1.033 110 S CA 1.251 59.440 58.200 -0.018 0.000 1.010 110 S CB -0.563 62.641 63.200 0.007 0.000 0.891 110 S HN 0.816 nan 8.310 nan 0.000 0.442 111 A N 1.167 123.976 122.820 -0.019 0.000 1.908 111 A HA -0.076 4.244 4.320 0.001 0.000 0.218 111 A C 2.139 179.706 177.584 -0.029 0.000 1.181 111 A CA 1.457 53.481 52.037 -0.021 0.000 0.627 111 A CB -0.679 18.314 19.000 -0.012 0.000 0.818 111 A HN 0.408 nan 8.150 nan 0.000 0.445 112 L N -0.523 120.680 121.223 -0.034 0.000 2.072 112 L HA -0.098 4.242 4.340 0.001 0.000 0.205 112 L C 2.425 179.260 176.870 -0.058 0.000 1.079 112 L CA 2.028 56.843 54.840 -0.041 0.000 0.752 112 L CB -0.825 41.207 42.059 -0.045 0.000 0.906 112 L HN 0.443 nan 8.230 nan 0.000 0.436 113 C N -0.832 118.430 119.300 -0.064 0.000 2.422 113 C HA -0.122 4.338 4.460 0.001 0.000 0.279 113 C C 2.716 177.665 174.990 -0.069 0.000 1.305 113 C CA 0.977 59.950 59.018 -0.075 0.000 1.757 113 C CB -0.756 26.941 27.740 -0.072 0.000 1.962 113 C HN 0.687 nan 8.230 nan 0.000 0.499 114 M N 0.884 120.452 119.600 -0.053 0.000 2.175 114 M HA 0.030 4.511 4.480 0.001 0.000 0.264 114 M C 0.713 176.982 176.300 -0.051 0.000 1.063 114 M CA 1.404 56.675 55.300 -0.048 0.000 1.119 114 M CB -0.472 32.103 32.600 -0.042 0.000 1.377 114 M HN 0.168 nan 8.290 nan 0.000 0.415 115 D N 0.794 121.166 120.400 -0.048 0.000 2.336 115 D HA 0.016 4.656 4.640 0.001 0.000 0.249 115 D C 0.315 176.574 176.300 -0.068 0.000 1.213 115 D CA 0.151 54.129 54.000 -0.038 0.000 0.870 115 D CB 0.659 41.449 40.800 -0.018 0.000 1.076 115 D HN 0.286 nan 8.370 nan 0.000 0.483 116 K N 2.755 123.113 120.400 -0.069 0.000 2.442 116 K HA -0.140 4.181 4.320 0.001 0.000 0.198 116 K C 0.905 177.388 176.600 -0.195 0.000 1.042 116 K CA 0.678 56.889 56.287 -0.127 0.000 0.958 116 K CB 0.399 32.850 32.500 -0.082 0.000 0.766 116 K HN 0.458 nan 8.250 nan 0.000 0.474 117 D N 0.770 121.125 120.400 -0.074 0.000 2.468 117 D HA -0.020 4.621 4.640 0.001 0.000 0.243 117 D C 1.899 178.212 176.300 0.021 0.000 0.994 117 D CA 0.389 54.404 54.000 0.024 0.000 0.932 117 D CB 0.007 40.932 40.800 0.209 0.000 1.078 117 D HN -0.038 nan 8.370 nan 0.000 0.473 118 L N 0.829 122.069 121.223 0.028 0.000 2.083 118 L HA -0.109 4.231 4.340 0.001 0.000 0.209 118 L C 2.645 179.495 176.870 -0.033 0.000 1.083 118 L CA 1.413 56.271 54.840 0.030 0.000 0.752 118 L CB -0.755 41.318 42.059 0.024 0.000 0.899 118 L HN 0.190 nan 8.230 nan 0.000 0.433 119 S N -0.151 115.491 115.700 -0.098 0.000 2.368 119 S HA -0.214 4.256 4.470 0.001 0.000 0.225 119 S C 1.934 176.419 174.600 -0.191 0.000 1.030 119 S CA 0.968 59.090 58.200 -0.131 0.000 0.999 119 S CB -0.313 62.796 63.200 -0.152 0.000 0.844 119 S HN 0.373 nan 8.310 nan 0.000 0.459 120 K N 1.064 121.252 120.400 -0.355 0.000 2.057 120 K HA 0.024 4.344 4.320 0.001 0.000 0.207 120 K C 2.651 179.089 176.600 -0.271 0.000 1.049 120 K CA 1.191 57.119 56.287 -0.597 0.000 0.931 120 K CB -0.193 31.375 32.500 -1.554 0.000 0.714 120 K HN 0.368 nan 8.250 nan 0.000 0.440 121 R N 0.463 120.976 120.500 0.022 0.000 2.083 121 R HA -0.118 4.223 4.340 0.001 0.000 0.237 121 R C 2.338 178.718 176.300 0.134 0.000 1.137 121 R CA 1.381 57.651 56.100 0.283 0.000 0.951 121 R CB -0.515 29.953 30.300 0.280 0.000 0.851 121 R HN 0.006 nan 8.270 nan 0.000 0.434 122 V N 1.572 121.515 119.914 0.049 0.000 2.295 122 V HA -0.226 3.894 4.120 0.001 0.000 0.246 122 V C 2.342 178.446 176.094 0.016 0.000 1.049 122 V CA 1.675 63.991 62.300 0.026 0.000 1.024 122 V CB -0.452 31.369 31.823 -0.005 0.000 0.648 122 V HN 0.278 nan 8.190 nan 0.000 0.447 123 L N 0.122 121.334 121.223 -0.019 0.000 2.046 123 L HA -0.153 4.188 4.340 0.001 0.000 0.208 123 L C 2.752 179.638 176.870 0.027 0.000 1.077 123 L CA 1.597 56.426 54.840 -0.018 0.000 0.747 123 L CB -0.856 41.160 42.059 -0.072 0.000 0.896 123 L HN 0.364 nan 8.230 nan 0.000 0.432 124 A N -0.783 122.075 122.820 0.063 0.000 1.933 124 A HA -0.248 4.072 4.320 0.001 0.000 0.218 124 A C 2.296 179.945 177.584 0.108 0.000 1.175 124 A CA 1.510 53.624 52.037 0.129 0.000 0.628 124 A CB -0.523 18.640 19.000 0.273 0.000 0.814 124 A HN 0.405 nan 8.150 nan 0.000 0.444 125 Q N -0.156 119.704 119.800 0.099 0.000 2.167 125 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 125 Q C 1.913 177.946 176.000 0.056 0.000 0.970 125 Q CA 1.568 57.417 55.803 0.077 0.000 0.855 125 Q CB -0.347 28.433 28.738 0.070 0.000 0.911 125 Q HN 0.574 nan 8.270 nan 0.000 0.438 126 A N -0.949 121.900 122.820 0.049 0.000 2.251 126 A HA 0.324 4.645 4.320 0.001 0.000 0.209 126 A C 1.383 178.992 177.584 0.042 0.000 1.187 126 A CA 0.992 53.053 52.037 0.040 0.000 0.823 126 A CB -0.205 18.814 19.000 0.031 0.000 0.846 126 A HN 0.508 nan 8.150 nan 0.000 0.486 127 G N -1.621 107.208 108.800 0.049 0.000 2.157 127 G HA2 -0.189 3.771 3.960 0.001 0.000 0.248 127 G HA3 -0.189 3.771 3.960 0.001 0.000 0.248 127 G C 0.114 175.040 174.900 0.043 0.000 0.979 127 G CA 0.094 45.222 45.100 0.046 0.000 0.650 127 G HN 0.755 nan 8.290 nan 0.000 0.529 128 V N 3.144 123.084 119.914 0.043 0.000 2.461 128 V HA 0.444 4.564 4.120 0.001 0.000 0.275 128 V C -1.085 175.033 176.094 0.041 0.000 1.047 128 V CA -1.303 61.022 62.300 0.041 0.000 0.955 128 V CB 1.391 33.231 31.823 0.029 0.000 0.988 128 V HN 0.272 nan 8.190 nan 0.000 0.471 129 P HA 0.241 nan 4.420 nan 0.000 0.271 129 P C -0.759 176.590 177.300 0.082 0.000 1.220 129 P CA 0.239 63.356 63.100 0.029 0.000 0.768 129 P CB 1.294 32.938 31.700 -0.092 0.000 0.848 130 V N 1.577 121.591 119.914 0.166 0.000 3.130 130 V HA 0.589 4.710 4.120 0.001 0.000 0.310 130 V C 0.283 176.584 176.094 0.346 0.000 1.158 130 V CA -1.328 61.072 62.300 0.168 0.000 1.029 130 V CB 1.480 33.267 31.823 -0.059 0.000 1.057 130 V HN 0.437 nan 8.190 nan 0.000 0.436 131 V N -1.269 118.791 119.914 0.243 0.000 2.811 131 V HA 0.533 4.653 4.120 0.001 0.000 0.302 131 V C -2.238 173.974 176.094 0.196 0.000 1.063 131 V CA -1.455 60.916 62.300 0.118 0.000 1.088 131 V CB 0.021 31.821 31.823 -0.039 0.000 0.982 131 V HN 0.889 nan 8.190 nan 0.000 0.485 132 P HA 0.267 nan 4.420 nan 0.000 0.266 132 P C -0.903 176.430 177.300 0.055 0.000 1.195 132 P CA 0.461 63.534 63.100 -0.045 0.000 0.768 132 P CB 0.177 31.570 31.700 -0.511 0.000 0.838 133 W N 2.698 123.986 121.300 -0.019 0.000 3.025 133 W HA 0.634 5.294 4.660 0.000 0.000 0.343 133 W C -2.149 174.532 176.519 0.270 0.000 1.246 133 W CA -1.110 56.352 57.345 0.195 0.000 1.178 133 W CB 0.872 30.400 29.460 0.114 0.000 1.463 133 W HN 0.330 nan 8.180 nan 0.000 0.578 134 V N -0.474 119.481 119.914 0.067 0.000 2.808 134 V HA 0.892 5.012 4.120 0.001 0.000 0.308 134 V C -0.418 175.721 176.094 0.074 0.000 1.099 134 V CA -0.818 61.394 62.300 -0.148 0.000 0.920 134 V CB 0.586 32.360 31.823 -0.081 0.000 1.014 134 V HN 1.475 nan 8.190 nan 0.000 0.425 135 A N 3.859 126.715 122.820 0.059 0.000 2.331 135 A HA 0.847 5.168 4.320 0.001 0.000 0.283 135 A C -0.275 177.378 177.584 0.114 0.000 1.142 135 A CA -0.507 51.637 52.037 0.178 0.000 0.812 135 A CB 1.051 20.169 19.000 0.198 0.000 1.074 135 A HN 1.550 nan 8.150 nan 0.000 0.497 136 V N 3.833 123.842 119.914 0.159 0.000 2.588 136 V HA 0.485 4.606 4.120 0.001 0.000 0.304 136 V C -0.235 176.057 176.094 0.329 0.000 1.042 136 V CA -0.947 61.474 62.300 0.202 0.000 0.877 136 V CB 1.637 33.582 31.823 0.203 0.000 0.996 136 V HN 0.932 nan 8.190 nan 0.000 0.425 137 R N 2.127 122.748 120.500 0.201 0.000 2.474 137 R HA 0.437 4.777 4.340 0.001 0.000 0.295 137 R C -0.236 175.928 176.300 -0.228 0.000 0.980 137 R CA -1.155 54.982 56.100 0.062 0.000 0.934 137 R CB 1.521 31.822 30.300 0.001 0.000 1.101 137 R HN 0.714 nan 8.270 nan 0.000 0.469 138 K N 0.542 120.529 120.400 -0.690 0.000 2.491 138 K HA 0.013 4.333 4.320 0.001 0.000 0.279 138 K C 0.933 177.241 176.600 -0.486 0.000 1.026 138 K CA 1.574 57.179 56.287 -1.137 0.000 1.070 138 K CB -0.132 31.853 32.500 -0.859 0.000 0.887 138 K HN 0.772 nan 8.250 nan 0.000 0.481 139 G N 2.797 111.371 108.800 -0.376 0.000 2.234 139 G HA2 -0.344 3.616 3.960 0.001 0.000 0.260 139 G HA3 -0.344 3.616 3.960 0.001 0.000 0.260 139 G C -0.088 174.749 174.900 -0.104 0.000 0.987 139 G CA 0.544 45.537 45.100 -0.177 0.000 0.625 139 G HN 0.711 nan 8.290 nan 0.000 0.532 140 E N 1.592 121.734 120.200 -0.097 0.000 2.073 140 E HA 0.526 4.876 4.350 0.001 0.000 0.269 140 E C -2.383 174.216 176.600 -0.001 0.000 0.917 140 E CA -2.305 54.070 56.400 -0.040 0.000 0.757 140 E CB 0.965 30.645 29.700 -0.033 0.000 1.111 140 E HN 0.125 nan 8.360 nan 0.000 0.410 141 P HA -0.022 nan 4.420 nan 0.000 0.257 141 P C -2.365 174.934 177.300 -0.001 0.000 1.162 141 P CA -0.473 62.629 63.100 0.003 0.000 0.762 141 P CB 0.016 31.707 31.700 -0.014 0.000 0.753 142 P HA 0.102 nan 4.420 nan 0.000 0.275 142 P C -0.991 176.268 177.300 -0.069 0.000 1.228 142 P CA -0.010 63.076 63.100 -0.025 0.000 0.786 142 P CB 0.909 32.594 31.700 -0.025 0.000 0.927 143 V N 3.619 123.478 119.914 -0.091 0.000 2.320 143 V HA 0.103 4.223 4.120 0.001 0.000 0.268 143 V C 0.246 176.246 176.094 -0.155 0.000 1.021 143 V CA -0.774 61.459 62.300 -0.111 0.000 0.813 143 V CB 1.539 33.312 31.823 -0.082 0.000 1.054 143 V HN 0.432 nan 8.190 nan 0.000 0.444 144 V N 8.002 127.783 119.914 -0.222 0.000 2.385 144 V HA 0.452 4.572 4.120 0.001 0.000 0.269 144 V C -0.748 175.178 176.094 -0.280 0.000 1.043 144 V CA -1.328 60.728 62.300 -0.408 0.000 0.906 144 V CB 1.899 33.288 31.823 -0.723 0.000 0.995 144 V HN 0.708 nan 8.190 nan 0.000 0.467 145 P HA 0.114 nan 4.420 nan 0.000 0.249 145 P C -0.396 177.042 177.300 0.231 0.000 1.241 145 P CA 0.290 63.424 63.100 0.056 0.000 0.781 145 P CB -0.355 31.418 31.700 0.121 0.000 1.088 146 F N -1.866 118.209 119.950 0.208 0.000 2.603 146 F HA 0.623 5.150 4.527 0.000 0.000 0.317 146 F C -0.329 175.726 175.800 0.426 0.000 1.066 146 F CA -1.823 56.330 58.000 0.255 0.000 0.941 146 F CB 0.521 39.647 39.000 0.209 0.000 1.291 146 F HN -0.382 nan 8.300 nan 0.000 0.472 147 D N 1.462 122.120 120.400 0.430 0.000 2.348 147 D HA 0.351 4.991 4.640 0.001 0.000 0.249 147 D C -2.419 173.702 176.300 -0.298 0.000 1.110 147 D CA -1.018 53.061 54.000 0.133 0.000 0.967 147 D CB 1.180 42.026 40.800 0.078 0.000 1.139 147 D HN 0.249 nan 8.370 nan 0.000 0.466 148 P HA 0.112 nan 4.420 nan 0.000 0.272 148 P C -2.306 174.604 177.300 -0.650 0.000 1.254 148 P CA -0.665 61.493 63.100 -1.570 0.000 0.795 148 P CB -0.305 30.588 31.700 -1.345 0.000 1.022 149 P HA 0.228 nan 4.420 nan 0.000 0.274 149 P C -1.181 175.818 177.300 -0.501 0.000 1.237 149 P CA 0.359 63.117 63.100 -0.569 0.000 0.793 149 P CB 0.423 31.941 31.700 -0.303 0.000 0.977 150 F N -0.206 119.678 119.950 -0.112 0.000 2.611 150 F HA 0.532 5.059 4.527 0.001 0.000 0.324 150 F C -0.103 175.633 175.800 -0.108 0.000 1.061 150 F CA -0.901 57.096 58.000 -0.005 0.000 0.954 150 F CB 1.038 40.030 39.000 -0.013 0.000 1.301 150 F HN 0.091 nan 8.300 nan 0.000 0.482 151 F N 1.242 121.333 119.950 0.235 0.000 2.460 151 F HA 0.626 5.153 4.527 0.000 0.000 0.341 151 F C -0.667 175.199 175.800 0.110 0.000 1.130 151 F CA -0.907 57.159 58.000 0.110 0.000 0.962 151 F CB 1.606 40.639 39.000 0.056 0.000 1.171 151 F HN 0.038 nan 8.300 nan 0.000 0.436 152 V N 5.217 125.228 119.914 0.163 0.000 2.427 152 V HA 0.550 4.670 4.120 0.001 0.000 0.286 152 V C -0.553 175.594 176.094 0.087 0.000 1.034 152 V CA -0.810 61.542 62.300 0.087 0.000 0.893 152 V CB 1.691 33.512 31.823 -0.004 0.000 0.982 152 V HN 0.648 nan 8.190 nan 0.000 0.452 153 K N 4.793 125.229 120.400 0.060 0.000 2.512 153 K HA 0.588 4.908 4.320 0.001 0.000 0.263 153 K C -3.097 173.509 176.600 0.011 0.000 0.966 153 K CA -2.017 54.301 56.287 0.052 0.000 0.851 153 K CB 2.294 34.841 32.500 0.078 0.000 1.395 153 K HN 0.270 nan 8.250 nan 0.000 0.440 154 P HA 0.059 nan 4.420 nan 0.000 0.275 154 P C -0.089 177.236 177.300 0.043 0.000 1.228 154 P CA -0.126 63.002 63.100 0.046 0.000 0.786 154 P CB 1.005 32.768 31.700 0.105 0.000 0.927 155 A N 3.276 126.132 122.820 0.060 0.000 1.972 155 A HA -0.110 4.210 4.320 0.001 0.000 0.219 155 A C 0.649 178.243 177.584 0.017 0.000 1.169 155 A CA 1.463 53.529 52.037 0.048 0.000 0.635 155 A CB -0.594 18.451 19.000 0.074 0.000 0.810 155 A HN 0.578 nan 8.150 nan 0.000 0.446 156 N N 0.068 118.779 118.700 0.017 0.000 2.540 156 N HA 0.377 5.117 4.740 0.001 0.000 0.275 156 N C -0.682 174.814 175.510 -0.023 0.000 1.053 156 N CA 0.584 53.626 53.050 -0.013 0.000 0.876 156 N CB 1.810 40.282 38.487 -0.025 0.000 1.284 156 N HN 0.503 nan 8.380 nan 0.000 0.518 157 T N -1.381 113.150 114.554 -0.040 0.000 2.646 157 T HA 0.807 5.158 4.350 0.001 0.000 0.297 157 T C -0.129 174.534 174.700 -0.063 0.000 1.363 157 T CA -0.803 61.257 62.100 -0.066 0.000 1.056 157 T CB 1.809 70.619 68.868 -0.096 0.000 1.779 157 T HN 0.418 nan 8.240 nan 0.000 0.459 158 G N -1.213 107.539 108.800 -0.079 0.000 2.506 158 G HA2 0.506 4.466 3.960 0.001 0.000 0.292 158 G HA3 0.506 4.466 3.960 0.001 0.000 0.292 158 G C -0.212 174.653 174.900 -0.058 0.000 1.425 158 G CA 0.229 45.299 45.100 -0.050 0.000 0.788 158 G HN 1.659 nan 8.290 nan 0.000 0.490 159 S N -0.987 114.695 115.700 -0.030 0.000 3.358 159 S HA -0.257 4.214 4.470 0.001 0.000 0.309 159 S C 1.471 176.055 174.600 -0.027 0.000 1.247 159 S CA 2.030 60.217 58.200 -0.022 0.000 0.961 159 S CB -1.583 61.604 63.200 -0.022 0.000 1.074 159 S HN 2.222 nan 8.310 nan 0.000 0.625 160 S N -2.221 113.463 115.700 -0.027 0.000 3.261 160 S HA -0.187 4.283 4.470 0.001 0.000 0.287 160 S C 0.381 174.952 174.600 -0.047 0.000 1.281 160 S CA 0.701 58.895 58.200 -0.010 0.000 1.053 160 S CB -1.395 61.820 63.200 0.025 0.000 1.251 160 S HN 0.814 nan 8.310 nan 0.000 0.659 161 V N 1.235 121.071 119.914 -0.130 0.000 2.557 161 V HA 0.356 4.477 4.120 0.001 0.000 0.301 161 V C 1.707 177.636 176.094 -0.276 0.000 1.026 161 V CA 1.591 63.730 62.300 -0.268 0.000 1.137 161 V CB 0.278 31.811 31.823 -0.483 0.000 0.917 161 V HN 1.200 nan 8.190 nan 0.000 0.484 162 G N 4.795 113.534 108.800 -0.102 0.000 2.162 162 G HA2 -0.244 3.716 3.960 0.001 0.000 0.260 162 G HA3 -0.244 3.716 3.960 0.001 0.000 0.260 162 G C 0.050 174.999 174.900 0.081 0.000 0.976 162 G CA 0.175 45.352 45.100 0.129 0.000 0.655 162 G HN 0.610 nan 8.290 nan 0.000 0.533 163 I N 1.850 122.451 120.570 0.052 0.000 2.353 163 I HA 0.552 4.722 4.170 0.001 0.000 0.293 163 I C 0.580 176.744 176.117 0.078 0.000 0.992 163 I CA -0.062 61.294 61.300 0.093 0.000 1.268 163 I CB 1.719 39.801 38.000 0.137 0.000 1.387 163 I HN 0.345 nan 8.210 nan 0.000 0.478 164 S N 5.809 121.533 115.700 0.039 0.000 2.564 164 S HA 0.583 5.053 4.470 0.001 0.000 0.274 164 S C -0.796 173.633 174.600 -0.285 0.000 1.124 164 S CA -1.083 57.072 58.200 -0.075 0.000 0.869 164 S CB 2.233 65.399 63.200 -0.056 0.000 1.105 164 S HN 0.658 nan 8.310 nan 0.000 0.472 165 R N 1.425 121.641 120.500 -0.474 0.000 2.265 165 R HA 0.655 4.996 4.340 0.001 0.000 0.319 165 R C -1.392 174.683 176.300 -0.375 0.000 1.006 165 R CA -0.507 55.130 56.100 -0.771 0.000 0.880 165 R CB 0.854 30.616 30.300 -0.896 0.000 1.077 165 R HN 0.632 nan 8.270 nan 0.000 0.454 166 V N 4.642 124.388 119.914 -0.280 0.000 2.435 166 V HA 0.182 4.303 4.120 0.001 0.000 0.290 166 V C 0.523 176.455 176.094 -0.269 0.000 1.030 166 V CA -0.502 61.698 62.300 -0.167 0.000 0.881 166 V CB 1.722 33.558 31.823 0.020 0.000 0.983 166 V HN 0.875 nan 8.190 nan 0.000 0.445 167 E N 3.645 123.704 120.200 -0.234 0.000 2.415 167 E HA 0.114 4.464 4.350 0.001 0.000 0.197 167 E C 0.482 176.903 176.600 -0.298 0.000 1.007 167 E CA 0.253 56.497 56.400 -0.261 0.000 0.890 167 E CB 0.569 30.163 29.700 -0.178 0.000 0.891 167 E HN 0.770 nan 8.360 nan 0.000 0.496 168 R N -1.450 118.899 120.500 -0.253 0.000 2.629 168 R HA 0.276 4.616 4.340 0.001 0.000 0.266 168 R C 0.078 176.316 176.300 -0.103 0.000 1.051 168 R CA -0.652 55.313 56.100 -0.225 0.000 0.895 168 R CB -0.099 30.145 30.300 -0.092 0.000 1.246 168 R HN -0.315 nan 8.270 nan 0.000 0.459 169 F N 1.706 121.678 119.950 0.036 0.000 2.147 169 F HA -0.291 4.237 4.527 0.001 0.000 0.301 169 F C 2.687 178.523 175.800 0.059 0.000 1.084 169 F CA 2.531 60.597 58.000 0.109 0.000 1.268 169 F CB -0.386 38.662 39.000 0.080 0.000 1.009 169 F HN 0.686 nan 8.300 nan 0.000 0.486 170 Q N -0.442 119.479 119.800 0.202 0.000 2.234 170 Q HA -0.191 4.149 4.340 0.001 0.000 0.206 170 Q C 0.963 177.011 176.000 0.080 0.000 0.980 170 Q CA 1.843 57.715 55.803 0.115 0.000 0.869 170 Q CB -0.471 28.308 28.738 0.070 0.000 0.912 170 Q HN 0.357 nan 8.270 nan 0.000 0.436 171 D N 0.750 121.189 120.400 0.066 0.000 2.354 171 D HA 0.025 4.665 4.640 0.001 0.000 0.209 171 D C 1.843 178.176 176.300 0.055 0.000 1.015 171 D CA 0.065 54.088 54.000 0.037 0.000 0.867 171 D CB 0.153 40.952 40.800 -0.002 0.000 0.933 171 D HN 0.254 nan 8.370 nan 0.000 0.520 172 L N 1.272 122.559 121.223 0.106 0.000 2.043 172 L HA -0.239 4.101 4.340 0.001 0.000 0.212 172 L C 2.349 179.253 176.870 0.056 0.000 1.075 172 L CA 1.679 56.582 54.840 0.105 0.000 0.752 172 L CB -0.028 42.137 42.059 0.176 0.000 0.891 172 L HN -0.061 nan 8.230 nan 0.000 0.432 173 E N -0.344 119.895 120.200 0.065 0.000 2.058 173 E HA -0.283 4.067 4.350 0.001 0.000 0.194 173 E C 2.056 178.683 176.600 0.046 0.000 0.997 173 E CA 1.378 57.812 56.400 0.057 0.000 0.801 173 E CB -0.174 29.559 29.700 0.055 0.000 0.746 173 E HN 0.648 nan 8.360 nan 0.000 0.450 174 A N 0.864 123.704 122.820 0.034 0.000 1.969 174 A HA -0.041 4.279 4.320 0.001 0.000 0.218 174 A C 2.336 179.925 177.584 0.008 0.000 1.169 174 A CA 1.601 53.652 52.037 0.023 0.000 0.635 174 A CB -0.640 18.369 19.000 0.016 0.000 0.810 174 A HN 0.420 nan 8.150 nan 0.000 0.445 175 A N -0.088 122.730 122.820 -0.003 0.000 1.877 175 A HA -0.037 4.283 4.320 0.001 0.000 0.216 175 A C 2.160 179.698 177.584 -0.078 0.000 1.186 175 A CA 1.454 53.475 52.037 -0.027 0.000 0.620 175 A CB -0.596 18.392 19.000 -0.020 0.000 0.822 175 A HN 0.461 nan 8.150 nan 0.000 0.443 176 L N -0.789 120.374 121.223 -0.101 0.000 2.046 176 L HA -0.206 4.134 4.340 0.001 0.000 0.208 176 L C 3.116 179.853 176.870 -0.223 0.000 1.077 176 L CA 1.068 55.742 54.840 -0.277 0.000 0.747 176 L CB -0.584 41.400 42.059 -0.127 0.000 0.896 176 L HN 0.455 nan 8.230 nan 0.000 0.432 177 A N -0.035 122.806 122.820 0.035 0.000 1.940 177 A HA -0.239 4.081 4.320 0.001 0.000 0.219 177 A C 2.190 179.806 177.584 0.052 0.000 1.176 177 A CA 1.792 53.906 52.037 0.129 0.000 0.631 177 A CB -0.619 18.435 19.000 0.090 0.000 0.814 177 A HN 0.352 nan 8.150 nan 0.000 0.446 178 L N -0.426 120.797 121.223 -0.000 0.000 2.056 178 L HA 0.046 4.386 4.340 0.001 0.000 0.207 178 L C 2.602 179.485 176.870 0.021 0.000 1.078 178 L CA 2.167 57.013 54.840 0.010 0.000 0.749 178 L CB -0.911 41.170 42.059 0.037 0.000 0.901 178 L HN 0.305 nan 8.230 nan 0.000 0.433 179 A N -0.776 122.016 122.820 -0.046 0.000 1.902 179 A HA -0.185 4.136 4.320 0.001 0.000 0.217 179 A C 1.965 179.541 177.584 -0.013 0.000 1.181 179 A CA 1.707 53.718 52.037 -0.043 0.000 0.623 179 A CB -1.100 17.750 19.000 -0.250 0.000 0.818 179 A HN 0.463 nan 8.150 nan 0.000 0.443 180 F N 0.280 120.246 119.950 0.027 0.000 2.641 180 F HA -0.013 4.514 4.527 0.001 0.000 0.298 180 F C 2.241 177.992 175.800 -0.083 0.000 1.146 180 F CA 0.564 58.559 58.000 -0.008 0.000 1.464 180 F CB -0.414 38.579 39.000 -0.013 0.000 1.101 180 F HN 0.200 nan 8.300 nan 0.000 0.585 181 R N -1.566 118.899 120.500 -0.058 0.000 2.235 181 R HA -0.094 4.246 4.340 0.001 0.000 0.213 181 R C 0.865 176.892 176.300 -0.455 0.000 1.059 181 R CA 1.035 56.931 56.100 -0.341 0.000 0.997 181 R CB -0.195 29.710 30.300 -0.659 0.000 0.884 181 R HN 0.316 nan 8.270 nan 0.000 0.462 182 Y N -1.232 119.113 120.300 0.076 0.000 2.430 182 Y HA 0.295 4.845 4.550 0.001 0.000 0.248 182 Y C 0.173 176.106 175.900 0.055 0.000 1.108 182 Y CA -0.600 57.530 58.100 0.049 0.000 1.264 182 Y CB 0.844 39.320 38.460 0.028 0.000 1.172 182 Y HN -0.149 nan 8.280 nan 0.000 0.520 183 D N -0.608 119.923 120.400 0.218 0.000 2.717 183 D HA 0.124 4.764 4.640 0.001 0.000 0.223 183 D C 0.180 176.635 176.300 0.259 0.000 1.240 183 D CA -0.112 54.001 54.000 0.188 0.000 0.801 183 D CB 1.863 42.762 40.800 0.166 0.000 1.556 183 D HN -0.096 nan 8.370 nan 0.000 0.462 184 E N 0.952 121.253 120.200 0.168 0.000 2.427 184 E HA -0.032 4.319 4.350 0.001 0.000 0.196 184 E C 0.250 176.977 176.600 0.211 0.000 1.028 184 E CA 0.731 57.200 56.400 0.115 0.000 0.864 184 E CB 0.500 30.217 29.700 0.029 0.000 0.813 184 E HN 0.255 nan 8.360 nan 0.000 0.514 185 K N -0.010 120.560 120.400 0.283 0.000 2.371 185 K HA 0.578 4.898 4.320 0.001 0.000 0.251 185 K C -1.425 175.338 176.600 0.271 0.000 0.934 185 K CA -0.493 55.981 56.287 0.313 0.000 0.798 185 K CB 2.051 34.656 32.500 0.175 0.000 1.204 185 K HN -0.074 nan 8.250 nan 0.000 0.427 186 A N 1.970 124.929 122.820 0.231 0.000 2.485 186 A HA 0.745 5.066 4.320 0.001 0.000 0.292 186 A C -1.186 176.447 177.584 0.082 0.000 1.147 186 A CA -0.684 51.366 52.037 0.022 0.000 0.750 186 A CB 1.496 20.290 19.000 -0.342 0.000 1.331 186 A HN 0.559 nan 8.150 nan 0.000 0.419 187 V N -1.780 118.181 119.914 0.078 0.000 2.823 187 V HA 0.853 4.973 4.120 0.001 0.000 0.312 187 V C -0.877 175.298 176.094 0.135 0.000 1.072 187 V CA -0.746 61.660 62.300 0.177 0.000 0.937 187 V CB 1.391 33.354 31.823 0.233 0.000 1.013 187 V HN 0.741 nan 8.190 nan 0.000 0.430 188 V N 3.570 123.582 119.914 0.164 0.000 2.350 188 V HA 0.509 4.629 4.120 0.001 0.000 0.285 188 V C -0.023 176.270 176.094 0.331 0.000 1.014 188 V CA -0.241 62.116 62.300 0.095 0.000 0.831 188 V CB 0.951 32.663 31.823 -0.185 0.000 1.000 188 V HN 1.047 nan 8.190 nan 0.000 0.433 189 E N 2.896 123.324 120.200 0.379 0.000 2.202 189 E HA 0.401 4.752 4.350 0.001 0.000 0.272 189 E C -0.461 176.443 176.600 0.506 0.000 0.951 189 E CA -0.951 55.702 56.400 0.421 0.000 0.813 189 E CB 2.228 32.100 29.700 0.287 0.000 1.151 189 E HN 0.508 nan 8.360 nan 0.000 0.398 190 K N 1.482 122.037 120.400 0.257 0.000 2.379 190 K HA 0.233 4.553 4.320 0.001 0.000 0.284 190 K C -0.769 175.915 176.600 0.140 0.000 1.044 190 K CA -0.243 56.180 56.287 0.226 0.000 0.974 190 K CB 0.544 32.892 32.500 -0.254 0.000 0.962 190 K HN 0.535 nan 8.250 nan 0.000 0.474 191 A N 5.759 128.699 122.820 0.199 0.000 2.409 191 A HA 0.262 4.582 4.320 0.001 0.000 0.267 191 A C -0.279 177.286 177.584 -0.032 0.000 1.127 191 A CA -0.509 51.636 52.037 0.181 0.000 0.795 191 A CB 0.068 19.204 19.000 0.226 0.000 1.061 191 A HN 0.787 nan 8.150 nan 0.000 0.502 192 L N 2.548 123.660 121.223 -0.185 0.000 2.276 192 L HA 0.552 4.892 4.340 0.001 0.000 0.286 192 L C 0.498 177.271 176.870 -0.162 0.000 1.061 192 L CA -0.090 54.607 54.840 -0.239 0.000 0.807 192 L CB 1.358 43.173 42.059 -0.407 0.000 1.177 192 L HN 0.692 nan 8.230 nan 0.000 0.429 193 S N 3.993 119.635 115.700 -0.097 0.000 2.605 193 S HA 0.543 5.014 4.470 0.001 0.000 0.279 193 S C -2.375 172.201 174.600 -0.041 0.000 1.166 193 S CA -0.978 57.185 58.200 -0.062 0.000 0.975 193 S CB 1.327 64.500 63.200 -0.046 0.000 1.111 193 S HN 0.571 nan 8.310 nan 0.000 0.465 194 P HA 0.608 nan 4.420 nan 0.000 0.274 194 P C -1.114 176.171 177.300 -0.025 0.000 1.246 194 P CA -0.542 62.546 63.100 -0.021 0.000 0.795 194 P CB 0.974 32.672 31.700 -0.003 0.000 1.006 195 V N 0.385 120.286 119.914 -0.022 0.000 3.000 195 V HA 0.440 4.561 4.120 0.001 0.000 0.300 195 V C -1.100 175.023 176.094 0.047 0.000 1.251 195 V CA -0.856 61.437 62.300 -0.012 0.000 0.972 195 V CB 2.463 34.198 31.823 -0.146 0.000 1.065 195 V HN 0.631 nan 8.190 nan 0.000 0.431 196 R N 3.448 124.010 120.500 0.104 0.000 2.664 196 R HA 0.685 5.025 4.340 0.001 0.000 0.286 196 R C -1.048 175.376 176.300 0.206 0.000 0.967 196 R CA -0.720 55.456 56.100 0.127 0.000 0.933 196 R CB 2.020 32.376 30.300 0.094 0.000 1.146 196 R HN 0.719 nan 8.270 nan 0.000 0.468 197 E N 3.101 123.419 120.200 0.196 0.000 2.158 197 E HA 0.351 4.701 4.350 0.001 0.000 0.271 197 E C -0.768 175.909 176.600 0.128 0.000 0.911 197 E CA -0.499 56.037 56.400 0.227 0.000 0.767 197 E CB 1.902 31.748 29.700 0.243 0.000 1.120 197 E HN 0.233 nan 8.360 nan 0.000 0.405 198 L N 1.965 123.265 121.223 0.128 0.000 2.333 198 L HA 0.548 4.888 4.340 0.001 0.000 0.269 198 L C -0.080 176.854 176.870 0.107 0.000 1.010 198 L CA -0.807 54.079 54.840 0.077 0.000 0.818 198 L CB 1.686 43.764 42.059 0.031 0.000 1.306 198 L HN 0.457 nan 8.230 nan 0.000 0.430 199 E N 1.170 121.405 120.200 0.058 0.000 2.314 199 E HA 0.633 4.984 4.350 0.001 0.000 0.272 199 E C -1.620 174.997 176.600 0.029 0.000 0.884 199 E CA -0.665 55.782 56.400 0.078 0.000 0.753 199 E CB 3.606 33.331 29.700 0.041 0.000 1.213 199 E HN 0.232 nan 8.360 nan 0.000 0.432 200 V N 1.083 121.037 119.914 0.068 0.000 2.888 200 V HA 0.751 4.871 4.120 0.001 0.000 0.309 200 V C -0.617 175.480 176.094 0.005 0.000 1.114 200 V CA -0.331 61.952 62.300 -0.028 0.000 0.940 200 V CB 2.022 33.827 31.823 -0.031 0.000 1.021 200 V HN 0.751 nan 8.190 nan 0.000 0.426 201 G N 4.126 112.818 108.800 -0.180 0.000 2.389 201 G HA2 0.615 4.576 3.960 0.001 0.000 0.317 201 G HA3 0.615 4.576 3.960 0.001 0.000 0.317 201 G C -1.193 173.750 174.900 0.072 0.000 1.137 201 G CA -0.444 44.634 45.100 -0.037 0.000 0.870 201 G HN 0.893 nan 8.290 nan 0.000 0.496 202 V N 1.906 122.078 119.914 0.430 0.000 2.735 202 V HA 0.632 4.752 4.120 0.001 0.000 0.310 202 V C -0.691 175.594 176.094 0.318 0.000 1.061 202 V CA -0.783 61.629 62.300 0.186 0.000 0.913 202 V CB 1.715 33.317 31.823 -0.369 0.000 1.005 202 V HN 0.705 nan 8.190 nan 0.000 0.428 203 L N 3.372 124.685 121.223 0.150 0.000 2.436 203 L HA 1.043 5.384 4.340 0.001 0.000 0.268 203 L C -0.101 176.767 176.870 -0.002 0.000 0.974 203 L CA 0.847 55.705 54.840 0.030 0.000 0.826 203 L CB 1.772 43.645 42.059 -0.310 0.000 1.291 203 L HN 1.081 nan 8.230 nan 0.000 0.406 204 G N 2.661 111.507 108.800 0.077 0.000 2.347 204 G HA2 -0.011 3.949 3.960 0.001 0.000 0.477 204 G HA3 -0.011 3.949 3.960 0.001 0.000 0.477 204 G C -1.770 173.261 174.900 0.218 0.000 1.349 204 G CA -1.016 44.151 45.100 0.111 0.000 1.000 204 G HN 0.637 nan 8.290 nan 0.000 0.605 205 N N 0.824 119.621 118.700 0.161 0.000 2.485 205 N HA 0.494 5.234 4.740 0.001 0.000 0.243 205 N C 1.475 177.033 175.510 0.081 0.000 0.987 205 N CA 0.527 53.642 53.050 0.108 0.000 0.940 205 N CB 1.483 39.996 38.487 0.043 0.000 1.122 205 N HN 1.253 nan 8.380 nan 0.000 0.509 206 V N 0.889 120.819 119.914 0.027 0.000 0.489 206 V HA -0.365 3.755 4.120 0.001 0.000 0.092 206 V C 0.112 176.068 176.094 -0.230 0.000 2.367 206 V CA 1.627 63.783 62.300 -0.239 0.000 3.630 206 V CB -1.360 30.122 31.823 -0.568 0.000 0.914 206 V HN 0.542 nan 8.190 nan 0.000 0.957 207 F N 2.245 122.302 119.950 0.179 0.000 2.303 207 F HA 0.711 5.238 4.527 0.000 0.000 0.368 207 F C 0.923 176.778 175.800 0.092 0.000 1.105 207 F CA 0.266 58.341 58.000 0.124 0.000 1.153 207 F CB 0.811 39.853 39.000 0.070 0.000 1.362 207 F HN 0.260 nan 8.300 nan 0.000 0.511 208 G N 2.055 110.932 108.800 0.128 0.000 2.557 208 G HA2 0.625 4.586 3.960 0.001 0.000 0.302 208 G HA3 0.625 4.586 3.960 0.001 0.000 0.302 208 G C -1.090 173.805 174.900 -0.008 0.000 1.311 208 G CA -0.707 44.364 45.100 -0.047 0.000 1.030 208 G HN 0.549 nan 8.290 nan 0.000 0.509 209 E N -1.283 118.915 120.200 -0.003 0.000 2.248 209 E HA 0.649 4.999 4.350 0.001 0.000 0.267 209 E C -0.618 176.033 176.600 0.086 0.000 0.877 209 E CA -1.057 55.375 56.400 0.053 0.000 0.759 209 E CB 2.036 31.790 29.700 0.089 0.000 1.182 209 E HN 0.574 nan 8.360 nan 0.000 0.418 210 A N 2.240 125.074 122.820 0.024 0.000 2.303 210 A HA 0.547 4.867 4.320 0.001 0.000 0.317 210 A C 0.239 177.729 177.584 -0.157 0.000 1.149 210 A CA -0.376 51.630 52.037 -0.052 0.000 0.822 210 A CB 1.011 19.967 19.000 -0.072 0.000 1.131 210 A HN 0.791 nan 8.150 nan 0.000 0.493 211 S N 1.752 117.177 115.700 -0.460 0.000 2.713 211 S HA 0.713 5.183 4.470 0.001 0.000 0.277 211 S C -2.689 171.688 174.600 -0.373 0.000 1.168 211 S CA -1.238 56.564 58.200 -0.663 0.000 0.994 211 S CB 0.337 62.699 63.200 -1.395 0.000 1.054 211 S HN 0.448 nan 8.310 nan 0.000 0.555 212 P HA 0.302 nan 4.420 nan 0.000 0.273 212 P C -1.022 176.152 177.300 -0.209 0.000 1.250 212 P CA -0.572 62.403 63.100 -0.207 0.000 0.793 212 P CB 0.318 31.917 31.700 -0.169 0.000 1.011 213 V N 0.531 120.349 119.914 -0.159 0.000 2.539 213 V HA 0.644 4.764 4.120 0.001 0.000 0.292 213 V C 0.860 176.885 176.094 -0.115 0.000 1.045 213 V CA 0.011 62.227 62.300 -0.141 0.000 0.945 213 V CB 1.024 32.763 31.823 -0.141 0.000 0.993 213 V HN 0.733 nan 8.190 nan 0.000 0.464 214 G N 2.646 111.388 108.800 -0.096 0.000 2.568 214 G HA2 0.708 4.669 3.960 0.001 0.000 0.313 214 G HA3 0.708 4.669 3.960 0.001 0.000 0.313 214 G C -1.281 173.588 174.900 -0.052 0.000 1.227 214 G CA -0.466 44.587 45.100 -0.079 0.000 0.979 214 G HN 0.700 nan 8.290 nan 0.000 0.486 215 E N -0.194 119.976 120.200 -0.049 0.000 2.256 215 E HA 0.473 4.823 4.350 0.001 0.000 0.268 215 E C -1.254 175.313 176.600 -0.055 0.000 0.877 215 E CA -0.679 55.703 56.400 -0.031 0.000 0.757 215 E CB 2.322 32.008 29.700 -0.023 0.000 1.183 215 E HN 0.224 nan 8.360 nan 0.000 0.418 216 V N 5.529 125.414 119.914 -0.049 0.000 2.385 216 V HA 0.364 4.484 4.120 0.001 0.000 0.269 216 V C 0.087 176.076 176.094 -0.174 0.000 1.043 216 V CA -0.214 62.005 62.300 -0.135 0.000 0.906 216 V CB 0.264 32.028 31.823 -0.098 0.000 0.995 216 V HN 0.633 nan 8.190 nan 0.000 0.467 217 R N 3.857 124.195 120.500 -0.270 0.000 2.803 217 R HA 0.753 5.094 4.340 0.001 0.000 0.276 217 R C -1.811 174.264 176.300 -0.374 0.000 0.978 217 R CA -0.919 55.068 56.100 -0.188 0.000 0.939 217 R CB 1.567 31.829 30.300 -0.063 0.000 1.179 217 R HN 0.431 nan 8.270 nan 0.000 0.472 218 Y N 0.094 120.409 120.300 0.026 0.000 2.429 218 Y HA 0.341 4.891 4.550 0.000 0.000 0.342 218 Y C 0.126 176.046 175.900 0.033 0.000 1.004 218 Y CA -0.979 57.141 58.100 0.032 0.000 1.075 218 Y CB 2.060 40.540 38.460 0.034 0.000 1.214 218 Y HN 0.548 nan 8.280 nan 0.000 0.455 219 E N 1.025 121.335 120.200 0.184 0.000 2.267 219 E HA 0.681 5.031 4.350 0.001 0.000 0.258 219 E C -0.663 176.021 176.600 0.141 0.000 1.074 219 E CA -1.219 55.257 56.400 0.126 0.000 0.915 219 E CB 1.038 30.791 29.700 0.090 0.000 1.186 219 E HN 0.692 nan 8.360 nan 0.000 0.439 220 A N 2.319 125.203 122.820 0.106 0.000 2.477 220 A HA 0.216 4.536 4.320 0.001 0.000 0.246 220 A C -1.920 175.760 177.584 0.159 0.000 1.078 220 A CA -0.961 51.133 52.037 0.095 0.000 0.770 220 A CB -0.515 18.518 19.000 0.055 0.000 1.011 220 A HN 0.334 nan 8.150 nan 0.000 0.494 221 P HA 0.434 nan 4.420 nan 0.000 0.272 221 P C -0.813 176.532 177.300 0.075 0.000 1.223 221 P CA 0.223 63.360 63.100 0.062 0.000 0.784 221 P CB 0.547 32.234 31.700 -0.021 0.000 0.923 222 F N -0.751 119.173 119.950 -0.044 0.000 2.849 222 F HA 0.665 5.193 4.527 0.000 0.000 0.341 222 F C -0.638 175.177 175.800 0.024 0.000 1.185 222 F CA -1.432 56.490 58.000 -0.130 0.000 1.007 222 F CB 0.603 39.576 39.000 -0.044 0.000 1.454 222 F HN 0.218 nan 8.300 nan 0.000 0.518 228 K N -0.305 119.933 120.400 -0.270 0.000 5.768 228 K HA 0.262 4.582 4.320 0.001 0.000 0.816 228 K C -0.009 176.493 176.600 -0.164 0.000 2.295 228 K CA 1.019 57.102 56.287 -0.339 0.000 1.687 228 K CB -2.949 29.384 32.500 -0.278 0.000 2.715 228 K HN 2.241 nan 8.250 nan 0.000 0.182 229 Y N 0.136 120.428 120.300 -0.015 0.000 2.666 229 Y HA 0.456 5.006 4.550 0.000 0.000 0.337 229 Y C 1.232 177.118 175.900 -0.023 0.000 1.188 229 Y CA -0.087 58.119 58.100 0.177 0.000 1.952 229 Y CB -1.080 37.464 38.460 0.141 0.000 1.950 229 Y HN 1.118 nan 8.280 nan 0.000 0.411 230 T N 4.819 119.347 114.554 -0.042 0.000 2.817 230 T HA 0.194 4.545 4.350 0.001 0.000 0.295 230 T C -1.986 172.496 174.700 -0.362 0.000 0.958 230 T CA -2.067 59.819 62.100 -0.356 0.000 1.157 230 T CB 0.022 68.336 68.868 -0.924 0.000 0.898 230 T HN 0.404 nan 8.240 nan 0.000 0.536 231 P HA 0.190 nan 4.420 nan 0.000 0.269 231 P C 0.587 177.886 177.300 -0.001 0.000 1.215 231 P CA -0.251 62.818 63.100 -0.052 0.000 0.780 231 P CB 0.429 32.127 31.700 -0.002 0.000 0.898 232 G N 3.006 111.851 108.800 0.075 0.000 2.353 232 G HA2 0.045 4.005 3.960 0.001 0.000 0.239 232 G HA3 0.045 4.005 3.960 0.001 0.000 0.239 232 G C 0.185 175.236 174.900 0.251 0.000 1.295 232 G CA -0.464 44.749 45.100 0.190 0.000 0.884 232 G HN 0.426 nan 8.290 nan 0.000 0.537 233 R N 0.843 121.506 120.500 0.270 0.000 2.641 233 R HA 0.462 4.802 4.340 0.001 0.000 0.269 233 R C 0.535 176.927 176.300 0.152 0.000 1.074 233 R CA -0.034 56.193 56.100 0.212 0.000 1.133 233 R CB 0.856 31.263 30.300 0.178 0.000 1.029 233 R HN 0.598 nan 8.270 nan 0.000 0.488 234 A N 1.498 124.357 122.820 0.065 0.000 2.306 234 A HA 0.338 4.658 4.320 0.001 0.000 0.330 234 A C -0.634 176.860 177.584 -0.151 0.000 1.146 234 A CA -0.474 51.455 52.037 -0.181 0.000 0.827 234 A CB 1.050 19.866 19.000 -0.307 0.000 1.178 234 A HN 0.768 nan 8.150 nan 0.000 0.490 235 E N 1.712 121.783 120.200 -0.215 0.000 2.256 235 E HA 0.471 4.821 4.350 0.001 0.000 0.268 235 E C -1.696 174.812 176.600 -0.152 0.000 0.877 235 E CA -0.507 55.811 56.400 -0.136 0.000 0.757 235 E CB 1.262 30.905 29.700 -0.094 0.000 1.183 235 E HN 0.626 nan 8.360 nan 0.000 0.418 236 L N 5.626 126.781 121.223 -0.113 0.000 2.315 236 L HA 0.266 4.607 4.340 0.001 0.000 0.278 236 L C -0.135 176.684 176.870 -0.085 0.000 1.088 236 L CA -0.711 54.069 54.840 -0.101 0.000 0.899 236 L CB 0.272 42.280 42.059 -0.084 0.000 1.277 236 L HN 0.414 nan 8.230 nan 0.000 0.431 237 L N 5.681 126.855 121.223 -0.082 0.000 2.369 237 L HA 0.400 4.740 4.340 0.001 0.000 0.279 237 L C -0.312 176.516 176.870 -0.069 0.000 1.108 237 L CA 0.506 55.304 54.840 -0.069 0.000 0.852 237 L CB 0.241 42.264 42.059 -0.060 0.000 1.169 237 L HN 0.322 nan 8.230 nan 0.000 0.452 238 I N 7.208 127.736 120.570 -0.070 0.000 2.447 238 I HA 0.430 4.600 4.170 0.001 0.000 0.287 238 I C -1.930 174.146 176.117 -0.069 0.000 1.023 238 I CA -1.527 59.726 61.300 -0.078 0.000 1.083 238 I CB 1.663 39.609 38.000 -0.090 0.000 1.245 238 I HN 0.571 nan 8.210 nan 0.000 0.434 239 P HA 0.437 nan 4.420 nan 0.000 0.279 239 P C -0.628 176.633 177.300 -0.065 0.000 1.252 239 P CA -0.480 62.575 63.100 -0.075 0.000 0.811 239 P CB 1.283 32.939 31.700 -0.073 0.000 1.035 240 A N 3.130 125.910 122.820 -0.068 0.000 2.477 240 A HA 0.319 4.639 4.320 0.001 0.000 0.246 240 A C -1.798 175.757 177.584 -0.049 0.000 1.078 240 A CA -1.081 50.923 52.037 -0.055 0.000 0.770 240 A CB -0.939 18.027 19.000 -0.056 0.000 1.011 240 A HN 0.442 nan 8.150 nan 0.000 0.494 241 P HA 0.292 nan 4.420 nan 0.000 0.268 241 P C -1.014 176.267 177.300 -0.031 0.000 1.485 241 P CA 0.572 63.653 63.100 -0.032 0.000 1.102 241 P CB -0.138 31.548 31.700 -0.025 0.000 1.501 242 L N 2.010 123.209 121.223 -0.039 0.000 2.350 242 L HA 0.475 4.815 4.340 0.001 0.000 0.260 242 L C 0.193 177.039 176.870 -0.041 0.000 1.015 242 L CA -1.227 53.588 54.840 -0.041 0.000 0.821 242 L CB 1.628 43.653 42.059 -0.057 0.000 1.370 242 L HN 0.046 nan 8.230 nan 0.000 0.416 243 D N 1.187 121.564 120.400 -0.038 0.000 2.372 243 D HA 0.140 4.780 4.640 0.001 0.000 0.243 243 D C -1.648 174.626 176.300 -0.044 0.000 1.121 243 D CA -1.488 52.491 54.000 -0.035 0.000 0.898 243 D CB 0.955 41.737 40.800 -0.029 0.000 1.202 243 D HN 0.197 nan 8.370 nan 0.000 0.428 244 P HA -0.193 nan 4.420 nan 0.000 0.217 244 P C 1.467 178.737 177.300 -0.051 0.000 1.162 244 P CA 1.867 64.940 63.100 -0.045 0.000 0.901 244 P CB 0.141 31.820 31.700 -0.036 0.000 0.793 245 G N -1.482 107.291 108.800 -0.045 0.000 2.469 245 G HA2 -0.281 3.679 3.960 0.001 0.000 0.219 245 G HA3 -0.281 3.679 3.960 0.001 0.000 0.219 245 G C 1.472 176.333 174.900 -0.065 0.000 1.150 245 G CA 1.746 46.817 45.100 -0.048 0.000 0.763 245 G HN 0.213 nan 8.290 nan 0.000 0.561 246 T N 0.227 114.740 114.554 -0.068 0.000 2.708 246 T HA -0.163 4.188 4.350 0.001 0.000 0.266 246 T C 2.268 176.893 174.700 -0.124 0.000 1.037 246 T CA 1.597 63.643 62.100 -0.090 0.000 1.146 246 T CB -0.252 68.572 68.868 -0.074 0.000 0.865 246 T HN 0.458 nan 8.240 nan 0.000 0.435 247 Q N 0.814 120.549 119.800 -0.109 0.000 2.061 247 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 247 Q C 2.166 178.086 176.000 -0.133 0.000 0.984 247 Q CA 1.630 57.358 55.803 -0.126 0.000 0.846 247 Q CB -0.078 28.600 28.738 -0.099 0.000 0.902 247 Q HN 0.625 nan 8.270 nan 0.000 0.421 248 E N -0.514 119.625 120.200 -0.102 0.000 2.051 248 E HA -0.159 4.191 4.350 0.001 0.000 0.192 248 E C 2.036 178.576 176.600 -0.101 0.000 0.991 248 E CA 1.702 58.049 56.400 -0.087 0.000 0.799 248 E CB -0.061 29.602 29.700 -0.062 0.000 0.748 248 E HN 0.383 nan 8.360 nan 0.000 0.449 249 T N 0.956 115.443 114.554 -0.112 0.000 2.746 249 T HA -0.129 4.222 4.350 0.001 0.000 0.267 249 T C 2.121 176.703 174.700 -0.197 0.000 1.039 249 T CA 1.024 63.052 62.100 -0.120 0.000 1.142 249 T CB -0.217 68.585 68.868 -0.111 0.000 0.866 249 T HN -0.025 nan 8.240 nan 0.000 0.444 250 V N 1.620 121.345 119.914 -0.314 0.000 2.332 250 V HA -0.243 3.878 4.120 0.001 0.000 0.248 250 V C 2.605 178.472 176.094 -0.378 0.000 1.055 250 V CA 1.730 63.665 62.300 -0.608 0.000 1.038 250 V CB -0.678 30.769 31.823 -0.628 0.000 0.651 250 V HN 0.540 nan 8.190 nan 0.000 0.450 251 Q N -0.407 119.270 119.800 -0.204 0.000 2.079 251 Q HA -0.207 4.133 4.340 0.001 0.000 0.200 251 Q C 2.285 178.265 176.000 -0.033 0.000 0.974 251 Q CA 1.704 57.447 55.803 -0.099 0.000 0.840 251 Q CB -0.185 28.498 28.738 -0.092 0.000 0.898 251 Q HN 0.715 nan 8.270 nan 0.000 0.430 252 E N 0.759 120.937 120.200 -0.037 0.000 2.077 252 E HA -0.161 4.190 4.350 0.001 0.000 0.193 252 E C 2.092 178.723 176.600 0.051 0.000 0.989 252 E CA 0.829 57.233 56.400 0.007 0.000 0.800 252 E CB -0.112 29.585 29.700 -0.005 0.000 0.746 252 E HN 0.311 nan 8.360 nan 0.000 0.452 253 L N 0.745 122.005 121.223 0.062 0.000 2.046 253 L HA -0.174 4.166 4.340 0.001 0.000 0.208 253 L C 2.639 179.664 176.870 0.259 0.000 1.077 253 L CA 0.957 55.897 54.840 0.167 0.000 0.747 253 L CB -0.515 41.694 42.059 0.250 0.000 0.896 253 L HN 0.152 nan 8.230 nan 0.000 0.432 254 A N 0.243 123.254 122.820 0.319 0.000 1.877 254 A HA -0.167 4.153 4.320 0.001 0.000 0.216 254 A C 2.233 179.927 177.584 0.184 0.000 1.186 254 A CA 1.415 53.637 52.037 0.308 0.000 0.620 254 A CB -0.705 18.468 19.000 0.288 0.000 0.822 254 A HN 0.357 nan 8.150 nan 0.000 0.443 255 L N -0.735 120.557 121.223 0.116 0.000 2.083 255 L HA -0.182 4.159 4.340 0.001 0.000 0.209 255 L C 2.633 179.590 176.870 0.145 0.000 1.083 255 L CA 1.864 56.763 54.840 0.097 0.000 0.752 255 L CB -0.421 41.674 42.059 0.060 0.000 0.899 255 L HN 0.505 nan 8.230 nan 0.000 0.433 256 K N 0.549 121.023 120.400 0.123 0.000 2.057 256 K HA -0.150 4.171 4.320 0.001 0.000 0.206 256 K C 2.175 178.833 176.600 0.096 0.000 1.050 256 K CA 1.257 57.606 56.287 0.104 0.000 0.935 256 K CB -0.054 32.498 32.500 0.085 0.000 0.715 256 K HN 0.225 nan 8.250 nan 0.000 0.439 257 A N 0.304 123.187 122.820 0.105 0.000 1.902 257 A HA -0.185 4.135 4.320 0.001 0.000 0.217 257 A C 2.057 179.687 177.584 0.076 0.000 1.181 257 A CA 1.336 53.411 52.037 0.064 0.000 0.623 257 A CB -0.951 18.070 19.000 0.035 0.000 0.818 257 A HN 0.555 nan 8.150 nan 0.000 0.443 258 Y N 0.520 120.815 120.300 -0.007 0.000 2.165 258 Y HA -0.257 4.293 4.550 0.001 0.000 0.286 258 Y C 2.477 178.336 175.900 -0.069 0.000 1.155 258 Y CA 2.479 60.566 58.100 -0.021 0.000 1.164 258 Y CB -0.106 38.364 38.460 0.016 0.000 0.978 258 Y HN 0.338 nan 8.280 nan 0.000 0.513 259 K N -0.678 119.788 120.400 0.110 0.000 2.025 259 K HA -0.132 4.188 4.320 0.001 0.000 0.207 259 K C 1.926 178.467 176.600 -0.098 0.000 1.049 259 K CA 1.617 57.868 56.287 -0.061 0.000 0.933 259 K CB -0.376 32.111 32.500 -0.022 0.000 0.714 259 K HN 0.217 nan 8.250 nan 0.000 0.438 260 V N 1.911 121.803 119.914 -0.036 0.000 2.332 260 V HA -0.237 3.883 4.120 0.001 0.000 0.248 260 V C 2.144 178.197 176.094 -0.069 0.000 1.055 260 V CA 1.582 63.859 62.300 -0.037 0.000 1.038 260 V CB -0.330 31.489 31.823 -0.007 0.000 0.651 260 V HN 0.336 nan 8.190 nan 0.000 0.450 261 L N 0.237 121.404 121.223 -0.094 0.000 2.554 261 L HA 0.252 4.592 4.340 0.001 0.000 0.226 261 L C 1.706 178.475 176.870 -0.169 0.000 1.137 261 L CA 0.772 55.539 54.840 -0.121 0.000 0.863 261 L CB -0.728 41.254 42.059 -0.129 0.000 0.985 261 L HN 0.543 nan 8.230 nan 0.000 0.451 262 G N 0.796 109.471 108.800 -0.209 0.000 2.221 262 G HA2 -0.251 3.709 3.960 0.001 0.000 0.265 262 G HA3 -0.251 3.709 3.960 0.001 0.000 0.265 262 G C 0.245 174.955 174.900 -0.317 0.000 1.041 262 G CA 0.166 45.123 45.100 -0.239 0.000 0.807 262 G HN 0.128 nan 8.290 nan 0.000 0.502 263 V N -0.186 119.411 119.914 -0.527 0.000 2.740 263 V HA 0.381 4.502 4.120 0.001 0.000 0.303 263 V C 1.133 176.893 176.094 -0.557 0.000 1.054 263 V CA 0.324 62.223 62.300 -0.668 0.000 1.106 263 V CB 0.954 32.068 31.823 -1.181 0.000 0.957 263 V HN 0.510 nan 8.190 nan 0.000 0.486 264 R N 1.715 122.047 120.500 -0.280 0.000 2.803 264 R HA 0.655 4.995 4.340 0.001 0.000 0.276 264 R C 1.077 177.362 176.300 -0.024 0.000 0.978 264 R CA 0.100 56.131 56.100 -0.115 0.000 0.939 264 R CB 1.771 31.992 30.300 -0.131 0.000 1.179 264 R HN 0.957 nan 8.270 nan 0.000 0.472 265 G N 1.715 110.536 108.800 0.036 0.000 5.452 265 G HA2 -0.367 3.593 3.960 0.001 0.000 0.310 265 G HA3 -0.367 3.593 3.960 0.001 0.000 0.310 265 G C -0.026 174.957 174.900 0.138 0.000 1.392 265 G CA 0.887 45.999 45.100 0.020 0.000 0.942 265 G HN 0.635 nan 8.290 nan 0.000 0.776 266 M N -1.900 117.804 119.600 0.174 0.000 2.949 266 M HA 0.816 5.297 4.480 0.001 0.000 0.270 266 M C -0.926 175.549 176.300 0.292 0.000 1.221 266 M CA -0.337 55.120 55.300 0.261 0.000 0.818 266 M CB 1.855 34.490 32.600 0.058 0.000 1.635 266 M HN 2.319 nan 8.290 nan 0.000 0.492 267 A N 0.951 123.972 122.820 0.335 0.000 2.583 267 A HA 0.689 5.009 4.320 0.001 0.000 0.298 267 A C -1.915 175.871 177.584 0.337 0.000 1.055 267 A CA -0.731 51.474 52.037 0.280 0.000 0.714 267 A CB 1.707 20.949 19.000 0.403 0.000 1.277 267 A HN 0.914 nan 8.150 nan 0.000 0.406 268 R N 1.832 122.471 120.500 0.232 0.000 2.265 268 R HA 0.606 4.947 4.340 0.001 0.000 0.328 268 R C -1.400 174.992 176.300 0.154 0.000 0.969 268 R CA -0.326 55.947 56.100 0.287 0.000 0.832 268 R CB 1.135 31.586 30.300 0.252 0.000 1.139 268 R HN 0.538 nan 8.270 nan 0.000 0.457 269 V N 4.998 125.004 119.914 0.154 0.000 2.350 269 V HA 0.189 4.310 4.120 0.001 0.000 0.276 269 V C -0.472 175.646 176.094 0.040 0.000 1.028 269 V CA -0.689 61.642 62.300 0.053 0.000 0.860 269 V CB 1.383 33.280 31.823 0.123 0.000 0.990 269 V HN 0.729 nan 8.190 nan 0.000 0.453 270 D N 4.656 124.972 120.400 -0.141 0.000 2.198 270 D HA 0.594 5.235 4.640 0.001 0.000 0.245 270 D C -0.530 175.554 176.300 -0.360 0.000 1.079 270 D CA 0.077 53.994 54.000 -0.138 0.000 0.854 270 D CB 1.658 42.347 40.800 -0.186 0.000 1.148 270 D HN 0.250 nan 8.370 nan 0.000 0.456 271 F N 0.694 120.505 119.950 -0.230 0.000 2.618 271 F HA 0.538 5.065 4.527 0.000 0.000 0.332 271 F C -0.231 175.444 175.800 -0.207 0.000 1.061 271 F CA -0.995 56.867 58.000 -0.230 0.000 0.974 271 F CB 1.161 40.119 39.000 -0.070 0.000 1.310 271 F HN 0.086 nan 8.300 nan 0.000 0.491 272 F N 1.915 122.041 119.950 0.294 0.000 2.495 272 F HA 0.612 5.140 4.527 0.000 0.000 0.327 272 F C -0.743 175.223 175.800 0.277 0.000 1.103 272 F CA -1.201 56.920 58.000 0.201 0.000 0.949 272 F CB 1.741 40.807 39.000 0.110 0.000 1.142 272 F HN 0.077 nan 8.300 nan 0.000 0.457 273 L N 3.343 124.799 121.223 0.387 0.000 2.349 273 L HA 0.904 5.244 4.340 0.001 0.000 0.278 273 L C -1.117 175.882 176.870 0.215 0.000 0.996 273 L CA -0.518 54.479 54.840 0.262 0.000 0.825 273 L CB 1.078 43.224 42.059 0.145 0.000 1.243 273 L HN 0.654 nan 8.230 nan 0.000 0.412 274 A N 3.570 126.537 122.820 0.246 0.000 2.437 274 A HA 0.618 4.938 4.320 0.001 0.000 0.293 274 A C -0.113 177.567 177.584 0.159 0.000 1.038 274 A CA -0.270 51.868 52.037 0.168 0.000 0.708 274 A CB 0.716 19.792 19.000 0.127 0.000 1.251 274 A HN 0.843 nan 8.150 nan 0.000 0.409 275 E N 1.176 121.432 120.200 0.093 0.000 2.440 275 E HA -0.287 4.063 4.350 0.001 0.000 0.246 275 E C 1.046 177.685 176.600 0.065 0.000 1.165 275 E CA 1.288 57.731 56.400 0.072 0.000 0.726 275 E CB -1.660 28.085 29.700 0.076 0.000 1.271 275 E HN 2.400 nan 8.360 nan 0.000 0.397 276 G N -0.357 108.478 108.800 0.059 0.000 2.162 276 G HA2 -0.322 3.639 3.960 0.001 0.000 0.260 276 G HA3 -0.322 3.639 3.960 0.001 0.000 0.260 276 G C -0.048 174.863 174.900 0.018 0.000 0.976 276 G CA 0.684 45.803 45.100 0.032 0.000 0.655 276 G HN 0.263 nan 8.290 nan 0.000 0.533 277 E N -0.231 119.998 120.200 0.049 0.000 2.179 277 E HA 0.645 4.995 4.350 0.001 0.000 0.275 277 E C 0.293 176.842 176.600 -0.085 0.000 0.945 277 E CA -0.624 55.743 56.400 -0.056 0.000 0.792 277 E CB 1.737 31.398 29.700 -0.066 0.000 1.125 277 E HN 0.323 nan 8.360 nan 0.000 0.397 278 L N 2.751 123.838 121.223 -0.227 0.000 2.322 278 L HA 0.434 4.774 4.340 0.001 0.000 0.279 278 L C -0.880 175.822 176.870 -0.279 0.000 1.036 278 L CA -0.787 54.004 54.840 -0.082 0.000 0.807 278 L CB 0.612 42.651 42.059 -0.035 0.000 1.226 278 L HN 0.432 nan 8.230 nan 0.000 0.433 279 Y N 2.478 122.935 120.300 0.263 0.000 2.386 279 Y HA 0.376 4.927 4.550 0.000 0.000 0.334 279 Y C -0.357 175.580 175.900 0.062 0.000 1.002 279 Y CA -0.606 57.602 58.100 0.181 0.000 1.068 279 Y CB 1.858 40.441 38.460 0.206 0.000 1.203 279 Y HN 0.361 nan 8.280 nan 0.000 0.443 280 L N 3.352 124.559 121.223 -0.027 0.000 2.315 280 L HA 0.263 4.603 4.340 0.001 0.000 0.283 280 L C 0.592 177.194 176.870 -0.446 0.000 1.089 280 L CA 0.111 54.607 54.840 -0.573 0.000 0.833 280 L CB 0.641 42.352 42.059 -0.581 0.000 1.170 280 L HN 0.853 nan 8.230 nan 0.000 0.442 281 N N 3.552 121.873 118.700 -0.631 0.000 2.278 281 N HA 0.011 4.751 4.740 0.001 0.000 0.181 281 N C -0.231 175.030 175.510 -0.414 0.000 1.023 281 N CA 0.635 53.334 53.050 -0.586 0.000 0.862 281 N CB 0.473 38.275 38.487 -1.142 0.000 1.003 281 N HN 0.733 nan 8.380 nan 0.000 0.431 282 E N -1.084 118.866 120.200 -0.416 0.000 2.388 282 E HA 0.300 4.650 4.350 0.001 0.000 0.280 282 E C -1.971 174.498 176.600 -0.218 0.000 1.019 282 E CA -0.632 55.605 56.400 -0.271 0.000 0.806 282 E CB 0.737 30.315 29.700 -0.203 0.000 1.246 282 E HN 0.024 nan 8.360 nan 0.000 0.443 283 L N 3.344 124.481 121.223 -0.142 0.000 2.294 283 L HA 0.410 4.750 4.340 0.001 0.000 0.283 283 L C -0.476 176.375 176.870 -0.031 0.000 1.015 283 L CA -0.439 54.362 54.840 -0.065 0.000 0.831 283 L CB 1.340 43.369 42.059 -0.049 0.000 1.217 283 L HN 0.373 nan 8.230 nan 0.000 0.420 284 N N 1.776 120.479 118.700 0.006 0.000 2.420 284 N HA 0.123 4.864 4.740 0.001 0.000 0.249 284 N C 0.918 176.454 175.510 0.044 0.000 1.033 284 N CA 0.043 53.106 53.050 0.023 0.000 0.944 284 N CB 1.693 40.200 38.487 0.034 0.000 1.113 284 N HN 0.655 nan 8.380 nan 0.000 0.502 285 T N -1.278 113.296 114.554 0.034 0.000 3.023 285 T HA 0.091 4.441 4.350 0.001 0.000 0.266 285 T C 0.946 175.676 174.700 0.051 0.000 1.093 285 T CA 0.687 62.807 62.100 0.033 0.000 1.129 285 T CB 0.283 69.158 68.868 0.010 0.000 0.899 285 T HN 0.331 nan 8.240 nan 0.000 0.491 286 I N 3.283 123.913 120.570 0.101 0.000 2.862 286 I HA 0.370 4.541 4.170 0.001 0.000 0.285 286 I C -2.736 173.556 176.117 0.293 0.000 1.339 286 I CA -2.962 58.445 61.300 0.179 0.000 1.002 286 I CB 0.794 38.896 38.000 0.170 0.000 1.618 286 I HN 0.068 nan 8.210 nan 0.000 0.593 287 P HA 0.117 nan 4.420 nan 0.000 0.274 287 P C 0.511 177.969 177.300 0.264 0.000 1.246 287 P CA 0.091 63.288 63.100 0.162 0.000 0.795 287 P CB 1.088 32.855 31.700 0.111 0.000 1.006 288 G N 0.312 109.130 108.800 0.031 0.000 2.321 288 G HA2 0.019 3.980 3.960 0.001 0.000 0.237 288 G HA3 0.019 3.980 3.960 0.001 0.000 0.237 288 G C -0.587 174.480 174.900 0.279 0.000 1.282 288 G CA -0.191 44.935 45.100 0.043 0.000 0.886 288 G HN 0.439 nan 8.290 nan 0.000 0.528 289 F N 1.068 121.134 119.950 0.194 0.000 2.850 289 F HA 0.266 4.793 4.527 0.001 0.000 0.329 289 F C 1.254 177.203 175.800 0.248 0.000 1.182 289 F CA -0.415 57.738 58.000 0.256 0.000 1.270 289 F CB 0.646 39.796 39.000 0.250 0.000 0.979 289 F HN 0.332 nan 8.300 nan 0.000 0.506 290 T N 1.635 116.293 114.554 0.173 0.000 2.913 290 T HA 0.092 4.443 4.350 0.001 0.000 0.297 290 T C -1.467 173.171 174.700 -0.104 0.000 1.029 290 T CA -0.937 61.207 62.100 0.075 0.000 1.104 290 T CB 1.314 70.200 68.868 0.031 0.000 0.964 290 T HN -0.051 nan 8.240 nan 0.000 0.532 291 P HA -0.083 nan 4.420 nan 0.000 0.220 291 P C 1.238 178.339 177.300 -0.332 0.000 1.144 291 P CA 1.010 63.737 63.100 -0.621 0.000 0.800 291 P CB -0.034 31.317 31.700 -0.582 0.000 0.772 292 T N -6.436 108.009 114.554 -0.183 0.000 3.105 292 T HA 0.242 4.593 4.350 0.001 0.000 0.253 292 T C 0.749 175.396 174.700 -0.087 0.000 1.047 292 T CA -0.290 61.738 62.100 -0.121 0.000 0.944 292 T CB -0.341 68.478 68.868 -0.082 0.000 1.016 292 T HN -0.148 nan 8.240 nan 0.000 0.544 293 S N 1.632 117.283 115.700 -0.080 0.000 2.603 293 S HA 0.386 4.856 4.470 0.001 0.000 0.268 293 S C 1.216 175.787 174.600 -0.048 0.000 1.317 293 S CA -0.687 57.487 58.200 -0.044 0.000 1.012 293 S CB 1.065 64.256 63.200 -0.014 0.000 0.926 293 S HN 0.301 nan 8.310 nan 0.000 0.539 294 M N 1.765 121.353 119.600 -0.020 0.000 2.080 294 M HA -0.120 4.361 4.480 0.001 0.000 0.260 294 M C 1.679 177.975 176.300 -0.007 0.000 1.068 294 M CA 1.819 57.107 55.300 -0.021 0.000 1.109 294 M CB -0.830 31.768 32.600 -0.003 0.000 1.342 294 M HN 0.811 nan 8.290 nan 0.000 0.405 295 Y N 0.421 120.682 120.300 -0.065 0.000 2.097 295 Y HA -0.167 4.383 4.550 0.000 0.000 0.282 295 Y C -0.916 174.967 175.900 -0.029 0.000 1.152 295 Y CA 2.485 60.570 58.100 -0.025 0.000 1.136 295 Y CB -1.816 36.651 38.460 0.012 0.000 0.975 295 Y HN 0.246 nan 8.280 nan 0.000 0.498 296 P HA -0.147 nan 4.420 nan 0.000 0.216 296 P C 1.270 178.537 177.300 -0.055 0.000 1.153 296 P CA 2.208 65.270 63.100 -0.062 0.000 0.848 296 P CB -0.075 31.587 31.700 -0.063 0.000 0.787 297 R N -1.198 119.243 120.500 -0.099 0.000 2.096 297 R HA -0.085 4.256 4.340 0.001 0.000 0.235 297 R C 2.083 178.308 176.300 -0.125 0.000 1.127 297 R CA 0.931 56.969 56.100 -0.103 0.000 0.968 297 R CB -1.148 29.090 30.300 -0.104 0.000 0.861 297 R HN 0.151 nan 8.270 nan 0.000 0.440 298 L N -0.221 120.890 121.223 -0.187 0.000 1.989 298 L HA -0.158 4.182 4.340 0.001 0.000 0.211 298 L C 2.008 178.663 176.870 -0.358 0.000 1.071 298 L CA 1.764 56.428 54.840 -0.294 0.000 0.749 298 L CB -0.697 41.124 42.059 -0.397 0.000 0.890 298 L HN 0.026 nan 8.230 nan 0.000 0.431 299 F N -0.138 119.652 119.950 -0.266 0.000 2.234 299 F HA -0.164 4.364 4.527 0.001 0.000 0.299 299 F C 2.563 178.292 175.800 -0.118 0.000 1.087 299 F CA 1.364 59.238 58.000 -0.209 0.000 1.340 299 F CB -0.386 38.457 39.000 -0.262 0.000 1.031 299 F HN 0.266 nan 8.300 nan 0.000 0.500 300 E N 0.290 120.519 120.200 0.049 0.000 2.058 300 E HA -0.231 4.119 4.350 0.001 0.000 0.194 300 E C 2.286 178.880 176.600 -0.011 0.000 0.997 300 E CA 1.169 57.585 56.400 0.026 0.000 0.801 300 E CB -0.199 29.495 29.700 -0.010 0.000 0.746 300 E HN 0.294 nan 8.360 nan 0.000 0.450 301 A N 0.299 123.085 122.820 -0.056 0.000 2.121 301 A HA -0.013 4.307 4.320 0.001 0.000 0.218 301 A C 2.118 179.663 177.584 -0.065 0.000 1.154 301 A CA 1.228 53.225 52.037 -0.067 0.000 0.679 301 A CB -0.495 18.448 19.000 -0.095 0.000 0.795 301 A HN 0.395 nan 8.150 nan 0.000 0.458 302 G N -1.970 106.791 108.800 -0.064 0.000 2.985 302 G HA2 0.374 4.334 3.960 0.001 0.000 0.209 302 G HA3 0.374 4.334 3.960 0.001 0.000 0.209 302 G C 1.065 175.979 174.900 0.024 0.000 1.165 302 G CA 0.436 45.511 45.100 -0.043 0.000 0.776 302 G HN 1.554 nan 8.290 nan 0.000 0.541 303 G N -1.310 107.506 108.800 0.026 0.000 2.141 303 G HA2 -0.210 3.750 3.960 0.001 0.000 0.231 303 G HA3 -0.210 3.750 3.960 0.001 0.000 0.231 303 G C 0.023 174.955 174.900 0.055 0.000 0.984 303 G CA 0.092 45.212 45.100 0.033 0.000 0.660 303 G HN 0.786 nan 8.290 nan 0.000 0.525 304 V N 1.389 121.355 119.914 0.088 0.000 2.293 304 V HA 0.746 4.866 4.120 0.001 0.000 0.275 304 V C 0.920 177.063 176.094 0.082 0.000 1.021 304 V CA -0.523 61.827 62.300 0.082 0.000 0.815 304 V CB 0.906 32.785 31.823 0.094 0.000 1.025 304 V HN 1.111 nan 8.190 nan 0.000 0.448 305 A N 3.429 126.288 122.820 0.065 0.000 2.520 305 A HA 0.193 4.513 4.320 0.001 0.000 0.235 305 A C 0.923 178.582 177.584 0.126 0.000 1.065 305 A CA 0.172 52.259 52.037 0.083 0.000 0.764 305 A CB -0.073 18.967 19.000 0.067 0.000 1.002 305 A HN 0.852 nan 8.150 nan 0.000 0.502 306 Y N 2.906 123.196 120.300 -0.016 0.000 2.102 306 Y HA -0.171 4.380 4.550 0.001 0.000 0.280 306 Y C -0.780 175.162 175.900 0.069 0.000 1.178 306 Y CA 2.961 61.056 58.100 -0.008 0.000 1.146 306 Y CB -1.284 37.084 38.460 -0.154 0.000 0.968 306 Y HN 0.541 nan 8.280 nan 0.000 0.504 307 P HA -0.135 nan 4.420 nan 0.000 0.217 307 P C 1.364 178.652 177.300 -0.020 0.000 1.151 307 P CA 2.054 65.170 63.100 0.026 0.000 0.828 307 P CB 0.035 31.787 31.700 0.087 0.000 0.788 308 E N -0.318 119.886 120.200 0.006 0.000 2.107 308 E HA -0.146 4.205 4.350 0.001 0.000 0.191 308 E C 1.749 178.346 176.600 -0.005 0.000 0.982 308 E CA 0.703 57.101 56.400 -0.003 0.000 0.809 308 E CB -1.178 28.528 29.700 0.010 0.000 0.756 308 E HN 0.001 nan 8.360 nan 0.000 0.459 309 L N 0.112 121.335 121.223 0.000 0.000 2.046 309 L HA -0.063 4.277 4.340 0.001 0.000 0.208 309 L C 2.067 178.966 176.870 0.048 0.000 1.077 309 L CA 1.651 56.490 54.840 -0.003 0.000 0.747 309 L CB -0.525 41.564 42.059 0.051 0.000 0.896 309 L HN 0.255 nan 8.230 nan 0.000 0.432 310 L N -0.697 120.547 121.223 0.034 0.000 2.056 310 L HA -0.184 4.156 4.340 0.001 0.000 0.207 310 L C 2.818 179.761 176.870 0.122 0.000 1.078 310 L CA 1.466 56.356 54.840 0.083 0.000 0.749 310 L CB -0.598 41.471 42.059 0.017 0.000 0.901 310 L HN 0.329 nan 8.230 nan 0.000 0.433 311 R N 0.547 121.097 120.500 0.083 0.000 2.081 311 R HA -0.164 4.176 4.340 0.001 0.000 0.235 311 R C 2.456 178.864 176.300 0.180 0.000 1.131 311 R CA 1.443 57.651 56.100 0.180 0.000 0.960 311 R CB -0.059 30.249 30.300 0.013 0.000 0.856 311 R HN 0.299 nan 8.270 nan 0.000 0.436 312 R N 0.159 120.701 120.500 0.070 0.000 2.096 312 R HA -0.084 4.257 4.340 0.001 0.000 0.235 312 R C 2.427 178.727 176.300 -0.000 0.000 1.127 312 R CA 1.325 57.441 56.100 0.027 0.000 0.968 312 R CB -0.325 29.961 30.300 -0.023 0.000 0.861 312 R HN 0.259 nan 8.270 nan 0.000 0.440 313 L N 0.115 121.328 121.223 -0.017 0.000 2.046 313 L HA -0.167 4.174 4.340 0.001 0.000 0.208 313 L C 2.363 179.149 176.870 -0.141 0.000 1.077 313 L CA 0.982 55.757 54.840 -0.109 0.000 0.747 313 L CB -0.392 41.548 42.059 -0.197 0.000 0.896 313 L HN 0.026 nan 8.230 nan 0.000 0.432 314 V N -0.545 119.337 119.914 -0.054 0.000 2.358 314 V HA -0.217 3.904 4.120 0.001 0.000 0.246 314 V C 2.514 178.550 176.094 -0.097 0.000 1.047 314 V CA 1.517 63.769 62.300 -0.080 0.000 1.035 314 V CB -0.437 31.380 31.823 -0.010 0.000 0.658 314 V HN 0.416 nan 8.190 nan 0.000 0.452 315 E N 0.054 120.240 120.200 -0.024 0.000 2.110 315 E HA -0.144 4.206 4.350 0.001 0.000 0.193 315 E C 2.207 178.777 176.600 -0.051 0.000 0.988 315 E CA 1.004 57.387 56.400 -0.029 0.000 0.804 315 E CB -0.295 29.424 29.700 0.032 0.000 0.745 315 E HN 0.511 nan 8.360 nan 0.000 0.458 316 L N 0.475 121.665 121.223 -0.056 0.000 2.083 316 L HA -0.134 4.207 4.340 0.001 0.000 0.209 316 L C 2.469 179.277 176.870 -0.103 0.000 1.083 316 L CA 1.003 55.806 54.840 -0.063 0.000 0.752 316 L CB -0.464 41.562 42.059 -0.055 0.000 0.899 316 L HN 0.055 nan 8.230 nan 0.000 0.433 317 A N -0.113 122.622 122.820 -0.141 0.000 2.019 317 A HA -0.143 4.177 4.320 0.001 0.000 0.219 317 A C 2.117 179.605 177.584 -0.160 0.000 1.164 317 A CA 1.367 53.292 52.037 -0.187 0.000 0.644 317 A CB -0.535 18.350 19.000 -0.191 0.000 0.805 317 A HN 0.432 nan 8.150 nan 0.000 0.449 318 L N -0.147 121.005 121.223 -0.119 0.000 2.558 318 L HA 0.071 4.411 4.340 0.001 0.000 0.225 318 L C 1.323 178.148 176.870 -0.075 0.000 1.128 318 L CA 0.608 55.390 54.840 -0.095 0.000 0.868 318 L CB -0.336 41.671 42.059 -0.086 0.000 1.006 318 L HN 0.541 nan 8.230 nan 0.000 0.454 319 T N 0.000 114.512 114.554 -0.070 0.000 3.816 319 T HA 0.000 4.350 4.350 0.001 0.000 0.228 319 T CA 0.000 62.073 62.100 -0.046 0.000 1.349 319 T CB 0.000 68.854 68.868 -0.024 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658