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 3c1m_1_D DATA FIRST_RESID 2 DATA SEQUENCE TTVMKFGGTS VGSGERIRHV AKIVTKRKKE DDDVVVVVSA MSEVTNALVE DATA SEQUENCE ISQQALDVRD IAKVGDFIKF IREKHYKAIE EAIKSEEIKE EVKKIIDSRI DATA SEQUENCE EELEKVLIGV AYLGELTPKS RDYILSFGER LSSPILSGAI RDLGEKSIAL DATA SEQUENCE EGGEAGIITD NNFGSARVKR LEVKERLLPL LKEGIIPVVT GFIGTTEEGY DATA SEQUENCE ITTLGRGGSD YSAALIGYGL DADIIEIWTD VSGVYTTDPR LVPTARRIPK DATA SEQUENCE LSYIEAMELA YFGAKVLHPR TIEPAMEKGI PILVKNTFEP ESEGTLITND DATA SEQUENCE MEMSDSIVKA ISTIKNVALI NIFGAGMVGV SGTAARIFKA LGEEEVNVIL DATA SEQUENCE ISQGSSETNI SLVVSEEDVD KALKALKREF GDXXXKSFLN NNLIRDVSVD DATA SEQUENCE KDVCVISVVG AGMRGAKGIA GKIFTAVSES GANIKMIAQG SSEVNISFVI DATA SEQUENCE DEKDLLNCVR KLHEKFIEK 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.719 174.700 0.032 0.000 1.109 2 T CA 0.000 62.113 62.100 0.021 0.000 1.349 2 T CB 0.000 68.877 68.868 0.014 0.000 0.612 3 T N 2.198 116.776 114.554 0.040 0.000 2.881 3 T HA 0.607 4.957 4.350 0.001 0.000 0.291 3 T C -0.400 174.338 174.700 0.062 0.000 0.990 3 T CA -0.647 61.487 62.100 0.056 0.000 0.976 3 T CB 1.803 70.711 68.868 0.067 0.000 0.970 3 T HN 0.625 nan 8.240 nan 0.000 0.438 4 V N 5.881 125.834 119.914 0.065 0.000 2.407 4 V HA 0.683 4.804 4.120 0.001 0.000 0.278 4 V C -0.754 175.391 176.094 0.085 0.000 1.037 4 V CA -0.632 61.710 62.300 0.070 0.000 0.900 4 V CB 0.816 32.674 31.823 0.059 0.000 0.983 4 V HN 0.904 nan 8.190 nan 0.000 0.459 5 M N 7.960 127.617 119.600 0.095 0.000 2.134 5 M HA 0.522 5.002 4.480 0.001 0.000 0.310 5 M C -0.676 175.630 176.300 0.010 0.000 0.966 5 M CA -0.457 54.886 55.300 0.071 0.000 0.922 5 M CB 1.721 34.396 32.600 0.124 0.000 1.537 5 M HN 0.496 nan 8.290 nan 0.000 0.424 6 K N 3.944 124.292 120.400 -0.086 0.000 2.206 6 K HA 0.586 4.907 4.320 0.001 0.000 0.264 6 K C -1.966 174.493 176.600 -0.236 0.000 0.967 6 K CA -0.167 56.098 56.287 -0.038 0.000 0.844 6 K CB 1.070 33.589 32.500 0.032 0.000 1.099 6 K HN 0.550 nan 8.250 nan 0.000 0.441 7 F N 0.996 121.022 119.950 0.125 0.000 2.495 7 F HA 0.427 4.954 4.527 0.001 0.000 0.327 7 F C 1.085 176.946 175.800 0.102 0.000 1.103 7 F CA -0.588 57.484 58.000 0.119 0.000 0.949 7 F CB 1.996 41.010 39.000 0.024 0.000 1.142 7 F HN 0.612 nan 8.300 nan 0.000 0.457 8 G N 0.586 109.550 108.800 0.273 0.000 2.535 8 G HA2 0.415 4.375 3.960 0.001 0.000 0.303 8 G HA3 0.415 4.375 3.960 0.001 0.000 0.303 8 G C 0.971 175.978 174.900 0.179 0.000 1.237 8 G CA -0.288 44.925 45.100 0.189 0.000 0.986 8 G HN 0.866 nan 8.290 nan 0.000 0.494 9 G N -0.696 108.182 108.800 0.130 0.000 2.476 9 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 9 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 9 G C 1.904 176.887 174.900 0.139 0.000 1.164 9 G CA 2.400 47.568 45.100 0.113 0.000 0.768 9 G HN 0.959 nan 8.290 nan 0.000 0.560 10 T N -1.470 113.189 114.554 0.175 0.000 2.915 10 T HA -0.031 4.320 4.350 0.001 0.000 0.269 10 T C 2.464 177.385 174.700 0.367 0.000 1.071 10 T CA 1.698 63.942 62.100 0.240 0.000 1.132 10 T CB -0.309 68.698 68.868 0.232 0.000 0.878 10 T HN 0.163 nan 8.240 nan 0.000 0.479 11 S N 1.476 117.356 115.700 0.300 0.000 2.399 11 S HA 0.000 4.471 4.470 0.001 0.000 0.231 11 S C 1.725 176.378 174.600 0.088 0.000 1.022 11 S CA 1.162 59.460 58.200 0.164 0.000 0.983 11 S CB -0.348 63.011 63.200 0.264 0.000 0.803 11 S HN 0.725 nan 8.310 nan 0.000 0.480 12 V N -0.861 119.118 119.914 0.108 0.000 2.982 12 V HA 0.589 4.710 4.120 0.001 0.000 0.368 12 V C 1.241 177.367 176.094 0.053 0.000 1.350 12 V CA 0.100 62.428 62.300 0.046 0.000 1.251 12 V CB -0.134 31.706 31.823 0.030 0.000 1.284 12 V HN 0.267 nan 8.190 nan 0.000 0.533 13 G N 1.043 109.899 108.800 0.093 0.000 2.848 13 G HA2 0.313 4.273 3.960 0.001 0.000 0.208 13 G HA3 0.313 4.273 3.960 0.001 0.000 0.208 13 G C 0.517 175.430 174.900 0.022 0.000 1.152 13 G CA 0.864 46.005 45.100 0.068 0.000 0.789 13 G HN 0.943 nan 8.290 nan 0.000 0.531 14 S N -3.162 112.550 115.700 0.019 0.000 2.643 14 S HA 0.575 5.045 4.470 0.001 0.000 0.270 14 S C 1.117 175.710 174.600 -0.011 0.000 1.166 14 S CA 0.150 58.344 58.200 -0.009 0.000 0.815 14 S CB 1.046 64.251 63.200 0.008 0.000 1.139 14 S HN 0.277 nan 8.310 nan 0.000 0.472 15 G N 0.349 109.137 108.800 -0.019 0.000 2.421 15 G HA2 -0.132 3.828 3.960 0.001 0.000 0.216 15 G HA3 -0.132 3.828 3.960 0.001 0.000 0.216 15 G C 0.998 175.891 174.900 -0.011 0.000 1.171 15 G CA 1.093 46.183 45.100 -0.017 0.000 0.775 15 G HN 0.893 nan 8.290 nan 0.000 0.543 16 E N 0.181 120.381 120.200 -0.000 0.000 2.086 16 E HA -0.233 4.118 4.350 0.001 0.000 0.200 16 E C 2.679 179.291 176.600 0.020 0.000 1.012 16 E CA 1.226 57.632 56.400 0.010 0.000 0.812 16 E CB -0.069 29.640 29.700 0.015 0.000 0.743 16 E HN 0.394 nan 8.360 nan 0.000 0.453 17 R N -0.159 120.356 120.500 0.026 0.000 2.066 17 R HA -0.095 4.245 4.340 0.001 0.000 0.232 17 R C 2.540 178.827 176.300 -0.021 0.000 1.131 17 R CA 1.450 57.566 56.100 0.026 0.000 0.955 17 R CB -0.315 30.028 30.300 0.072 0.000 0.851 17 R HN 0.265 nan 8.270 nan 0.000 0.432 18 I N 0.356 120.900 120.570 -0.043 0.000 2.163 18 I HA -0.320 3.851 4.170 0.001 0.000 0.243 18 I C 2.747 178.785 176.117 -0.132 0.000 1.085 18 I CA 1.345 62.586 61.300 -0.099 0.000 1.347 18 I CB -0.253 37.707 38.000 -0.066 0.000 1.044 18 I HN 0.140 nan 8.210 nan 0.000 0.408 19 R N -0.082 120.372 120.500 -0.077 0.000 2.096 19 R HA -0.257 4.084 4.340 0.001 0.000 0.235 19 R C 2.470 178.711 176.300 -0.100 0.000 1.127 19 R CA 1.855 57.907 56.100 -0.080 0.000 0.968 19 R CB -0.330 29.946 30.300 -0.039 0.000 0.861 19 R HN 0.432 nan 8.270 nan 0.000 0.440 20 H N -0.189 118.785 119.070 -0.160 0.000 2.293 20 H HA -0.090 4.467 4.556 0.001 0.000 0.300 20 H C 1.861 177.016 175.328 -0.290 0.000 1.082 20 H CA 2.274 58.214 56.048 -0.180 0.000 1.308 20 H CB -0.299 29.372 29.762 -0.150 0.000 1.375 20 H HN 0.007 nan 8.280 nan 0.000 0.495 21 V N 1.044 120.702 119.914 -0.428 0.000 2.282 21 V HA -0.343 3.777 4.120 0.001 0.000 0.249 21 V C 2.785 178.452 176.094 -0.712 0.000 1.057 21 V CA 1.975 63.804 62.300 -0.785 0.000 1.032 21 V CB -1.440 29.844 31.823 -0.898 0.000 0.645 21 V HN 0.743 nan 8.190 nan 0.000 0.447 22 A N -0.557 121.991 122.820 -0.453 0.000 1.948 22 A HA -0.284 4.037 4.320 0.001 0.000 0.220 22 A C 2.284 179.700 177.584 -0.280 0.000 1.177 22 A CA 2.201 54.046 52.037 -0.320 0.000 0.636 22 A CB -0.454 18.423 19.000 -0.206 0.000 0.815 22 A HN 0.596 nan 8.150 nan 0.000 0.449 23 K N -0.623 119.600 120.400 -0.296 0.000 2.103 23 K HA 0.042 4.363 4.320 0.001 0.000 0.204 23 K C 1.769 178.197 176.600 -0.287 0.000 1.052 23 K CA 1.251 57.388 56.287 -0.250 0.000 0.945 23 K CB -0.298 32.070 32.500 -0.221 0.000 0.722 23 K HN 0.542 nan 8.250 nan 0.000 0.443 24 I N 0.716 121.027 120.570 -0.433 0.000 2.226 24 I HA -0.284 3.887 4.170 0.001 0.000 0.245 24 I C 2.203 178.165 176.117 -0.258 0.000 1.100 24 I CA 1.084 62.140 61.300 -0.407 0.000 1.374 24 I CB -0.320 37.289 38.000 -0.653 0.000 1.057 24 I HN -0.071 nan 8.210 nan 0.000 0.413 25 V N 0.367 120.125 119.914 -0.261 0.000 2.295 25 V HA -0.285 3.836 4.120 0.001 0.000 0.246 25 V C 2.491 178.530 176.094 -0.092 0.000 1.049 25 V CA 2.504 64.724 62.300 -0.133 0.000 1.024 25 V CB -0.878 30.854 31.823 -0.153 0.000 0.648 25 V HN 0.453 nan 8.190 nan 0.000 0.447 26 T N -0.617 113.868 114.554 -0.115 0.000 2.867 26 T HA -0.206 4.145 4.350 0.001 0.000 0.268 26 T C 1.942 176.606 174.700 -0.059 0.000 1.057 26 T CA 1.703 63.755 62.100 -0.079 0.000 1.136 26 T CB -0.162 68.654 68.868 -0.086 0.000 0.874 26 T HN 0.485 nan 8.240 nan 0.000 0.466 27 K N 0.813 121.170 120.400 -0.072 0.000 2.057 27 K HA -0.114 4.206 4.320 0.001 0.000 0.206 27 K C 2.470 179.061 176.600 -0.015 0.000 1.050 27 K CA 1.166 57.428 56.287 -0.043 0.000 0.935 27 K CB -0.046 32.424 32.500 -0.050 0.000 0.715 27 K HN -0.014 nan 8.250 nan 0.000 0.439 28 R N 1.525 122.019 120.500 -0.010 0.000 2.096 28 R HA -0.136 4.204 4.340 0.001 0.000 0.235 28 R C 2.023 178.334 176.300 0.017 0.000 1.127 28 R CA 1.815 57.929 56.100 0.024 0.000 0.968 28 R CB -0.351 29.978 30.300 0.049 0.000 0.861 28 R HN 0.067 nan 8.270 nan 0.000 0.440 29 K N 0.679 121.080 120.400 0.001 0.000 2.160 29 K HA -0.140 4.181 4.320 0.001 0.000 0.206 29 K C 1.493 178.094 176.600 0.001 0.000 1.047 29 K CA 1.836 58.123 56.287 -0.000 0.000 0.930 29 K CB -0.003 32.489 32.500 -0.013 0.000 0.720 29 K HN 0.240 nan 8.250 nan 0.000 0.450 30 K N -0.178 120.221 120.400 -0.001 0.000 2.155 30 K HA -0.073 4.248 4.320 0.001 0.000 0.203 30 K C 1.885 178.490 176.600 0.008 0.000 1.052 30 K CA 1.523 57.811 56.287 0.001 0.000 0.948 30 K CB 0.060 32.559 32.500 -0.002 0.000 0.728 30 K HN 0.298 nan 8.250 nan 0.000 0.448 31 E N 0.399 120.607 120.200 0.015 0.000 2.060 31 E HA -0.061 4.289 4.350 0.001 0.000 0.189 31 E C 0.227 176.839 176.600 0.020 0.000 0.974 31 E CA 0.601 57.013 56.400 0.020 0.000 0.808 31 E CB 0.233 29.951 29.700 0.030 0.000 0.768 31 E HN 0.047 nan 8.360 nan 0.000 0.453 32 D N -0.112 120.302 120.400 0.023 0.000 2.481 32 D HA 0.060 4.701 4.640 0.001 0.000 0.246 32 D C -0.643 175.668 176.300 0.018 0.000 1.109 32 D CA -0.364 53.650 54.000 0.022 0.000 0.845 32 D CB 1.621 42.440 40.800 0.031 0.000 1.160 32 D HN -0.195 nan 8.370 nan 0.000 0.534 33 D N 1.736 122.144 120.400 0.012 0.000 2.348 33 D HA -0.055 4.586 4.640 0.001 0.000 0.216 33 D C -0.506 175.800 176.300 0.010 0.000 0.970 33 D CA 0.624 54.629 54.000 0.008 0.000 0.889 33 D CB 0.374 41.177 40.800 0.005 0.000 0.912 33 D HN 0.284 nan 8.370 nan 0.000 0.524 34 D N 0.622 121.030 120.400 0.014 0.000 2.485 34 D HA 0.150 4.790 4.640 0.001 0.000 0.221 34 D C -0.782 175.532 176.300 0.023 0.000 1.112 34 D CA -0.189 53.820 54.000 0.015 0.000 0.911 34 D CB 1.453 42.261 40.800 0.013 0.000 1.019 34 D HN -0.126 nan 8.370 nan 0.000 0.516 35 V N 2.427 122.355 119.914 0.024 0.000 2.409 35 V HA 0.314 4.435 4.120 0.001 0.000 0.291 35 V C 0.215 176.331 176.094 0.035 0.000 1.020 35 V CA -0.818 61.503 62.300 0.035 0.000 0.848 35 V CB 2.180 34.023 31.823 0.035 0.000 0.990 35 V HN 0.143 nan 8.190 nan 0.000 0.430 36 V N 5.638 125.579 119.914 0.045 0.000 2.398 36 V HA 0.494 4.614 4.120 0.001 0.000 0.286 36 V C -0.070 176.068 176.094 0.073 0.000 1.026 36 V CA -0.671 61.658 62.300 0.048 0.000 0.868 36 V CB 1.835 33.682 31.823 0.039 0.000 0.982 36 V HN 0.590 nan 8.190 nan 0.000 0.443 37 V N 5.407 125.369 119.914 0.080 0.000 2.472 37 V HA 0.473 4.593 4.120 0.001 0.000 0.290 37 V C -0.012 176.150 176.094 0.113 0.000 1.037 37 V CA -0.515 61.862 62.300 0.128 0.000 0.908 37 V CB 1.799 33.699 31.823 0.127 0.000 0.985 37 V HN 0.624 nan 8.190 nan 0.000 0.454 38 V N 5.160 125.157 119.914 0.139 0.000 2.483 38 V HA 0.610 4.730 4.120 0.001 0.000 0.295 38 V C -0.263 175.932 176.094 0.169 0.000 1.035 38 V CA -0.553 61.819 62.300 0.119 0.000 0.896 38 V CB 1.920 33.797 31.823 0.090 0.000 0.986 38 V HN 0.602 nan 8.190 nan 0.000 0.447 39 V N 3.892 123.890 119.914 0.140 0.000 2.760 39 V HA 0.605 4.725 4.120 0.001 0.000 0.309 39 V C 0.052 176.222 176.094 0.127 0.000 1.077 39 V CA -0.046 62.346 62.300 0.154 0.000 0.910 39 V CB 2.830 34.725 31.823 0.121 0.000 1.008 39 V HN 0.972 nan 8.190 nan 0.000 0.424 40 S N 3.566 119.343 115.700 0.129 0.000 2.681 40 S HA 0.764 5.235 4.470 0.001 0.000 0.270 40 S C 0.306 174.966 174.600 0.100 0.000 1.209 40 S CA 0.039 58.299 58.200 0.100 0.000 0.988 40 S CB 1.516 64.759 63.200 0.071 0.000 1.006 40 S HN 1.319 nan 8.310 nan 0.000 0.558 41 A N 1.454 124.329 122.820 0.090 0.000 2.520 41 A HA 0.248 4.569 4.320 0.001 0.000 0.235 41 A C 0.486 178.133 177.584 0.105 0.000 1.065 41 A CA 0.022 52.128 52.037 0.114 0.000 0.764 41 A CB -0.429 18.640 19.000 0.115 0.000 1.002 41 A HN 0.787 nan 8.150 nan 0.000 0.502 42 M N 1.546 121.219 119.600 0.122 0.000 2.246 42 M HA -0.013 4.468 4.480 0.001 0.000 0.327 42 M C 1.133 177.474 176.300 0.069 0.000 1.090 42 M CA 0.427 55.767 55.300 0.068 0.000 1.087 42 M CB 0.065 32.651 32.600 -0.023 0.000 1.587 42 M HN 0.807 nan 8.290 nan 0.000 0.444 43 S N 1.842 117.580 115.700 0.064 0.000 2.593 43 S HA -0.087 4.384 4.470 0.001 0.000 0.300 43 S C 0.760 175.410 174.600 0.083 0.000 1.267 43 S CA 0.415 58.657 58.200 0.070 0.000 1.065 43 S CB 0.081 63.324 63.200 0.071 0.000 0.807 43 S HN 0.800 nan 8.310 nan 0.000 0.499 44 E N 0.440 120.693 120.200 0.088 0.000 3.975 44 E HA -0.207 4.144 4.350 0.001 0.000 0.342 44 E C 1.017 177.724 176.600 0.177 0.000 0.677 44 E CA 1.297 57.767 56.400 0.118 0.000 1.238 44 E CB -2.242 27.535 29.700 0.128 0.000 1.665 44 E HN 0.746 nan 8.360 nan 0.000 0.429 45 V N -0.306 119.715 119.914 0.179 0.000 2.453 45 V HA -0.141 3.980 4.120 0.001 0.000 0.247 45 V C 2.028 178.265 176.094 0.239 0.000 1.048 45 V CA 2.574 65.023 62.300 0.248 0.000 1.049 45 V CB -0.496 31.464 31.823 0.228 0.000 0.672 45 V HN 0.254 nan 8.190 nan 0.000 0.457 46 T N 1.469 116.115 114.554 0.153 0.000 2.708 46 T HA -0.149 4.202 4.350 0.001 0.000 0.266 46 T C 1.831 176.603 174.700 0.121 0.000 1.037 46 T CA 1.974 64.148 62.100 0.124 0.000 1.146 46 T CB -0.576 68.288 68.868 -0.007 0.000 0.865 46 T HN 0.559 nan 8.240 nan 0.000 0.435 47 N N 1.647 120.405 118.700 0.098 0.000 2.094 47 N HA -0.075 4.666 4.740 0.001 0.000 0.191 47 N C 2.065 177.641 175.510 0.111 0.000 1.023 47 N CA 1.514 54.616 53.050 0.087 0.000 0.857 47 N CB -0.639 37.889 38.487 0.068 0.000 1.013 47 N HN 0.465 nan 8.380 nan 0.000 0.426 48 A N 0.779 123.715 122.820 0.193 0.000 1.930 48 A HA 0.007 4.328 4.320 0.001 0.000 0.217 48 A C 2.406 180.098 177.584 0.179 0.000 1.175 48 A CA 0.710 52.904 52.037 0.261 0.000 0.627 48 A CB -0.615 18.703 19.000 0.529 0.000 0.815 48 A HN 0.213 nan 8.150 nan 0.000 0.443 49 L N -0.552 120.802 121.223 0.219 0.000 2.046 49 L HA -0.166 4.175 4.340 0.001 0.000 0.208 49 L C 2.520 179.380 176.870 -0.016 0.000 1.077 49 L CA 1.025 55.914 54.840 0.082 0.000 0.747 49 L CB -0.477 41.708 42.059 0.211 0.000 0.896 49 L HN 0.248 nan 8.230 nan 0.000 0.432 50 V N 0.630 120.570 119.914 0.043 0.000 2.343 50 V HA -0.288 3.832 4.120 0.001 0.000 0.247 50 V C 2.486 178.566 176.094 -0.022 0.000 1.051 50 V CA 2.252 64.570 62.300 0.029 0.000 1.036 50 V CB -0.664 31.194 31.823 0.058 0.000 0.654 50 V HN 0.662 nan 8.190 nan 0.000 0.451 51 E N 0.079 120.257 120.200 -0.037 0.000 2.112 51 E HA -0.196 4.155 4.350 0.001 0.000 0.190 51 E C 2.147 178.675 176.600 -0.120 0.000 0.979 51 E CA 1.288 57.654 56.400 -0.057 0.000 0.814 51 E CB -0.426 29.253 29.700 -0.034 0.000 0.762 51 E HN 0.460 nan 8.360 nan 0.000 0.460 52 I N 1.754 122.180 120.570 -0.239 0.000 2.394 52 I HA -0.185 3.986 4.170 0.001 0.000 0.251 52 I C 1.904 177.873 176.117 -0.247 0.000 1.136 52 I CA 1.042 62.128 61.300 -0.357 0.000 1.425 52 I CB -0.132 37.329 38.000 -0.897 0.000 1.079 52 I HN 0.032 nan 8.210 nan 0.000 0.425 53 S N -0.122 115.466 115.700 -0.187 0.000 2.368 53 S HA -0.249 4.222 4.470 0.001 0.000 0.225 53 S C 1.898 176.458 174.600 -0.067 0.000 1.030 53 S CA 1.477 59.615 58.200 -0.104 0.000 0.999 53 S CB -0.361 62.808 63.200 -0.051 0.000 0.844 53 S HN 0.507 nan 8.310 nan 0.000 0.459 54 Q N 1.312 121.077 119.800 -0.057 0.000 2.123 54 Q HA 0.011 4.352 4.340 0.001 0.000 0.199 54 Q C 2.089 178.066 176.000 -0.038 0.000 0.966 54 Q CA 1.411 57.193 55.803 -0.035 0.000 0.845 54 Q CB -0.310 28.413 28.738 -0.024 0.000 0.907 54 Q HN 0.562 nan 8.270 nan 0.000 0.439 55 Q N -0.720 119.047 119.800 -0.055 0.000 2.050 55 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 55 Q C 1.993 177.969 176.000 -0.040 0.000 0.980 55 Q CA 1.623 57.397 55.803 -0.048 0.000 0.840 55 Q CB -0.291 28.410 28.738 -0.062 0.000 0.898 55 Q HN 0.490 nan 8.270 nan 0.000 0.424 56 A N 0.496 123.282 122.820 -0.057 0.000 1.930 56 A HA -0.162 4.159 4.320 0.001 0.000 0.217 56 A C 1.994 179.569 177.584 -0.016 0.000 1.175 56 A CA 1.117 53.132 52.037 -0.037 0.000 0.627 56 A CB -0.540 18.425 19.000 -0.059 0.000 0.815 56 A HN 0.362 nan 8.150 nan 0.000 0.443 57 L N -0.076 121.135 121.223 -0.021 0.000 1.988 57 L HA -0.108 4.233 4.340 0.001 0.000 0.207 57 L C 1.685 178.552 176.870 -0.005 0.000 1.071 57 L CA 2.584 57.418 54.840 -0.009 0.000 0.744 57 L CB -0.643 41.409 42.059 -0.012 0.000 0.893 57 L HN 0.322 nan 8.230 nan 0.000 0.433 58 D N -0.631 119.764 120.400 -0.009 0.000 2.107 58 D HA -0.099 4.542 4.640 0.001 0.000 0.204 58 D C 2.156 178.454 176.300 -0.004 0.000 0.978 58 D CA 2.111 56.108 54.000 -0.006 0.000 0.852 58 D CB -0.416 40.380 40.800 -0.008 0.000 1.008 58 D HN 0.404 nan 8.370 nan 0.000 0.458 59 V N -1.189 118.722 119.914 -0.005 0.000 3.052 59 V HA 0.166 4.287 4.120 0.001 0.000 0.254 59 V C 0.598 176.694 176.094 0.005 0.000 1.100 59 V CA 0.473 62.772 62.300 -0.002 0.000 1.112 59 V CB -0.393 31.427 31.823 -0.004 0.000 0.738 59 V HN 0.202 nan 8.190 nan 0.000 0.469 60 R N 0.493 120.998 120.500 0.008 0.000 3.776 60 R HA -0.166 4.175 4.340 0.001 0.000 0.312 60 R C -0.211 176.110 176.300 0.035 0.000 1.181 60 R CA 1.040 57.156 56.100 0.025 0.000 0.836 60 R CB -2.469 27.849 30.300 0.029 0.000 1.324 60 R HN 0.712 nan 8.270 nan 0.000 0.501 61 D N 0.156 120.570 120.400 0.023 0.000 2.347 61 D HA 0.209 4.850 4.640 0.001 0.000 0.235 61 D C 0.876 177.198 176.300 0.036 0.000 1.149 61 D CA -0.394 53.622 54.000 0.027 0.000 0.850 61 D CB 0.725 41.534 40.800 0.016 0.000 1.061 61 D HN 0.065 nan 8.370 nan 0.000 0.487 62 I N 3.367 123.969 120.570 0.054 0.000 2.676 62 I HA -0.071 4.099 4.170 0.001 0.000 0.259 62 I C 2.227 178.372 176.117 0.047 0.000 1.194 62 I CA 0.711 62.047 61.300 0.059 0.000 1.473 62 I CB -0.029 38.030 38.000 0.097 0.000 1.096 62 I HN 0.559 nan 8.210 nan 0.000 0.443 63 A N 0.389 123.233 122.820 0.041 0.000 1.929 63 A HA -0.229 4.091 4.320 0.001 0.000 0.216 63 A C 2.341 179.950 177.584 0.042 0.000 1.176 63 A CA 1.778 53.838 52.037 0.037 0.000 0.628 63 A CB -0.483 18.534 19.000 0.029 0.000 0.816 63 A HN 0.399 nan 8.150 nan 0.000 0.444 64 K N -0.155 120.268 120.400 0.037 0.000 2.026 64 K HA -0.092 4.229 4.320 0.001 0.000 0.208 64 K C 1.653 178.294 176.600 0.069 0.000 1.048 64 K CA 1.764 58.075 56.287 0.040 0.000 0.929 64 K CB -0.416 32.094 32.500 0.018 0.000 0.713 64 K HN 0.129 nan 8.250 nan 0.000 0.439 65 V N 1.176 121.124 119.914 0.056 0.000 2.332 65 V HA -0.198 3.923 4.120 0.001 0.000 0.248 65 V C 2.465 178.642 176.094 0.138 0.000 1.055 65 V CA 2.181 64.531 62.300 0.083 0.000 1.038 65 V CB -1.034 30.808 31.823 0.031 0.000 0.651 65 V HN 0.697 nan 8.190 nan 0.000 0.450 66 G N -0.510 108.341 108.800 0.084 0.000 2.442 66 G HA2 -0.260 3.700 3.960 0.001 0.000 0.219 66 G HA3 -0.260 3.700 3.960 0.001 0.000 0.219 66 G C 1.234 176.180 174.900 0.076 0.000 1.141 66 G CA 1.056 46.196 45.100 0.067 0.000 0.763 66 G HN 0.507 nan 8.290 nan 0.000 0.554 67 D N -0.050 120.404 120.400 0.091 0.000 2.117 67 D HA -0.100 4.541 4.640 0.001 0.000 0.197 67 D C 1.948 178.338 176.300 0.150 0.000 0.987 67 D CA 0.496 54.551 54.000 0.092 0.000 0.829 67 D CB -0.426 40.417 40.800 0.072 0.000 0.961 67 D HN 0.303 nan 8.370 nan 0.000 0.460 68 F N 1.569 121.552 119.950 0.055 0.000 2.095 68 F HA -0.212 4.315 4.527 0.001 0.000 0.298 68 F C 2.046 177.936 175.800 0.150 0.000 1.104 68 F CA 1.112 59.187 58.000 0.124 0.000 1.232 68 F CB -0.149 38.894 39.000 0.072 0.000 0.987 68 F HN -0.161 nan 8.300 nan 0.000 0.475 69 I N 0.962 121.549 120.570 0.029 0.000 2.163 69 I HA -0.317 3.853 4.170 0.001 0.000 0.243 69 I C 2.311 178.311 176.117 -0.196 0.000 1.085 69 I CA 1.586 62.805 61.300 -0.135 0.000 1.347 69 I CB -1.432 36.557 38.000 -0.020 0.000 1.044 69 I HN 0.252 nan 8.210 nan 0.000 0.408 70 K N 0.070 120.417 120.400 -0.089 0.000 2.009 70 K HA -0.243 4.078 4.320 0.001 0.000 0.210 70 K C 2.190 178.723 176.600 -0.110 0.000 1.049 70 K CA 1.807 58.039 56.287 -0.092 0.000 0.929 70 K CB -0.592 31.896 32.500 -0.021 0.000 0.714 70 K HN 0.218 nan 8.250 nan 0.000 0.440 71 F N 2.199 122.031 119.950 -0.196 0.000 2.091 71 F HA -0.264 4.263 4.527 0.001 0.000 0.299 71 F C 1.919 177.570 175.800 -0.248 0.000 1.103 71 F CA 1.416 59.298 58.000 -0.196 0.000 1.228 71 F CB -0.247 38.653 39.000 -0.167 0.000 0.984 71 F HN -0.086 nan 8.300 nan 0.000 0.477 72 I N 0.668 120.796 120.570 -0.738 0.000 2.226 72 I HA -0.259 3.912 4.170 0.001 0.000 0.245 72 I C 2.658 178.554 176.117 -0.368 0.000 1.100 72 I CA 1.558 62.441 61.300 -0.696 0.000 1.374 72 I CB -1.157 36.441 38.000 -0.670 0.000 1.057 72 I HN 0.293 nan 8.210 nan 0.000 0.413 73 R N 1.081 121.335 120.500 -0.411 0.000 2.062 73 R HA -0.190 4.151 4.340 0.001 0.000 0.231 73 R C 2.153 178.093 176.300 -0.600 0.000 1.136 73 R CA 1.672 57.443 56.100 -0.549 0.000 0.948 73 R CB -0.090 29.860 30.300 -0.584 0.000 0.845 73 R HN 0.344 nan 8.270 nan 0.000 0.430 74 E N 0.249 120.207 120.200 -0.405 0.000 2.118 74 E HA -0.232 4.118 4.350 0.001 0.000 0.195 74 E C 1.992 178.479 176.600 -0.189 0.000 0.992 74 E CA 1.445 57.707 56.400 -0.230 0.000 0.804 74 E CB -0.002 29.623 29.700 -0.125 0.000 0.741 74 E HN 0.271 nan 8.360 nan 0.000 0.458 75 K N 0.082 120.286 120.400 -0.327 0.000 2.057 75 K HA -0.180 4.140 4.320 0.001 0.000 0.206 75 K C 1.665 178.052 176.600 -0.354 0.000 1.050 75 K CA 1.528 57.583 56.287 -0.386 0.000 0.935 75 K CB -0.017 32.081 32.500 -0.670 0.000 0.715 75 K HN 0.218 nan 8.250 nan 0.000 0.439 76 H N -1.483 117.478 119.070 -0.183 0.000 2.448 76 H HA -0.023 4.534 4.556 0.001 0.000 0.292 76 H C 1.580 176.968 175.328 0.099 0.000 1.035 76 H CA 1.271 57.283 56.048 -0.059 0.000 1.349 76 H CB 0.040 29.756 29.762 -0.076 0.000 1.425 76 H HN 0.167 nan 8.280 nan 0.000 0.539 77 Y N 1.330 121.633 120.300 0.005 0.000 2.114 77 Y HA -0.184 4.367 4.550 0.001 0.000 0.284 77 Y C 2.466 178.346 175.900 -0.033 0.000 1.143 77 Y CA 1.050 59.141 58.100 -0.015 0.000 1.135 77 Y CB -0.547 37.898 38.460 -0.025 0.000 0.980 77 Y HN 0.113 nan 8.280 nan 0.000 0.499 78 K N -0.108 120.362 120.400 0.118 0.000 2.063 78 K HA -0.197 4.124 4.320 0.001 0.000 0.208 78 K C 2.258 178.862 176.600 0.006 0.000 1.048 78 K CA 1.209 57.516 56.287 0.034 0.000 0.928 78 K CB -0.215 32.280 32.500 -0.008 0.000 0.713 78 K HN 0.249 nan 8.250 nan 0.000 0.442 79 A N 1.311 124.122 122.820 -0.014 0.000 1.883 79 A HA -0.175 4.146 4.320 0.001 0.000 0.217 79 A C 2.068 179.654 177.584 0.003 0.000 1.186 79 A CA 1.501 53.524 52.037 -0.023 0.000 0.624 79 A CB -0.563 18.404 19.000 -0.055 0.000 0.822 79 A HN 0.296 nan 8.150 nan 0.000 0.444 80 I N -0.941 119.647 120.570 0.030 0.000 2.179 80 I HA -0.249 3.922 4.170 0.001 0.000 0.242 80 I C 2.583 178.695 176.117 -0.009 0.000 1.088 80 I CA 1.863 63.171 61.300 0.015 0.000 1.357 80 I CB -0.300 37.712 38.000 0.019 0.000 1.051 80 I HN 0.330 nan 8.210 nan 0.000 0.409 81 E N 1.099 121.293 120.200 -0.009 0.000 2.110 81 E HA -0.209 4.141 4.350 0.001 0.000 0.193 81 E C 1.800 178.391 176.600 -0.015 0.000 0.988 81 E CA 1.347 57.736 56.400 -0.019 0.000 0.804 81 E CB 0.015 29.706 29.700 -0.015 0.000 0.745 81 E HN 0.441 nan 8.360 nan 0.000 0.458 82 E N -1.379 118.814 120.200 -0.010 0.000 2.489 82 E HA 0.129 4.479 4.350 0.001 0.000 0.193 82 E C 1.165 177.756 176.600 -0.014 0.000 1.057 82 E CA 0.429 56.823 56.400 -0.011 0.000 0.866 82 E CB 0.509 30.204 29.700 -0.008 0.000 0.916 82 E HN 0.270 nan 8.360 nan 0.000 0.500 83 A N 0.432 123.242 122.820 -0.018 0.000 2.108 83 A HA 0.251 4.571 4.320 0.001 0.000 0.206 83 A C 0.807 178.373 177.584 -0.030 0.000 1.212 83 A CA 0.101 52.123 52.037 -0.025 0.000 0.843 83 A CB 0.537 19.520 19.000 -0.028 0.000 0.902 83 A HN 0.046 nan 8.150 nan 0.000 0.477 84 I N -0.354 120.200 120.570 -0.027 0.000 2.498 84 I HA 0.269 4.439 4.170 0.001 0.000 0.290 84 I C 0.548 176.649 176.117 -0.027 0.000 1.032 84 I CA -0.537 60.745 61.300 -0.029 0.000 1.073 84 I CB 2.318 40.300 38.000 -0.029 0.000 1.251 84 I HN 0.035 nan 8.210 nan 0.000 0.426 85 K N 1.881 122.265 120.400 -0.026 0.000 2.128 85 K HA 0.058 4.379 4.320 0.001 0.000 0.202 85 K C 1.008 177.593 176.600 -0.024 0.000 1.050 85 K CA 0.469 56.742 56.287 -0.024 0.000 0.966 85 K CB 0.169 32.656 32.500 -0.021 0.000 0.759 85 K HN 0.584 nan 8.250 nan 0.000 0.454 86 S N 1.704 117.389 115.700 -0.025 0.000 2.525 86 S HA -0.030 4.441 4.470 0.001 0.000 0.285 86 S C 1.046 175.629 174.600 -0.028 0.000 1.283 86 S CA -0.365 57.820 58.200 -0.025 0.000 1.072 86 S CB 0.625 63.810 63.200 -0.024 0.000 0.867 86 S HN 0.083 nan 8.310 nan 0.000 0.492 87 E N 3.759 123.942 120.200 -0.028 0.000 2.077 87 E HA -0.160 4.190 4.350 0.001 0.000 0.193 87 E C 1.804 178.384 176.600 -0.033 0.000 0.989 87 E CA 1.341 57.722 56.400 -0.032 0.000 0.800 87 E CB -0.348 29.335 29.700 -0.029 0.000 0.746 87 E HN 0.955 nan 8.360 nan 0.000 0.452 88 E N 0.492 120.676 120.200 -0.027 0.000 2.077 88 E HA -0.166 4.185 4.350 0.001 0.000 0.193 88 E C 2.188 178.773 176.600 -0.026 0.000 0.989 88 E CA 0.959 57.344 56.400 -0.025 0.000 0.800 88 E CB -0.068 29.620 29.700 -0.020 0.000 0.746 88 E HN 0.205 nan 8.360 nan 0.000 0.452 89 I N 0.440 120.994 120.570 -0.026 0.000 2.286 89 I HA -0.218 3.953 4.170 0.001 0.000 0.245 89 I C 2.480 178.580 176.117 -0.029 0.000 1.104 89 I CA 0.968 62.253 61.300 -0.025 0.000 1.397 89 I CB -0.185 37.800 38.000 -0.025 0.000 1.072 89 I HN 0.012 nan 8.210 nan 0.000 0.417 90 K N 0.705 121.084 120.400 -0.035 0.000 2.063 90 K HA -0.260 4.060 4.320 0.001 0.000 0.208 90 K C 2.076 178.641 176.600 -0.057 0.000 1.048 90 K CA 1.695 57.955 56.287 -0.045 0.000 0.928 90 K CB -0.145 32.323 32.500 -0.053 0.000 0.713 90 K HN 0.286 nan 8.250 nan 0.000 0.442 91 E N 0.875 121.043 120.200 -0.053 0.000 2.077 91 E HA -0.232 4.119 4.350 0.001 0.000 0.193 91 E C 1.951 178.526 176.600 -0.040 0.000 0.989 91 E CA 1.480 57.847 56.400 -0.055 0.000 0.800 91 E CB 0.119 29.792 29.700 -0.045 0.000 0.746 91 E HN 0.422 nan 8.360 nan 0.000 0.452 92 E N -0.096 120.087 120.200 -0.028 0.000 2.152 92 E HA -0.116 4.235 4.350 0.001 0.000 0.192 92 E C 2.075 178.668 176.600 -0.011 0.000 0.983 92 E CA 1.066 57.455 56.400 -0.017 0.000 0.818 92 E CB -0.001 29.691 29.700 -0.014 0.000 0.758 92 E HN 0.146 nan 8.360 nan 0.000 0.467 93 V N 1.853 121.759 119.914 -0.014 0.000 2.379 93 V HA -0.218 3.902 4.120 0.001 0.000 0.245 93 V C 2.600 178.698 176.094 0.006 0.000 1.044 93 V CA 2.018 64.317 62.300 -0.002 0.000 1.036 93 V CB -0.615 31.206 31.823 -0.002 0.000 0.664 93 V HN 0.261 nan 8.190 nan 0.000 0.453 94 K N 0.245 120.633 120.400 -0.021 0.000 2.063 94 K HA -0.240 4.081 4.320 0.001 0.000 0.208 94 K C 2.255 178.862 176.600 0.013 0.000 1.048 94 K CA 1.628 57.895 56.287 -0.032 0.000 0.928 94 K CB -0.117 32.286 32.500 -0.162 0.000 0.713 94 K HN 0.397 nan 8.250 nan 0.000 0.442 95 K N 0.299 120.699 120.400 -0.001 0.000 2.063 95 K HA -0.141 4.179 4.320 0.001 0.000 0.208 95 K C 2.117 178.735 176.600 0.031 0.000 1.048 95 K CA 1.642 57.937 56.287 0.014 0.000 0.928 95 K CB -0.157 32.345 32.500 0.003 0.000 0.713 95 K HN 0.201 nan 8.250 nan 0.000 0.442 96 I N 0.380 120.967 120.570 0.028 0.000 2.286 96 I HA -0.245 3.925 4.170 0.001 0.000 0.245 96 I C 2.079 178.223 176.117 0.045 0.000 1.104 96 I CA 0.780 62.099 61.300 0.033 0.000 1.397 96 I CB -0.135 37.879 38.000 0.022 0.000 1.072 96 I HN 0.027 nan 8.210 nan 0.000 0.417 97 I N 0.877 121.479 120.570 0.053 0.000 2.226 97 I HA -0.291 3.879 4.170 0.001 0.000 0.245 97 I C 2.021 178.175 176.117 0.062 0.000 1.100 97 I CA 1.673 63.005 61.300 0.054 0.000 1.374 97 I CB -0.555 37.505 38.000 0.102 0.000 1.057 97 I HN 0.165 nan 8.210 nan 0.000 0.413 98 D N -0.166 120.295 120.400 0.101 0.000 2.104 98 D HA -0.155 4.486 4.640 0.001 0.000 0.194 98 D C 2.452 178.783 176.300 0.051 0.000 0.994 98 D CA 1.451 55.505 54.000 0.089 0.000 0.830 98 D CB -0.263 40.599 40.800 0.102 0.000 0.959 98 D HN 0.183 nan 8.370 nan 0.000 0.452 99 S N 0.129 115.863 115.700 0.057 0.000 2.359 99 S HA -0.139 4.332 4.470 0.001 0.000 0.224 99 S C 1.909 176.563 174.600 0.091 0.000 1.035 99 S CA 0.922 59.160 58.200 0.064 0.000 1.018 99 S CB 0.063 63.301 63.200 0.063 0.000 0.876 99 S HN 0.169 nan 8.310 nan 0.000 0.448 100 R N 0.972 121.539 120.500 0.110 0.000 2.075 100 R HA 0.120 4.461 4.340 0.001 0.000 0.232 100 R C 2.172 178.499 176.300 0.045 0.000 1.126 100 R CA 0.939 57.174 56.100 0.224 0.000 0.963 100 R CB -1.194 29.250 30.300 0.241 0.000 0.858 100 R HN 0.448 nan 8.270 nan 0.000 0.435 101 I N 1.105 121.646 120.570 -0.047 0.000 2.226 101 I HA -0.265 3.905 4.170 0.001 0.000 0.245 101 I C 2.223 178.258 176.117 -0.136 0.000 1.100 101 I CA 1.366 62.577 61.300 -0.148 0.000 1.374 101 I CB -0.236 37.682 38.000 -0.137 0.000 1.057 101 I HN 0.247 nan 8.210 nan 0.000 0.413 102 E N 0.598 120.764 120.200 -0.057 0.000 2.038 102 E HA -0.283 4.068 4.350 0.001 0.000 0.195 102 E C 2.080 178.654 176.600 -0.043 0.000 1.000 102 E CA 1.657 58.036 56.400 -0.036 0.000 0.803 102 E CB -0.165 29.538 29.700 0.005 0.000 0.750 102 E HN 0.536 nan 8.360 nan 0.000 0.448 103 E N 0.903 121.104 120.200 0.002 0.000 2.097 103 E HA -0.208 4.143 4.350 0.001 0.000 0.196 103 E C 2.251 178.768 176.600 -0.139 0.000 1.000 103 E CA 0.792 57.236 56.400 0.072 0.000 0.804 103 E CB -0.164 29.729 29.700 0.321 0.000 0.740 103 E HN 0.217 nan 8.360 nan 0.000 0.454 104 L N 0.959 121.827 121.223 -0.593 0.000 2.012 104 L HA -0.251 4.089 4.340 0.001 0.000 0.210 104 L C 2.610 179.297 176.870 -0.305 0.000 1.073 104 L CA 1.526 55.856 54.840 -0.850 0.000 0.748 104 L CB -0.184 41.335 42.059 -0.899 0.000 0.891 104 L HN 0.230 nan 8.230 nan 0.000 0.431 105 E N -0.148 119.940 120.200 -0.187 0.000 2.051 105 E HA -0.263 4.087 4.350 0.001 0.000 0.192 105 E C 2.180 178.728 176.600 -0.085 0.000 0.991 105 E CA 1.285 57.631 56.400 -0.091 0.000 0.799 105 E CB 0.105 29.765 29.700 -0.067 0.000 0.748 105 E HN 0.401 nan 8.360 nan 0.000 0.449 106 K N 0.038 120.392 120.400 -0.076 0.000 2.032 106 K HA -0.163 4.158 4.320 0.001 0.000 0.209 106 K C 2.191 178.745 176.600 -0.077 0.000 1.048 106 K CA 1.598 57.838 56.287 -0.077 0.000 0.927 106 K CB -0.161 32.317 32.500 -0.036 0.000 0.712 106 K HN 0.074 nan 8.250 nan 0.000 0.441 107 V N 1.936 121.840 119.914 -0.017 0.000 2.343 107 V HA -0.236 3.885 4.120 0.001 0.000 0.247 107 V C 2.278 178.358 176.094 -0.023 0.000 1.051 107 V CA 1.579 63.895 62.300 0.027 0.000 1.036 107 V CB -0.438 31.499 31.823 0.191 0.000 0.654 107 V HN 0.284 nan 8.190 nan 0.000 0.451 108 L N -0.790 120.403 121.223 -0.050 0.000 2.131 108 L HA -0.170 4.171 4.340 0.001 0.000 0.210 108 L C 2.325 179.149 176.870 -0.076 0.000 1.092 108 L CA 1.554 56.356 54.840 -0.063 0.000 0.759 108 L CB -0.408 41.608 42.059 -0.072 0.000 0.903 108 L HN 0.294 nan 8.230 nan 0.000 0.435 109 I N -0.576 119.920 120.570 -0.123 0.000 2.286 109 I HA -0.169 4.001 4.170 0.001 0.000 0.245 109 I C 2.654 178.588 176.117 -0.306 0.000 1.104 109 I CA 1.235 62.401 61.300 -0.224 0.000 1.397 109 I CB -0.855 36.951 38.000 -0.324 0.000 1.072 109 I HN 0.249 nan 8.210 nan 0.000 0.417 110 G N 0.854 109.503 108.800 -0.250 0.000 2.476 110 G HA2 -0.239 3.721 3.960 0.001 0.000 0.218 110 G HA3 -0.239 3.721 3.960 0.001 0.000 0.218 110 G C 1.718 176.603 174.900 -0.024 0.000 1.164 110 G CA 1.144 46.160 45.100 -0.140 0.000 0.768 110 G HN 0.243 nan 8.290 nan 0.000 0.560 111 V N 1.459 121.357 119.914 -0.026 0.000 2.332 111 V HA -0.184 3.936 4.120 0.001 0.000 0.248 111 V C 3.305 179.418 176.094 0.032 0.000 1.055 111 V CA 2.238 64.537 62.300 -0.001 0.000 1.038 111 V CB -0.858 30.956 31.823 -0.015 0.000 0.651 111 V HN 0.517 nan 8.190 nan 0.000 0.450 112 A N -1.545 121.304 122.820 0.048 0.000 1.929 112 A HA -0.158 4.163 4.320 0.001 0.000 0.216 112 A C 2.103 179.810 177.584 0.206 0.000 1.176 112 A CA 1.349 53.447 52.037 0.101 0.000 0.628 112 A CB -0.635 18.425 19.000 0.100 0.000 0.816 112 A HN 0.513 nan 8.150 nan 0.000 0.444 113 Y N -0.651 119.641 120.300 -0.012 0.000 2.181 113 Y HA -0.108 4.442 4.550 0.000 0.000 0.288 113 Y C 2.091 177.983 175.900 -0.013 0.000 1.146 113 Y CA 1.045 59.139 58.100 -0.011 0.000 1.164 113 Y CB -0.483 37.971 38.460 -0.010 0.000 0.982 113 Y HN 0.198 nan 8.280 nan 0.000 0.515 114 L N -1.145 120.173 121.223 0.158 0.000 2.375 114 L HA 0.202 4.543 4.340 0.001 0.000 0.215 114 L C 1.641 178.534 176.870 0.039 0.000 1.108 114 L CA 1.168 56.051 54.840 0.073 0.000 0.830 114 L CB -1.106 40.983 42.059 0.049 0.000 0.959 114 L HN 0.315 nan 8.230 nan 0.000 0.457 115 G N 0.680 109.504 108.800 0.041 0.000 2.314 115 G HA2 -0.307 3.653 3.960 0.001 0.000 0.292 115 G HA3 -0.307 3.653 3.960 0.001 0.000 0.292 115 G C 0.237 175.142 174.900 0.009 0.000 1.059 115 G CA 0.608 45.720 45.100 0.020 0.000 0.982 115 G HN 0.391 nan 8.290 nan 0.000 0.505 116 E N -0.964 119.240 120.200 0.006 0.000 2.290 116 E HA 0.602 4.952 4.350 0.001 0.000 0.274 116 E C -1.317 175.275 176.600 -0.014 0.000 0.889 116 E CA -1.083 55.313 56.400 -0.006 0.000 0.760 116 E CB 1.289 30.983 29.700 -0.009 0.000 1.206 116 E HN 0.421 nan 8.360 nan 0.000 0.419 117 L N 4.677 125.889 121.223 -0.019 0.000 2.529 117 L HA 0.298 4.639 4.340 0.001 0.000 0.258 117 L C -0.475 176.375 176.870 -0.033 0.000 1.032 117 L CA -0.191 54.635 54.840 -0.024 0.000 0.899 117 L CB 1.272 43.322 42.059 -0.014 0.000 1.174 117 L HN 0.609 nan 8.230 nan 0.000 0.458 118 T N 1.370 115.888 114.554 -0.060 0.000 2.860 118 T HA 0.331 4.682 4.350 0.001 0.000 0.299 118 T C -1.741 172.906 174.700 -0.089 0.000 1.045 118 T CA -1.104 60.949 62.100 -0.079 0.000 1.071 118 T CB 0.674 69.464 68.868 -0.130 0.000 0.985 118 T HN 0.385 nan 8.240 nan 0.000 0.537 119 P HA -0.121 nan 4.420 nan 0.000 0.216 119 P C 1.551 178.738 177.300 -0.188 0.000 1.150 119 P CA 1.188 64.276 63.100 -0.021 0.000 0.843 119 P CB 0.057 31.820 31.700 0.105 0.000 0.787 120 K N -0.297 119.760 120.400 -0.571 0.000 2.009 120 K HA -0.117 4.204 4.320 0.001 0.000 0.210 120 K C 2.041 178.363 176.600 -0.463 0.000 1.049 120 K CA 1.983 57.599 56.287 -1.119 0.000 0.929 120 K CB -0.388 31.374 32.500 -1.229 0.000 0.714 120 K HN 0.026 nan 8.250 nan 0.000 0.440 121 S N 0.558 116.096 115.700 -0.269 0.000 2.402 121 S HA -0.094 4.377 4.470 0.001 0.000 0.229 121 S C 1.849 176.468 174.600 0.032 0.000 1.021 121 S CA 0.879 59.032 58.200 -0.077 0.000 0.974 121 S CB -0.200 62.958 63.200 -0.070 0.000 0.800 121 S HN 0.340 nan 8.310 nan 0.000 0.484 122 R N 1.157 121.652 120.500 -0.010 0.000 2.075 122 R HA -0.112 4.229 4.340 0.001 0.000 0.232 122 R C 1.480 177.825 176.300 0.074 0.000 1.126 122 R CA 1.584 57.708 56.100 0.040 0.000 0.963 122 R CB -0.263 30.056 30.300 0.032 0.000 0.858 122 R HN 0.226 nan 8.270 nan 0.000 0.435 123 D N -0.560 119.874 120.400 0.056 0.000 2.117 123 D HA -0.194 4.447 4.640 0.001 0.000 0.197 123 D C 1.543 177.897 176.300 0.090 0.000 0.987 123 D CA 1.076 55.120 54.000 0.072 0.000 0.829 123 D CB -0.338 40.551 40.800 0.147 0.000 0.961 123 D HN 0.237 nan 8.370 nan 0.000 0.460 124 Y N 1.284 121.575 120.300 -0.015 0.000 2.097 124 Y HA -0.183 4.368 4.550 0.002 0.000 0.282 124 Y C 2.191 178.179 175.900 0.148 0.000 1.152 124 Y CA 1.370 59.477 58.100 0.012 0.000 1.136 124 Y CB -0.493 37.969 38.460 0.003 0.000 0.975 124 Y HN -0.071 nan 8.280 nan 0.000 0.498 125 I N -0.186 120.509 120.570 0.208 0.000 2.151 125 I HA -0.383 3.788 4.170 0.001 0.000 0.243 125 I C 2.437 178.703 176.117 0.250 0.000 1.080 125 I CA 1.558 63.006 61.300 0.247 0.000 1.339 125 I CB -0.605 37.481 38.000 0.144 0.000 1.039 125 I HN 0.271 nan 8.210 nan 0.000 0.409 126 L N 0.523 121.850 121.223 0.174 0.000 2.079 126 L HA -0.209 4.132 4.340 0.001 0.000 0.210 126 L C 2.820 179.823 176.870 0.222 0.000 1.081 126 L CA 1.795 56.774 54.840 0.232 0.000 0.752 126 L CB -0.841 41.378 42.059 0.267 0.000 0.896 126 L HN 0.436 nan 8.230 nan 0.000 0.433 127 S N -0.273 115.445 115.700 0.030 0.000 2.440 127 S HA -0.201 4.270 4.470 0.001 0.000 0.238 127 S C 1.788 176.310 174.600 -0.130 0.000 1.010 127 S CA 0.954 59.100 58.200 -0.090 0.000 0.972 127 S CB -0.749 62.295 63.200 -0.261 0.000 0.774 127 S HN 0.302 nan 8.310 nan 0.000 0.501 128 F N 2.748 122.660 119.950 -0.063 0.000 2.216 128 F HA 0.128 4.656 4.527 0.000 0.000 0.300 128 F C 2.739 178.527 175.800 -0.020 0.000 1.085 128 F CA 0.701 58.654 58.000 -0.078 0.000 1.326 128 F CB -1.122 37.819 39.000 -0.099 0.000 1.027 128 F HN 0.362 nan 8.300 nan 0.000 0.497 129 G N -0.182 108.749 108.800 0.219 0.000 2.514 129 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 129 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 129 G C 1.510 176.490 174.900 0.134 0.000 1.198 129 G CA 1.161 46.370 45.100 0.181 0.000 0.780 129 G HN 0.258 nan 8.290 nan 0.000 0.565 130 E N 0.092 120.372 120.200 0.134 0.000 2.150 130 E HA 0.025 4.375 4.350 0.001 0.000 0.193 130 E C 2.673 179.301 176.600 0.046 0.000 0.985 130 E CA 0.534 56.995 56.400 0.103 0.000 0.814 130 E CB -0.079 29.701 29.700 0.133 0.000 0.752 130 E HN 0.400 nan 8.360 nan 0.000 0.466 131 R N -0.411 120.088 120.500 -0.002 0.000 2.276 131 R HA 0.113 4.454 4.340 0.001 0.000 0.203 131 R C 1.737 178.026 176.300 -0.020 0.000 1.017 131 R CA 0.401 56.473 56.100 -0.047 0.000 1.010 131 R CB 0.070 30.266 30.300 -0.173 0.000 0.900 131 R HN 0.166 nan 8.270 nan 0.000 0.469 132 L N -0.265 120.944 121.223 -0.022 0.000 2.354 132 L HA 0.001 4.341 4.340 0.001 0.000 0.212 132 L C 2.269 179.132 176.870 -0.011 0.000 1.091 132 L CA 0.790 55.558 54.840 -0.121 0.000 0.828 132 L CB 0.002 41.784 42.059 -0.462 0.000 0.973 132 L HN 0.207 nan 8.230 nan 0.000 0.461 133 S N -1.264 114.479 115.700 0.073 0.000 2.421 133 S HA -0.106 4.364 4.470 0.001 0.000 0.224 133 S C 2.155 176.796 174.600 0.067 0.000 1.035 133 S CA 0.642 58.916 58.200 0.122 0.000 0.953 133 S CB -0.287 62.995 63.200 0.136 0.000 0.810 133 S HN 0.419 nan 8.310 nan 0.000 0.497 134 S N 3.262 118.990 115.700 0.047 0.000 2.383 134 S HA 0.074 4.544 4.470 0.001 0.000 0.227 134 S C -0.753 173.857 174.600 0.016 0.000 1.026 134 S CA 0.853 59.071 58.200 0.030 0.000 0.981 134 S CB -1.914 61.303 63.200 0.029 0.000 0.818 134 S HN 0.453 nan 8.310 nan 0.000 0.472 135 P HA 0.077 nan 4.420 nan 0.000 0.218 135 P C 1.367 178.672 177.300 0.009 0.000 1.149 135 P CA 0.799 63.905 63.100 0.010 0.000 0.817 135 P CB -0.189 31.519 31.700 0.013 0.000 0.785 136 I N -1.372 119.212 120.570 0.022 0.000 2.202 136 I HA -0.195 3.975 4.170 0.001 0.000 0.242 136 I C 2.220 178.329 176.117 -0.014 0.000 1.091 136 I CA 1.008 62.317 61.300 0.017 0.000 1.368 136 I CB -0.769 37.258 38.000 0.045 0.000 1.058 136 I HN -0.068 nan 8.210 nan 0.000 0.410 137 L N 0.346 121.556 121.223 -0.022 0.000 2.046 137 L HA -0.174 4.166 4.340 0.001 0.000 0.208 137 L C 2.614 179.446 176.870 -0.062 0.000 1.077 137 L CA 1.876 56.678 54.840 -0.062 0.000 0.747 137 L CB -0.709 41.305 42.059 -0.075 0.000 0.896 137 L HN 0.141 nan 8.230 nan 0.000 0.432 138 S N -0.666 115.012 115.700 -0.036 0.000 2.382 138 S HA -0.103 4.368 4.470 0.001 0.000 0.228 138 S C 2.037 176.617 174.600 -0.033 0.000 1.027 138 S CA 1.138 59.319 58.200 -0.032 0.000 0.991 138 S CB -0.795 62.396 63.200 -0.016 0.000 0.823 138 S HN 0.658 nan 8.310 nan 0.000 0.469 139 G N 0.599 109.383 108.800 -0.028 0.000 2.422 139 G HA2 -0.032 3.929 3.960 0.001 0.000 0.218 139 G HA3 -0.032 3.929 3.960 0.001 0.000 0.218 139 G C 1.621 176.498 174.900 -0.038 0.000 1.146 139 G CA 0.886 45.970 45.100 -0.027 0.000 0.769 139 G HN 0.665 nan 8.290 nan 0.000 0.547 140 A N 0.519 123.310 122.820 -0.048 0.000 1.969 140 A HA 0.145 4.465 4.320 0.001 0.000 0.218 140 A C 2.361 179.901 177.584 -0.073 0.000 1.169 140 A CA 0.991 52.991 52.037 -0.062 0.000 0.635 140 A CB -0.261 18.693 19.000 -0.076 0.000 0.810 140 A HN 0.381 nan 8.150 nan 0.000 0.445 141 I N -1.157 119.366 120.570 -0.077 0.000 2.252 141 I HA -0.224 3.946 4.170 0.001 0.000 0.245 141 I C 2.754 178.838 176.117 -0.055 0.000 1.102 141 I CA 1.139 62.393 61.300 -0.077 0.000 1.385 141 I CB -0.299 37.656 38.000 -0.076 0.000 1.064 141 I HN 0.271 nan 8.210 nan 0.000 0.414 142 R N 0.509 120.983 120.500 -0.044 0.000 2.081 142 R HA -0.224 4.117 4.340 0.001 0.000 0.235 142 R C 1.934 178.213 176.300 -0.034 0.000 1.131 142 R CA 1.931 58.011 56.100 -0.034 0.000 0.960 142 R CB -0.363 29.921 30.300 -0.028 0.000 0.856 142 R HN 0.266 nan 8.270 nan 0.000 0.436 143 D N 0.337 120.715 120.400 -0.038 0.000 2.221 143 D HA -0.127 4.514 4.640 0.001 0.000 0.204 143 D C 1.156 177.433 176.300 -0.037 0.000 0.982 143 D CA 0.888 54.867 54.000 -0.036 0.000 0.857 143 D CB 0.117 40.894 40.800 -0.038 0.000 0.934 143 D HN 0.161 nan 8.370 nan 0.000 0.475 144 L N -1.242 119.954 121.223 -0.045 0.000 2.629 144 L HA 0.301 4.641 4.340 0.001 0.000 0.230 144 L C 1.443 178.290 176.870 -0.038 0.000 1.151 144 L CA 0.305 55.117 54.840 -0.046 0.000 0.924 144 L CB 0.099 42.121 42.059 -0.061 0.000 1.137 144 L HN 0.219 nan 8.230 nan 0.000 0.457 145 G N 0.021 108.801 108.800 -0.033 0.000 2.141 145 G HA2 -0.252 3.708 3.960 0.001 0.000 0.231 145 G HA3 -0.252 3.708 3.960 0.001 0.000 0.231 145 G C -0.063 174.822 174.900 -0.026 0.000 0.984 145 G CA -0.162 44.922 45.100 -0.027 0.000 0.660 145 G HN 0.349 nan 8.290 nan 0.000 0.525 146 E N 0.253 120.435 120.200 -0.030 0.000 2.227 146 E HA 0.644 4.995 4.350 0.001 0.000 0.268 146 E C 0.208 176.793 176.600 -0.025 0.000 0.907 146 E CA -0.805 55.578 56.400 -0.028 0.000 0.786 146 E CB 0.770 30.450 29.700 -0.034 0.000 1.191 146 E HN 0.211 nan 8.360 nan 0.000 0.411 147 K N 1.384 121.773 120.400 -0.019 0.000 2.322 147 K HA 0.415 4.735 4.320 0.001 0.000 0.283 147 K C -0.740 175.850 176.600 -0.016 0.000 1.042 147 K CA 0.007 56.285 56.287 -0.016 0.000 0.958 147 K CB 1.017 33.510 32.500 -0.012 0.000 0.984 147 K HN 0.299 nan 8.250 nan 0.000 0.473 148 S N 2.828 118.519 115.700 -0.016 0.000 2.535 148 S HA 0.580 5.051 4.470 0.001 0.000 0.272 148 S C -1.445 173.148 174.600 -0.012 0.000 1.149 148 S CA -0.895 57.296 58.200 -0.015 0.000 0.888 148 S CB 0.676 63.862 63.200 -0.023 0.000 1.110 148 S HN 0.572 nan 8.310 nan 0.000 0.463 149 I N 0.965 121.531 120.570 -0.008 0.000 2.769 149 I HA 0.950 5.120 4.170 0.001 0.000 0.298 149 I C -0.319 175.796 176.117 -0.003 0.000 1.128 149 I CA -1.314 59.983 61.300 -0.005 0.000 1.031 149 I CB 1.902 39.899 38.000 -0.004 0.000 1.235 149 I HN 0.655 nan 8.210 nan 0.000 0.423 150 A N 6.069 128.888 122.820 -0.002 0.000 2.310 150 A HA 0.864 5.185 4.320 0.001 0.000 0.299 150 A C -0.642 176.942 177.584 0.000 0.000 1.147 150 A CA -0.471 51.567 52.037 0.001 0.000 0.818 150 A CB 0.744 19.745 19.000 0.002 0.000 1.096 150 A HN 0.742 nan 8.150 nan 0.000 0.495 151 L N 1.473 122.697 121.223 0.002 0.000 2.409 151 L HA 0.425 4.766 4.340 0.001 0.000 0.262 151 L C -0.080 176.787 176.870 -0.005 0.000 0.992 151 L CA -0.635 54.204 54.840 -0.002 0.000 0.817 151 L CB 2.338 44.397 42.059 -0.001 0.000 1.350 151 L HN 0.830 nan 8.230 nan 0.000 0.411 152 E N 0.206 120.398 120.200 -0.013 0.000 2.345 152 E HA 0.186 4.537 4.350 0.001 0.000 0.259 152 E C 0.794 177.383 176.600 -0.017 0.000 1.117 152 E CA 0.119 56.507 56.400 -0.020 0.000 0.913 152 E CB 1.276 30.956 29.700 -0.033 0.000 1.057 152 E HN 0.794 nan 8.360 nan 0.000 0.432 153 G N 1.153 109.941 108.800 -0.021 0.000 2.432 153 G HA2 -0.229 3.731 3.960 0.001 0.000 0.219 153 G HA3 -0.229 3.731 3.960 0.001 0.000 0.219 153 G C 1.248 176.127 174.900 -0.035 0.000 1.135 153 G CA 0.764 45.847 45.100 -0.028 0.000 0.767 153 G HN 0.623 nan 8.290 nan 0.000 0.550 154 G N 1.142 109.923 108.800 -0.032 0.000 2.394 154 G HA2 -0.101 3.860 3.960 0.001 0.000 0.215 154 G HA3 -0.101 3.860 3.960 0.001 0.000 0.215 154 G C 1.581 176.465 174.900 -0.027 0.000 1.165 154 G CA 1.065 46.146 45.100 -0.032 0.000 0.784 154 G HN 0.641 nan 8.290 nan 0.000 0.535 155 E N 0.388 120.576 120.200 -0.021 0.000 2.427 155 E HA 0.277 4.627 4.350 0.001 0.000 0.196 155 E C 2.192 178.783 176.600 -0.015 0.000 1.028 155 E CA 0.672 57.062 56.400 -0.017 0.000 0.864 155 E CB -0.091 29.601 29.700 -0.012 0.000 0.813 155 E HN 0.315 nan 8.360 nan 0.000 0.514 156 A N 1.070 123.881 122.820 -0.016 0.000 2.208 156 A HA 0.342 4.663 4.320 0.001 0.000 0.209 156 A C 1.836 179.410 177.584 -0.017 0.000 1.161 156 A CA 0.683 52.712 52.037 -0.013 0.000 0.782 156 A CB -0.201 18.793 19.000 -0.011 0.000 0.816 156 A HN 0.542 nan 8.150 nan 0.000 0.477 157 G N -1.085 107.700 108.800 -0.024 0.000 2.175 157 G HA2 -0.130 3.830 3.960 0.001 0.000 0.182 157 G HA3 -0.130 3.830 3.960 0.001 0.000 0.182 157 G C -0.015 174.862 174.900 -0.039 0.000 1.003 157 G CA -0.098 44.987 45.100 -0.026 0.000 0.666 157 G HN 0.412 nan 8.290 nan 0.000 0.506 158 I N 1.670 122.208 120.570 -0.053 0.000 2.281 158 I HA 0.462 4.633 4.170 0.001 0.000 0.293 158 I C 0.073 176.147 176.117 -0.070 0.000 1.085 158 I CA -0.579 60.673 61.300 -0.078 0.000 1.257 158 I CB 0.665 38.600 38.000 -0.108 0.000 1.430 158 I HN -0.052 nan 8.210 nan 0.000 0.489 159 I N 5.991 126.520 120.570 -0.067 0.000 2.377 159 I HA 0.356 4.527 4.170 0.001 0.000 0.293 159 I C 0.702 176.777 176.117 -0.070 0.000 0.987 159 I CA 0.022 61.285 61.300 -0.063 0.000 1.185 159 I CB 1.923 39.890 38.000 -0.055 0.000 1.341 159 I HN 0.596 nan 8.210 nan 0.000 0.455 160 T N 0.485 114.994 114.554 -0.075 0.000 2.883 160 T HA 0.592 4.942 4.350 0.001 0.000 0.284 160 T C -0.452 174.188 174.700 -0.099 0.000 1.041 160 T CA -0.924 61.127 62.100 -0.082 0.000 1.007 160 T CB 1.562 70.376 68.868 -0.090 0.000 1.220 160 T HN 0.520 nan 8.240 nan 0.000 0.552 161 D N -0.146 120.188 120.400 -0.110 0.000 2.414 161 D HA 0.169 4.809 4.640 0.001 0.000 0.259 161 D C -0.039 176.111 176.300 -0.250 0.000 1.269 161 D CA -0.704 53.215 54.000 -0.136 0.000 1.028 161 D CB -0.146 40.592 40.800 -0.103 0.000 1.093 161 D HN 0.725 nan 8.370 nan 0.000 0.545 162 N N -1.503 117.016 118.700 -0.302 0.000 2.546 162 N HA 0.086 4.826 4.740 0.001 0.000 0.286 162 N C -0.593 174.535 175.510 -0.636 0.000 1.259 162 N CA -0.626 52.033 53.050 -0.652 0.000 0.939 162 N CB -0.268 37.960 38.487 -0.432 0.000 1.243 162 N HN 0.211 nan 8.380 nan 0.000 0.511 163 N N 1.299 119.768 118.700 -0.384 0.000 2.968 163 N HA 0.094 4.834 4.740 0.001 0.000 0.271 163 N C -1.082 174.322 175.510 -0.176 0.000 1.174 163 N CA -0.648 52.283 53.050 -0.198 0.000 1.096 163 N CB -0.310 38.125 38.487 -0.087 0.000 1.403 163 N HN 0.144 nan 8.380 nan 0.000 0.522 164 F N 1.025 120.986 119.950 0.017 0.000 2.612 164 F HA 0.233 4.761 4.527 0.001 0.000 0.389 164 F C 1.972 177.778 175.800 0.011 0.000 1.055 164 F CA 1.236 59.241 58.000 0.008 0.000 1.232 164 F CB 0.259 39.264 39.000 0.009 0.000 1.044 164 F HN 0.515 nan 8.300 nan 0.000 0.560 165 G N 1.438 110.335 108.800 0.161 0.000 3.151 165 G HA2 -0.146 3.815 3.960 0.001 0.000 0.197 165 G HA3 -0.146 3.815 3.960 0.001 0.000 0.197 165 G C -0.083 174.866 174.900 0.082 0.000 1.682 165 G CA -0.143 45.024 45.100 0.112 0.000 1.205 165 G HN 1.143 nan 8.290 nan 0.000 0.510 166 S N 0.318 116.053 115.700 0.058 0.000 2.488 166 S HA 0.754 5.224 4.470 0.001 0.000 0.151 166 S C -0.008 174.601 174.600 0.015 0.000 1.401 166 S CA 0.716 58.946 58.200 0.051 0.000 1.221 166 S CB 0.938 64.187 63.200 0.081 0.000 1.407 166 S HN 2.025 nan 8.310 nan 0.000 0.406 167 A N 3.082 125.888 122.820 -0.025 0.000 2.540 167 A HA 0.442 4.762 4.320 0.001 0.000 0.239 167 A C 0.862 178.440 177.584 -0.010 0.000 1.061 167 A CA -0.322 51.676 52.037 -0.066 0.000 0.758 167 A CB 0.038 18.962 19.000 -0.127 0.000 0.991 167 A HN 0.942 nan 8.150 nan 0.000 0.502 168 R N 1.824 122.315 120.500 -0.015 0.000 2.490 168 R HA 0.502 4.842 4.340 0.001 0.000 0.278 168 R C -0.928 175.375 176.300 0.005 0.000 1.069 168 R CA -0.744 55.368 56.100 0.021 0.000 1.080 168 R CB 0.552 30.855 30.300 0.005 0.000 1.030 168 R HN 0.273 nan 8.270 nan 0.000 0.491 169 V N 3.592 123.529 119.914 0.037 0.000 2.572 169 V HA -0.002 4.119 4.120 0.001 0.000 0.291 169 V C 1.207 177.279 176.094 -0.036 0.000 1.039 169 V CA 0.205 62.491 62.300 -0.023 0.000 1.055 169 V CB 1.032 32.820 31.823 -0.059 0.000 0.969 169 V HN 0.887 nan 8.190 nan 0.000 0.482 170 K N 3.117 123.487 120.400 -0.050 0.000 2.141 170 K HA 0.247 4.568 4.320 0.001 0.000 0.202 170 K C 0.897 177.471 176.600 -0.043 0.000 1.045 170 K CA 0.370 56.630 56.287 -0.045 0.000 0.971 170 K CB 0.429 32.900 32.500 -0.048 0.000 0.795 170 K HN 0.595 nan 8.250 nan 0.000 0.459 171 R N 0.159 120.630 120.500 -0.047 0.000 2.643 171 R HA 0.372 4.713 4.340 0.001 0.000 0.269 171 R C -1.891 174.386 176.300 -0.038 0.000 1.037 171 R CA -0.502 55.578 56.100 -0.035 0.000 0.894 171 R CB 1.214 31.495 30.300 -0.031 0.000 1.238 171 R HN -0.054 nan 8.270 nan 0.000 0.459 172 L N 3.030 124.243 121.223 -0.016 0.000 2.362 172 L HA 0.477 4.817 4.340 0.001 0.000 0.275 172 L C -0.089 176.784 176.870 0.004 0.000 0.998 172 L CA -0.423 54.413 54.840 -0.008 0.000 0.820 172 L CB 2.185 44.257 42.059 0.021 0.000 1.270 172 L HN 0.753 nan 8.230 nan 0.000 0.415 173 E N 1.984 122.180 120.200 -0.006 0.000 2.869 173 E HA 0.083 4.434 4.350 0.001 0.000 0.207 173 E C 0.989 177.587 176.600 -0.003 0.000 0.986 173 E CA -0.125 56.272 56.400 -0.005 0.000 1.131 173 E CB 1.045 30.737 29.700 -0.013 0.000 1.098 173 E HN 0.488 nan 8.360 nan 0.000 0.459 174 V N 0.978 120.895 119.914 0.005 0.000 2.261 174 V HA -0.287 3.833 4.120 0.001 0.000 0.246 174 V C 2.299 178.395 176.094 0.004 0.000 1.047 174 V CA 1.759 64.062 62.300 0.005 0.000 1.015 174 V CB -0.247 31.586 31.823 0.016 0.000 0.642 174 V HN 0.265 nan 8.190 nan 0.000 0.446 175 K N -0.234 120.169 120.400 0.005 0.000 2.032 175 K HA -0.253 4.068 4.320 0.001 0.000 0.209 175 K C 2.202 178.801 176.600 -0.003 0.000 1.048 175 K CA 2.033 58.319 56.287 -0.000 0.000 0.927 175 K CB -0.158 32.339 32.500 -0.005 0.000 0.712 175 K HN 0.506 nan 8.250 nan 0.000 0.441 176 E N -0.026 120.172 120.200 -0.003 0.000 2.058 176 E HA -0.175 4.175 4.350 0.001 0.000 0.194 176 E C 2.020 178.617 176.600 -0.005 0.000 0.997 176 E CA 1.247 57.644 56.400 -0.005 0.000 0.801 176 E CB 0.081 29.778 29.700 -0.006 0.000 0.746 176 E HN 0.139 nan 8.360 nan 0.000 0.450 177 R N -0.170 120.327 120.500 -0.005 0.000 2.093 177 R HA 0.090 4.431 4.340 0.001 0.000 0.224 177 R C 2.307 178.605 176.300 -0.003 0.000 1.101 177 R CA 0.828 56.925 56.100 -0.006 0.000 0.979 177 R CB -0.334 29.961 30.300 -0.008 0.000 0.877 177 R HN 0.271 nan 8.270 nan 0.000 0.441 178 L N -0.193 121.029 121.223 -0.002 0.000 2.357 178 L HA 0.043 4.384 4.340 0.001 0.000 0.211 178 L C 2.047 178.918 176.870 0.001 0.000 1.075 178 L CA -0.020 54.820 54.840 0.001 0.000 0.830 178 L CB -0.308 41.753 42.059 0.004 0.000 0.996 178 L HN 0.003 nan 8.230 nan 0.000 0.467 179 L N 1.002 122.224 121.223 -0.001 0.000 2.013 179 L HA -0.149 4.191 4.340 0.001 0.000 0.212 179 L C -0.252 176.617 176.870 -0.002 0.000 1.073 179 L CA 2.422 57.261 54.840 -0.002 0.000 0.753 179 L CB -1.685 40.372 42.059 -0.004 0.000 0.890 179 L HN 0.103 nan 8.230 nan 0.000 0.432 180 P HA -0.172 nan 4.420 nan 0.000 0.216 180 P C 1.867 179.166 177.300 -0.002 0.000 1.153 180 P CA 1.070 64.168 63.100 -0.003 0.000 0.858 180 P CB 0.053 31.751 31.700 -0.004 0.000 0.789 181 L N -1.349 119.873 121.223 -0.002 0.000 2.017 181 L HA -0.129 4.212 4.340 0.001 0.000 0.208 181 L C 2.427 179.297 176.870 -0.000 0.000 1.073 181 L CA 1.717 56.557 54.840 -0.001 0.000 0.745 181 L CB -1.770 40.289 42.059 -0.000 0.000 0.894 181 L HN -0.050 nan 8.230 nan 0.000 0.432 182 L N -0.928 120.296 121.223 0.001 0.000 2.191 182 L HA -0.227 4.113 4.340 0.001 0.000 0.212 182 L C 2.531 179.402 176.870 0.000 0.000 1.103 182 L CA 1.049 55.890 54.840 0.002 0.000 0.769 182 L CB -0.463 41.598 42.059 0.004 0.000 0.908 182 L HN 0.307 nan 8.230 nan 0.000 0.438 183 K N -0.038 120.362 120.400 -0.001 0.000 2.103 183 K HA -0.118 4.202 4.320 0.001 0.000 0.204 183 K C 1.620 178.218 176.600 -0.002 0.000 1.052 183 K CA 0.836 57.122 56.287 -0.002 0.000 0.945 183 K CB 0.266 32.765 32.500 -0.002 0.000 0.722 183 K HN 0.169 nan 8.250 nan 0.000 0.443 184 E N -0.469 119.729 120.200 -0.003 0.000 2.511 184 E HA 0.005 4.356 4.350 0.001 0.000 0.196 184 E C 0.879 177.477 176.600 -0.004 0.000 1.066 184 E CA 0.755 57.153 56.400 -0.003 0.000 0.871 184 E CB 0.342 30.040 29.700 -0.004 0.000 0.863 184 E HN 0.539 nan 8.360 nan 0.000 0.520 185 G N 1.597 110.395 108.800 -0.003 0.000 2.137 185 G HA2 -0.296 3.665 3.960 0.001 0.000 0.237 185 G HA3 -0.296 3.665 3.960 0.001 0.000 0.237 185 G C 0.229 175.126 174.900 -0.004 0.000 1.002 185 G CA 0.137 45.235 45.100 -0.003 0.000 0.702 185 G HN 0.277 nan 8.290 nan 0.000 0.515 186 I N 0.742 121.311 120.570 -0.003 0.000 2.474 186 I HA 0.343 4.514 4.170 0.001 0.000 0.287 186 I C 1.007 177.123 176.117 -0.002 0.000 1.048 186 I CA -0.655 60.643 61.300 -0.004 0.000 1.383 186 I CB 1.115 39.112 38.000 -0.004 0.000 1.412 186 I HN 0.000 nan 8.210 nan 0.000 0.531 187 I N 8.609 129.177 120.570 -0.004 0.000 2.294 187 I HA 0.197 4.368 4.170 0.001 0.000 0.295 187 I C -2.156 173.962 176.117 0.002 0.000 1.098 187 I CA -1.719 59.581 61.300 -0.000 0.000 1.277 187 I CB 0.194 38.190 38.000 -0.007 0.000 1.434 187 I HN 0.238 nan 8.210 nan 0.000 0.498 188 P HA 0.096 nan 4.420 nan 0.000 0.276 188 P C -0.539 176.772 177.300 0.018 0.000 1.235 188 P CA -0.140 62.966 63.100 0.010 0.000 0.772 188 P CB 0.927 32.634 31.700 0.011 0.000 0.871 189 V N 5.313 125.236 119.914 0.015 0.000 2.294 189 V HA 0.155 4.276 4.120 0.001 0.000 0.272 189 V C 0.304 176.414 176.094 0.027 0.000 1.027 189 V CA -0.562 61.753 62.300 0.025 0.000 0.823 189 V CB 1.313 33.143 31.823 0.012 0.000 1.030 189 V HN 0.259 nan 8.190 nan 0.000 0.457 190 V N 4.196 124.133 119.914 0.038 0.000 2.509 190 V HA 0.323 4.443 4.120 0.001 0.000 0.284 190 V C 0.847 176.968 176.094 0.045 0.000 1.047 190 V CA -0.563 61.755 62.300 0.031 0.000 0.952 190 V CB 1.912 33.750 31.823 0.026 0.000 0.988 190 V HN 0.959 nan 8.190 nan 0.000 0.469 191 T N 2.228 116.803 114.554 0.036 0.000 2.853 191 T HA 0.388 4.739 4.350 0.001 0.000 0.298 191 T C 0.657 175.400 174.700 0.073 0.000 0.978 191 T CA -0.056 62.077 62.100 0.055 0.000 1.152 191 T CB 0.749 69.638 68.868 0.034 0.000 0.914 191 T HN 0.957 nan 8.240 nan 0.000 0.539 192 G N 1.332 110.199 108.800 0.111 0.000 2.621 192 G HA2 0.425 4.385 3.960 0.001 0.000 0.271 192 G HA3 0.425 4.385 3.960 0.001 0.000 0.271 192 G C 0.073 175.116 174.900 0.238 0.000 1.236 192 G CA -0.520 44.662 45.100 0.137 0.000 0.958 192 G HN 1.026 nan 8.290 nan 0.000 0.512 193 F N -2.064 117.889 119.950 0.005 0.000 2.504 193 F HA -0.222 4.306 4.527 0.001 0.000 0.597 193 F C 0.353 176.158 175.800 0.008 0.000 0.505 193 F CA 1.310 59.316 58.000 0.012 0.000 1.106 193 F CB -1.721 37.298 39.000 0.031 0.000 1.874 193 F HN 0.690 nan 8.300 nan 0.000 0.260 194 I N -0.782 119.770 120.570 -0.030 0.000 2.740 194 I HA 0.881 5.051 4.170 0.001 0.000 0.303 194 I C 0.434 176.500 176.117 -0.085 0.000 1.044 194 I CA -0.181 61.036 61.300 -0.139 0.000 1.064 194 I CB 1.826 39.751 38.000 -0.126 0.000 1.249 194 I HN 0.233 nan 8.210 nan 0.000 0.433 195 G N 1.721 110.470 108.800 -0.086 0.000 3.243 195 G HA2 0.673 4.634 3.960 0.001 0.000 0.248 195 G HA3 0.673 4.634 3.960 0.001 0.000 0.248 195 G C -1.392 173.487 174.900 -0.035 0.000 1.267 195 G CA -0.619 44.442 45.100 -0.065 0.000 0.906 195 G HN 0.682 nan 8.290 nan 0.000 0.592 196 T N -0.731 113.803 114.554 -0.034 0.000 2.912 196 T HA 0.586 4.936 4.350 0.001 0.000 0.299 196 T C -0.252 174.427 174.700 -0.035 0.000 1.052 196 T CA -0.213 61.880 62.100 -0.012 0.000 0.996 196 T CB 1.609 70.465 68.868 -0.019 0.000 1.070 196 T HN 0.462 nan 8.240 nan 0.000 0.465 197 T N 2.185 116.730 114.554 -0.016 0.000 2.860 197 T HA 0.129 4.479 4.350 0.001 0.000 0.299 197 T C 1.337 175.973 174.700 -0.108 0.000 1.045 197 T CA -0.048 62.015 62.100 -0.062 0.000 1.071 197 T CB 0.935 69.810 68.868 0.012 0.000 0.985 197 T HN 0.772 nan 8.240 nan 0.000 0.537 198 E N 1.071 121.205 120.200 -0.110 0.000 2.160 198 E HA -0.146 4.204 4.350 0.001 0.000 0.195 198 E C 1.846 178.352 176.600 -0.156 0.000 0.991 198 E CA 1.362 57.697 56.400 -0.108 0.000 0.810 198 E CB 0.122 29.772 29.700 -0.083 0.000 0.742 198 E HN 0.659 nan 8.360 nan 0.000 0.466 199 E N -1.460 118.584 120.200 -0.259 0.000 2.489 199 E HA 0.075 4.425 4.350 0.001 0.000 0.193 199 E C 1.045 177.365 176.600 -0.466 0.000 1.057 199 E CA 0.732 56.902 56.400 -0.383 0.000 0.866 199 E CB 0.447 29.848 29.700 -0.498 0.000 0.916 199 E HN 0.267 nan 8.360 nan 0.000 0.500 200 G N 0.908 109.503 108.800 -0.342 0.000 2.144 200 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 200 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 200 G C -0.429 174.443 174.900 -0.046 0.000 0.988 200 G CA -0.222 44.772 45.100 -0.176 0.000 0.659 200 G HN 0.160 nan 8.290 nan 0.000 0.522 201 Y N 0.509 120.853 120.300 0.073 0.000 2.359 201 Y HA 0.571 5.121 4.550 0.000 0.000 0.330 201 Y C 1.507 177.501 175.900 0.157 0.000 1.143 201 Y CA -1.641 56.535 58.100 0.127 0.000 1.318 201 Y CB 0.355 38.958 38.460 0.239 0.000 1.234 201 Y HN 0.167 nan 8.280 nan 0.000 0.522 202 I N 2.569 123.331 120.570 0.320 0.000 2.648 202 I HA 0.063 4.234 4.170 0.001 0.000 0.284 202 I C 0.596 176.871 176.117 0.263 0.000 1.153 202 I CA 0.683 62.110 61.300 0.211 0.000 1.426 202 I CB 0.535 38.634 38.000 0.166 0.000 1.381 202 I HN 0.582 nan 8.210 nan 0.000 0.571 203 T N 4.092 118.726 114.554 0.133 0.000 2.893 203 T HA 0.463 4.813 4.350 0.001 0.000 0.291 203 T C -0.297 174.355 174.700 -0.080 0.000 1.028 203 T CA -0.566 61.598 62.100 0.106 0.000 0.995 203 T CB 1.311 70.183 68.868 0.006 0.000 1.051 203 T HN 0.756 nan 8.240 nan 0.000 0.470 204 T N 1.378 115.844 114.554 -0.147 0.000 2.943 204 T HA 0.584 4.934 4.350 0.001 0.000 0.284 204 T C 0.853 175.419 174.700 -0.223 0.000 1.015 204 T CA -0.847 60.993 62.100 -0.433 0.000 1.042 204 T CB 0.814 69.189 68.868 -0.822 0.000 1.055 204 T HN 0.432 nan 8.240 nan 0.000 0.500 205 L N 1.156 122.261 121.223 -0.196 0.000 2.667 205 L HA 0.485 4.826 4.340 0.001 0.000 0.232 205 L C 1.252 178.191 176.870 0.115 0.000 1.138 205 L CA -0.077 54.782 54.840 0.031 0.000 0.921 205 L CB -0.538 41.589 42.059 0.113 0.000 1.180 205 L HN 1.232 nan 8.230 nan 0.000 0.487 206 G N 0.421 109.335 108.800 0.191 0.000 2.697 206 G HA2 -0.127 3.834 3.960 0.001 0.000 0.686 206 G HA3 -0.127 3.834 3.960 0.001 0.000 0.686 206 G C -0.766 174.415 174.900 0.467 0.000 1.179 206 G CA -1.160 44.121 45.100 0.301 0.000 0.765 206 G HN -0.006 nan 8.290 nan 0.000 0.649 207 R N 0.549 121.268 120.500 0.365 0.000 2.538 207 R HA 0.439 4.780 4.340 0.001 0.000 0.282 207 R C 1.689 178.107 176.300 0.196 0.000 1.009 207 R CA 1.022 57.234 56.100 0.188 0.000 1.063 207 R CB 0.140 30.508 30.300 0.114 0.000 0.945 207 R HN 2.466 nan 8.270 nan 0.000 0.414 208 G N 1.449 110.279 108.800 0.050 0.000 2.176 208 G HA2 -0.277 3.684 3.960 0.001 0.000 0.253 208 G HA3 -0.277 3.684 3.960 0.001 0.000 0.253 208 G C 0.953 175.911 174.900 0.097 0.000 0.979 208 G CA 0.388 45.569 45.100 0.134 0.000 0.641 208 G HN 0.746 nan 8.290 nan 0.000 0.530 209 G N 0.357 109.190 108.800 0.056 0.000 2.598 209 G HA2 0.187 4.148 3.960 0.001 0.000 0.215 209 G HA3 0.187 4.148 3.960 0.001 0.000 0.215 209 G C 1.700 176.673 174.900 0.123 0.000 1.131 209 G CA 1.827 46.928 45.100 0.001 0.000 0.785 209 G HN 0.686 nan 8.290 nan 0.000 0.539 210 S N 0.870 116.648 115.700 0.130 0.000 2.383 210 S HA -0.110 4.360 4.470 0.001 0.000 0.229 210 S C 1.993 176.656 174.600 0.105 0.000 1.030 210 S CA 1.234 59.506 58.200 0.121 0.000 1.002 210 S CB -0.161 63.095 63.200 0.094 0.000 0.829 210 S HN 0.401 nan 8.310 nan 0.000 0.467 211 D N 0.188 120.657 120.400 0.114 0.000 2.123 211 D HA -0.120 4.520 4.640 0.001 0.000 0.196 211 D C 1.650 178.054 176.300 0.172 0.000 0.992 211 D CA 1.055 55.136 54.000 0.135 0.000 0.833 211 D CB -0.383 40.517 40.800 0.167 0.000 0.954 211 D HN 0.408 nan 8.370 nan 0.000 0.455 212 Y N 2.199 122.495 120.300 -0.008 0.000 2.181 212 Y HA -0.207 4.343 4.550 0.001 0.000 0.288 212 Y C 2.449 178.342 175.900 -0.011 0.000 1.146 212 Y CA 1.007 59.090 58.100 -0.028 0.000 1.164 212 Y CB -0.568 37.803 38.460 -0.148 0.000 0.982 212 Y HN -0.144 nan 8.280 nan 0.000 0.515 213 S N 0.518 116.188 115.700 -0.050 0.000 2.365 213 S HA -0.300 4.171 4.470 0.001 0.000 0.225 213 S C 2.345 176.916 174.600 -0.049 0.000 1.039 213 S CA 1.467 59.603 58.200 -0.106 0.000 1.033 213 S CB -1.013 62.179 63.200 -0.013 0.000 0.887 213 S HN 0.634 nan 8.310 nan 0.000 0.447 214 A N 1.591 124.424 122.820 0.022 0.000 1.883 214 A HA 0.010 4.330 4.320 0.001 0.000 0.217 214 A C 2.387 179.999 177.584 0.047 0.000 1.186 214 A CA 1.945 54.008 52.037 0.043 0.000 0.624 214 A CB -1.173 17.865 19.000 0.063 0.000 0.822 214 A HN 0.556 nan 8.150 nan 0.000 0.444 215 A N -0.494 122.365 122.820 0.064 0.000 1.898 215 A HA 0.018 4.339 4.320 0.001 0.000 0.216 215 A C 2.182 179.796 177.584 0.049 0.000 1.181 215 A CA 1.415 53.505 52.037 0.088 0.000 0.620 215 A CB -0.585 18.507 19.000 0.155 0.000 0.819 215 A HN 0.466 nan 8.150 nan 0.000 0.442 216 L N -0.756 120.420 121.223 -0.078 0.000 2.017 216 L HA -0.190 4.150 4.340 0.001 0.000 0.208 216 L C 2.485 179.348 176.870 -0.011 0.000 1.073 216 L CA 1.406 56.163 54.840 -0.137 0.000 0.745 216 L CB -0.478 41.374 42.059 -0.346 0.000 0.894 216 L HN 0.359 nan 8.230 nan 0.000 0.432 217 I N -0.444 120.118 120.570 -0.013 0.000 2.252 217 I HA -0.189 3.981 4.170 0.001 0.000 0.245 217 I C 2.605 178.754 176.117 0.053 0.000 1.102 217 I CA 1.372 62.683 61.300 0.019 0.000 1.385 217 I CB -0.731 37.276 38.000 0.011 0.000 1.064 217 I HN 0.252 nan 8.210 nan 0.000 0.414 218 G N -0.061 108.778 108.800 0.066 0.000 2.446 218 G HA2 -0.355 3.606 3.960 0.001 0.000 0.217 218 G HA3 -0.355 3.606 3.960 0.001 0.000 0.217 218 G C 1.666 176.623 174.900 0.095 0.000 1.168 218 G CA 1.034 46.179 45.100 0.075 0.000 0.771 218 G HN 0.424 nan 8.290 nan 0.000 0.551 219 Y N 1.715 122.009 120.300 -0.010 0.000 2.128 219 Y HA -0.079 4.472 4.550 0.001 0.000 0.284 219 Y C 2.833 178.722 175.900 -0.018 0.000 1.154 219 Y CA 1.900 59.991 58.100 -0.015 0.000 1.149 219 Y CB -0.482 37.966 38.460 -0.020 0.000 0.976 219 Y HN 0.140 nan 8.280 nan 0.000 0.505 220 G N 0.148 109.092 108.800 0.239 0.000 2.450 220 G HA2 -0.220 3.741 3.960 0.001 0.000 0.220 220 G HA3 -0.220 3.741 3.960 0.001 0.000 0.220 220 G C 1.368 176.275 174.900 0.011 0.000 1.130 220 G CA 1.204 46.378 45.100 0.123 0.000 0.760 220 G HN 0.464 nan 8.290 nan 0.000 0.557 221 L N 0.017 121.244 121.223 0.006 0.000 2.607 221 L HA 0.193 4.534 4.340 0.001 0.000 0.228 221 L C 0.262 177.112 176.870 -0.034 0.000 1.123 221 L CA -0.099 54.735 54.840 -0.011 0.000 0.890 221 L CB 0.079 42.142 42.059 0.007 0.000 1.103 221 L HN 0.046 nan 8.230 nan 0.000 0.468 222 D N 0.596 120.953 120.400 -0.072 0.000 2.751 222 D HA -0.177 4.464 4.640 0.001 0.000 0.233 222 D C 0.683 176.962 176.300 -0.036 0.000 1.149 222 D CA 0.921 54.869 54.000 -0.086 0.000 0.682 222 D CB -0.827 39.919 40.800 -0.090 0.000 1.068 222 D HN 0.369 nan 8.370 nan 0.000 0.429 223 A N 0.259 123.073 122.820 -0.010 0.000 2.492 223 A HA 0.020 4.341 4.320 0.001 0.000 0.236 223 A C 1.399 178.993 177.584 0.017 0.000 1.078 223 A CA 0.464 52.508 52.037 0.012 0.000 0.773 223 A CB 0.476 19.495 19.000 0.031 0.000 1.023 223 A HN 0.105 nan 8.150 nan 0.000 0.504 224 D N -0.450 119.964 120.400 0.023 0.000 2.162 224 D HA 0.108 4.749 4.640 0.001 0.000 0.203 224 D C 0.331 176.653 176.300 0.036 0.000 0.967 224 D CA 1.463 55.478 54.000 0.025 0.000 0.840 224 D CB 0.212 41.026 40.800 0.023 0.000 0.972 224 D HN 0.489 nan 8.370 nan 0.000 0.482 225 I N 0.120 120.716 120.570 0.043 0.000 2.787 225 I HA 0.223 4.394 4.170 0.001 0.000 0.294 225 I C -1.683 174.468 176.117 0.056 0.000 1.365 225 I CA -0.668 60.661 61.300 0.049 0.000 1.029 225 I CB 2.429 40.454 38.000 0.041 0.000 1.313 225 I HN -0.324 nan 8.210 nan 0.000 0.431 226 I N 6.316 126.921 120.570 0.058 0.000 2.330 226 I HA 0.326 4.497 4.170 0.001 0.000 0.289 226 I C -0.561 175.574 176.117 0.031 0.000 1.001 226 I CA -0.327 61.008 61.300 0.057 0.000 1.193 226 I CB 1.331 39.374 38.000 0.072 0.000 1.345 226 I HN 0.422 nan 8.210 nan 0.000 0.461 227 E N 6.915 127.136 120.200 0.035 0.000 2.109 227 E HA 0.398 4.749 4.350 0.001 0.000 0.278 227 E C -0.762 175.808 176.600 -0.050 0.000 0.954 227 E CA -0.668 55.717 56.400 -0.025 0.000 0.779 227 E CB 1.865 31.626 29.700 0.103 0.000 1.093 227 E HN 0.380 nan 8.360 nan 0.000 0.401 228 I N 3.421 123.903 120.570 -0.147 0.000 2.291 228 I HA 0.162 4.332 4.170 0.001 0.000 0.290 228 I C -0.588 175.393 176.117 -0.227 0.000 1.050 228 I CA -0.482 60.751 61.300 -0.112 0.000 1.245 228 I CB -0.260 37.712 38.000 -0.047 0.000 1.405 228 I HN 0.493 nan 8.210 nan 0.000 0.478 229 W N 5.894 127.013 121.300 -0.302 0.000 2.316 229 W HA 0.460 5.120 4.660 0.001 0.000 0.308 229 W C 0.894 177.367 176.519 -0.077 0.000 1.106 229 W CA 0.004 57.182 57.345 -0.277 0.000 1.262 229 W CB 1.440 30.474 29.460 -0.710 0.000 1.233 229 W HN 0.434 nan 8.180 nan 0.000 0.447 230 T N 0.824 115.489 114.554 0.185 0.000 2.626 230 T HA 0.187 4.537 4.350 0.001 0.000 0.279 230 T C 0.047 174.912 174.700 0.276 0.000 0.983 230 T CA -0.464 61.752 62.100 0.194 0.000 1.059 230 T CB 1.001 69.934 68.868 0.109 0.000 1.396 230 T HN 0.385 nan 8.240 nan 0.000 0.519 231 D N 0.454 121.011 120.400 0.262 0.000 2.402 231 D HA 0.254 4.895 4.640 0.001 0.000 0.216 231 D C 0.441 176.846 176.300 0.176 0.000 1.128 231 D CA -0.128 54.080 54.000 0.348 0.000 0.833 231 D CB -0.329 40.645 40.800 0.290 0.000 0.971 231 D HN 0.429 nan 8.370 nan 0.000 0.503 232 V N -3.759 116.222 119.914 0.111 0.000 3.040 232 V HA 0.614 4.735 4.120 0.001 0.000 0.312 232 V C 0.140 176.316 176.094 0.137 0.000 1.115 232 V CA -1.049 61.269 62.300 0.030 0.000 0.998 232 V CB 1.863 33.593 31.823 -0.156 0.000 1.042 232 V HN -0.109 nan 8.190 nan 0.000 0.433 233 S N 2.276 118.131 115.700 0.259 0.000 3.697 233 S HA 0.660 5.131 4.470 0.001 0.000 0.207 233 S C 0.637 175.380 174.600 0.239 0.000 1.459 233 S CA 0.479 58.820 58.200 0.235 0.000 1.122 233 S CB -0.874 62.455 63.200 0.216 0.000 1.311 233 S HN 1.939 nan 8.310 nan 0.000 0.487 234 G N 0.280 109.186 108.800 0.177 0.000 2.466 234 G HA2 -0.122 3.838 3.960 0.001 0.000 0.316 234 G HA3 -0.122 3.838 3.960 0.001 0.000 0.316 234 G C -0.881 174.158 174.900 0.232 0.000 1.270 234 G CA -0.931 44.237 45.100 0.112 0.000 0.982 234 G HN 0.368 nan 8.290 nan 0.000 0.506 235 V N 0.913 120.912 119.914 0.142 0.000 2.546 235 V HA 0.570 4.690 4.120 0.001 0.000 0.284 235 V C 0.145 176.369 176.094 0.216 0.000 1.050 235 V CA -0.069 62.340 62.300 0.181 0.000 0.981 235 V CB 0.808 32.681 31.823 0.084 0.000 0.990 235 V HN 0.608 nan 8.190 nan 0.000 0.474 236 Y N 1.384 121.700 120.300 0.025 0.000 2.568 236 Y HA 0.251 4.801 4.550 0.001 0.000 0.327 236 Y C 1.931 177.871 175.900 0.065 0.000 1.163 236 Y CA -0.404 57.722 58.100 0.042 0.000 1.219 236 Y CB 1.831 40.315 38.460 0.040 0.000 1.308 236 Y HN 0.751 nan 8.280 nan 0.000 0.503 237 T N -3.095 111.599 114.554 0.234 0.000 2.881 237 T HA -0.050 4.301 4.350 0.001 0.000 0.270 237 T C 0.572 175.433 174.700 0.268 0.000 1.068 237 T CA 1.495 63.729 62.100 0.223 0.000 1.131 237 T CB -0.125 68.897 68.868 0.257 0.000 0.871 237 T HN 0.580 nan 8.240 nan 0.000 0.479 238 T N 0.089 114.791 114.554 0.247 0.000 2.739 238 T HA 0.304 4.655 4.350 0.001 0.000 0.303 238 T C -2.092 172.650 174.700 0.070 0.000 1.389 238 T CA -0.783 61.393 62.100 0.126 0.000 1.001 238 T CB 1.639 70.553 68.868 0.076 0.000 1.436 238 T HN 0.085 nan 8.240 nan 0.000 0.500 239 D N 2.466 122.875 120.400 0.016 0.000 2.479 239 D HA 0.080 4.720 4.640 0.001 0.000 0.257 239 D C -1.191 175.062 176.300 -0.077 0.000 1.230 239 D CA -1.377 52.604 54.000 -0.032 0.000 0.912 239 D CB 1.309 42.091 40.800 -0.030 0.000 1.130 239 D HN 0.204 nan 8.370 nan 0.000 0.515 240 P HA -0.090 nan 4.420 nan 0.000 0.228 240 P C 1.088 178.311 177.300 -0.128 0.000 1.151 240 P CA 0.655 63.652 63.100 -0.173 0.000 0.770 240 P CB 0.343 31.805 31.700 -0.397 0.000 0.786 241 R N -0.912 119.523 120.500 -0.109 0.000 2.153 241 R HA 0.145 4.486 4.340 0.001 0.000 0.218 241 R C 2.358 178.621 176.300 -0.062 0.000 1.072 241 R CA 0.594 56.647 56.100 -0.079 0.000 0.990 241 R CB -0.374 29.886 30.300 -0.067 0.000 0.889 241 R HN 0.216 nan 8.270 nan 0.000 0.452 242 L N -0.388 120.797 121.223 -0.063 0.000 2.253 242 L HA 0.119 4.459 4.340 0.001 0.000 0.205 242 L C 0.071 176.900 176.870 -0.068 0.000 1.078 242 L CA 0.702 55.510 54.840 -0.054 0.000 0.805 242 L CB 0.633 42.667 42.059 -0.042 0.000 0.963 242 L HN -0.081 nan 8.230 nan 0.000 0.459 243 V N 0.529 120.381 119.914 -0.104 0.000 2.327 243 V HA 0.199 4.319 4.120 0.001 0.000 0.272 243 V C -1.673 174.349 176.094 -0.121 0.000 1.019 243 V CA -0.872 61.341 62.300 -0.146 0.000 0.814 243 V CB 1.236 32.879 31.823 -0.300 0.000 1.040 243 V HN -0.021 nan 8.190 nan 0.000 0.440 244 P HA -0.195 nan 4.420 nan 0.000 0.218 244 P C 1.614 178.919 177.300 0.009 0.000 1.150 244 P CA 1.866 64.948 63.100 -0.029 0.000 0.841 244 P CB 0.087 31.777 31.700 -0.017 0.000 0.784 245 T N -4.225 110.332 114.554 0.006 0.000 3.194 245 T HA 0.340 4.691 4.350 0.001 0.000 0.251 245 T C 0.822 175.622 174.700 0.167 0.000 1.132 245 T CA -0.092 62.057 62.100 0.081 0.000 1.028 245 T CB -0.810 68.122 68.868 0.107 0.000 0.976 245 T HN 0.064 nan 8.240 nan 0.000 0.535 246 A N 2.300 125.171 122.820 0.086 0.000 2.531 246 A HA 0.449 4.770 4.320 0.001 0.000 0.236 246 A C 0.510 178.319 177.584 0.375 0.000 1.062 246 A CA -0.301 51.882 52.037 0.245 0.000 0.760 246 A CB 0.219 19.334 19.000 0.192 0.000 0.995 246 A HN 0.531 nan 8.150 nan 0.000 0.501 247 R N 1.397 122.053 120.500 0.261 0.000 2.637 247 R HA 0.359 4.699 4.340 0.001 0.000 0.291 247 R C -0.108 175.899 176.300 -0.488 0.000 0.963 247 R CA -0.902 55.175 56.100 -0.040 0.000 0.901 247 R CB 1.569 31.860 30.300 -0.014 0.000 1.160 247 R HN 0.879 nan 8.270 nan 0.000 0.457 248 R N 2.464 122.431 120.500 -0.888 0.000 2.522 248 R HA 0.092 4.433 4.340 0.001 0.000 0.284 248 R C -0.394 175.677 176.300 -0.381 0.000 1.032 248 R CA 0.088 55.632 56.100 -0.926 0.000 1.049 248 R CB 0.223 30.137 30.300 -0.643 0.000 0.956 248 R HN 0.511 nan 8.270 nan 0.000 0.422 249 I N 8.767 129.179 120.570 -0.263 0.000 2.301 249 I HA 0.184 4.355 4.170 0.001 0.000 0.292 249 I C -1.580 174.467 176.117 -0.118 0.000 1.046 249 I CA -2.370 58.848 61.300 -0.136 0.000 1.282 249 I CB 1.768 39.723 38.000 -0.076 0.000 1.409 249 I HN 0.549 nan 8.210 nan 0.000 0.484 250 P HA -0.099 nan 4.420 nan 0.000 0.216 250 P C -0.285 176.968 177.300 -0.078 0.000 1.150 250 P CA 1.382 64.430 63.100 -0.087 0.000 0.837 250 P CB 0.227 31.884 31.700 -0.073 0.000 0.786 251 K N -0.996 119.360 120.400 -0.073 0.000 2.468 251 K HA 0.526 4.847 4.320 0.001 0.000 0.252 251 K C -1.518 175.037 176.600 -0.075 0.000 0.932 251 K CA -0.749 55.492 56.287 -0.077 0.000 0.794 251 K CB 1.980 34.437 32.500 -0.072 0.000 1.241 251 K HN -0.233 nan 8.250 nan 0.000 0.428 252 L N 1.398 122.567 121.223 -0.090 0.000 2.409 252 L HA 0.430 4.770 4.340 0.001 0.000 0.262 252 L C -0.290 176.499 176.870 -0.134 0.000 0.992 252 L CA -0.356 54.434 54.840 -0.083 0.000 0.817 252 L CB 2.142 44.170 42.059 -0.052 0.000 1.350 252 L HN 0.811 nan 8.230 nan 0.000 0.411 253 S N 1.292 116.928 115.700 -0.108 0.000 2.614 253 S HA 0.236 4.707 4.470 0.001 0.000 0.265 253 S C 1.032 175.575 174.600 -0.095 0.000 1.303 253 S CA -0.086 58.030 58.200 -0.141 0.000 1.000 253 S CB 0.389 63.556 63.200 -0.056 0.000 0.935 253 S HN 0.437 nan 8.310 nan 0.000 0.551 254 Y N 0.561 120.864 120.300 0.004 0.000 2.128 254 Y HA -0.084 4.467 4.550 0.001 0.000 0.284 254 Y C 2.262 178.163 175.900 0.003 0.000 1.154 254 Y CA 1.310 59.414 58.100 0.007 0.000 1.149 254 Y CB -0.825 37.641 38.460 0.009 0.000 0.976 254 Y HN 0.675 nan 8.280 nan 0.000 0.505 255 I N 0.332 120.998 120.570 0.160 0.000 2.252 255 I HA -0.221 3.950 4.170 0.001 0.000 0.245 255 I C 2.012 178.167 176.117 0.062 0.000 1.102 255 I CA 1.463 62.814 61.300 0.084 0.000 1.385 255 I CB -0.596 37.438 38.000 0.056 0.000 1.064 255 I HN 0.216 nan 8.210 nan 0.000 0.414 256 E N 0.556 120.784 120.200 0.047 0.000 2.049 256 E HA -0.288 4.063 4.350 0.001 0.000 0.198 256 E C 2.246 178.879 176.600 0.055 0.000 1.007 256 E CA 1.627 58.050 56.400 0.038 0.000 0.809 256 E CB -0.465 29.242 29.700 0.011 0.000 0.749 256 E HN 0.635 nan 8.360 nan 0.000 0.450 257 A N 1.078 123.932 122.820 0.056 0.000 1.877 257 A HA -0.203 4.118 4.320 0.001 0.000 0.216 257 A C 2.155 179.786 177.584 0.077 0.000 1.186 257 A CA 1.558 53.635 52.037 0.066 0.000 0.620 257 A CB -0.520 18.522 19.000 0.069 0.000 0.822 257 A HN 0.246 nan 8.150 nan 0.000 0.443 258 M N -0.727 118.919 119.600 0.077 0.000 2.080 258 M HA -0.175 4.305 4.480 0.001 0.000 0.260 258 M C 1.970 178.300 176.300 0.051 0.000 1.068 258 M CA 1.865 57.192 55.300 0.045 0.000 1.109 258 M CB -0.238 32.369 32.600 0.012 0.000 1.342 258 M HN 0.394 nan 8.290 nan 0.000 0.405 259 E N 0.368 120.617 120.200 0.081 0.000 2.085 259 E HA -0.204 4.147 4.350 0.001 0.000 0.194 259 E C 2.081 178.854 176.600 0.289 0.000 0.994 259 E CA 1.329 57.845 56.400 0.194 0.000 0.801 259 E CB -0.490 29.331 29.700 0.202 0.000 0.743 259 E HN 0.575 nan 8.360 nan 0.000 0.453 260 L N 0.411 121.741 121.223 0.179 0.000 2.027 260 L HA -0.155 4.185 4.340 0.001 0.000 0.206 260 L C 2.570 179.514 176.870 0.124 0.000 1.074 260 L CA 1.110 56.043 54.840 0.155 0.000 0.745 260 L CB -0.451 41.667 42.059 0.099 0.000 0.898 260 L HN 0.073 nan 8.230 nan 0.000 0.433 261 A N -0.756 122.115 122.820 0.084 0.000 1.883 261 A HA -0.324 3.996 4.320 0.001 0.000 0.217 261 A C 2.167 179.743 177.584 -0.013 0.000 1.186 261 A CA 1.908 53.964 52.037 0.032 0.000 0.624 261 A CB -1.048 17.964 19.000 0.021 0.000 0.822 261 A HN 0.512 nan 8.150 nan 0.000 0.444 262 Y N -1.007 119.190 120.300 -0.173 0.000 2.224 262 Y HA -0.121 4.430 4.550 0.001 0.000 0.289 262 Y C 1.140 176.788 175.900 -0.420 0.000 1.146 262 Y CA 1.506 59.393 58.100 -0.355 0.000 1.182 262 Y CB -0.196 37.979 38.460 -0.474 0.000 0.983 262 Y HN 0.246 nan 8.280 nan 0.000 0.524 263 F N 0.029 119.991 119.950 0.020 0.000 2.663 263 F HA 0.349 4.876 4.527 0.001 0.000 0.299 263 F C 1.487 177.236 175.800 -0.085 0.000 1.143 263 F CA 0.494 58.452 58.000 -0.071 0.000 1.387 263 F CB 0.455 39.459 39.000 0.006 0.000 1.019 263 F HN 0.179 nan 8.300 nan 0.000 0.523 264 G N -0.452 108.360 108.800 0.020 0.000 2.227 264 G HA2 -0.053 3.908 3.960 0.001 0.000 0.168 264 G HA3 -0.053 3.908 3.960 0.001 0.000 0.168 264 G C 0.316 175.219 174.900 0.006 0.000 1.006 264 G CA -0.380 44.717 45.100 -0.006 0.000 0.684 264 G HN 0.504 nan 8.290 nan 0.000 0.489 265 A N 1.100 123.936 122.820 0.028 0.000 2.544 265 A HA 0.592 4.913 4.320 0.001 0.000 0.301 265 A C 1.336 178.932 177.584 0.020 0.000 1.368 265 A CA 1.149 53.206 52.037 0.033 0.000 1.045 265 A CB 0.161 19.196 19.000 0.057 0.000 1.129 265 A HN 0.374 nan 8.150 nan 0.000 0.540 266 K N 1.991 122.398 120.400 0.011 0.000 2.152 266 K HA -0.157 4.164 4.320 0.001 0.000 0.206 266 K C 1.673 178.293 176.600 0.033 0.000 1.048 266 K CA 1.841 58.136 56.287 0.013 0.000 0.933 266 K CB -0.363 32.141 32.500 0.008 0.000 0.721 266 K HN 0.745 nan 8.250 nan 0.000 0.447 267 V N -0.032 119.905 119.914 0.038 0.000 2.527 267 V HA -0.152 3.968 4.120 0.001 0.000 0.255 267 V C 1.126 177.257 176.094 0.063 0.000 1.081 267 V CA 1.323 63.653 62.300 0.050 0.000 1.092 267 V CB -0.747 31.109 31.823 0.055 0.000 0.673 267 V HN 0.112 nan 8.190 nan 0.000 0.470 268 L N 0.281 121.543 121.223 0.065 0.000 2.409 268 L HA 0.488 4.829 4.340 0.001 0.000 0.272 268 L C -0.132 176.792 176.870 0.089 0.000 0.980 268 L CA -0.636 54.256 54.840 0.087 0.000 0.826 268 L CB 1.899 44.005 42.059 0.079 0.000 1.268 268 L HN 0.218 nan 8.230 nan 0.000 0.407 269 H N 5.730 124.826 119.070 0.043 0.000 2.886 269 H HA 0.067 4.624 4.556 0.001 0.000 0.329 269 H C -1.732 173.600 175.328 0.006 0.000 1.044 269 H CA -0.967 55.096 56.048 0.026 0.000 1.456 269 H CB 1.750 31.541 29.762 0.049 0.000 1.464 269 H HN 0.372 nan 8.280 nan 0.000 0.573 270 P HA -0.170 nan 4.420 nan 0.000 0.217 270 P C 1.039 178.315 177.300 -0.039 0.000 1.148 270 P CA 1.350 64.380 63.100 -0.117 0.000 0.828 270 P CB 0.124 31.742 31.700 -0.138 0.000 0.783 271 R N -0.952 119.569 120.500 0.035 0.000 2.307 271 R HA 0.039 4.379 4.340 0.001 0.000 0.199 271 R C 1.940 178.226 176.300 -0.024 0.000 1.000 271 R CA 0.919 56.908 56.100 -0.184 0.000 1.023 271 R CB -0.710 29.119 30.300 -0.784 0.000 0.908 271 R HN 0.242 nan 8.270 nan 0.000 0.473 272 T N 1.067 115.716 114.554 0.158 0.000 2.788 272 T HA -0.107 4.243 4.350 0.001 0.000 0.268 272 T C 1.662 176.450 174.700 0.147 0.000 1.044 272 T CA 0.992 63.220 62.100 0.214 0.000 1.139 272 T CB -0.042 68.938 68.868 0.186 0.000 0.867 272 T HN 0.048 nan 8.240 nan 0.000 0.454 273 I N 1.137 121.762 120.570 0.093 0.000 2.286 273 I HA -0.035 4.135 4.170 0.001 0.000 0.245 273 I C 2.467 178.566 176.117 -0.031 0.000 1.104 273 I CA 1.013 62.355 61.300 0.070 0.000 1.397 273 I CB -0.543 37.513 38.000 0.092 0.000 1.072 273 I HN 0.231 nan 8.210 nan 0.000 0.417 274 E N 0.276 120.458 120.200 -0.029 0.000 2.065 274 E HA -0.239 4.111 4.350 0.001 0.000 0.201 274 E C -0.457 176.107 176.600 -0.059 0.000 1.016 274 E CA 1.933 58.294 56.400 -0.064 0.000 0.818 274 E CB -1.102 28.564 29.700 -0.057 0.000 0.749 274 E HN 0.410 nan 8.360 nan 0.000 0.453 275 P HA -0.096 nan 4.420 nan 0.000 0.216 275 P C 0.999 178.389 177.300 0.150 0.000 1.153 275 P CA 1.646 64.763 63.100 0.029 0.000 0.844 275 P CB 0.005 31.692 31.700 -0.021 0.000 0.787 276 A N -0.292 122.556 122.820 0.047 0.000 1.902 276 A HA -0.214 4.106 4.320 0.001 0.000 0.217 276 A C 2.318 179.735 177.584 -0.279 0.000 1.181 276 A CA 2.025 54.057 52.037 -0.007 0.000 0.623 276 A CB -1.585 17.457 19.000 0.070 0.000 0.818 276 A HN 0.134 nan 8.150 nan 0.000 0.443 277 M N 0.209 119.442 119.600 -0.612 0.000 2.080 277 M HA -0.219 4.261 4.480 0.001 0.000 0.260 277 M C 2.073 178.130 176.300 -0.404 0.000 1.068 277 M CA 2.423 57.092 55.300 -1.051 0.000 1.109 277 M CB -0.309 31.825 32.600 -0.777 0.000 1.342 277 M HN 0.675 nan 8.290 nan 0.000 0.405 278 E N -0.724 119.382 120.200 -0.157 0.000 2.427 278 E HA -0.132 4.219 4.350 0.001 0.000 0.196 278 E C 1.226 177.831 176.600 0.007 0.000 1.028 278 E CA 0.680 57.063 56.400 -0.027 0.000 0.864 278 E CB -0.118 29.611 29.700 0.048 0.000 0.813 278 E HN 0.516 nan 8.360 nan 0.000 0.514 279 K N -0.048 120.351 120.400 -0.001 0.000 2.358 279 K HA 0.138 4.459 4.320 0.001 0.000 0.200 279 K C 0.696 177.288 176.600 -0.013 0.000 1.030 279 K CA 0.412 56.673 56.287 -0.043 0.000 1.097 279 K CB 0.990 33.414 32.500 -0.126 0.000 0.862 279 K HN 0.286 nan 8.250 nan 0.000 0.534 280 G N 2.451 111.250 108.800 -0.000 0.000 2.160 280 G HA2 -0.257 3.703 3.960 0.001 0.000 0.251 280 G HA3 -0.257 3.703 3.960 0.001 0.000 0.251 280 G C 0.048 175.047 174.900 0.166 0.000 1.008 280 G CA -0.066 45.100 45.100 0.110 0.000 0.724 280 G HN 0.246 nan 8.290 nan 0.000 0.514 281 I N 2.555 123.207 120.570 0.135 0.000 2.396 281 I HA 0.260 4.431 4.170 0.001 0.000 0.289 281 I C -1.290 174.965 176.117 0.230 0.000 1.056 281 I CA -2.138 59.244 61.300 0.137 0.000 1.365 281 I CB 0.897 38.951 38.000 0.090 0.000 1.407 281 I HN -0.048 nan 8.210 nan 0.000 0.509 282 P HA 0.220 nan 4.420 nan 0.000 0.271 282 P C -0.620 176.742 177.300 0.104 0.000 1.218 282 P CA 0.034 63.204 63.100 0.116 0.000 0.780 282 P CB 1.104 32.826 31.700 0.037 0.000 0.901 283 I N 2.532 123.154 120.570 0.086 0.000 2.404 283 I HA 0.280 4.450 4.170 0.001 0.000 0.293 283 I C -0.050 176.059 176.117 -0.013 0.000 0.992 283 I CA -0.962 60.373 61.300 0.057 0.000 1.149 283 I CB 1.641 39.703 38.000 0.102 0.000 1.315 283 I HN 0.159 nan 8.210 nan 0.000 0.446 284 L N 8.336 129.530 121.223 -0.049 0.000 2.305 284 L HA 0.522 4.863 4.340 0.001 0.000 0.284 284 L C -0.739 176.021 176.870 -0.183 0.000 1.013 284 L CA -0.453 54.319 54.840 -0.114 0.000 0.819 284 L CB 1.643 43.625 42.059 -0.127 0.000 1.227 284 L HN 0.266 nan 8.230 nan 0.000 0.417 285 V N 5.802 125.614 119.914 -0.169 0.000 2.364 285 V HA 0.496 4.617 4.120 0.001 0.000 0.272 285 V C 0.194 176.117 176.094 -0.286 0.000 1.036 285 V CA -0.612 61.574 62.300 -0.189 0.000 0.880 285 V CB 0.866 32.646 31.823 -0.072 0.000 0.991 285 V HN 0.703 nan 8.190 nan 0.000 0.460 286 K N 2.955 123.053 120.400 -0.502 0.000 2.350 286 K HA 0.471 4.792 4.320 0.001 0.000 0.241 286 K C -0.705 175.678 176.600 -0.361 0.000 0.994 286 K CA -1.051 54.834 56.287 -0.671 0.000 0.839 286 K CB 1.970 33.542 32.500 -1.547 0.000 1.244 286 K HN 0.526 nan 8.250 nan 0.000 0.443 287 N N 1.161 119.775 118.700 -0.144 0.000 2.437 287 N HA 0.024 4.765 4.740 0.001 0.000 0.259 287 N C 0.610 176.358 175.510 0.396 0.000 0.983 287 N CA 0.037 53.185 53.050 0.164 0.000 0.937 287 N CB 1.530 40.133 38.487 0.192 0.000 1.122 287 N HN 0.662 nan 8.380 nan 0.000 0.499 288 T N 1.534 116.377 114.554 0.481 0.000 3.007 288 T HA -0.021 4.330 4.350 0.001 0.000 0.270 288 T C 1.024 175.768 174.700 0.074 0.000 1.107 288 T CA 1.097 63.447 62.100 0.416 0.000 1.118 288 T CB -0.376 68.623 68.868 0.218 0.000 0.889 288 T HN 0.394 nan 8.240 nan 0.000 0.506 289 F N 0.639 120.759 119.950 0.284 0.000 2.765 289 F HA 0.513 5.040 4.527 0.001 0.000 0.302 289 F C 0.996 176.881 175.800 0.142 0.000 1.111 289 F CA -0.377 57.704 58.000 0.134 0.000 1.359 289 F CB 0.344 39.387 39.000 0.071 0.000 1.097 289 F HN 0.178 nan 8.300 nan 0.000 0.577 290 E N -0.498 119.895 120.200 0.322 0.000 3.544 290 E HA 0.250 4.601 4.350 0.001 0.000 0.264 290 E C -2.168 174.581 176.600 0.248 0.000 1.225 290 E CA -1.670 54.875 56.400 0.243 0.000 1.045 290 E CB 0.338 30.157 29.700 0.198 0.000 1.338 290 E HN -0.093 nan 8.360 nan 0.000 0.395 291 P HA -0.075 nan 4.420 nan 0.000 0.226 291 P C 0.671 178.119 177.300 0.247 0.000 1.153 291 P CA 0.719 64.065 63.100 0.409 0.000 0.777 291 P CB 0.495 32.445 31.700 0.416 0.000 0.794 292 E N -0.412 119.889 120.200 0.169 0.000 2.371 292 E HA 0.005 4.355 4.350 0.001 0.000 0.194 292 E C 0.900 177.544 176.600 0.073 0.000 1.012 292 E CA 0.321 56.788 56.400 0.112 0.000 0.860 292 E CB -0.625 29.131 29.700 0.093 0.000 0.811 292 E HN 0.175 nan 8.360 nan 0.000 0.502 293 S N 0.906 116.649 115.700 0.071 0.000 2.560 293 S HA -0.027 4.444 4.470 0.001 0.000 0.284 293 S C 1.023 175.617 174.600 -0.011 0.000 1.327 293 S CA -0.130 58.092 58.200 0.036 0.000 1.055 293 S CB 1.020 64.253 63.200 0.054 0.000 0.868 293 S HN 0.057 nan 8.310 nan 0.000 0.506 294 E N 2.815 123.001 120.200 -0.023 0.000 2.285 294 E HA 0.170 4.520 4.350 0.001 0.000 0.194 294 E C 1.336 177.885 176.600 -0.085 0.000 0.997 294 E CA 0.504 56.875 56.400 -0.049 0.000 0.845 294 E CB -0.272 29.405 29.700 -0.038 0.000 0.782 294 E HN 1.009 nan 8.360 nan 0.000 0.491 295 G N 0.281 109.033 108.800 -0.080 0.000 2.562 295 G HA2 -0.261 3.699 3.960 0.001 0.000 0.250 295 G HA3 -0.261 3.699 3.960 0.001 0.000 0.250 295 G C -0.193 174.652 174.900 -0.090 0.000 1.269 295 G CA -0.125 44.918 45.100 -0.094 0.000 0.919 295 G HN 0.183 nan 8.290 nan 0.000 0.574 296 T N 0.616 115.116 114.554 -0.089 0.000 2.792 296 T HA 0.556 4.907 4.350 0.001 0.000 0.280 296 T C -0.408 174.242 174.700 -0.083 0.000 0.990 296 T CA -0.249 61.804 62.100 -0.078 0.000 0.960 296 T CB 1.714 70.552 68.868 -0.051 0.000 0.939 296 T HN 0.872 nan 8.240 nan 0.000 0.439 297 L N 4.682 125.856 121.223 -0.082 0.000 2.282 297 L HA 0.647 4.988 4.340 0.001 0.000 0.288 297 L C -1.084 175.723 176.870 -0.106 0.000 1.033 297 L CA -0.465 54.324 54.840 -0.085 0.000 0.807 297 L CB 0.584 42.597 42.059 -0.078 0.000 1.209 297 L HN 0.622 nan 8.230 nan 0.000 0.423 298 I N 5.166 125.665 120.570 -0.118 0.000 2.382 298 I HA 0.532 4.703 4.170 0.001 0.000 0.286 298 I C 0.102 175.976 176.117 -0.406 0.000 1.002 298 I CA -0.127 61.052 61.300 -0.201 0.000 1.135 298 I CB 1.591 39.537 38.000 -0.091 0.000 1.288 298 I HN 0.784 nan 8.210 nan 0.000 0.448 299 T N 0.178 114.364 114.554 -0.614 0.000 2.618 299 T HA 0.323 4.673 4.350 0.001 0.000 0.286 299 T C 0.452 174.628 174.700 -0.872 0.000 1.027 299 T CA -0.713 60.942 62.100 -0.743 0.000 1.063 299 T CB 1.007 69.713 68.868 -0.270 0.000 1.440 299 T HN 0.427 nan 8.240 nan 0.000 0.505 300 N N 0.614 119.112 118.700 -0.337 0.000 2.409 300 N HA 0.065 4.805 4.740 0.001 0.000 0.179 300 N C -0.536 174.931 175.510 -0.073 0.000 1.032 300 N CA 0.334 53.349 53.050 -0.059 0.000 0.898 300 N CB -0.145 38.401 38.487 0.099 0.000 0.971 300 N HN 0.530 nan 8.380 nan 0.000 0.441 301 D N 1.095 121.432 120.400 -0.105 0.000 2.531 301 D HA -0.031 4.609 4.640 0.001 0.000 0.239 301 D C -0.244 176.015 176.300 -0.069 0.000 1.144 301 D CA 0.800 54.758 54.000 -0.071 0.000 0.869 301 D CB 0.472 41.228 40.800 -0.074 0.000 1.160 301 D HN 0.173 nan 8.370 nan 0.000 0.484 302 M N 2.147 121.723 119.600 -0.040 0.000 2.259 302 M HA 0.273 4.753 4.480 0.001 0.000 0.304 302 M C -0.968 175.316 176.300 -0.027 0.000 1.019 302 M CA -0.542 54.738 55.300 -0.033 0.000 0.922 302 M CB 1.908 34.497 32.600 -0.018 0.000 1.600 302 M HN 0.242 nan 8.290 nan 0.000 0.433 303 E N 4.252 124.434 120.200 -0.030 0.000 2.292 303 E HA 0.451 4.802 4.350 0.001 0.000 0.272 303 E C -1.397 175.188 176.600 -0.024 0.000 0.881 303 E CA -0.631 55.754 56.400 -0.025 0.000 0.754 303 E CB 2.145 31.829 29.700 -0.027 0.000 1.201 303 E HN 0.736 nan 8.360 nan 0.000 0.425 304 M N 1.978 121.566 119.600 -0.020 0.000 2.240 304 M HA 0.181 4.661 4.480 0.001 0.000 0.333 304 M C 0.217 176.505 176.300 -0.020 0.000 1.110 304 M CA 0.021 55.309 55.300 -0.020 0.000 1.173 304 M CB 1.079 33.669 32.600 -0.017 0.000 1.458 304 M HN 0.563 nan 8.290 nan 0.000 0.458 305 S N 0.002 115.690 115.700 -0.020 0.000 2.690 305 S HA 0.287 4.758 4.470 0.001 0.000 0.291 305 S C 0.359 174.956 174.600 -0.005 0.000 1.138 305 S CA -0.988 57.203 58.200 -0.014 0.000 1.013 305 S CB 1.324 64.514 63.200 -0.016 0.000 1.053 305 S HN 0.667 nan 8.310 nan 0.000 0.539 306 D N 1.782 122.182 120.400 -0.001 0.000 2.103 306 D HA -0.088 4.553 4.640 0.001 0.000 0.190 306 D C 1.199 177.513 176.300 0.022 0.000 0.997 306 D CA 1.913 55.917 54.000 0.006 0.000 0.833 306 D CB -0.599 40.203 40.800 0.004 0.000 0.961 306 D HN 0.738 nan 8.370 nan 0.000 0.447 307 S N -0.157 115.567 115.700 0.040 0.000 2.610 307 S HA 0.443 4.914 4.470 0.001 0.000 0.273 307 S C 0.047 174.680 174.600 0.055 0.000 1.274 307 S CA -0.764 57.493 58.200 0.095 0.000 1.023 307 S CB 1.476 64.773 63.200 0.161 0.000 0.962 307 S HN 0.062 nan 8.310 nan 0.000 0.523 308 I N 2.331 122.920 120.570 0.033 0.000 2.371 308 I HA 0.538 4.709 4.170 0.001 0.000 0.282 308 I C -1.096 174.885 176.117 -0.227 0.000 1.031 308 I CA -0.394 60.862 61.300 -0.073 0.000 1.180 308 I CB 1.179 39.142 38.000 -0.062 0.000 1.336 308 I HN 0.540 nan 8.210 nan 0.000 0.467 309 V N 6.067 125.866 119.914 -0.191 0.000 3.408 309 V HA -0.079 4.041 4.120 0.001 0.000 0.230 309 V C 0.306 176.331 176.094 -0.115 0.000 1.817 309 V CA -0.803 61.340 62.300 -0.262 0.000 0.877 309 V CB 0.686 32.139 31.823 -0.618 0.000 1.125 309 V HN 0.755 nan 8.190 nan 0.000 0.556 310 K N 2.050 122.404 120.400 -0.077 0.000 2.334 310 K HA 0.692 5.012 4.320 0.001 0.000 0.195 310 K C 0.484 177.077 176.600 -0.012 0.000 1.045 310 K CA 1.109 57.373 56.287 -0.037 0.000 1.004 310 K CB 1.237 33.719 32.500 -0.031 0.000 0.837 310 K HN 0.914 nan 8.250 nan 0.000 0.510 311 A N 0.898 123.712 122.820 -0.011 0.000 2.608 311 A HA 0.635 4.956 4.320 0.001 0.000 0.292 311 A C -1.707 175.898 177.584 0.036 0.000 1.066 311 A CA -0.765 51.296 52.037 0.041 0.000 0.676 311 A CB 1.097 20.129 19.000 0.054 0.000 1.277 311 A HN 0.076 nan 8.150 nan 0.000 0.413 312 I N 1.615 122.236 120.570 0.085 0.000 2.466 312 I HA 0.542 4.713 4.170 0.001 0.000 0.289 312 I C 0.240 176.390 176.117 0.055 0.000 1.026 312 I CA -0.272 61.067 61.300 0.065 0.000 1.078 312 I CB 2.378 40.449 38.000 0.119 0.000 1.249 312 I HN 0.731 nan 8.210 nan 0.000 0.429 313 S N 2.819 118.533 115.700 0.023 0.000 2.634 313 S HA 0.927 5.397 4.470 0.001 0.000 0.296 313 S C -0.424 174.168 174.600 -0.013 0.000 1.104 313 S CA -0.661 57.555 58.200 0.027 0.000 0.920 313 S CB 2.135 65.375 63.200 0.066 0.000 1.111 313 S HN 0.670 nan 8.310 nan 0.000 0.493 314 T N -1.354 113.196 114.554 -0.008 0.000 2.903 314 T HA 0.747 5.097 4.350 0.001 0.000 0.299 314 T C -0.912 173.779 174.700 -0.016 0.000 1.093 314 T CA -0.883 61.197 62.100 -0.034 0.000 1.002 314 T CB 0.777 69.622 68.868 -0.038 0.000 1.127 314 T HN 0.680 nan 8.240 nan 0.000 0.488 315 I N 2.058 122.615 120.570 -0.022 0.000 2.436 315 I HA 0.472 4.643 4.170 0.001 0.000 0.289 315 I C 0.983 177.085 176.117 -0.025 0.000 1.010 315 I CA -0.943 60.342 61.300 -0.025 0.000 1.098 315 I CB 2.282 40.264 38.000 -0.030 0.000 1.266 315 I HN 0.775 nan 8.210 nan 0.000 0.434 316 K N 3.407 123.795 120.400 -0.021 0.000 2.202 316 K HA 0.160 4.480 4.320 0.001 0.000 0.201 316 K C 0.584 177.178 176.600 -0.011 0.000 1.051 316 K CA 0.493 56.772 56.287 -0.013 0.000 0.977 316 K CB 0.384 32.878 32.500 -0.010 0.000 0.792 316 K HN 0.509 nan 8.250 nan 0.000 0.469 317 N N 2.112 120.803 118.700 -0.014 0.000 3.243 317 N HA 0.045 4.785 4.740 0.001 0.000 0.310 317 N C -0.834 174.668 175.510 -0.012 0.000 1.313 317 N CA 0.106 53.150 53.050 -0.010 0.000 1.204 317 N CB 0.522 39.003 38.487 -0.010 0.000 1.483 317 N HN 0.068 nan 8.380 nan 0.000 0.553 318 V N -2.918 116.991 119.914 -0.008 0.000 3.040 318 V HA 1.001 5.121 4.120 0.001 0.000 0.312 318 V C -0.329 175.768 176.094 0.005 0.000 1.115 318 V CA -1.408 60.890 62.300 -0.004 0.000 0.998 318 V CB 1.778 33.598 31.823 -0.006 0.000 1.042 318 V HN 0.147 nan 8.190 nan 0.000 0.433 319 A N 2.341 125.167 122.820 0.010 0.000 2.413 319 A HA 0.887 5.208 4.320 0.001 0.000 0.307 319 A C -1.073 176.521 177.584 0.016 0.000 1.087 319 A CA -0.750 51.296 52.037 0.014 0.000 0.750 319 A CB 1.699 20.708 19.000 0.016 0.000 1.296 319 A HN 1.596 nan 8.150 nan 0.000 0.423 320 L N 2.515 123.747 121.223 0.016 0.000 2.257 320 L HA 0.596 4.937 4.340 0.001 0.000 0.290 320 L C -0.991 175.880 176.870 0.001 0.000 1.044 320 L CA 0.057 54.904 54.840 0.012 0.000 0.810 320 L CB 0.110 42.177 42.059 0.013 0.000 1.193 320 L HN 0.519 nan 8.230 nan 0.000 0.425 321 I N 5.608 126.173 120.570 -0.008 0.000 2.330 321 I HA 0.325 4.496 4.170 0.001 0.000 0.289 321 I C -0.303 175.762 176.117 -0.086 0.000 1.001 321 I CA -0.387 60.895 61.300 -0.029 0.000 1.193 321 I CB 0.833 38.824 38.000 -0.015 0.000 1.345 321 I HN 0.589 nan 8.210 nan 0.000 0.461 322 N N 7.901 126.513 118.700 -0.146 0.000 2.444 322 N HA 0.488 5.229 4.740 0.001 0.000 0.262 322 N C -0.694 174.543 175.510 -0.455 0.000 0.974 322 N CA -0.393 52.455 53.050 -0.337 0.000 0.933 322 N CB 2.244 40.467 38.487 -0.441 0.000 1.137 322 N HN 0.436 nan 8.380 nan 0.000 0.498 323 I N 2.855 123.178 120.570 -0.411 0.000 2.353 323 I HA 0.304 4.474 4.170 0.001 0.000 0.293 323 I C -0.327 175.523 176.117 -0.445 0.000 0.992 323 I CA -0.580 60.526 61.300 -0.324 0.000 1.268 323 I CB 0.552 38.417 38.000 -0.224 0.000 1.387 323 I HN 0.228 nan 8.210 nan 0.000 0.478 324 F N 3.852 123.745 119.950 -0.095 0.000 2.410 324 F HA 0.495 5.022 4.527 0.001 0.000 0.349 324 F C 1.106 176.837 175.800 -0.114 0.000 1.117 324 F CA -0.485 57.465 58.000 -0.083 0.000 1.104 324 F CB 1.174 40.137 39.000 -0.062 0.000 1.122 324 F HN 0.439 nan 8.300 nan 0.000 0.483 325 G N 0.977 109.805 108.800 0.047 0.000 2.599 325 G HA2 0.446 4.406 3.960 0.001 0.000 0.264 325 G HA3 0.446 4.406 3.960 0.001 0.000 0.264 325 G C 0.036 174.948 174.900 0.020 0.000 1.200 325 G CA -0.500 44.592 45.100 -0.014 0.000 0.896 325 G HN 0.849 nan 8.290 nan 0.000 0.536 326 A N -0.044 122.772 122.820 -0.005 0.000 2.640 326 A HA 0.653 4.973 4.320 0.001 0.000 0.282 326 A C 1.224 178.830 177.584 0.036 0.000 1.357 326 A CA 0.932 52.977 52.037 0.013 0.000 0.946 326 A CB -1.030 17.971 19.000 0.001 0.000 1.065 326 A HN 2.429 nan 8.150 nan 0.000 0.541 327 G N -0.418 108.404 108.800 0.036 0.000 2.416 327 G HA2 -0.108 3.853 3.960 0.001 0.000 0.203 327 G HA3 -0.108 3.853 3.960 0.001 0.000 0.203 327 G C -0.102 174.820 174.900 0.036 0.000 1.227 327 G CA -0.359 44.766 45.100 0.042 0.000 1.041 327 G HN 0.307 nan 8.290 nan 0.000 0.546 328 M N 2.049 121.673 119.600 0.040 0.000 3.237 328 M HA 0.328 4.809 4.480 0.001 0.000 0.266 328 M C 1.447 177.774 176.300 0.044 0.000 1.456 328 M CA 0.085 55.407 55.300 0.035 0.000 1.593 328 M CB 0.335 32.952 32.600 0.028 0.000 1.129 328 M HN 0.929 nan 8.290 nan 0.000 0.547 329 V N -1.646 118.293 119.914 0.040 0.000 3.578 329 V HA 0.578 4.699 4.120 0.001 0.000 0.290 329 V C 0.595 176.715 176.094 0.044 0.000 1.376 329 V CA 0.113 62.440 62.300 0.045 0.000 1.083 329 V CB -0.380 31.467 31.823 0.040 0.000 0.911 329 V HN 0.853 nan 8.190 nan 0.000 0.433 330 G N 0.341 109.165 108.800 0.040 0.000 3.380 330 G HA2 -0.017 3.944 3.960 0.001 0.000 0.685 330 G HA3 -0.017 3.944 3.960 0.001 0.000 0.685 330 G C 0.027 174.953 174.900 0.044 0.000 1.136 330 G CA 0.228 45.352 45.100 0.042 0.000 1.011 330 G HN 1.283 nan 8.290 nan 0.000 0.471 331 V N 1.912 121.850 119.914 0.041 0.000 2.358 331 V HA -0.084 4.036 4.120 0.001 0.000 0.246 331 V C 2.729 178.862 176.094 0.065 0.000 1.047 331 V CA 3.440 65.767 62.300 0.046 0.000 1.035 331 V CB -0.236 31.612 31.823 0.040 0.000 0.658 331 V HN 2.002 nan 8.190 nan 0.000 0.452 332 S N 0.588 116.326 115.700 0.063 0.000 2.387 332 S HA 0.040 4.510 4.470 0.001 0.000 0.226 332 S C 2.156 176.805 174.600 0.082 0.000 1.026 332 S CA 1.249 59.494 58.200 0.075 0.000 0.972 332 S CB -1.177 62.058 63.200 0.059 0.000 0.814 332 S HN 0.843 nan 8.310 nan 0.000 0.477 333 G N 1.142 109.984 108.800 0.070 0.000 2.402 333 G HA2 -0.164 3.796 3.960 0.001 0.000 0.216 333 G HA3 -0.164 3.796 3.960 0.001 0.000 0.216 333 G C 1.597 176.555 174.900 0.096 0.000 1.162 333 G CA 1.428 46.572 45.100 0.074 0.000 0.777 333 G HN 0.619 nan 8.290 nan 0.000 0.539 334 T N 0.189 114.799 114.554 0.094 0.000 2.896 334 T HA 0.242 4.592 4.350 0.001 0.000 0.263 334 T C 2.620 177.383 174.700 0.104 0.000 1.050 334 T CA 1.732 63.902 62.100 0.116 0.000 1.140 334 T CB -0.351 68.556 68.868 0.064 0.000 0.877 334 T HN 0.273 nan 8.240 nan 0.000 0.457 335 A N 1.247 124.121 122.820 0.089 0.000 1.933 335 A HA 0.290 4.610 4.320 0.001 0.000 0.218 335 A C 2.792 180.492 177.584 0.194 0.000 1.175 335 A CA 1.918 54.022 52.037 0.111 0.000 0.628 335 A CB -1.367 17.784 19.000 0.252 0.000 0.814 335 A HN 0.752 nan 8.150 nan 0.000 0.444 336 A N -0.244 122.681 122.820 0.174 0.000 1.908 336 A HA -0.186 4.135 4.320 0.001 0.000 0.218 336 A C 2.274 179.925 177.584 0.112 0.000 1.181 336 A CA 1.665 53.796 52.037 0.156 0.000 0.627 336 A CB -0.420 18.642 19.000 0.102 0.000 0.818 336 A HN 0.560 nan 8.150 nan 0.000 0.445 337 R N -0.894 119.656 120.500 0.083 0.000 2.075 337 R HA 0.101 4.441 4.340 0.001 0.000 0.226 337 R C 2.033 178.333 176.300 -0.001 0.000 1.114 337 R CA 1.165 57.264 56.100 -0.002 0.000 0.972 337 R CB -0.390 29.875 30.300 -0.057 0.000 0.869 337 R HN 0.551 nan 8.270 nan 0.000 0.437 338 I N 0.146 120.765 120.570 0.081 0.000 2.099 338 I HA -0.312 3.859 4.170 0.001 0.000 0.239 338 I C 1.703 177.717 176.117 -0.171 0.000 1.066 338 I CA 1.600 62.865 61.300 -0.058 0.000 1.324 338 I CB -0.206 37.591 38.000 -0.338 0.000 1.037 338 I HN 0.057 nan 8.210 nan 0.000 0.401 339 F N 0.788 120.782 119.950 0.075 0.000 2.325 339 F HA -0.125 4.403 4.527 0.001 0.000 0.299 339 F C 2.404 178.220 175.800 0.026 0.000 1.090 339 F CA 1.041 59.068 58.000 0.046 0.000 1.392 339 F CB -0.703 38.321 39.000 0.039 0.000 1.053 339 F HN -0.027 nan 8.300 nan 0.000 0.521 340 K N 0.800 121.290 120.400 0.150 0.000 1.991 340 K HA -0.199 4.122 4.320 0.001 0.000 0.212 340 K C 2.377 179.001 176.600 0.040 0.000 1.049 340 K CA 1.489 57.818 56.287 0.071 0.000 0.932 340 K CB -0.433 32.078 32.500 0.017 0.000 0.717 340 K HN 0.147 nan 8.250 nan 0.000 0.441 341 A N 1.172 123.992 122.820 0.000 0.000 1.873 341 A HA -0.203 4.118 4.320 0.001 0.000 0.218 341 A C 2.068 179.672 177.584 0.034 0.000 1.193 341 A CA 1.641 53.673 52.037 -0.009 0.000 0.629 341 A CB -0.786 18.192 19.000 -0.036 0.000 0.826 341 A HN 0.330 nan 8.150 nan 0.000 0.447 342 L N -0.282 120.979 121.223 0.064 0.000 2.046 342 L HA -0.080 4.260 4.340 0.001 0.000 0.208 342 L C 2.738 179.667 176.870 0.098 0.000 1.077 342 L CA 1.911 56.807 54.840 0.093 0.000 0.747 342 L CB -1.676 40.473 42.059 0.150 0.000 0.896 342 L HN 0.428 nan 8.230 nan 0.000 0.432 343 G N -1.213 107.654 108.800 0.112 0.000 2.433 343 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 343 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 343 G C 1.491 176.422 174.900 0.051 0.000 1.186 343 G CA 0.570 45.719 45.100 0.082 0.000 0.779 343 G HN 0.423 nan 8.290 nan 0.000 0.543 344 E N -0.071 120.154 120.200 0.041 0.000 2.187 344 E HA -0.181 4.169 4.350 0.001 0.000 0.199 344 E C 2.169 178.785 176.600 0.027 0.000 1.004 344 E CA 1.245 57.660 56.400 0.025 0.000 0.813 344 E CB 0.013 29.721 29.700 0.013 0.000 0.736 344 E HN 0.403 nan 8.360 nan 0.000 0.468 345 E N 0.154 120.375 120.200 0.034 0.000 2.474 345 E HA -0.015 4.335 4.350 0.001 0.000 0.195 345 E C -0.561 176.062 176.600 0.038 0.000 1.039 345 E CA 0.103 56.523 56.400 0.033 0.000 0.881 345 E CB 0.182 29.902 29.700 0.033 0.000 0.970 345 E HN 0.138 nan 8.360 nan 0.000 0.486 346 E N -0.876 119.349 120.200 0.042 0.000 2.513 346 E HA -0.167 4.183 4.350 0.001 0.000 0.257 346 E C -0.899 175.728 176.600 0.044 0.000 1.098 346 E CA 0.286 56.710 56.400 0.041 0.000 0.752 346 E CB -1.733 27.988 29.700 0.035 0.000 1.324 346 E HN -0.002 nan 8.360 nan 0.000 0.403 347 V N 1.734 121.681 119.914 0.055 0.000 2.508 347 V HA 0.024 4.144 4.120 0.001 0.000 0.281 347 V C 0.917 177.047 176.094 0.060 0.000 1.041 347 V CA -0.007 62.327 62.300 0.057 0.000 1.016 347 V CB 1.236 33.099 31.823 0.067 0.000 0.984 347 V HN 0.304 nan 8.190 nan 0.000 0.478 348 N N 4.407 123.132 118.700 0.042 0.000 2.415 348 N HA 0.226 4.966 4.740 0.001 0.000 0.246 348 N C -0.647 174.886 175.510 0.038 0.000 1.078 348 N CA -0.375 52.693 53.050 0.029 0.000 0.942 348 N CB 1.473 39.960 38.487 0.000 0.000 1.140 348 N HN 0.549 nan 8.380 nan 0.000 0.501 349 V N 5.854 125.807 119.914 0.064 0.000 2.407 349 V HA 0.244 4.365 4.120 0.001 0.000 0.278 349 V C 0.838 176.973 176.094 0.069 0.000 1.037 349 V CA -0.475 61.877 62.300 0.086 0.000 0.900 349 V CB 0.983 32.908 31.823 0.169 0.000 0.983 349 V HN 0.592 nan 8.190 nan 0.000 0.459 350 I N 5.575 126.184 120.570 0.065 0.000 3.081 350 I HA 0.324 4.494 4.170 0.001 0.000 0.274 350 I C 0.121 176.360 176.117 0.202 0.000 1.178 350 I CA 0.762 62.103 61.300 0.068 0.000 1.460 350 I CB 0.065 38.073 38.000 0.013 0.000 1.137 350 I HN 0.420 nan 8.210 nan 0.000 0.443 351 L N 0.467 121.788 121.223 0.164 0.000 2.472 351 L HA 0.538 4.879 4.340 0.001 0.000 0.260 351 L C -0.858 176.092 176.870 0.133 0.000 0.963 351 L CA -0.347 54.594 54.840 0.167 0.000 0.829 351 L CB 2.683 44.828 42.059 0.144 0.000 1.348 351 L HN -0.123 nan 8.230 nan 0.000 0.408 352 I N 1.301 121.943 120.570 0.120 0.000 2.533 352 I HA 0.608 4.779 4.170 0.001 0.000 0.290 352 I C -0.580 175.593 176.117 0.092 0.000 1.056 352 I CA -0.427 60.948 61.300 0.126 0.000 1.057 352 I CB 2.205 40.287 38.000 0.137 0.000 1.240 352 I HN 0.490 nan 8.210 nan 0.000 0.423 353 S N 4.587 120.333 115.700 0.078 0.000 2.571 353 S HA 0.672 5.143 4.470 0.001 0.000 0.284 353 S C -1.322 173.301 174.600 0.039 0.000 1.128 353 S CA -0.482 57.748 58.200 0.050 0.000 0.970 353 S CB 1.506 64.723 63.200 0.029 0.000 1.039 353 S HN 0.590 nan 8.310 nan 0.000 0.485 354 Q N 2.625 122.447 119.800 0.037 0.000 2.263 354 Q HA 0.684 5.024 4.340 0.001 0.000 0.266 354 Q C -0.773 175.237 176.000 0.017 0.000 1.002 354 Q CA -0.537 55.280 55.803 0.023 0.000 0.790 354 Q CB 1.396 30.159 28.738 0.041 0.000 1.272 354 Q HN 0.799 nan 8.270 nan 0.000 0.435 355 G N 1.636 110.438 108.800 0.004 0.000 3.430 355 G HA2 0.485 4.446 3.960 0.001 0.000 0.298 355 G HA3 0.485 4.446 3.960 0.001 0.000 0.298 355 G C -1.480 173.419 174.900 -0.001 0.000 2.115 355 G CA 0.017 45.119 45.100 0.003 0.000 0.686 355 G HN 0.932 nan 8.290 nan 0.000 0.404 356 S N 0.616 116.317 115.700 0.002 0.000 2.605 356 S HA 0.456 4.926 4.470 0.001 0.000 0.279 356 S C 1.320 175.925 174.600 0.008 0.000 1.166 356 S CA 0.508 58.710 58.200 0.004 0.000 0.975 356 S CB 1.109 64.307 63.200 -0.003 0.000 1.111 356 S HN 1.335 nan 8.310 nan 0.000 0.465 357 S N 3.204 118.910 115.700 0.010 0.000 2.440 357 S HA -0.074 4.396 4.470 0.001 0.000 0.238 357 S C 0.973 175.583 174.600 0.016 0.000 1.010 357 S CA 1.230 59.437 58.200 0.011 0.000 0.972 357 S CB -0.530 62.675 63.200 0.007 0.000 0.774 357 S HN 0.831 nan 8.310 nan 0.000 0.501 358 E N 0.587 120.800 120.200 0.022 0.000 2.478 358 E HA 0.061 4.411 4.350 0.001 0.000 0.194 358 E C -0.228 176.385 176.600 0.022 0.000 1.045 358 E CA 0.465 56.884 56.400 0.031 0.000 0.868 358 E CB -0.175 29.558 29.700 0.055 0.000 0.885 358 E HN 0.596 nan 8.360 nan 0.000 0.505 359 T N 1.359 115.918 114.554 0.009 0.000 4.358 359 T HA -0.137 4.213 4.350 0.001 0.000 0.326 359 T C -0.169 174.511 174.700 -0.032 0.000 0.793 359 T CA 0.331 62.428 62.100 -0.005 0.000 1.973 359 T CB -1.659 67.208 68.868 -0.002 0.000 1.915 359 T HN 0.188 nan 8.240 nan 0.000 0.920 360 N N 0.716 119.394 118.700 -0.036 0.000 2.482 360 N HA 0.663 5.404 4.740 0.001 0.000 0.260 360 N C 0.010 175.454 175.510 -0.109 0.000 1.236 360 N CA -0.289 52.698 53.050 -0.105 0.000 0.938 360 N CB 0.755 39.173 38.487 -0.116 0.000 1.128 360 N HN 0.654 nan 8.380 nan 0.000 0.448 361 I N -0.351 120.123 120.570 -0.160 0.000 2.692 361 I HA 0.212 4.383 4.170 0.001 0.000 0.293 361 I C -0.952 175.089 176.117 -0.126 0.000 1.200 361 I CA -0.423 60.816 61.300 -0.101 0.000 1.036 361 I CB 1.494 39.455 38.000 -0.064 0.000 1.258 361 I HN 0.273 nan 8.210 nan 0.000 0.421 362 S N 7.289 122.950 115.700 -0.065 0.000 2.462 362 S HA 0.722 5.192 4.470 0.001 0.000 0.294 362 S C -0.759 173.850 174.600 0.014 0.000 1.144 362 S CA -0.542 57.627 58.200 -0.052 0.000 1.088 362 S CB 1.127 64.304 63.200 -0.039 0.000 1.009 362 S HN 0.373 nan 8.310 nan 0.000 0.484 363 L N 2.763 123.993 121.223 0.013 0.000 2.436 363 L HA 0.583 4.924 4.340 0.001 0.000 0.268 363 L C -1.039 175.861 176.870 0.050 0.000 0.974 363 L CA -0.977 53.901 54.840 0.064 0.000 0.826 363 L CB 1.940 44.042 42.059 0.072 0.000 1.291 363 L HN 0.306 nan 8.230 nan 0.000 0.406 364 V N 3.465 123.421 119.914 0.069 0.000 2.394 364 V HA 0.556 4.677 4.120 0.001 0.000 0.282 364 V C 0.057 176.183 176.094 0.054 0.000 1.031 364 V CA -0.557 61.775 62.300 0.053 0.000 0.881 364 V CB 1.880 33.737 31.823 0.057 0.000 0.982 364 V HN 0.540 nan 8.190 nan 0.000 0.451 365 V N 1.739 121.675 119.914 0.036 0.000 3.074 365 V HA 0.681 4.802 4.120 0.001 0.000 0.314 365 V C 0.100 176.200 176.094 0.010 0.000 1.117 365 V CA -0.813 61.505 62.300 0.030 0.000 1.014 365 V CB 1.965 33.812 31.823 0.040 0.000 1.057 365 V HN 0.658 nan 8.190 nan 0.000 0.438 366 S N 0.988 116.687 115.700 -0.002 0.000 2.546 366 S HA 0.040 4.510 4.470 0.001 0.000 0.290 366 S C 1.116 175.719 174.600 0.004 0.000 1.290 366 S CA 0.618 58.812 58.200 -0.009 0.000 1.069 366 S CB 0.464 63.657 63.200 -0.013 0.000 0.846 366 S HN 1.026 nan 8.310 nan 0.000 0.495 367 E N 2.167 122.369 120.200 0.002 0.000 2.160 367 E HA -0.220 4.131 4.350 0.001 0.000 0.195 367 E C 1.905 178.512 176.600 0.012 0.000 0.991 367 E CA 1.305 57.710 56.400 0.008 0.000 0.810 367 E CB 0.054 29.758 29.700 0.006 0.000 0.742 367 E HN 0.797 nan 8.360 nan 0.000 0.466 368 E N 0.151 120.359 120.200 0.012 0.000 2.338 368 E HA -0.186 4.165 4.350 0.001 0.000 0.197 368 E C 0.610 177.222 176.600 0.020 0.000 1.007 368 E CA 0.925 57.335 56.400 0.017 0.000 0.849 368 E CB 0.015 29.727 29.700 0.019 0.000 0.774 368 E HN 0.233 nan 8.360 nan 0.000 0.506 369 D N 0.759 121.172 120.400 0.021 0.000 2.339 369 D HA 0.060 4.701 4.640 0.001 0.000 0.217 369 D C 1.789 178.105 176.300 0.027 0.000 1.050 369 D CA 0.003 54.018 54.000 0.026 0.000 0.856 369 D CB 0.544 41.360 40.800 0.028 0.000 0.922 369 D HN 0.015 nan 8.370 nan 0.000 0.518 370 V N 1.151 121.079 119.914 0.024 0.000 2.255 370 V HA -0.247 3.874 4.120 0.001 0.000 0.247 370 V C 1.827 177.936 176.094 0.025 0.000 1.051 370 V CA 1.783 64.098 62.300 0.024 0.000 1.018 370 V CB -0.224 31.611 31.823 0.021 0.000 0.641 370 V HN 0.114 nan 8.190 nan 0.000 0.445 371 D N -0.340 120.074 120.400 0.024 0.000 2.144 371 D HA -0.147 4.493 4.640 0.001 0.000 0.199 371 D C 2.252 178.568 176.300 0.026 0.000 0.984 371 D CA 1.123 55.137 54.000 0.024 0.000 0.834 371 D CB -0.217 40.596 40.800 0.021 0.000 0.955 371 D HN 0.401 nan 8.370 nan 0.000 0.465 372 K N 0.475 120.891 120.400 0.027 0.000 2.097 372 K HA -0.052 4.269 4.320 0.001 0.000 0.206 372 K C 2.075 178.695 176.600 0.032 0.000 1.049 372 K CA 1.153 57.458 56.287 0.029 0.000 0.933 372 K CB -0.044 32.474 32.500 0.031 0.000 0.717 372 K HN 0.030 nan 8.250 nan 0.000 0.442 373 A N 1.123 123.963 122.820 0.034 0.000 1.877 373 A HA -0.138 4.183 4.320 0.001 0.000 0.216 373 A C 2.089 179.696 177.584 0.039 0.000 1.186 373 A CA 1.322 53.381 52.037 0.037 0.000 0.620 373 A CB -0.663 18.357 19.000 0.034 0.000 0.822 373 A HN 0.164 nan 8.150 nan 0.000 0.443 374 L N -0.673 120.572 121.223 0.036 0.000 2.093 374 L HA -0.161 4.180 4.340 0.001 0.000 0.208 374 L C 2.569 179.466 176.870 0.044 0.000 1.085 374 L CA 1.736 56.600 54.840 0.041 0.000 0.755 374 L CB -0.532 41.548 42.059 0.036 0.000 0.904 374 L HN 0.428 nan 8.230 nan 0.000 0.435 375 K N 0.805 121.226 120.400 0.036 0.000 2.020 375 K HA -0.257 4.063 4.320 0.001 0.000 0.212 375 K C 2.177 178.797 176.600 0.033 0.000 1.050 375 K CA 1.819 58.125 56.287 0.032 0.000 0.929 375 K CB -0.190 32.326 32.500 0.026 0.000 0.714 375 K HN 0.284 nan 8.250 nan 0.000 0.443 376 A N 1.027 123.867 122.820 0.033 0.000 1.933 376 A HA -0.124 4.197 4.320 0.001 0.000 0.218 376 A C 2.117 179.724 177.584 0.039 0.000 1.175 376 A CA 1.338 53.391 52.037 0.027 0.000 0.628 376 A CB -0.499 18.518 19.000 0.029 0.000 0.814 376 A HN 0.349 nan 8.150 nan 0.000 0.444 377 L N -1.201 120.070 121.223 0.079 0.000 2.156 377 L HA -0.086 4.255 4.340 0.001 0.000 0.208 377 L C 2.562 179.552 176.870 0.200 0.000 1.095 377 L CA 1.405 56.347 54.840 0.171 0.000 0.770 377 L CB -0.297 41.855 42.059 0.154 0.000 0.914 377 L HN 0.387 nan 8.230 nan 0.000 0.439 378 K N 0.279 120.746 120.400 0.112 0.000 2.103 378 K HA -0.165 4.155 4.320 0.001 0.000 0.204 378 K C 2.311 178.947 176.600 0.060 0.000 1.052 378 K CA 0.820 57.164 56.287 0.094 0.000 0.945 378 K CB 0.110 32.647 32.500 0.061 0.000 0.722 378 K HN 0.110 nan 8.250 nan 0.000 0.443 379 R N 0.694 121.209 120.500 0.026 0.000 2.081 379 R HA -0.173 4.167 4.340 0.001 0.000 0.235 379 R C 1.992 178.252 176.300 -0.066 0.000 1.131 379 R CA 1.819 57.911 56.100 -0.013 0.000 0.960 379 R CB -0.045 30.245 30.300 -0.017 0.000 0.856 379 R HN 0.061 nan 8.270 nan 0.000 0.436 380 E N -0.342 119.781 120.200 -0.129 0.000 2.072 380 E HA -0.125 4.226 4.350 0.001 0.000 0.190 380 E C 1.090 177.397 176.600 -0.489 0.000 0.982 380 E CA 1.563 57.734 56.400 -0.382 0.000 0.803 380 E CB -0.040 29.297 29.700 -0.606 0.000 0.755 380 E HN 0.424 nan 8.360 nan 0.000 0.453 381 F N -0.971 118.976 119.950 -0.006 0.000 2.706 381 F HA 0.391 4.919 4.527 0.001 0.000 0.308 381 F C 1.487 177.287 175.800 -0.000 0.000 1.095 381 F CA 0.157 58.154 58.000 -0.004 0.000 1.244 381 F CB 0.472 39.469 39.000 -0.005 0.000 1.063 381 F HN 0.213 nan 8.300 nan 0.000 0.582 382 G N 0.904 109.782 108.800 0.130 0.000 2.566 382 G HA2 -0.257 3.703 3.960 0.001 0.000 0.280 382 G HA3 -0.257 3.703 3.960 0.001 0.000 0.280 382 G C -0.598 174.359 174.900 0.096 0.000 1.225 382 G CA 0.180 45.331 45.100 0.085 0.000 0.966 382 G HN 0.199 nan 8.290 nan 0.000 0.560 388 S N -0.120 115.593 115.700 0.023 0.000 2.537 388 S HA 0.406 4.877 4.470 0.001 0.000 0.270 388 S C -0.565 174.057 174.600 0.037 0.000 1.142 388 S CA -0.870 57.347 58.200 0.029 0.000 0.870 388 S CB 0.849 64.017 63.200 -0.054 0.000 1.112 388 S HN 0.354 nan 8.310 nan 0.000 0.466 389 F N 2.973 122.924 119.950 0.001 0.000 2.604 389 F HA 0.336 4.864 4.527 0.001 0.000 0.298 389 F C 0.923 176.727 175.800 0.006 0.000 1.131 389 F CA 0.626 58.628 58.000 0.003 0.000 1.457 389 F CB -0.203 38.799 39.000 0.003 0.000 1.095 389 F HN 0.435 nan 8.300 nan 0.000 0.574 390 L N 0.705 121.517 121.223 -0.685 0.000 2.529 390 L HA 0.109 4.450 4.340 0.001 0.000 0.223 390 L C 0.393 177.124 176.870 -0.230 0.000 1.113 390 L CA -0.238 54.270 54.840 -0.554 0.000 0.861 390 L CB -0.671 40.993 42.059 -0.657 0.000 1.012 390 L HN 0.280 nan 8.230 nan 0.000 0.461 391 N N -1.950 116.662 118.700 -0.147 0.000 2.458 391 N HA 0.053 4.793 4.740 0.001 0.000 0.271 391 N C 0.139 175.633 175.510 -0.028 0.000 1.210 391 N CA -0.539 52.469 53.050 -0.070 0.000 0.978 391 N CB 0.176 38.634 38.487 -0.048 0.000 1.206 391 N HN -0.176 nan 8.380 nan 0.000 0.536 392 N N -0.319 118.378 118.700 -0.006 0.000 2.322 392 N HA 0.049 4.790 4.740 0.001 0.000 0.216 392 N C -0.784 174.751 175.510 0.041 0.000 1.144 392 N CA -0.038 53.023 53.050 0.019 0.000 0.830 392 N CB -0.592 37.907 38.487 0.020 0.000 1.034 392 N HN 0.526 nan 8.380 nan 0.000 0.484 393 N N 0.833 119.553 118.700 0.034 0.000 2.513 393 N HA 0.028 4.768 4.740 0.001 0.000 0.268 393 N C 0.658 176.190 175.510 0.036 0.000 1.180 393 N CA -0.226 52.851 53.050 0.045 0.000 0.948 393 N CB 1.466 39.968 38.487 0.025 0.000 1.083 393 N HN -0.037 nan 8.380 nan 0.000 0.455 394 L N 2.817 124.064 121.223 0.040 0.000 2.357 394 L HA 0.335 4.676 4.340 0.001 0.000 0.211 394 L C 0.278 177.056 176.870 -0.153 0.000 1.075 394 L CA 0.694 55.528 54.840 -0.010 0.000 0.830 394 L CB 0.067 42.186 42.059 0.100 0.000 0.996 394 L HN 0.503 nan 8.230 nan 0.000 0.467 395 I N -2.037 118.375 120.570 -0.265 0.000 2.569 395 I HA 0.301 4.471 4.170 0.001 0.000 0.296 395 I C 1.094 177.121 176.117 -0.149 0.000 1.028 395 I CA -0.045 61.056 61.300 -0.333 0.000 1.082 395 I CB 2.308 39.844 38.000 -0.775 0.000 1.264 395 I HN -0.107 nan 8.210 nan 0.000 0.429 396 R N 1.244 121.702 120.500 -0.069 0.000 2.140 396 R HA 0.278 4.619 4.340 0.001 0.000 0.200 396 R C -0.426 175.872 176.300 -0.004 0.000 1.069 396 R CA 0.447 56.536 56.100 -0.018 0.000 1.088 396 R CB 0.503 30.811 30.300 0.012 0.000 1.012 396 R HN 0.701 nan 8.270 nan 0.000 0.500 397 D N -1.544 118.895 120.400 0.065 0.000 2.710 397 D HA 0.220 4.860 4.640 0.001 0.000 0.276 397 D C -2.037 174.411 176.300 0.247 0.000 1.267 397 D CA -0.365 53.702 54.000 0.113 0.000 0.772 397 D CB 2.251 43.061 40.800 0.017 0.000 1.299 397 D HN -0.104 nan 8.370 nan 0.000 0.421 398 V N 0.952 120.993 119.914 0.211 0.000 2.733 398 V HA 0.770 4.891 4.120 0.001 0.000 0.306 398 V C -1.309 174.902 176.094 0.196 0.000 1.084 398 V CA -0.093 62.310 62.300 0.172 0.000 0.905 398 V CB 1.691 33.545 31.823 0.050 0.000 1.010 398 V HN 0.677 nan 8.190 nan 0.000 0.424 399 S N 5.643 121.467 115.700 0.207 0.000 2.513 399 S HA 0.835 5.306 4.470 0.001 0.000 0.299 399 S C -0.945 173.698 174.600 0.072 0.000 1.087 399 S CA -0.291 58.013 58.200 0.173 0.000 1.012 399 S CB 1.667 65.046 63.200 0.298 0.000 1.044 399 S HN 1.924 nan 8.310 nan 0.000 0.485 400 V N 1.757 121.706 119.914 0.058 0.000 2.531 400 V HA 0.653 4.773 4.120 0.001 0.000 0.301 400 V C -1.696 174.419 176.094 0.035 0.000 1.034 400 V CA -0.527 61.794 62.300 0.035 0.000 0.865 400 V CB 1.695 33.535 31.823 0.028 0.000 0.995 400 V HN 1.040 nan 8.190 nan 0.000 0.424 401 D N 4.685 125.102 120.400 0.029 0.000 2.441 401 D HA 0.408 5.048 4.640 0.001 0.000 0.231 401 D C 0.570 176.884 176.300 0.023 0.000 1.073 401 D CA -0.301 53.716 54.000 0.028 0.000 0.850 401 D CB 1.986 42.804 40.800 0.031 0.000 1.062 401 D HN 0.666 nan 8.370 nan 0.000 0.524 402 K N 1.568 121.981 120.400 0.021 0.000 2.365 402 K HA 0.033 4.353 4.320 0.001 0.000 0.197 402 K C -0.136 176.474 176.600 0.016 0.000 1.042 402 K CA 0.310 56.608 56.287 0.017 0.000 0.987 402 K CB 0.527 33.036 32.500 0.016 0.000 0.779 402 K HN 0.316 nan 8.250 nan 0.000 0.484 403 D N 1.426 121.838 120.400 0.019 0.000 2.896 403 D HA 0.110 4.751 4.640 0.001 0.000 0.240 403 D C -0.868 175.445 176.300 0.021 0.000 1.193 403 D CA 0.225 54.236 54.000 0.018 0.000 0.983 403 D CB 0.450 41.262 40.800 0.019 0.000 1.074 403 D HN -0.184 nan 8.370 nan 0.000 0.496 404 V N 0.140 120.065 119.914 0.019 0.000 3.159 404 V HA 0.567 4.688 4.120 0.001 0.000 0.308 404 V C -0.624 175.478 176.094 0.013 0.000 1.190 404 V CA -0.758 61.555 62.300 0.022 0.000 1.037 404 V CB 2.730 34.567 31.823 0.023 0.000 1.060 404 V HN 0.582 nan 8.190 nan 0.000 0.437 405 C N 1.434 120.740 119.300 0.010 0.000 3.090 405 C HA 0.902 5.363 4.460 0.001 0.000 0.305 405 C C -0.868 174.098 174.990 -0.040 0.000 1.292 405 C CA -0.790 58.221 59.018 -0.012 0.000 1.482 405 C CB 0.908 28.639 27.740 -0.014 0.000 1.897 405 C HN 0.615 nan 8.230 nan 0.000 0.469 406 V N 2.477 122.352 119.914 -0.067 0.000 2.394 406 V HA 0.503 4.624 4.120 0.001 0.000 0.282 406 V C 0.031 175.985 176.094 -0.234 0.000 1.031 406 V CA -0.150 62.069 62.300 -0.134 0.000 0.881 406 V CB 1.257 33.050 31.823 -0.049 0.000 0.982 406 V HN 0.773 nan 8.190 nan 0.000 0.451 407 I N 3.567 123.828 120.570 -0.514 0.000 2.441 407 I HA 0.540 4.711 4.170 0.001 0.000 0.295 407 I C -0.042 175.628 176.117 -0.745 0.000 0.994 407 I CA -0.087 60.843 61.300 -0.617 0.000 1.144 407 I CB 2.079 39.647 38.000 -0.720 0.000 1.314 407 I HN 0.540 nan 8.210 nan 0.000 0.445 408 S N 4.400 119.852 115.700 -0.412 0.000 2.526 408 S HA 0.627 5.098 4.470 0.001 0.000 0.293 408 S C -0.666 173.829 174.600 -0.175 0.000 1.092 408 S CA -0.625 57.356 58.200 -0.364 0.000 0.980 408 S CB 2.584 65.513 63.200 -0.451 0.000 1.048 408 S HN 0.283 nan 8.310 nan 0.000 0.483 409 V N 2.973 122.805 119.914 -0.137 0.000 2.540 409 V HA 0.619 4.740 4.120 0.001 0.000 0.302 409 V C -0.828 175.197 176.094 -0.115 0.000 1.035 409 V CA -0.477 61.757 62.300 -0.110 0.000 0.873 409 V CB 1.828 33.567 31.823 -0.140 0.000 0.992 409 V HN 0.708 nan 8.190 nan 0.000 0.428 410 V N 3.586 123.449 119.914 -0.086 0.000 2.638 410 V HA 0.991 5.111 4.120 0.001 0.000 0.306 410 V C 0.235 176.291 176.094 -0.063 0.000 1.052 410 V CA -0.107 62.163 62.300 -0.049 0.000 0.885 410 V CB 1.802 33.632 31.823 0.011 0.000 0.999 410 V HN 1.067 nan 8.190 nan 0.000 0.424 411 G N 2.582 111.345 108.800 -0.061 0.000 2.655 411 G HA2 0.669 4.630 3.960 0.001 0.000 0.296 411 G HA3 0.669 4.630 3.960 0.001 0.000 0.296 411 G C -0.583 174.291 174.900 -0.043 0.000 1.485 411 G CA -0.090 44.976 45.100 -0.056 0.000 0.869 411 G HN 1.117 nan 8.290 nan 0.000 0.540 412 A N -0.192 122.609 122.820 -0.031 0.000 2.587 412 A HA 0.519 4.840 4.320 0.001 0.000 0.233 412 A C 1.804 179.372 177.584 -0.027 0.000 1.049 412 A CA 1.768 53.791 52.037 -0.023 0.000 0.754 412 A CB -0.136 18.851 19.000 -0.021 0.000 0.977 412 A HN 2.873 nan 8.150 nan 0.000 0.509 413 G N 1.225 110.013 108.800 -0.020 0.000 2.162 413 G HA2 -0.341 3.620 3.960 0.001 0.000 0.260 413 G HA3 -0.341 3.620 3.960 0.001 0.000 0.260 413 G C 0.818 175.702 174.900 -0.027 0.000 0.976 413 G CA 1.228 46.317 45.100 -0.019 0.000 0.655 413 G HN 1.232 nan 8.290 nan 0.000 0.533 414 M N 0.407 119.985 119.600 -0.037 0.000 2.163 414 M HA -0.042 4.439 4.480 0.001 0.000 0.258 414 M C 2.443 178.722 176.300 -0.034 0.000 1.071 414 M CA 2.994 58.263 55.300 -0.052 0.000 1.093 414 M CB -0.422 32.142 32.600 -0.060 0.000 1.285 414 M HN 0.339 nan 8.290 nan 0.000 0.420 415 R N -0.719 119.770 120.500 -0.019 0.000 2.091 415 R HA -0.122 4.218 4.340 0.001 0.000 0.238 415 R C 1.855 178.153 176.300 -0.003 0.000 1.136 415 R CA 1.696 57.793 56.100 -0.006 0.000 0.959 415 R CB -0.861 29.440 30.300 0.001 0.000 0.856 415 R HN 0.612 nan 8.270 nan 0.000 0.437 416 G N -0.553 108.243 108.800 -0.006 0.000 2.920 416 G HA2 0.139 4.100 3.960 0.001 0.000 0.208 416 G HA3 0.139 4.100 3.960 0.001 0.000 0.208 416 G C 0.032 174.929 174.900 -0.005 0.000 1.159 416 G CA 0.270 45.368 45.100 -0.003 0.000 0.784 416 G HN 0.394 nan 8.290 nan 0.000 0.535 417 A N 0.633 123.446 122.820 -0.011 0.000 2.354 417 A HA 0.526 4.847 4.320 0.001 0.000 0.281 417 A C 0.384 177.965 177.584 -0.004 0.000 1.174 417 A CA -0.460 51.571 52.037 -0.011 0.000 0.828 417 A CB 0.337 19.324 19.000 -0.022 0.000 1.099 417 A HN 0.233 nan 8.150 nan 0.000 0.516 418 K N 2.107 122.508 120.400 0.002 0.000 2.368 418 K HA 0.397 4.718 4.320 0.001 0.000 0.282 418 K C 1.242 177.849 176.600 0.012 0.000 1.035 418 K CA 1.071 57.363 56.287 0.008 0.000 0.973 418 K CB 0.161 32.666 32.500 0.008 0.000 0.957 418 K HN 1.415 nan 8.250 nan 0.000 0.474 419 G N 3.815 112.625 108.800 0.017 0.000 2.225 419 G HA2 -0.293 3.668 3.960 0.001 0.000 0.254 419 G HA3 -0.293 3.668 3.960 0.001 0.000 0.254 419 G C 0.640 175.555 174.900 0.025 0.000 0.988 419 G CA 0.318 45.432 45.100 0.023 0.000 0.625 419 G HN 0.643 nan 8.290 nan 0.000 0.527 420 I N 1.798 122.373 120.570 0.007 0.000 2.252 420 I HA 0.245 4.416 4.170 0.001 0.000 0.245 420 I C 2.951 179.027 176.117 -0.069 0.000 1.102 420 I CA 2.438 63.728 61.300 -0.018 0.000 1.385 420 I CB -0.587 37.372 38.000 -0.068 0.000 1.064 420 I HN 0.498 nan 8.210 nan 0.000 0.414 421 A N 0.249 123.036 122.820 -0.055 0.000 1.873 421 A HA -0.174 4.146 4.320 0.001 0.000 0.218 421 A C 2.487 180.060 177.584 -0.019 0.000 1.193 421 A CA 1.996 53.995 52.037 -0.064 0.000 0.629 421 A CB -1.806 17.268 19.000 0.123 0.000 0.826 421 A HN 0.484 nan 8.150 nan 0.000 0.447 422 G N -0.422 108.418 108.800 0.065 0.000 2.476 422 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 422 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 422 G C 1.686 176.615 174.900 0.048 0.000 1.164 422 G CA 1.288 46.438 45.100 0.083 0.000 0.768 422 G HN 0.612 nan 8.290 nan 0.000 0.560 423 K N -0.129 120.299 120.400 0.046 0.000 2.057 423 K HA 0.050 4.371 4.320 0.001 0.000 0.207 423 K C 2.472 179.151 176.600 0.132 0.000 1.049 423 K CA 0.912 57.256 56.287 0.095 0.000 0.931 423 K CB -0.238 32.378 32.500 0.193 0.000 0.714 423 K HN 0.343 nan 8.250 nan 0.000 0.440 424 I N 0.224 120.796 120.570 0.002 0.000 2.127 424 I HA -0.288 3.883 4.170 0.001 0.000 0.241 424 I C 1.962 177.881 176.117 -0.331 0.000 1.075 424 I CA 1.674 62.843 61.300 -0.219 0.000 1.334 424 I CB -0.267 37.297 38.000 -0.727 0.000 1.040 424 I HN 0.064 nan 8.210 nan 0.000 0.405 425 F N 0.067 119.960 119.950 -0.094 0.000 2.367 425 F HA -0.138 4.389 4.527 0.001 0.000 0.298 425 F C 2.868 178.605 175.800 -0.106 0.000 1.094 425 F CA 1.151 59.042 58.000 -0.181 0.000 1.409 425 F CB -0.711 38.178 39.000 -0.186 0.000 1.064 425 F HN 0.140 nan 8.300 nan 0.000 0.528 426 T N -1.060 113.543 114.554 0.082 0.000 2.821 426 T HA -0.120 4.230 4.350 0.001 0.000 0.267 426 T C 2.152 176.861 174.700 0.014 0.000 1.046 426 T CA 1.081 63.205 62.100 0.040 0.000 1.139 426 T CB -0.497 68.385 68.868 0.023 0.000 0.871 426 T HN 0.177 nan 8.240 nan 0.000 0.454 427 A N 1.122 123.943 122.820 0.002 0.000 1.902 427 A HA 0.065 4.385 4.320 0.001 0.000 0.217 427 A C 2.673 180.271 177.584 0.024 0.000 1.181 427 A CA 1.787 53.823 52.037 -0.001 0.000 0.623 427 A CB -1.175 17.826 19.000 0.001 0.000 0.818 427 A HN 0.450 nan 8.150 nan 0.000 0.443 428 V N -0.209 119.713 119.914 0.014 0.000 2.332 428 V HA -0.252 3.869 4.120 0.001 0.000 0.248 428 V C 2.836 178.953 176.094 0.038 0.000 1.055 428 V CA 2.415 64.728 62.300 0.022 0.000 1.038 428 V CB -0.907 30.855 31.823 -0.103 0.000 0.651 428 V HN 0.690 nan 8.190 nan 0.000 0.450 429 S N -0.476 115.241 115.700 0.027 0.000 2.368 429 S HA -0.241 4.229 4.470 0.001 0.000 0.225 429 S C 1.911 176.524 174.600 0.023 0.000 1.030 429 S CA 1.876 60.090 58.200 0.024 0.000 0.999 429 S CB -0.313 62.899 63.200 0.019 0.000 0.844 429 S HN 0.739 nan 8.310 nan 0.000 0.459 430 E N 0.677 120.888 120.200 0.019 0.000 2.347 430 E HA -0.052 4.299 4.350 0.001 0.000 0.196 430 E C 2.018 178.630 176.600 0.020 0.000 1.008 430 E CA 1.026 57.433 56.400 0.012 0.000 0.852 430 E CB -0.078 29.622 29.700 -0.000 0.000 0.783 430 E HN 0.747 nan 8.360 nan 0.000 0.505 431 S N -0.910 114.811 115.700 0.034 0.000 2.562 431 S HA 0.139 4.610 4.470 0.001 0.000 0.221 431 S C 1.604 176.230 174.600 0.042 0.000 0.975 431 S CA 0.357 58.583 58.200 0.044 0.000 0.918 431 S CB 0.510 63.749 63.200 0.066 0.000 0.772 431 S HN 0.334 nan 8.310 nan 0.000 0.531 432 G N 0.516 109.338 108.800 0.038 0.000 2.175 432 G HA2 -0.053 3.908 3.960 0.001 0.000 0.244 432 G HA3 -0.053 3.908 3.960 0.001 0.000 0.244 432 G C 0.182 175.108 174.900 0.044 0.000 0.982 432 G CA -0.158 44.963 45.100 0.035 0.000 0.641 432 G HN 1.220 nan 8.290 nan 0.000 0.527 433 A N -0.233 122.623 122.820 0.059 0.000 2.340 433 A HA 0.713 5.033 4.320 0.001 0.000 0.268 433 A C 0.110 177.730 177.584 0.061 0.000 1.100 433 A CA 0.383 52.466 52.037 0.077 0.000 0.803 433 A CB 0.578 19.653 19.000 0.124 0.000 1.043 433 A HN 0.883 nan 8.150 nan 0.000 0.488 434 N N 1.422 120.159 118.700 0.062 0.000 2.443 434 N HA 0.468 5.209 4.740 0.001 0.000 0.269 434 N C -1.069 174.473 175.510 0.054 0.000 0.985 434 N CA -0.404 52.671 53.050 0.041 0.000 0.921 434 N CB 0.527 39.033 38.487 0.032 0.000 1.195 434 N HN 0.533 nan 8.380 nan 0.000 0.492 435 I N 3.717 124.304 120.570 0.028 0.000 2.396 435 I HA 0.095 4.265 4.170 0.001 0.000 0.289 435 I C 1.164 177.292 176.117 0.018 0.000 1.056 435 I CA -0.070 61.253 61.300 0.038 0.000 1.365 435 I CB 1.029 38.987 38.000 -0.070 0.000 1.407 435 I HN 0.578 nan 8.210 nan 0.000 0.509 436 K N 5.881 126.315 120.400 0.056 0.000 2.352 436 K HA 0.330 4.651 4.320 0.001 0.000 0.194 436 K C 0.169 176.782 176.600 0.021 0.000 1.038 436 K CA 0.485 56.791 56.287 0.032 0.000 1.023 436 K CB 0.703 33.228 32.500 0.042 0.000 0.840 436 K HN 0.594 nan 8.250 nan 0.000 0.519 437 M N 0.874 120.499 119.600 0.041 0.000 2.426 437 M HA 0.352 4.833 4.480 0.001 0.000 0.289 437 M C -2.142 174.200 176.300 0.069 0.000 1.168 437 M CA -0.501 54.819 55.300 0.034 0.000 0.933 437 M CB 1.863 34.488 32.600 0.043 0.000 1.750 437 M HN -0.127 nan 8.290 nan 0.000 0.494 438 I N 2.836 123.422 120.570 0.028 0.000 2.582 438 I HA 0.775 4.946 4.170 0.001 0.000 0.292 438 I C -0.713 175.448 176.117 0.073 0.000 1.066 438 I CA -0.858 60.482 61.300 0.066 0.000 1.053 438 I CB 2.264 40.197 38.000 -0.112 0.000 1.241 438 I HN 0.774 nan 8.210 nan 0.000 0.421 439 A N 5.846 128.733 122.820 0.113 0.000 2.319 439 A HA 0.744 5.064 4.320 0.001 0.000 0.310 439 A C -0.951 176.688 177.584 0.092 0.000 1.152 439 A CA -0.442 51.644 52.037 0.081 0.000 0.783 439 A CB 1.632 20.672 19.000 0.067 0.000 1.184 439 A HN 0.652 nan 8.150 nan 0.000 0.474 440 Q N 1.392 121.240 119.800 0.080 0.000 2.340 440 Q HA 0.554 4.895 4.340 0.001 0.000 0.276 440 Q C 0.207 176.237 176.000 0.051 0.000 1.048 440 Q CA 0.341 56.188 55.803 0.072 0.000 0.832 440 Q CB 1.901 30.702 28.738 0.105 0.000 1.373 440 Q HN 1.809 nan 8.270 nan 0.000 0.409 441 G N 1.557 110.381 108.800 0.039 0.000 2.617 441 G HA2 -0.254 3.706 3.960 0.001 0.000 0.197 441 G HA3 -0.254 3.706 3.960 0.001 0.000 0.197 441 G C 0.547 175.462 174.900 0.025 0.000 1.017 441 G CA 0.553 45.671 45.100 0.029 0.000 0.713 441 G HN 0.858 nan 8.290 nan 0.000 0.481 442 S N -0.444 115.275 115.700 0.031 0.000 2.575 442 S HA 0.585 5.056 4.470 0.001 0.000 0.215 442 S C 0.738 175.353 174.600 0.025 0.000 0.966 442 S CA 1.099 59.314 58.200 0.025 0.000 0.911 442 S CB 0.615 63.833 63.200 0.029 0.000 0.780 442 S HN 1.369 nan 8.310 nan 0.000 0.514 443 S N 0.369 116.087 115.700 0.031 0.000 2.526 443 S HA 0.379 4.849 4.470 0.001 0.000 0.293 443 S C 0.412 175.023 174.600 0.017 0.000 1.092 443 S CA -0.643 57.575 58.200 0.030 0.000 0.980 443 S CB 1.846 65.081 63.200 0.059 0.000 1.048 443 S HN 0.365 nan 8.310 nan 0.000 0.483 444 E N 2.283 122.491 120.200 0.012 0.000 2.204 444 E HA -0.077 4.273 4.350 0.001 0.000 0.194 444 E C 1.137 177.737 176.600 0.000 0.000 0.989 444 E CA 1.697 58.101 56.400 0.006 0.000 0.824 444 E CB 0.137 29.840 29.700 0.006 0.000 0.756 444 E HN 0.627 nan 8.360 nan 0.000 0.477 445 V N -1.872 118.045 119.914 0.005 0.000 3.398 445 V HA 0.349 4.470 4.120 0.001 0.000 0.298 445 V C -0.228 175.858 176.094 -0.014 0.000 1.496 445 V CA -0.410 61.888 62.300 -0.005 0.000 1.044 445 V CB 0.090 31.917 31.823 0.006 0.000 0.880 445 V HN 0.057 nan 8.190 nan 0.000 0.443 446 N N 0.324 119.018 118.700 -0.010 0.000 2.296 446 N HA 0.674 5.414 4.740 0.001 0.000 0.294 446 N C -1.360 174.111 175.510 -0.066 0.000 1.033 446 N CA -0.575 52.450 53.050 -0.042 0.000 0.839 446 N CB 2.105 40.592 38.487 -0.000 0.000 1.395 446 N HN 0.315 nan 8.380 nan 0.000 0.479 447 I N 1.957 122.470 120.570 -0.094 0.000 2.406 447 I HA 0.383 4.554 4.170 0.001 0.000 0.290 447 I C -0.456 175.619 176.117 -0.069 0.000 0.999 447 I CA -0.581 60.698 61.300 -0.035 0.000 1.124 447 I CB 1.832 39.830 38.000 -0.003 0.000 1.289 447 I HN 0.448 nan 8.210 nan 0.000 0.441 448 S N 5.869 121.524 115.700 -0.075 0.000 2.566 448 S HA 0.859 5.329 4.470 0.001 0.000 0.298 448 S C -0.842 173.824 174.600 0.110 0.000 1.083 448 S CA -0.556 57.516 58.200 -0.214 0.000 0.978 448 S CB 1.942 64.831 63.200 -0.518 0.000 1.073 448 S HN 0.492 nan 8.310 nan 0.000 0.491 449 F N -1.372 118.576 119.950 -0.003 0.000 2.693 449 F HA 0.770 5.298 4.527 0.001 0.000 0.309 449 F C -1.619 174.204 175.800 0.039 0.000 1.129 449 F CA -1.252 56.785 58.000 0.061 0.000 0.948 449 F CB 0.564 39.683 39.000 0.198 0.000 1.315 449 F HN 0.272 nan 8.300 nan 0.000 0.447 450 V N 3.207 123.249 119.914 0.213 0.000 2.513 450 V HA 0.735 4.855 4.120 0.001 0.000 0.299 450 V C 0.063 176.273 176.094 0.194 0.000 1.035 450 V CA -0.609 61.758 62.300 0.111 0.000 0.889 450 V CB 1.454 33.317 31.823 0.067 0.000 0.988 450 V HN 0.859 nan 8.190 nan 0.000 0.440 451 I N -0.419 120.238 120.570 0.145 0.000 3.264 451 I HA 0.667 4.838 4.170 0.001 0.000 0.315 451 I C -0.695 175.471 176.117 0.082 0.000 1.154 451 I CA -1.102 60.284 61.300 0.143 0.000 0.962 451 I CB 2.020 40.142 38.000 0.204 0.000 1.265 451 I HN 0.345 nan 8.210 nan 0.000 0.463 452 D N 2.343 122.785 120.400 0.071 0.000 2.488 452 D HA -0.032 4.609 4.640 0.001 0.000 0.238 452 D C 0.706 177.033 176.300 0.044 0.000 1.138 452 D CA 0.489 54.519 54.000 0.050 0.000 0.873 452 D CB 1.513 42.340 40.800 0.044 0.000 1.183 452 D HN 0.742 nan 8.370 nan 0.000 0.458 453 E N 2.144 122.363 120.200 0.032 0.000 2.097 453 E HA -0.270 4.081 4.350 0.001 0.000 0.196 453 E C 1.811 178.426 176.600 0.025 0.000 1.000 453 E CA 1.497 57.911 56.400 0.024 0.000 0.804 453 E CB 0.134 29.845 29.700 0.017 0.000 0.740 453 E HN 0.479 nan 8.360 nan 0.000 0.454 454 K N -0.106 120.310 120.400 0.026 0.000 2.281 454 K HA -0.165 4.156 4.320 0.001 0.000 0.203 454 K C 0.855 177.474 176.600 0.031 0.000 1.046 454 K CA 1.795 58.097 56.287 0.025 0.000 0.938 454 K CB 0.120 32.634 32.500 0.023 0.000 0.737 454 K HN 0.042 nan 8.250 nan 0.000 0.458 455 D N 0.871 121.296 120.400 0.042 0.000 2.349 455 D HA 0.026 4.666 4.640 0.001 0.000 0.214 455 D C 1.588 177.924 176.300 0.061 0.000 1.063 455 D CA -0.024 54.008 54.000 0.053 0.000 0.847 455 D CB 0.259 41.099 40.800 0.067 0.000 0.933 455 D HN 0.210 nan 8.370 nan 0.000 0.513 456 L N 0.314 121.566 121.223 0.048 0.000 1.990 456 L HA -0.189 4.151 4.340 0.001 0.000 0.213 456 L C 2.139 179.035 176.870 0.043 0.000 1.072 456 L CA 1.263 56.128 54.840 0.042 0.000 0.755 456 L CB -0.092 41.979 42.059 0.020 0.000 0.889 456 L HN 0.050 nan 8.230 nan 0.000 0.432 457 L N -0.194 121.048 121.223 0.032 0.000 1.994 457 L HA -0.248 4.092 4.340 0.001 0.000 0.208 457 L C 2.447 179.341 176.870 0.040 0.000 1.071 457 L CA 1.489 56.345 54.840 0.027 0.000 0.745 457 L CB -0.573 41.495 42.059 0.015 0.000 0.892 457 L HN 0.430 nan 8.230 nan 0.000 0.431 458 N N -0.707 118.020 118.700 0.044 0.000 2.104 458 N HA -0.232 4.508 4.740 0.001 0.000 0.190 458 N C 1.826 177.380 175.510 0.072 0.000 1.024 458 N CA 1.594 54.674 53.050 0.050 0.000 0.853 458 N CB -0.853 37.660 38.487 0.045 0.000 1.008 458 N HN 0.421 nan 8.380 nan 0.000 0.424 459 C N 0.486 119.841 119.300 0.092 0.000 2.432 459 C HA -0.014 4.447 4.460 0.001 0.000 0.277 459 C C 2.762 177.839 174.990 0.145 0.000 1.249 459 C CA 0.494 59.593 59.018 0.135 0.000 1.725 459 C CB -0.945 26.907 27.740 0.187 0.000 2.028 459 C HN 0.213 nan 8.230 nan 0.000 0.477 460 V N 1.240 121.222 119.914 0.115 0.000 2.343 460 V HA -0.207 3.914 4.120 0.001 0.000 0.247 460 V C 2.711 178.882 176.094 0.129 0.000 1.051 460 V CA 2.237 64.605 62.300 0.113 0.000 1.036 460 V CB -0.823 31.037 31.823 0.061 0.000 0.654 460 V HN 0.503 nan 8.190 nan 0.000 0.451 461 R N 0.073 120.627 120.500 0.089 0.000 2.083 461 R HA -0.236 4.104 4.340 0.001 0.000 0.237 461 R C 2.435 178.809 176.300 0.124 0.000 1.137 461 R CA 1.913 58.067 56.100 0.090 0.000 0.951 461 R CB -0.379 29.952 30.300 0.051 0.000 0.851 461 R HN 0.349 nan 8.270 nan 0.000 0.434 462 K N 0.698 121.160 120.400 0.102 0.000 2.057 462 K HA -0.126 4.195 4.320 0.001 0.000 0.207 462 K C 1.852 178.512 176.600 0.101 0.000 1.049 462 K CA 1.104 57.438 56.287 0.080 0.000 0.931 462 K CB -0.270 32.269 32.500 0.064 0.000 0.714 462 K HN -0.038 nan 8.250 nan 0.000 0.440 463 L N 0.759 122.087 121.223 0.175 0.000 2.083 463 L HA -0.168 4.173 4.340 0.001 0.000 0.209 463 L C 2.428 179.476 176.870 0.296 0.000 1.083 463 L CA 1.829 56.838 54.840 0.281 0.000 0.752 463 L CB -1.021 41.219 42.059 0.302 0.000 0.899 463 L HN 0.462 nan 8.230 nan 0.000 0.433 464 H N -0.314 118.840 119.070 0.140 0.000 2.363 464 H HA -0.098 4.459 4.556 0.001 0.000 0.301 464 H C 1.988 177.357 175.328 0.068 0.000 1.074 464 H CA 1.553 57.669 56.048 0.113 0.000 1.354 464 H CB 0.522 30.334 29.762 0.083 0.000 1.397 464 H HN 0.444 nan 8.280 nan 0.000 0.516 465 E N 0.435 120.711 120.200 0.127 0.000 2.038 465 E HA -0.176 4.175 4.350 0.001 0.000 0.195 465 E C 2.402 178.954 176.600 -0.079 0.000 1.000 465 E CA 0.757 57.174 56.400 0.028 0.000 0.803 465 E CB 0.099 29.810 29.700 0.019 0.000 0.750 465 E HN 0.198 nan 8.360 nan 0.000 0.448 466 K N 0.194 120.501 120.400 -0.154 0.000 2.026 466 K HA -0.119 4.201 4.320 0.001 0.000 0.208 466 K C 1.811 178.109 176.600 -0.503 0.000 1.048 466 K CA 1.324 57.370 56.287 -0.402 0.000 0.929 466 K CB -0.042 32.069 32.500 -0.648 0.000 0.713 466 K HN 0.081 nan 8.250 nan 0.000 0.439 467 F N -0.803 119.100 119.950 -0.078 0.000 2.622 467 F HA 0.118 4.646 4.527 0.001 0.000 0.288 467 F C 1.879 177.597 175.800 -0.138 0.000 1.120 467 F CA 0.066 58.009 58.000 -0.095 0.000 1.423 467 F CB 0.142 39.093 39.000 -0.081 0.000 1.127 467 F HN -0.095 nan 8.300 nan 0.000 0.588 468 I N -0.740 119.781 120.570 -0.083 0.000 3.300 468 I HA 0.023 4.193 4.170 0.001 0.000 0.279 468 I C 1.872 177.899 176.117 -0.151 0.000 1.172 468 I CA 0.845 62.025 61.300 -0.199 0.000 1.431 468 I CB -0.168 37.520 38.000 -0.519 0.000 1.240 468 I HN -0.088 nan 8.210 nan 0.000 0.453 469 E N 0.678 120.796 120.200 -0.138 0.000 2.122 469 E HA 0.028 4.379 4.350 0.001 0.000 0.190 469 E C -0.023 176.551 176.600 -0.044 0.000 0.977 469 E CA 0.276 56.645 56.400 -0.051 0.000 0.820 469 E CB 0.184 29.887 29.700 0.006 0.000 0.770 469 E HN 0.204 nan 8.360 nan 0.000 0.462 470 K N 0.000 120.360 120.400 -0.066 0.000 2.780 470 K HA 0.000 4.321 4.320 0.001 0.000 0.191 470 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 470 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 470 K HN 0.000 nan 8.250 nan 0.000 0.543