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 2f92_1_F DATA FIRST_RESID 8 DATA SEQUENCE DVYAQEKQDF VQHFSQIVRV LTEDEMGHPE IGDAIARLKE VLEYNAIGGK DATA SEQUENCE YNRGLTVVVA FRELVEPRKQ DADSLQRAWT VGWCVELLQA FFLVADDIMD DATA SEQUENCE SSLTRRGQIC WYQKPGVGLD AINDANLLEA CIYRLLKLYC REQPYYLNLI DATA SEQUENCE ELFLQSSYQT EIGQTLDLLT APQGNVDLVR FTEKRYKSIV KYKTAFYSFY DATA SEQUENCE LPIAAAMYMA GIDGEKEHAN AKKILLEMGE FFQIQDDYLD LFGDPSVTGK DATA SEQUENCE IGTDIQDNKC SWLVVQCLQR ATPEQYQILK ENYGQKEAEK VARVKALYEE DATA SEQUENCE LDLPAVFLQY EEDSYSHIMA LIEQYAAPLP PAVFLGLARK IYK 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.348 176.300 0.079 0.000 2.045 8 D CA 0.000 54.059 54.000 0.098 0.000 0.868 8 D CB 0.000 40.840 40.800 0.067 0.000 0.688 9 V N 0.799 120.745 119.914 0.052 0.000 2.970 9 V HA -0.017 4.103 4.120 0.001 0.000 0.260 9 V C 1.562 177.578 176.094 -0.130 0.000 1.100 9 V CA 1.629 63.894 62.300 -0.058 0.000 1.122 9 V CB -0.523 31.218 31.823 -0.136 0.000 0.721 9 V HN 0.325 nan 8.190 nan 0.000 0.483 10 Y N 0.557 120.849 120.300 -0.014 0.000 2.130 10 Y HA 0.029 4.580 4.550 0.001 0.000 0.287 10 Y C 2.631 178.523 175.900 -0.013 0.000 1.124 10 Y CA 1.691 59.774 58.100 -0.030 0.000 1.118 10 Y CB -1.094 37.343 38.460 -0.038 0.000 0.994 10 Y HN 0.245 nan 8.280 nan 0.000 0.497 11 A N 0.634 123.559 122.820 0.175 0.000 1.958 11 A HA -0.310 4.011 4.320 0.001 0.000 0.221 11 A C 1.988 179.611 177.584 0.066 0.000 1.178 11 A CA 2.181 54.280 52.037 0.103 0.000 0.642 11 A CB -1.060 17.989 19.000 0.083 0.000 0.816 11 A HN 0.682 nan 8.150 nan 0.000 0.453 12 Q N -1.166 118.664 119.800 0.050 0.000 2.373 12 Q HA 0.103 4.443 4.340 0.001 0.000 0.206 12 Q C 0.430 176.444 176.000 0.022 0.000 0.942 12 Q CA 0.882 56.702 55.803 0.029 0.000 0.953 12 Q CB 0.028 28.778 28.738 0.020 0.000 1.022 12 Q HN 0.743 nan 8.270 nan 0.000 0.502 13 E N -0.110 120.107 120.200 0.028 0.000 2.665 13 E HA 0.047 4.398 4.350 0.001 0.000 0.225 13 E C 0.903 177.530 176.600 0.045 0.000 0.922 13 E CA -0.159 56.257 56.400 0.027 0.000 1.242 13 E CB 0.441 30.142 29.700 0.001 0.000 1.197 13 E HN 0.201 nan 8.360 nan 0.000 0.581 14 K N 1.440 121.875 120.400 0.059 0.000 2.002 14 K HA -0.164 4.156 4.320 0.001 0.000 0.209 14 K C 2.156 178.790 176.600 0.057 0.000 1.048 14 K CA 1.429 57.766 56.287 0.083 0.000 0.930 14 K CB 0.240 32.801 32.500 0.101 0.000 0.714 14 K HN -0.115 nan 8.250 nan 0.000 0.438 15 Q N 0.921 120.727 119.800 0.011 0.000 2.135 15 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 15 Q C 1.746 177.656 176.000 -0.150 0.000 0.981 15 Q CA 1.786 57.563 55.803 -0.043 0.000 0.856 15 Q CB -0.426 28.292 28.738 -0.032 0.000 0.902 15 Q HN 0.424 nan 8.270 nan 0.000 0.425 16 D N -0.153 120.142 120.400 -0.175 0.000 2.104 16 D HA -0.148 4.493 4.640 0.001 0.000 0.194 16 D C 1.551 177.429 176.300 -0.704 0.000 0.994 16 D CA 0.815 54.550 54.000 -0.441 0.000 0.830 16 D CB -0.361 40.306 40.800 -0.223 0.000 0.959 16 D HN 0.172 nan 8.370 nan 0.000 0.452 17 F N 0.887 120.605 119.950 -0.386 0.000 2.102 17 F HA -0.203 4.325 4.527 0.001 0.000 0.298 17 F C 2.107 177.829 175.800 -0.130 0.000 1.105 17 F CA 1.047 58.901 58.000 -0.243 0.000 1.239 17 F CB -0.367 38.520 39.000 -0.189 0.000 0.991 17 F HN -0.167 nan 8.300 nan 0.000 0.474 18 V N -0.052 119.761 119.914 -0.167 0.000 2.343 18 V HA -0.318 3.803 4.120 0.001 0.000 0.247 18 V C 2.290 178.285 176.094 -0.165 0.000 1.051 18 V CA 2.155 64.342 62.300 -0.189 0.000 1.036 18 V CB -0.893 30.839 31.823 -0.151 0.000 0.654 18 V HN 0.314 nan 8.190 nan 0.000 0.451 19 Q N -0.585 119.060 119.800 -0.257 0.000 2.124 19 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 19 Q C 2.033 177.870 176.000 -0.271 0.000 0.977 19 Q CA 1.626 57.284 55.803 -0.242 0.000 0.850 19 Q CB -0.337 28.238 28.738 -0.272 0.000 0.901 19 Q HN 0.775 nan 8.270 nan 0.000 0.429 20 H N -1.638 117.167 119.070 -0.442 0.000 2.560 20 H HA -0.112 4.444 4.556 0.001 0.000 0.283 20 H C 1.177 176.179 175.328 -0.544 0.000 1.028 20 H CA 0.313 55.912 56.048 -0.749 0.000 1.221 20 H CB 0.052 28.707 29.762 -1.845 0.000 1.363 20 H HN 0.240 nan 8.280 nan 0.000 0.594 21 F N 1.098 120.723 119.950 -0.541 0.000 2.234 21 F HA -0.178 4.350 4.527 0.001 0.000 0.299 21 F C 2.169 177.666 175.800 -0.505 0.000 1.087 21 F CA 0.907 58.386 58.000 -0.868 0.000 1.340 21 F CB -0.177 38.266 39.000 -0.928 0.000 1.031 21 F HN -0.059 nan 8.300 nan 0.000 0.500 22 S N -0.083 115.402 115.700 -0.359 0.000 2.383 22 S HA -0.279 4.191 4.470 0.001 0.000 0.229 22 S C 2.008 176.429 174.600 -0.298 0.000 1.030 22 S CA 1.470 59.472 58.200 -0.330 0.000 1.002 22 S CB -0.502 62.610 63.200 -0.146 0.000 0.829 22 S HN 0.607 nan 8.310 nan 0.000 0.467 23 Q N 0.226 119.915 119.800 -0.185 0.000 2.172 23 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 23 Q C 1.879 177.815 176.000 -0.106 0.000 0.964 23 Q CA 0.829 56.598 55.803 -0.057 0.000 0.855 23 Q CB -0.044 28.777 28.738 0.138 0.000 0.918 23 Q HN 0.384 nan 8.270 nan 0.000 0.444 24 I N 0.511 120.931 120.570 -0.250 0.000 2.142 24 I HA -0.233 3.937 4.170 0.001 0.000 0.240 24 I C 2.393 178.270 176.117 -0.400 0.000 1.078 24 I CA 0.954 62.057 61.300 -0.328 0.000 1.343 24 I CB -1.293 36.375 38.000 -0.552 0.000 1.046 24 I HN 0.088 nan 8.210 nan 0.000 0.405 25 V N 0.854 120.376 119.914 -0.652 0.000 2.515 25 V HA -0.201 3.919 4.120 0.001 0.000 0.250 25 V C 2.727 178.654 176.094 -0.277 0.000 1.058 25 V CA 1.451 63.438 62.300 -0.523 0.000 1.064 25 V CB -0.771 30.641 31.823 -0.686 0.000 0.675 25 V HN 0.389 nan 8.190 nan 0.000 0.461 26 R N -0.076 120.288 120.500 -0.227 0.000 2.062 26 R HA -0.101 4.240 4.340 0.001 0.000 0.231 26 R C 2.386 178.637 176.300 -0.082 0.000 1.136 26 R CA 1.694 57.719 56.100 -0.125 0.000 0.948 26 R CB -0.508 29.736 30.300 -0.092 0.000 0.845 26 R HN 0.397 nan 8.270 nan 0.000 0.430 27 V N 1.286 121.163 119.914 -0.061 0.000 2.626 27 V HA -0.131 3.989 4.120 0.001 0.000 0.252 27 V C 1.994 178.075 176.094 -0.021 0.000 1.067 27 V CA 1.370 63.663 62.300 -0.013 0.000 1.081 27 V CB -0.140 31.727 31.823 0.072 0.000 0.686 27 V HN 0.319 nan 8.190 nan 0.000 0.468 28 L N -0.474 120.713 121.223 -0.060 0.000 2.552 28 L HA -0.006 4.335 4.340 0.001 0.000 0.227 28 L C 2.114 178.956 176.870 -0.047 0.000 1.146 28 L CA 1.326 56.134 54.840 -0.054 0.000 0.858 28 L CB -0.311 41.695 42.059 -0.088 0.000 0.969 28 L HN 0.336 nan 8.230 nan 0.000 0.451 29 T N -1.581 112.942 114.554 -0.052 0.000 3.000 29 T HA -0.030 4.320 4.350 0.001 0.000 0.248 29 T C 1.592 176.280 174.700 -0.020 0.000 1.034 29 T CA 0.357 62.434 62.100 -0.038 0.000 1.060 29 T CB 0.389 69.225 68.868 -0.053 0.000 0.983 29 T HN 0.471 nan 8.240 nan 0.000 0.482 30 E N 1.259 121.446 120.200 -0.022 0.000 2.340 30 E HA -0.051 4.300 4.350 0.001 0.000 0.194 30 E C 1.517 178.116 176.600 -0.003 0.000 0.996 30 E CA 0.451 56.842 56.400 -0.015 0.000 0.869 30 E CB -0.188 29.497 29.700 -0.025 0.000 0.835 30 E HN 0.139 nan 8.360 nan 0.000 0.493 31 D N 1.792 122.193 120.400 0.002 0.000 2.239 31 D HA -0.186 4.455 4.640 0.001 0.000 0.202 31 D C 0.962 177.302 176.300 0.067 0.000 0.993 31 D CA 1.004 55.016 54.000 0.020 0.000 0.874 31 D CB 0.183 40.993 40.800 0.016 0.000 0.922 31 D HN 0.233 nan 8.370 nan 0.000 0.464 32 E N -0.871 119.371 120.200 0.071 0.000 2.548 32 E HA 0.116 4.466 4.350 0.001 0.000 0.206 32 E C 1.774 178.434 176.600 0.100 0.000 1.005 32 E CA -0.161 56.329 56.400 0.150 0.000 0.951 32 E CB 0.135 29.891 29.700 0.094 0.000 1.035 32 E HN 0.456 nan 8.360 nan 0.000 0.470 33 M N -0.105 119.512 119.600 0.029 0.000 2.213 33 M HA -0.047 4.433 4.480 0.001 0.000 0.263 33 M C 1.794 178.058 176.300 -0.059 0.000 1.062 33 M CA 1.617 56.911 55.300 -0.010 0.000 1.105 33 M CB -0.206 32.380 32.600 -0.023 0.000 1.385 33 M HN 0.054 nan 8.290 nan 0.000 0.417 34 G N -0.756 107.966 108.800 -0.130 0.000 3.279 34 G HA2 -0.025 3.935 3.960 0.001 0.000 0.230 34 G HA3 -0.025 3.935 3.960 0.001 0.000 0.230 34 G C -0.005 174.523 174.900 -0.620 0.000 1.230 34 G CA 0.024 44.934 45.100 -0.317 0.000 0.891 34 G HN 0.524 nan 8.290 nan 0.000 0.518 35 H N -0.553 118.510 119.070 -0.012 0.000 2.600 35 H HA 0.145 4.701 4.556 0.001 0.000 0.224 35 H C -2.096 173.228 175.328 -0.008 0.000 1.413 35 H CA -1.110 54.933 56.048 -0.009 0.000 1.401 35 H CB 1.624 31.380 29.762 -0.009 0.000 1.772 35 H HN 0.096 nan 8.280 nan 0.000 0.528 36 P HA -0.183 nan 4.420 nan 0.000 0.219 36 P C 1.537 178.861 177.300 0.040 0.000 1.146 36 P CA 1.268 64.388 63.100 0.033 0.000 0.808 36 P CB 0.337 32.042 31.700 0.008 0.000 0.779 37 E N 0.585 120.816 120.200 0.051 0.000 2.204 37 E HA -0.151 4.200 4.350 0.001 0.000 0.195 37 E C 1.653 178.274 176.600 0.035 0.000 0.990 37 E CA 0.934 57.358 56.400 0.039 0.000 0.821 37 E CB -0.993 28.732 29.700 0.041 0.000 0.750 37 E HN 0.378 nan 8.360 nan 0.000 0.477 38 I N -1.822 118.774 120.570 0.044 0.000 3.855 38 I HA 0.385 4.556 4.170 0.001 0.000 0.327 38 I C 1.657 177.790 176.117 0.027 0.000 1.359 38 I CA 0.033 61.349 61.300 0.028 0.000 1.142 38 I CB 0.111 38.120 38.000 0.015 0.000 1.041 38 I HN -0.004 nan 8.210 nan 0.000 0.403 39 G N 1.850 110.667 108.800 0.029 0.000 2.469 39 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 39 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 39 G C 1.059 175.971 174.900 0.021 0.000 1.150 39 G CA 1.271 46.385 45.100 0.023 0.000 0.763 39 G HN 0.419 nan 8.290 nan 0.000 0.561 40 D N 0.788 121.201 120.400 0.022 0.000 2.178 40 D HA 0.049 4.689 4.640 0.001 0.000 0.202 40 D C 2.744 179.061 176.300 0.028 0.000 0.974 40 D CA 1.064 55.079 54.000 0.024 0.000 0.841 40 D CB -0.383 40.431 40.800 0.023 0.000 0.953 40 D HN 0.335 nan 8.370 nan 0.000 0.478 41 A N 1.014 123.849 122.820 0.025 0.000 1.873 41 A HA -0.105 4.215 4.320 0.001 0.000 0.215 41 A C 2.129 179.726 177.584 0.023 0.000 1.186 41 A CA 0.670 52.723 52.037 0.026 0.000 0.616 41 A CB -0.436 18.574 19.000 0.017 0.000 0.823 41 A HN 0.097 nan 8.150 nan 0.000 0.442 42 I N 0.159 120.739 120.570 0.017 0.000 2.361 42 I HA -0.232 3.939 4.170 0.001 0.000 0.251 42 I C 2.844 178.967 176.117 0.010 0.000 1.133 42 I CA 1.388 62.694 61.300 0.009 0.000 1.413 42 I CB -1.495 36.510 38.000 0.008 0.000 1.073 42 I HN 0.374 nan 8.210 nan 0.000 0.424 43 A N 0.923 123.754 122.820 0.019 0.000 1.930 43 A HA -0.232 4.089 4.320 0.001 0.000 0.217 43 A C 2.434 180.042 177.584 0.040 0.000 1.175 43 A CA 1.764 53.816 52.037 0.025 0.000 0.627 43 A CB -0.499 18.518 19.000 0.029 0.000 0.815 43 A HN 0.325 nan 8.150 nan 0.000 0.443 44 R N -0.315 120.216 120.500 0.051 0.000 2.092 44 R HA -0.045 4.295 4.340 0.001 0.000 0.231 44 R C 1.823 178.160 176.300 0.062 0.000 1.119 44 R CA 1.586 57.735 56.100 0.082 0.000 0.970 44 R CB -0.841 29.514 30.300 0.092 0.000 0.864 44 R HN 0.413 nan 8.270 nan 0.000 0.440 45 L N 0.966 122.208 121.223 0.031 0.000 2.046 45 L HA -0.062 4.278 4.340 0.001 0.000 0.208 45 L C 2.153 179.014 176.870 -0.015 0.000 1.077 45 L CA 1.991 56.833 54.840 0.004 0.000 0.747 45 L CB -0.667 41.389 42.059 -0.005 0.000 0.896 45 L HN 0.265 nan 8.230 nan 0.000 0.432 46 K N -0.302 120.092 120.400 -0.010 0.000 2.009 46 K HA -0.297 4.023 4.320 0.001 0.000 0.210 46 K C 2.190 178.792 176.600 0.004 0.000 1.049 46 K CA 2.115 58.392 56.287 -0.018 0.000 0.929 46 K CB -0.310 32.183 32.500 -0.013 0.000 0.714 46 K HN 0.556 nan 8.250 nan 0.000 0.440 47 E N -0.006 120.211 120.200 0.027 0.000 2.118 47 E HA -0.175 4.175 4.350 0.001 0.000 0.195 47 E C 1.819 178.361 176.600 -0.096 0.000 0.992 47 E CA 1.362 57.790 56.400 0.047 0.000 0.804 47 E CB 0.143 29.924 29.700 0.135 0.000 0.741 47 E HN 0.183 nan 8.360 nan 0.000 0.458 48 V N 0.942 120.750 119.914 -0.176 0.000 2.358 48 V HA -0.239 3.881 4.120 0.001 0.000 0.246 48 V C 2.367 178.313 176.094 -0.246 0.000 1.047 48 V CA 1.335 63.373 62.300 -0.437 0.000 1.035 48 V CB -0.389 31.280 31.823 -0.256 0.000 0.658 48 V HN 0.291 nan 8.190 nan 0.000 0.452 49 L N -0.214 120.970 121.223 -0.065 0.000 1.994 49 L HA -0.150 4.191 4.340 0.001 0.000 0.208 49 L C 2.712 179.675 176.870 0.155 0.000 1.071 49 L CA 1.683 56.567 54.840 0.073 0.000 0.745 49 L CB -0.759 41.355 42.059 0.092 0.000 0.892 49 L HN 0.334 nan 8.230 nan 0.000 0.431 50 E N -0.769 119.518 120.200 0.145 0.000 2.153 50 E HA -0.263 4.087 4.350 0.001 0.000 0.194 50 E C 1.998 178.648 176.600 0.084 0.000 0.988 50 E CA 1.461 57.964 56.400 0.171 0.000 0.811 50 E CB -0.238 29.549 29.700 0.146 0.000 0.746 50 E HN 0.530 nan 8.360 nan 0.000 0.466 51 Y N 1.204 121.448 120.300 -0.093 0.000 2.420 51 Y HA 0.024 4.575 4.550 0.001 0.000 0.292 51 Y C 1.629 177.469 175.900 -0.101 0.000 1.119 51 Y CA 0.995 59.033 58.100 -0.103 0.000 1.229 51 Y CB 0.412 38.738 38.460 -0.224 0.000 1.026 51 Y HN -0.051 nan 8.280 nan 0.000 0.554 52 N N -1.212 117.497 118.700 0.014 0.000 2.257 52 N HA 0.181 4.921 4.740 0.001 0.000 0.200 52 N C 0.989 176.542 175.510 0.073 0.000 1.163 52 N CA 0.804 53.874 53.050 0.034 0.000 0.891 52 N CB 0.545 39.008 38.487 -0.040 0.000 1.067 52 N HN 0.226 nan 8.380 nan 0.000 0.497 53 A N 0.369 123.237 122.820 0.081 0.000 2.387 53 A HA 0.337 4.658 4.320 0.001 0.000 0.234 53 A C 0.295 177.957 177.584 0.131 0.000 1.253 53 A CA 0.133 52.272 52.037 0.170 0.000 0.894 53 A CB 0.259 19.405 19.000 0.243 0.000 0.963 53 A HN -0.015 nan 8.150 nan 0.000 0.508 54 I N -1.536 119.046 120.570 0.020 0.000 2.647 54 I HA 0.570 4.740 4.170 0.001 0.000 0.295 54 I C 1.015 177.125 176.117 -0.012 0.000 1.078 54 I CA 0.429 61.757 61.300 0.046 0.000 1.048 54 I CB 1.304 39.243 38.000 -0.101 0.000 1.239 54 I HN 0.339 nan 8.210 nan 0.000 0.421 55 G N 3.471 112.258 108.800 -0.021 0.000 2.192 55 G HA2 -0.114 3.847 3.960 0.001 0.000 0.193 55 G HA3 -0.114 3.847 3.960 0.001 0.000 0.193 55 G C 0.339 175.107 174.900 -0.221 0.000 0.999 55 G CA -0.164 44.873 45.100 -0.104 0.000 0.659 55 G HN 1.032 nan 8.290 nan 0.000 0.503 56 G N -0.561 107.974 108.800 -0.441 0.000 2.671 56 G HA2 0.588 4.549 3.960 0.001 0.000 0.275 56 G HA3 0.588 4.549 3.960 0.001 0.000 0.275 56 G C 0.701 175.155 174.900 -0.744 0.000 1.368 56 G CA 0.125 44.944 45.100 -0.470 0.000 1.044 56 G HN 0.219 nan 8.290 nan 0.000 0.543 57 K N -1.298 118.796 120.400 -0.510 0.000 2.379 57 K HA 0.156 4.477 4.320 0.001 0.000 0.194 57 K C -0.254 176.182 176.600 -0.273 0.000 1.031 57 K CA -0.055 56.022 56.287 -0.350 0.000 1.037 57 K CB 0.127 32.528 32.500 -0.165 0.000 0.824 57 K HN 0.535 nan 8.250 nan 0.000 0.516 58 Y N -0.554 119.687 120.300 -0.098 0.000 4.604 58 Y HA -0.338 4.213 4.550 0.001 0.000 0.230 58 Y C 1.065 176.791 175.900 -0.290 0.000 1.066 58 Y CA -0.060 57.928 58.100 -0.187 0.000 1.990 58 Y CB -2.507 35.871 38.460 -0.137 0.000 1.619 58 Y HN 0.180 nan 8.280 nan 0.000 0.649 59 N N 0.751 119.345 118.700 -0.175 0.000 2.061 59 N HA -0.158 4.582 4.740 0.001 0.000 0.193 59 N C 1.803 177.136 175.510 -0.295 0.000 1.030 59 N CA 2.040 54.922 53.050 -0.280 0.000 0.856 59 N CB -0.257 38.038 38.487 -0.320 0.000 1.023 59 N HN 0.599 nan 8.380 nan 0.000 0.424 60 R N -0.215 120.108 120.500 -0.295 0.000 2.081 60 R HA -0.017 4.323 4.340 0.001 0.000 0.235 60 R C 2.359 178.510 176.300 -0.249 0.000 1.131 60 R CA 1.367 57.285 56.100 -0.303 0.000 0.960 60 R CB -0.611 29.533 30.300 -0.260 0.000 0.856 60 R HN 0.250 nan 8.270 nan 0.000 0.436 61 G N 0.850 109.467 108.800 -0.305 0.000 2.394 61 G HA2 -0.189 3.771 3.960 0.001 0.000 0.215 61 G HA3 -0.189 3.771 3.960 0.001 0.000 0.215 61 G C 1.418 175.902 174.900 -0.692 0.000 1.165 61 G CA 0.275 45.091 45.100 -0.474 0.000 0.784 61 G HN 0.113 nan 8.290 nan 0.000 0.535 62 L N 0.746 121.539 121.223 -0.718 0.000 2.187 62 L HA -0.107 4.233 4.340 0.001 0.000 0.213 62 L C 3.106 179.912 176.870 -0.107 0.000 1.100 62 L CA 1.386 55.970 54.840 -0.427 0.000 0.765 62 L CB -0.635 41.388 42.059 -0.061 0.000 0.904 62 L HN 0.192 nan 8.230 nan 0.000 0.437 63 T N -0.684 113.865 114.554 -0.008 0.000 2.737 63 T HA -0.141 4.210 4.350 0.001 0.000 0.265 63 T C 2.053 176.705 174.700 -0.080 0.000 1.038 63 T CA 1.218 63.349 62.100 0.052 0.000 1.144 63 T CB -0.211 68.653 68.868 -0.007 0.000 0.866 63 T HN 0.050 nan 8.240 nan 0.000 0.434 64 V N 1.428 121.279 119.914 -0.105 0.000 2.278 64 V HA -0.202 3.918 4.120 0.001 0.000 0.251 64 V C 2.645 178.724 176.094 -0.025 0.000 1.062 64 V CA 1.633 63.892 62.300 -0.069 0.000 1.038 64 V CB -0.816 30.980 31.823 -0.044 0.000 0.646 64 V HN 0.317 nan 8.190 nan 0.000 0.447 65 V N -0.696 119.191 119.914 -0.044 0.000 2.270 65 V HA -0.218 3.902 4.120 0.001 0.000 0.245 65 V C 2.393 178.511 176.094 0.041 0.000 1.043 65 V CA 1.953 64.278 62.300 0.043 0.000 1.014 65 V CB -0.457 31.395 31.823 0.048 0.000 0.645 65 V HN 0.386 nan 8.190 nan 0.000 0.447 66 V N 0.447 120.293 119.914 -0.114 0.000 2.282 66 V HA -0.324 3.797 4.120 0.001 0.000 0.249 66 V C 2.703 178.712 176.094 -0.142 0.000 1.057 66 V CA 2.321 64.490 62.300 -0.219 0.000 1.032 66 V CB -1.158 30.321 31.823 -0.575 0.000 0.645 66 V HN 0.583 nan 8.190 nan 0.000 0.447 67 A N -1.148 121.600 122.820 -0.121 0.000 2.019 67 A HA -0.207 4.113 4.320 0.001 0.000 0.219 67 A C 2.052 179.614 177.584 -0.036 0.000 1.164 67 A CA 1.776 53.742 52.037 -0.119 0.000 0.644 67 A CB -0.636 18.276 19.000 -0.146 0.000 0.805 67 A HN 0.558 nan 8.150 nan 0.000 0.449 68 F N 0.877 120.758 119.950 -0.115 0.000 2.128 68 F HA -0.093 4.434 4.527 0.001 0.000 0.295 68 F C 2.342 178.106 175.800 -0.060 0.000 1.100 68 F CA 1.561 59.515 58.000 -0.078 0.000 1.260 68 F CB -0.198 38.778 39.000 -0.041 0.000 1.009 68 F HN 0.114 nan 8.300 nan 0.000 0.476 69 R N 0.341 120.819 120.500 -0.038 0.000 2.152 69 R HA -0.138 4.203 4.340 0.001 0.000 0.232 69 R C 1.834 178.032 176.300 -0.169 0.000 1.117 69 R CA 1.656 57.678 56.100 -0.130 0.000 0.981 69 R CB -0.593 29.693 30.300 -0.022 0.000 0.870 69 R HN 0.471 nan 8.270 nan 0.000 0.451 70 E N 0.271 120.380 120.200 -0.152 0.000 2.299 70 E HA 0.007 4.357 4.350 0.001 0.000 0.193 70 E C 1.688 178.194 176.600 -0.157 0.000 0.998 70 E CA 0.478 56.791 56.400 -0.144 0.000 0.851 70 E CB 0.268 29.883 29.700 -0.142 0.000 0.795 70 E HN 0.286 nan 8.360 nan 0.000 0.492 71 L N 0.149 121.255 121.223 -0.195 0.000 2.515 71 L HA 0.158 4.498 4.340 0.001 0.000 0.223 71 L C 0.324 177.072 176.870 -0.203 0.000 1.079 71 L CA 0.001 54.736 54.840 -0.175 0.000 0.857 71 L CB 0.844 42.811 42.059 -0.152 0.000 1.050 71 L HN -0.116 nan 8.230 nan 0.000 0.476 72 V N 0.574 120.287 119.914 -0.336 0.000 2.435 72 V HA 0.150 4.270 4.120 0.001 0.000 0.290 72 V C 0.175 176.116 176.094 -0.254 0.000 1.030 72 V CA -0.860 61.227 62.300 -0.354 0.000 0.881 72 V CB 1.754 33.141 31.823 -0.726 0.000 0.983 72 V HN 0.144 nan 8.190 nan 0.000 0.445 73 E N 6.205 126.314 120.200 -0.150 0.000 2.415 73 E HA 0.057 4.407 4.350 0.001 0.000 0.263 73 E C -1.653 174.891 176.600 -0.094 0.000 0.995 73 E CA -1.216 55.124 56.400 -0.099 0.000 0.915 73 E CB 1.212 30.879 29.700 -0.056 0.000 0.951 73 E HN 0.406 nan 8.360 nan 0.000 0.449 74 P HA -0.200 nan 4.420 nan 0.000 0.217 74 P C 0.349 177.635 177.300 -0.024 0.000 1.148 74 P CA 1.475 64.544 63.100 -0.051 0.000 0.828 74 P CB -0.004 31.675 31.700 -0.034 0.000 0.783 75 R N -0.616 119.873 120.500 -0.018 0.000 2.404 75 R HA 0.173 4.514 4.340 0.001 0.000 0.236 75 R C 1.031 177.335 176.300 0.006 0.000 1.044 75 R CA 0.500 56.599 56.100 -0.001 0.000 1.133 75 R CB -0.411 29.889 30.300 0.000 0.000 1.142 75 R HN 0.090 nan 8.270 nan 0.000 0.512 76 K N 0.117 120.516 120.400 -0.001 0.000 2.517 76 K HA 0.084 4.405 4.320 0.001 0.000 0.210 76 K C -0.138 176.491 176.600 0.048 0.000 1.166 76 K CA -0.088 56.212 56.287 0.020 0.000 1.030 76 K CB 1.091 33.596 32.500 0.007 0.000 0.974 76 K HN 0.270 nan 8.250 nan 0.000 0.585 77 Q N 2.962 122.780 119.800 0.030 0.000 3.247 77 Q HA 0.013 4.354 4.340 0.001 0.000 0.326 77 Q C -0.521 175.552 176.000 0.123 0.000 1.402 77 Q CA 0.001 55.861 55.803 0.095 0.000 0.994 77 Q CB -0.026 28.739 28.738 0.045 0.000 1.647 77 Q HN 0.253 nan 8.270 nan 0.000 0.523 78 D N -0.207 120.264 120.400 0.119 0.000 2.369 78 D HA 0.001 4.641 4.640 0.001 0.000 0.241 78 D C 0.870 177.238 176.300 0.114 0.000 1.271 78 D CA -0.134 53.925 54.000 0.098 0.000 0.942 78 D CB 0.762 41.606 40.800 0.074 0.000 1.129 78 D HN 0.187 nan 8.370 nan 0.000 0.476 79 A N -0.094 122.781 122.820 0.092 0.000 2.067 79 A HA -0.163 4.158 4.320 0.001 0.000 0.219 79 A C 1.467 179.097 177.584 0.076 0.000 1.158 79 A CA 1.307 53.404 52.037 0.100 0.000 0.661 79 A CB -0.295 18.756 19.000 0.085 0.000 0.801 79 A HN 0.466 nan 8.150 nan 0.000 0.452 80 D N -0.833 119.601 120.400 0.056 0.000 2.201 80 D HA 0.003 4.643 4.640 0.001 0.000 0.209 80 D C 2.194 178.503 176.300 0.016 0.000 0.961 80 D CA 1.273 55.284 54.000 0.019 0.000 0.861 80 D CB -0.357 40.452 40.800 0.014 0.000 0.997 80 D HN 0.293 nan 8.370 nan 0.000 0.486 81 S N 0.538 116.291 115.700 0.088 0.000 2.382 81 S HA -0.060 4.410 4.470 0.001 0.000 0.228 81 S C 2.114 176.734 174.600 0.034 0.000 1.027 81 S CA 0.524 58.813 58.200 0.147 0.000 0.991 81 S CB -0.195 63.209 63.200 0.341 0.000 0.823 81 S HN 0.229 nan 8.310 nan 0.000 0.469 82 L N 1.045 122.338 121.223 0.116 0.000 2.083 82 L HA -0.156 4.184 4.340 0.001 0.000 0.209 82 L C 2.784 179.546 176.870 -0.180 0.000 1.083 82 L CA 1.298 56.200 54.840 0.104 0.000 0.752 82 L CB -0.419 41.784 42.059 0.240 0.000 0.899 82 L HN 0.404 nan 8.230 nan 0.000 0.433 83 Q N 0.065 119.689 119.800 -0.293 0.000 2.123 83 Q HA -0.169 4.171 4.340 0.001 0.000 0.199 83 Q C 2.344 177.746 176.000 -0.997 0.000 0.966 83 Q CA 1.087 56.392 55.803 -0.831 0.000 0.845 83 Q CB 0.150 28.659 28.738 -0.381 0.000 0.907 83 Q HN 0.378 nan 8.270 nan 0.000 0.439 84 R N -0.186 120.034 120.500 -0.467 0.000 2.096 84 R HA -0.112 4.229 4.340 0.001 0.000 0.235 84 R C 2.276 178.313 176.300 -0.438 0.000 1.127 84 R CA 1.040 56.933 56.100 -0.345 0.000 0.968 84 R CB -0.291 29.955 30.300 -0.090 0.000 0.861 84 R HN 0.280 nan 8.270 nan 0.000 0.440 85 A N 1.575 124.051 122.820 -0.573 0.000 1.877 85 A HA -0.164 4.157 4.320 0.001 0.000 0.216 85 A C 1.884 179.372 177.584 -0.160 0.000 1.186 85 A CA 1.318 52.998 52.037 -0.596 0.000 0.620 85 A CB -0.849 17.560 19.000 -0.985 0.000 0.822 85 A HN 0.719 nan 8.150 nan 0.000 0.443 86 W N -1.119 120.154 121.300 -0.046 0.000 3.139 86 W HA 0.116 4.777 4.660 0.001 0.000 0.260 86 W C 0.935 177.578 176.519 0.207 0.000 1.312 86 W CA 0.841 58.299 57.345 0.188 0.000 1.606 86 W CB -1.001 28.664 29.460 0.341 0.000 1.118 86 W HN 0.183 nan 8.180 nan 0.000 0.675 87 T N 2.286 116.745 114.554 -0.159 0.000 2.770 87 T HA -0.152 4.199 4.350 0.001 0.000 0.263 87 T C 2.117 176.832 174.700 0.024 0.000 1.039 87 T CA 1.761 63.745 62.100 -0.194 0.000 1.142 87 T CB -0.531 67.841 68.868 -0.828 0.000 0.868 87 T HN -0.029 nan 8.240 nan 0.000 0.435 88 V N 1.585 121.481 119.914 -0.030 0.000 2.490 88 V HA -0.108 4.012 4.120 0.001 0.000 0.250 88 V C 2.791 179.005 176.094 0.200 0.000 1.061 88 V CA 1.865 64.206 62.300 0.069 0.000 1.064 88 V CB -1.340 30.511 31.823 0.046 0.000 0.670 88 V HN 0.601 nan 8.190 nan 0.000 0.461 89 G N -1.315 107.618 108.800 0.222 0.000 2.421 89 G HA2 -0.273 3.687 3.960 0.001 0.000 0.216 89 G HA3 -0.273 3.687 3.960 0.001 0.000 0.216 89 G C 1.360 176.456 174.900 0.327 0.000 1.171 89 G CA 0.636 45.873 45.100 0.228 0.000 0.775 89 G HN 0.586 nan 8.290 nan 0.000 0.543 90 W N 0.102 121.711 121.300 0.515 0.000 2.425 90 W HA -0.028 4.632 4.660 0.001 0.000 0.277 90 W C 2.738 179.398 176.519 0.234 0.000 1.231 90 W CA 0.361 57.940 57.345 0.389 0.000 1.248 90 W CB -0.300 29.296 29.460 0.226 0.000 1.117 90 W HN 0.180 nan 8.180 nan 0.000 0.568 91 C N -1.009 118.492 119.300 0.335 0.000 2.425 91 C HA -0.178 4.283 4.460 0.001 0.000 0.277 91 C C 2.604 177.796 174.990 0.337 0.000 1.280 91 C CA 0.987 60.084 59.018 0.132 0.000 1.744 91 C CB -1.274 26.336 27.740 -0.217 0.000 1.989 91 C HN 0.153 nan 8.230 nan 0.000 0.491 92 V N 0.631 120.811 119.914 0.443 0.000 2.453 92 V HA -0.138 3.983 4.120 0.001 0.000 0.247 92 V C 2.484 178.786 176.094 0.347 0.000 1.048 92 V CA 1.674 64.236 62.300 0.437 0.000 1.049 92 V CB -0.602 31.357 31.823 0.228 0.000 0.672 92 V HN 0.516 nan 8.190 nan 0.000 0.457 93 E N 0.128 120.514 120.200 0.309 0.000 2.150 93 E HA -0.112 4.238 4.350 0.001 0.000 0.193 93 E C 2.203 179.031 176.600 0.379 0.000 0.985 93 E CA 0.944 57.534 56.400 0.317 0.000 0.814 93 E CB -0.147 29.732 29.700 0.298 0.000 0.752 93 E HN 0.519 nan 8.360 nan 0.000 0.466 94 L N 0.192 121.645 121.223 0.384 0.000 2.072 94 L HA -0.158 4.183 4.340 0.001 0.000 0.205 94 L C 2.520 179.560 176.870 0.282 0.000 1.079 94 L CA 0.370 55.387 54.840 0.295 0.000 0.752 94 L CB -0.366 41.812 42.059 0.199 0.000 0.906 94 L HN 0.135 nan 8.230 nan 0.000 0.436 95 L N 0.245 121.673 121.223 0.342 0.000 2.012 95 L HA -0.272 4.068 4.340 0.001 0.000 0.210 95 L C 2.625 179.766 176.870 0.451 0.000 1.073 95 L CA 1.943 57.040 54.840 0.428 0.000 0.748 95 L CB -0.560 41.842 42.059 0.571 0.000 0.891 95 L HN 0.278 nan 8.230 nan 0.000 0.431 96 Q N -0.560 119.505 119.800 0.442 0.000 2.050 96 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 96 Q C 2.139 178.320 176.000 0.302 0.000 0.980 96 Q CA 2.247 58.304 55.803 0.423 0.000 0.840 96 Q CB -0.459 28.511 28.738 0.388 0.000 0.898 96 Q HN 0.543 nan 8.270 nan 0.000 0.424 97 A N 0.060 123.042 122.820 0.270 0.000 1.908 97 A HA -0.168 4.153 4.320 0.001 0.000 0.218 97 A C 2.000 179.700 177.584 0.192 0.000 1.181 97 A CA 1.495 53.660 52.037 0.212 0.000 0.627 97 A CB -1.164 17.959 19.000 0.207 0.000 0.818 97 A HN 0.638 nan 8.150 nan 0.000 0.445 98 F N 0.039 119.980 119.950 -0.015 0.000 2.091 98 F HA -0.183 4.345 4.527 0.001 0.000 0.299 98 F C 1.780 177.445 175.800 -0.225 0.000 1.103 98 F CA 1.575 59.471 58.000 -0.173 0.000 1.228 98 F CB -0.779 38.021 39.000 -0.332 0.000 0.984 98 F HN 0.197 nan 8.300 nan 0.000 0.477 99 F N 0.217 120.026 119.950 -0.235 0.000 2.325 99 F HA -0.052 4.475 4.527 0.001 0.000 0.299 99 F C 2.244 177.943 175.800 -0.168 0.000 1.090 99 F CA 0.914 58.675 58.000 -0.398 0.000 1.392 99 F CB -0.763 38.002 39.000 -0.391 0.000 1.053 99 F HN -0.016 nan 8.300 nan 0.000 0.521 100 L N -1.292 120.002 121.223 0.119 0.000 2.095 100 L HA -0.134 4.206 4.340 0.001 0.000 0.204 100 L C 2.386 179.325 176.870 0.115 0.000 1.080 100 L CA 0.543 55.462 54.840 0.130 0.000 0.759 100 L CB -0.877 41.277 42.059 0.157 0.000 0.914 100 L HN -0.072 nan 8.230 nan 0.000 0.439 101 V N 0.618 120.603 119.914 0.119 0.000 2.252 101 V HA -0.346 3.775 4.120 0.001 0.000 0.249 101 V C 2.802 178.951 176.094 0.091 0.000 1.056 101 V CA 2.122 64.523 62.300 0.169 0.000 1.022 101 V CB -0.837 31.099 31.823 0.189 0.000 0.641 101 V HN 0.497 nan 8.190 nan 0.000 0.445 102 A N -0.314 122.505 122.820 -0.001 0.000 1.898 102 A HA -0.286 4.035 4.320 0.001 0.000 0.216 102 A C 2.032 179.581 177.584 -0.059 0.000 1.181 102 A CA 2.088 54.090 52.037 -0.057 0.000 0.620 102 A CB -0.724 18.190 19.000 -0.143 0.000 0.819 102 A HN 0.642 nan 8.150 nan 0.000 0.442 103 D N -0.399 119.991 120.400 -0.017 0.000 2.144 103 D HA -0.154 4.486 4.640 0.001 0.000 0.199 103 D C 1.144 177.442 176.300 -0.003 0.000 0.984 103 D CA 1.412 55.415 54.000 0.004 0.000 0.834 103 D CB -0.065 40.763 40.800 0.047 0.000 0.955 103 D HN 0.341 nan 8.370 nan 0.000 0.465 104 D N -0.486 119.929 120.400 0.025 0.000 2.224 104 D HA -0.053 4.587 4.640 0.001 0.000 0.205 104 D C 2.055 178.266 176.300 -0.148 0.000 0.965 104 D CA 0.442 54.488 54.000 0.077 0.000 0.852 104 D CB 0.029 40.983 40.800 0.257 0.000 0.947 104 D HN 0.413 nan 8.370 nan 0.000 0.494 105 I N 0.099 120.406 120.570 -0.439 0.000 2.277 105 I HA -0.161 4.009 4.170 0.001 0.000 0.243 105 I C 2.338 178.254 176.117 -0.335 0.000 1.094 105 I CA 0.726 61.545 61.300 -0.801 0.000 1.393 105 I CB -0.096 37.543 38.000 -0.603 0.000 1.078 105 I HN -0.094 nan 8.210 nan 0.000 0.417 106 M N -0.071 119.424 119.600 -0.176 0.000 2.394 106 M HA -0.126 4.355 4.480 0.001 0.000 0.264 106 M C 0.838 177.111 176.300 -0.045 0.000 1.073 106 M CA 1.265 56.513 55.300 -0.086 0.000 1.111 106 M CB -0.244 32.326 32.600 -0.051 0.000 1.401 106 M HN 0.119 nan 8.290 nan 0.000 0.448 107 D N -0.108 120.272 120.400 -0.032 0.000 2.339 107 D HA 0.080 4.720 4.640 0.001 0.000 0.217 107 D C 0.310 176.625 176.300 0.026 0.000 1.050 107 D CA 0.314 54.316 54.000 0.004 0.000 0.856 107 D CB 0.199 41.011 40.800 0.020 0.000 0.922 107 D HN 0.070 nan 8.370 nan 0.000 0.518 108 S N -0.150 115.569 115.700 0.032 0.000 3.614 108 S HA -0.174 4.297 4.470 0.001 0.000 0.360 108 S C 0.467 175.166 174.600 0.164 0.000 1.023 108 S CA 0.232 58.506 58.200 0.123 0.000 1.114 108 S CB -1.686 61.558 63.200 0.074 0.000 0.907 108 S HN 0.179 nan 8.310 nan 0.000 0.470 109 S N -0.042 115.775 115.700 0.194 0.000 2.600 109 S HA 0.480 4.951 4.470 0.001 0.000 0.265 109 S C 1.549 176.247 174.600 0.164 0.000 1.325 109 S CA -0.504 57.790 58.200 0.157 0.000 1.002 109 S CB 0.742 64.029 63.200 0.146 0.000 0.921 109 S HN 0.419 nan 8.310 nan 0.000 0.554 110 L N 0.324 121.593 121.223 0.077 0.000 2.433 110 L HA 0.189 4.530 4.340 0.001 0.000 0.200 110 L C 1.012 177.896 176.870 0.024 0.000 1.059 110 L CA 0.363 55.214 54.840 0.018 0.000 0.835 110 L CB -0.013 42.045 42.059 -0.001 0.000 1.076 110 L HN 0.738 nan 8.230 nan 0.000 0.481 111 T N -1.540 113.043 114.554 0.048 0.000 2.906 111 T HA 0.704 5.054 4.350 0.001 0.000 0.295 111 T C -0.749 173.995 174.700 0.073 0.000 1.075 111 T CA -0.764 61.370 62.100 0.056 0.000 1.005 111 T CB 2.967 71.853 68.868 0.029 0.000 1.136 111 T HN 0.087 nan 8.240 nan 0.000 0.498 112 R N 0.418 120.965 120.500 0.078 0.000 2.561 112 R HA 0.573 4.914 4.340 0.001 0.000 0.266 112 R C -0.829 175.491 176.300 0.033 0.000 1.091 112 R CA -0.503 55.639 56.100 0.070 0.000 0.927 112 R CB 0.905 31.277 30.300 0.119 0.000 1.240 112 R HN 0.802 nan 8.270 nan 0.000 0.449 113 R N 3.329 123.831 120.500 0.003 0.000 3.251 113 R HA -0.211 4.129 4.340 0.001 0.000 0.249 113 R C 0.682 176.959 176.300 -0.037 0.000 0.949 113 R CA 1.167 57.247 56.100 -0.033 0.000 0.645 113 R CB -1.822 28.443 30.300 -0.058 0.000 1.065 113 R HN 1.269 nan 8.270 nan 0.000 0.452 114 G N -0.889 107.900 108.800 -0.019 0.000 2.189 114 G HA2 -0.398 3.563 3.960 0.001 0.000 0.267 114 G HA3 -0.398 3.563 3.960 0.001 0.000 0.267 114 G C 0.042 174.936 174.900 -0.009 0.000 0.975 114 G CA 1.057 46.147 45.100 -0.017 0.000 0.644 114 G HN 0.689 nan 8.290 nan 0.000 0.537 115 Q N -0.905 118.894 119.800 -0.001 0.000 2.528 115 Q HA 0.763 5.104 4.340 0.001 0.000 0.289 115 Q C 0.145 176.200 176.000 0.092 0.000 1.091 115 Q CA -1.346 54.475 55.803 0.030 0.000 0.797 115 Q CB 1.985 30.704 28.738 -0.031 0.000 1.466 115 Q HN 0.465 nan 8.270 nan 0.000 0.436 116 I N 1.014 121.664 120.570 0.134 0.000 2.692 116 I HA 0.049 4.219 4.170 0.001 0.000 0.284 116 I C -0.325 175.922 176.117 0.217 0.000 1.159 116 I CA -0.500 60.871 61.300 0.118 0.000 1.423 116 I CB 0.551 38.591 38.000 0.066 0.000 1.380 116 I HN 0.787 nan 8.210 nan 0.000 0.580 117 C N 7.841 127.215 119.300 0.124 0.000 2.634 117 C HA -0.103 4.358 4.460 0.001 0.000 0.417 117 C C 1.655 176.780 174.990 0.225 0.000 1.334 117 C CA -0.230 58.918 59.018 0.217 0.000 1.829 117 C CB -0.025 27.816 27.740 0.168 0.000 2.665 117 C HN 1.054 nan 8.230 nan 0.000 0.614 118 W N 2.566 123.982 121.300 0.193 0.000 2.305 118 W HA -0.249 4.411 4.660 0.001 0.000 0.308 118 W C 1.957 178.462 176.519 -0.022 0.000 1.226 118 W CA 2.248 59.592 57.345 -0.002 0.000 1.253 118 W CB -0.364 29.152 29.460 0.093 0.000 1.146 118 W HN 1.006 nan 8.180 nan 0.000 0.507 119 Y N 0.430 120.708 120.300 -0.035 0.000 2.516 119 Y HA 0.033 4.584 4.550 0.001 0.000 0.291 119 Y C 2.126 177.923 175.900 -0.171 0.000 1.131 119 Y CA 1.062 59.059 58.100 -0.171 0.000 1.281 119 Y CB -1.180 37.272 38.460 -0.013 0.000 1.013 119 Y HN -0.071 nan 8.280 nan 0.000 0.554 120 Q N 1.341 120.670 119.800 -0.784 0.000 2.425 120 Q HA 0.076 4.417 4.340 0.001 0.000 0.204 120 Q C -0.051 175.734 176.000 -0.358 0.000 0.933 120 Q CA 0.327 55.746 55.803 -0.640 0.000 0.939 120 Q CB 0.175 28.547 28.738 -0.610 0.000 1.044 120 Q HN 0.532 nan 8.270 nan 0.000 0.513 121 K N 2.425 122.599 120.400 -0.376 0.000 2.416 121 K HA 0.118 4.438 4.320 0.001 0.000 0.283 121 K C -2.391 174.022 176.600 -0.312 0.000 1.037 121 K CA -1.488 54.594 56.287 -0.343 0.000 0.995 121 K CB 0.136 32.329 32.500 -0.512 0.000 0.938 121 K HN -0.088 nan 8.250 nan 0.000 0.475 122 P HA -0.136 nan 4.420 nan 0.000 0.261 122 P C 0.700 177.885 177.300 -0.192 0.000 1.173 122 P CA 0.994 63.996 63.100 -0.163 0.000 0.760 122 P CB 0.463 32.097 31.700 -0.110 0.000 0.783 123 G N 0.995 109.696 108.800 -0.165 0.000 2.241 123 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 123 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 123 G C 0.794 175.568 174.900 -0.210 0.000 0.998 123 G CA 0.301 45.307 45.100 -0.157 0.000 0.621 123 G HN 0.410 nan 8.290 nan 0.000 0.519 124 V N 0.732 120.449 119.914 -0.328 0.000 2.398 124 V HA 0.537 4.658 4.120 0.001 0.000 0.236 124 V C 2.652 178.604 176.094 -0.238 0.000 1.054 124 V CA 2.165 64.211 62.300 -0.423 0.000 1.060 124 V CB -1.024 30.255 31.823 -0.908 0.000 0.707 124 V HN 2.044 nan 8.190 nan 0.000 0.480 125 G N 0.465 109.147 108.800 -0.196 0.000 2.596 125 G HA2 -0.330 3.631 3.960 0.001 0.000 0.295 125 G HA3 -0.330 3.631 3.960 0.001 0.000 0.295 125 G C 0.616 175.529 174.900 0.022 0.000 1.240 125 G CA 0.643 45.718 45.100 -0.042 0.000 0.985 125 G HN 0.399 nan 8.290 nan 0.000 0.555 126 L N 1.148 122.388 121.223 0.029 0.000 2.554 126 L HA 0.095 4.436 4.340 0.001 0.000 0.226 126 L C 2.121 179.013 176.870 0.038 0.000 1.137 126 L CA 0.795 55.656 54.840 0.036 0.000 0.863 126 L CB -0.342 41.731 42.059 0.024 0.000 0.985 126 L HN 0.418 nan 8.230 nan 0.000 0.451 127 D N 0.991 121.405 120.400 0.024 0.000 2.315 127 D HA -0.183 4.457 4.640 0.001 0.000 0.211 127 D C 2.182 178.548 176.300 0.110 0.000 0.977 127 D CA 1.176 55.205 54.000 0.048 0.000 0.894 127 D CB 0.105 40.919 40.800 0.023 0.000 0.910 127 D HN 0.312 nan 8.370 nan 0.000 0.490 128 A N 0.204 123.095 122.820 0.118 0.000 2.076 128 A HA -0.149 4.172 4.320 0.001 0.000 0.220 128 A C 2.217 179.936 177.584 0.225 0.000 1.160 128 A CA 0.662 52.858 52.037 0.264 0.000 0.653 128 A CB -0.582 18.584 19.000 0.277 0.000 0.801 128 A HN 0.247 nan 8.150 nan 0.000 0.455 129 I N -0.419 120.232 120.570 0.135 0.000 2.202 129 I HA -0.248 3.922 4.170 0.001 0.000 0.242 129 I C 2.382 178.577 176.117 0.129 0.000 1.091 129 I CA 1.721 63.088 61.300 0.113 0.000 1.368 129 I CB -0.356 37.685 38.000 0.070 0.000 1.058 129 I HN 0.438 nan 8.210 nan 0.000 0.410 130 N N 0.756 119.525 118.700 0.114 0.000 2.244 130 N HA -0.195 4.546 4.740 0.001 0.000 0.183 130 N C 1.470 177.051 175.510 0.118 0.000 1.016 130 N CA 1.286 54.395 53.050 0.099 0.000 0.866 130 N CB -0.020 38.513 38.487 0.077 0.000 0.980 130 N HN 0.183 nan 8.380 nan 0.000 0.430 131 D N 0.112 120.616 120.400 0.173 0.000 2.123 131 D HA -0.136 4.504 4.640 0.001 0.000 0.196 131 D C 1.800 178.185 176.300 0.142 0.000 0.992 131 D CA 1.335 55.445 54.000 0.183 0.000 0.833 131 D CB -0.546 40.467 40.800 0.355 0.000 0.954 131 D HN 0.436 nan 8.370 nan 0.000 0.455 132 A N 1.395 124.333 122.820 0.197 0.000 1.877 132 A HA -0.209 4.111 4.320 0.001 0.000 0.216 132 A C 2.002 179.725 177.584 0.231 0.000 1.186 132 A CA 1.416 53.619 52.037 0.277 0.000 0.620 132 A CB -0.503 18.679 19.000 0.304 0.000 0.822 132 A HN 0.140 nan 8.150 nan 0.000 0.443 133 N N 0.024 118.801 118.700 0.129 0.000 2.223 133 N HA -0.092 4.648 4.740 0.001 0.000 0.185 133 N C 1.666 177.092 175.510 -0.140 0.000 1.016 133 N CA 1.219 54.227 53.050 -0.070 0.000 0.863 133 N CB -0.427 38.064 38.487 0.007 0.000 0.983 133 N HN 0.518 nan 8.380 nan 0.000 0.429 134 L N 0.760 121.956 121.223 -0.044 0.000 2.056 134 L HA -0.095 4.245 4.340 0.001 0.000 0.207 134 L C 2.238 179.065 176.870 -0.070 0.000 1.078 134 L CA 0.707 55.520 54.840 -0.044 0.000 0.749 134 L CB -0.400 41.657 42.059 -0.003 0.000 0.901 134 L HN 0.107 nan 8.230 nan 0.000 0.433 135 L N -0.397 120.793 121.223 -0.055 0.000 2.079 135 L HA -0.259 4.082 4.340 0.001 0.000 0.210 135 L C 2.612 179.398 176.870 -0.140 0.000 1.081 135 L CA 1.488 56.303 54.840 -0.041 0.000 0.752 135 L CB -0.565 41.524 42.059 0.049 0.000 0.896 135 L HN 0.377 nan 8.230 nan 0.000 0.433 136 E N 0.523 120.493 120.200 -0.384 0.000 2.072 136 E HA -0.223 4.127 4.350 0.001 0.000 0.191 136 E C 2.248 178.735 176.600 -0.188 0.000 0.985 136 E CA 1.079 57.159 56.400 -0.533 0.000 0.801 136 E CB 0.016 28.958 29.700 -1.263 0.000 0.750 136 E HN 0.443 nan 8.360 nan 0.000 0.452 137 A N 0.615 123.356 122.820 -0.131 0.000 1.933 137 A HA -0.194 4.127 4.320 0.001 0.000 0.218 137 A C 2.453 180.043 177.584 0.009 0.000 1.175 137 A CA 1.371 53.411 52.037 0.006 0.000 0.628 137 A CB -0.952 18.031 19.000 -0.028 0.000 0.814 137 A HN 0.524 nan 8.150 nan 0.000 0.444 138 C N -0.724 118.543 119.300 -0.054 0.000 2.425 138 C HA -0.098 4.362 4.460 0.001 0.000 0.277 138 C C 2.505 177.428 174.990 -0.111 0.000 1.280 138 C CA 0.821 59.805 59.018 -0.056 0.000 1.744 138 C CB -1.402 26.311 27.740 -0.044 0.000 1.989 138 C HN 0.652 nan 8.230 nan 0.000 0.491 139 I N -0.127 120.314 120.570 -0.215 0.000 2.091 139 I HA -0.340 3.830 4.170 0.001 0.000 0.240 139 I C 2.197 178.018 176.117 -0.492 0.000 1.046 139 I CA 2.205 63.228 61.300 -0.462 0.000 1.306 139 I CB -0.589 36.922 38.000 -0.816 0.000 1.018 139 I HN 0.354 nan 8.210 nan 0.000 0.404 140 Y N 0.116 120.341 120.300 -0.125 0.000 2.395 140 Y HA -0.023 4.528 4.550 0.001 0.000 0.293 140 Y C 2.607 178.496 175.900 -0.019 0.000 1.123 140 Y CA 0.565 58.616 58.100 -0.082 0.000 1.227 140 Y CB -0.414 38.005 38.460 -0.069 0.000 1.012 140 Y HN 0.011 nan 8.280 nan 0.000 0.552 141 R N 0.114 120.660 120.500 0.076 0.000 2.081 141 R HA -0.153 4.188 4.340 0.001 0.000 0.235 141 R C 2.035 178.370 176.300 0.059 0.000 1.131 141 R CA 1.477 57.613 56.100 0.059 0.000 0.960 141 R CB -0.743 29.573 30.300 0.027 0.000 0.856 141 R HN 0.394 nan 8.270 nan 0.000 0.436 142 L N 0.528 121.755 121.223 0.006 0.000 2.072 142 L HA -0.126 4.214 4.340 0.001 0.000 0.205 142 L C 2.485 179.391 176.870 0.060 0.000 1.079 142 L CA 0.875 55.727 54.840 0.020 0.000 0.752 142 L CB -0.405 41.586 42.059 -0.113 0.000 0.906 142 L HN 0.156 nan 8.230 nan 0.000 0.436 143 L N 0.060 121.286 121.223 0.005 0.000 2.079 143 L HA -0.266 4.075 4.340 0.001 0.000 0.210 143 L C 2.660 179.706 176.870 0.295 0.000 1.081 143 L CA 1.509 56.425 54.840 0.126 0.000 0.752 143 L CB -0.433 41.672 42.059 0.077 0.000 0.896 143 L HN 0.288 nan 8.230 nan 0.000 0.433 144 K N 0.444 120.996 120.400 0.254 0.000 2.076 144 K HA -0.094 4.227 4.320 0.001 0.000 0.204 144 K C 2.131 178.744 176.600 0.022 0.000 1.051 144 K CA 0.762 57.141 56.287 0.155 0.000 0.949 144 K CB 0.047 32.642 32.500 0.158 0.000 0.726 144 K HN 0.182 nan 8.250 nan 0.000 0.443 145 L N -0.159 121.116 121.223 0.087 0.000 2.131 145 L HA -0.175 4.165 4.340 0.001 0.000 0.210 145 L C 1.545 178.374 176.870 -0.067 0.000 1.092 145 L CA 1.308 56.160 54.840 0.019 0.000 0.759 145 L CB -0.182 41.943 42.059 0.110 0.000 0.903 145 L HN 0.288 nan 8.230 nan 0.000 0.435 146 Y N -2.933 117.310 120.300 -0.094 0.000 2.483 146 Y HA 0.100 4.650 4.550 0.001 0.000 0.258 146 Y C 1.809 177.649 175.900 -0.101 0.000 1.083 146 Y CA -0.200 57.831 58.100 -0.114 0.000 1.283 146 Y CB 0.306 38.681 38.460 -0.141 0.000 1.178 146 Y HN 0.059 nan 8.280 nan 0.000 0.515 147 C N -0.495 118.848 119.300 0.071 0.000 3.386 147 C HA 0.243 4.704 4.460 0.001 0.000 0.279 147 C C 2.395 177.219 174.990 -0.276 0.000 1.508 147 C CA -0.623 58.406 59.018 0.017 0.000 1.801 147 C CB -0.426 27.473 27.740 0.266 0.000 2.798 147 C HN 0.410 nan 8.230 nan 0.000 0.605 148 R N 2.292 122.488 120.500 -0.507 0.000 2.103 148 R HA -0.188 4.153 4.340 0.001 0.000 0.242 148 R C 1.180 177.082 176.300 -0.663 0.000 1.142 148 R CA 1.896 57.397 56.100 -0.998 0.000 0.960 148 R CB 0.013 29.981 30.300 -0.554 0.000 0.858 148 R HN 0.609 nan 8.270 nan 0.000 0.439 149 E N -0.054 119.925 120.200 -0.369 0.000 2.474 149 E HA 0.029 4.379 4.350 0.001 0.000 0.195 149 E C -0.096 176.367 176.600 -0.228 0.000 1.039 149 E CA -0.211 56.040 56.400 -0.249 0.000 0.881 149 E CB 0.436 30.028 29.700 -0.179 0.000 0.970 149 E HN 0.243 nan 8.360 nan 0.000 0.486 150 Q N 0.889 120.502 119.800 -0.312 0.000 2.354 150 Q HA 0.062 4.403 4.340 0.001 0.000 0.244 150 Q C -1.484 174.293 176.000 -0.372 0.000 0.969 150 Q CA -1.662 53.864 55.803 -0.462 0.000 0.885 150 Q CB 0.137 28.260 28.738 -1.026 0.000 1.241 150 Q HN 0.023 nan 8.270 nan 0.000 0.461 151 P HA -0.127 nan 4.420 nan 0.000 0.223 151 P C 0.592 177.883 177.300 -0.016 0.000 1.151 151 P CA 1.375 64.420 63.100 -0.093 0.000 0.787 151 P CB -0.010 31.694 31.700 0.007 0.000 0.788 152 Y N -4.011 116.355 120.300 0.110 0.000 2.457 152 Y HA 0.209 4.759 4.550 0.001 0.000 0.263 152 Y C 2.263 178.219 175.900 0.093 0.000 1.164 152 Y CA -1.436 56.713 58.100 0.082 0.000 1.274 152 Y CB -1.697 36.840 38.460 0.129 0.000 1.097 152 Y HN -0.216 nan 8.280 nan 0.000 0.523 153 Y N 1.810 122.086 120.300 -0.040 0.000 2.040 153 Y HA -0.334 4.216 4.550 0.001 0.000 0.275 153 Y C 2.204 178.147 175.900 0.072 0.000 1.171 153 Y CA 2.122 60.239 58.100 0.029 0.000 1.123 153 Y CB -0.737 37.689 38.460 -0.057 0.000 0.963 153 Y HN 0.317 nan 8.280 nan 0.000 0.493 154 L N 1.037 122.215 121.223 -0.075 0.000 2.141 154 L HA -0.183 4.157 4.340 0.001 0.000 0.209 154 L C 1.901 178.685 176.870 -0.143 0.000 1.094 154 L CA 1.863 56.586 54.840 -0.194 0.000 0.763 154 L CB -1.070 40.946 42.059 -0.071 0.000 0.908 154 L HN 0.226 nan 8.230 nan 0.000 0.437 155 N N -0.370 118.250 118.700 -0.134 0.000 2.120 155 N HA -0.154 4.587 4.740 0.001 0.000 0.188 155 N C 1.879 177.268 175.510 -0.202 0.000 1.024 155 N CA 1.619 54.475 53.050 -0.325 0.000 0.852 155 N CB -0.297 37.780 38.487 -0.682 0.000 1.003 155 N HN 0.389 nan 8.380 nan 0.000 0.424 156 L N 0.542 121.768 121.223 0.006 0.000 2.056 156 L HA -0.041 4.299 4.340 0.001 0.000 0.207 156 L C 2.150 179.186 176.870 0.277 0.000 1.078 156 L CA 0.685 55.655 54.840 0.218 0.000 0.749 156 L CB -0.314 41.929 42.059 0.307 0.000 0.901 156 L HN 0.124 nan 8.230 nan 0.000 0.433 157 I N -0.068 120.550 120.570 0.079 0.000 2.127 157 I HA -0.303 3.867 4.170 0.001 0.000 0.241 157 I C 2.404 178.646 176.117 0.208 0.000 1.075 157 I CA 1.583 62.961 61.300 0.131 0.000 1.334 157 I CB -0.376 37.548 38.000 -0.126 0.000 1.040 157 I HN 0.332 nan 8.210 nan 0.000 0.405 158 E N 0.502 120.751 120.200 0.082 0.000 2.150 158 E HA -0.236 4.115 4.350 0.001 0.000 0.193 158 E C 2.102 178.797 176.600 0.158 0.000 0.985 158 E CA 0.913 57.364 56.400 0.084 0.000 0.814 158 E CB -0.119 29.587 29.700 0.011 0.000 0.752 158 E HN 0.297 nan 8.360 nan 0.000 0.466 159 L N 0.199 121.531 121.223 0.182 0.000 2.017 159 L HA -0.144 4.196 4.340 0.001 0.000 0.208 159 L C 1.933 178.909 176.870 0.177 0.000 1.073 159 L CA 1.679 56.641 54.840 0.202 0.000 0.745 159 L CB -0.456 41.731 42.059 0.214 0.000 0.894 159 L HN -0.005 nan 8.230 nan 0.000 0.432 160 F N -0.806 119.270 119.950 0.209 0.000 2.146 160 F HA -0.172 4.355 4.527 0.001 0.000 0.298 160 F C 2.230 178.218 175.800 0.314 0.000 1.096 160 F CA 1.474 59.621 58.000 0.244 0.000 1.275 160 F CB -0.402 38.695 39.000 0.163 0.000 1.008 160 F HN 0.023 nan 8.300 nan 0.000 0.480 161 L N -0.651 120.855 121.223 0.472 0.000 2.027 161 L HA -0.234 4.106 4.340 0.001 0.000 0.206 161 L C 2.513 179.548 176.870 0.275 0.000 1.074 161 L CA 1.415 56.455 54.840 0.334 0.000 0.745 161 L CB -0.715 41.445 42.059 0.168 0.000 0.898 161 L HN 0.116 nan 8.230 nan 0.000 0.433 162 Q N 0.062 119.993 119.800 0.219 0.000 2.050 162 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 162 Q C 2.259 178.369 176.000 0.183 0.000 0.980 162 Q CA 2.273 58.188 55.803 0.185 0.000 0.840 162 Q CB -0.153 28.664 28.738 0.132 0.000 0.898 162 Q HN 0.326 nan 8.270 nan 0.000 0.424 163 S N -0.176 115.638 115.700 0.189 0.000 2.387 163 S HA -0.178 4.293 4.470 0.001 0.000 0.230 163 S C 2.045 176.780 174.600 0.226 0.000 1.035 163 S CA 1.281 59.594 58.200 0.188 0.000 1.014 163 S CB -0.414 62.899 63.200 0.188 0.000 0.836 163 S HN 0.429 nan 8.310 nan 0.000 0.466 164 S N 0.337 116.252 115.700 0.358 0.000 2.368 164 S HA -0.093 4.377 4.470 0.001 0.000 0.224 164 S C 1.650 176.479 174.600 0.382 0.000 1.029 164 S CA 1.147 59.652 58.200 0.509 0.000 0.988 164 S CB -0.466 63.099 63.200 0.608 0.000 0.838 164 S HN 0.657 nan 8.310 nan 0.000 0.462 165 Y N 2.306 122.718 120.300 0.188 0.000 2.181 165 Y HA -0.144 4.406 4.550 0.001 0.000 0.288 165 Y C 2.280 178.230 175.900 0.084 0.000 1.146 165 Y CA 1.510 59.683 58.100 0.122 0.000 1.164 165 Y CB -0.619 37.888 38.460 0.078 0.000 0.982 165 Y HN 0.246 nan 8.280 nan 0.000 0.515 166 Q N -0.880 118.889 119.800 -0.051 0.000 2.084 166 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 166 Q C 2.112 178.114 176.000 0.004 0.000 0.978 166 Q CA 2.253 57.992 55.803 -0.107 0.000 0.844 166 Q CB -0.200 28.356 28.738 -0.303 0.000 0.898 166 Q HN 0.414 nan 8.270 nan 0.000 0.426 167 T N 0.694 115.215 114.554 -0.055 0.000 2.821 167 T HA -0.120 4.231 4.350 0.001 0.000 0.267 167 T C 1.343 175.934 174.700 -0.181 0.000 1.046 167 T CA 1.226 63.197 62.100 -0.216 0.000 1.139 167 T CB -0.085 68.288 68.868 -0.824 0.000 0.871 167 T HN 0.312 nan 8.240 nan 0.000 0.454 168 E N 0.479 120.638 120.200 -0.068 0.000 2.152 168 E HA -0.027 4.323 4.350 0.001 0.000 0.192 168 E C 2.054 178.605 176.600 -0.081 0.000 0.983 168 E CA 0.528 56.932 56.400 0.008 0.000 0.818 168 E CB -0.061 29.726 29.700 0.145 0.000 0.758 168 E HN 0.302 nan 8.360 nan 0.000 0.467 169 I N 0.903 121.346 120.570 -0.213 0.000 2.179 169 I HA -0.161 4.009 4.170 0.001 0.000 0.242 169 I C 2.487 178.510 176.117 -0.158 0.000 1.088 169 I CA 1.519 62.653 61.300 -0.277 0.000 1.357 169 I CB -1.649 36.044 38.000 -0.513 0.000 1.051 169 I HN 0.152 nan 8.210 nan 0.000 0.409 170 G N 0.470 109.245 108.800 -0.041 0.000 2.476 170 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 170 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 170 G C 1.501 176.397 174.900 -0.007 0.000 1.164 170 G CA 0.402 45.528 45.100 0.042 0.000 0.768 170 G HN 0.359 nan 8.290 nan 0.000 0.560 171 Q N 0.086 119.869 119.800 -0.029 0.000 2.124 171 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 171 Q C 2.806 178.801 176.000 -0.008 0.000 0.977 171 Q CA 1.624 57.417 55.803 -0.017 0.000 0.850 171 Q CB -0.860 27.869 28.738 -0.014 0.000 0.901 171 Q HN 0.453 nan 8.270 nan 0.000 0.429 172 T N 1.803 116.343 114.554 -0.022 0.000 2.746 172 T HA -0.071 4.279 4.350 0.001 0.000 0.267 172 T C 2.065 176.756 174.700 -0.014 0.000 1.039 172 T CA 0.770 62.859 62.100 -0.018 0.000 1.142 172 T CB -0.178 68.668 68.868 -0.037 0.000 0.866 172 T HN 0.170 nan 8.240 nan 0.000 0.444 173 L N 1.000 122.205 121.223 -0.030 0.000 2.056 173 L HA -0.102 4.238 4.340 0.001 0.000 0.207 173 L C 2.712 179.596 176.870 0.022 0.000 1.078 173 L CA 1.371 56.205 54.840 -0.011 0.000 0.749 173 L CB -0.549 41.492 42.059 -0.029 0.000 0.901 173 L HN 0.352 nan 8.230 nan 0.000 0.433 174 D N 0.529 120.939 120.400 0.017 0.000 2.123 174 D HA -0.195 4.445 4.640 0.001 0.000 0.196 174 D C 2.210 178.540 176.300 0.050 0.000 0.992 174 D CA 1.406 55.425 54.000 0.031 0.000 0.833 174 D CB 0.191 41.002 40.800 0.018 0.000 0.954 174 D HN 0.304 nan 8.370 nan 0.000 0.455 175 L N 0.269 121.515 121.223 0.038 0.000 2.095 175 L HA -0.072 4.269 4.340 0.001 0.000 0.204 175 L C 2.814 179.719 176.870 0.057 0.000 1.080 175 L CA 0.321 55.188 54.840 0.044 0.000 0.759 175 L CB -0.396 41.679 42.059 0.027 0.000 0.914 175 L HN 0.032 nan 8.230 nan 0.000 0.439 176 L N -0.473 120.778 121.223 0.048 0.000 2.079 176 L HA -0.208 4.132 4.340 0.001 0.000 0.210 176 L C 2.456 179.375 176.870 0.081 0.000 1.081 176 L CA 1.483 56.353 54.840 0.051 0.000 0.752 176 L CB -0.862 41.218 42.059 0.034 0.000 0.896 176 L HN 0.293 nan 8.230 nan 0.000 0.433 177 T N -0.841 113.782 114.554 0.115 0.000 3.043 177 T HA 0.109 4.460 4.350 0.001 0.000 0.263 177 T C 0.994 175.872 174.700 0.296 0.000 1.094 177 T CA 0.855 63.072 62.100 0.195 0.000 1.127 177 T CB 0.023 69.024 68.868 0.222 0.000 0.905 177 T HN 0.322 nan 8.240 nan 0.000 0.490 178 A N 2.634 125.586 122.820 0.221 0.000 3.158 178 A HA 0.550 4.871 4.320 0.001 0.000 0.319 178 A C -2.747 174.924 177.584 0.144 0.000 1.204 178 A CA -1.569 50.612 52.037 0.239 0.000 0.992 178 A CB 0.051 19.163 19.000 0.186 0.000 1.110 178 A HN 0.138 nan 8.150 nan 0.000 0.519 179 P HA 0.047 nan 4.420 nan 0.000 0.267 179 P C -0.145 177.195 177.300 0.067 0.000 1.209 179 P CA 0.122 63.265 63.100 0.071 0.000 0.763 179 P CB 0.425 32.155 31.700 0.050 0.000 0.816 180 Q N 2.649 122.477 119.800 0.048 0.000 2.337 180 Q HA 0.252 4.593 4.340 0.001 0.000 0.270 180 Q C 1.144 177.160 176.000 0.028 0.000 1.002 180 Q CA 0.813 56.638 55.803 0.036 0.000 0.888 180 Q CB -0.274 28.478 28.738 0.022 0.000 1.222 180 Q HN 0.829 nan 8.270 nan 0.000 0.400 181 G N 3.732 112.547 108.800 0.025 0.000 2.189 181 G HA2 -0.254 3.707 3.960 0.001 0.000 0.267 181 G HA3 -0.254 3.707 3.960 0.001 0.000 0.267 181 G C -0.170 174.743 174.900 0.021 0.000 0.975 181 G CA 0.268 45.379 45.100 0.019 0.000 0.644 181 G HN 0.681 nan 8.290 nan 0.000 0.537 182 N N 0.647 119.365 118.700 0.031 0.000 2.800 182 N HA 0.419 5.160 4.740 0.001 0.000 0.240 182 N C 0.373 175.895 175.510 0.020 0.000 1.096 182 N CA 0.217 53.280 53.050 0.020 0.000 0.877 182 N CB 1.483 39.980 38.487 0.016 0.000 1.138 182 N HN 0.605 nan 8.380 nan 0.000 0.509 183 V N -0.391 119.532 119.914 0.015 0.000 2.529 183 V HA 0.382 4.502 4.120 0.001 0.000 0.292 183 V C 0.119 176.161 176.094 -0.087 0.000 1.028 183 V CA -0.121 62.173 62.300 -0.011 0.000 1.074 183 V CB 0.853 32.678 31.823 0.004 0.000 0.958 183 V HN 0.300 nan 8.190 nan 0.000 0.481 184 D N 3.486 123.758 120.400 -0.214 0.000 2.478 184 D HA 0.372 5.013 4.640 0.001 0.000 0.240 184 D C 0.516 176.506 176.300 -0.517 0.000 1.364 184 D CA -0.477 53.373 54.000 -0.250 0.000 0.987 184 D CB 1.718 42.416 40.800 -0.169 0.000 1.328 184 D HN 0.500 nan 8.370 nan 0.000 0.584 185 L N 2.225 123.209 121.223 -0.399 0.000 2.456 185 L HA -0.001 4.339 4.340 0.001 0.000 0.224 185 L C 2.233 178.950 176.870 -0.255 0.000 1.148 185 L CA 0.262 54.833 54.840 -0.449 0.000 0.825 185 L CB -0.062 41.843 42.059 -0.256 0.000 0.937 185 L HN 0.315 nan 8.230 nan 0.000 0.450 186 V N 1.400 121.215 119.914 -0.165 0.000 2.809 186 V HA -0.186 3.934 4.120 0.001 0.000 0.256 186 V C 2.583 178.640 176.094 -0.060 0.000 1.080 186 V CA 1.501 63.770 62.300 -0.053 0.000 1.102 186 V CB -0.395 31.410 31.823 -0.030 0.000 0.705 186 V HN 0.629 nan 8.190 nan 0.000 0.475 187 R N -1.642 118.764 120.500 -0.156 0.000 2.276 187 R HA 0.088 4.428 4.340 0.001 0.000 0.196 187 R C 0.354 176.741 176.300 0.145 0.000 0.961 187 R CA 0.072 56.148 56.100 -0.039 0.000 1.024 187 R CB -0.322 29.939 30.300 -0.065 0.000 0.940 187 R HN 0.391 nan 8.270 nan 0.000 0.480 188 F N 3.792 123.757 119.950 0.026 0.000 2.652 188 F HA 0.175 4.702 4.527 0.001 0.000 0.352 188 F C 0.722 176.533 175.800 0.018 0.000 1.259 188 F CA -0.847 57.167 58.000 0.023 0.000 1.249 188 F CB -0.425 38.555 39.000 -0.034 0.000 1.628 188 F HN 0.035 nan 8.300 nan 0.000 0.654 189 T N -2.735 111.955 114.554 0.227 0.000 2.938 189 T HA 0.342 4.693 4.350 0.001 0.000 0.285 189 T C 1.137 175.924 174.700 0.146 0.000 1.028 189 T CA -0.605 61.578 62.100 0.139 0.000 1.005 189 T CB 2.105 71.037 68.868 0.107 0.000 1.157 189 T HN 0.312 nan 8.240 nan 0.000 0.550 190 E N 0.576 120.838 120.200 0.103 0.000 2.047 190 E HA -0.084 4.267 4.350 0.001 0.000 0.191 190 E C 1.948 178.655 176.600 0.179 0.000 0.987 190 E CA 1.339 57.816 56.400 0.129 0.000 0.799 190 E CB -0.176 29.570 29.700 0.077 0.000 0.752 190 E HN 0.657 nan 8.360 nan 0.000 0.449 191 K N -0.037 120.442 120.400 0.131 0.000 2.032 191 K HA -0.198 4.123 4.320 0.001 0.000 0.209 191 K C 2.371 179.051 176.600 0.133 0.000 1.048 191 K CA 1.446 57.806 56.287 0.121 0.000 0.927 191 K CB -0.214 32.340 32.500 0.090 0.000 0.712 191 K HN -0.026 nan 8.250 nan 0.000 0.441 192 R N 0.850 121.434 120.500 0.140 0.000 2.083 192 R HA -0.196 4.145 4.340 0.001 0.000 0.237 192 R C 2.093 178.479 176.300 0.142 0.000 1.137 192 R CA 1.563 57.744 56.100 0.135 0.000 0.951 192 R CB -1.088 29.306 30.300 0.157 0.000 0.851 192 R HN 0.274 nan 8.270 nan 0.000 0.434 193 Y N 1.143 121.495 120.300 0.086 0.000 2.128 193 Y HA -0.233 4.317 4.550 0.001 0.000 0.284 193 Y C 1.767 177.725 175.900 0.096 0.000 1.154 193 Y CA 2.320 60.468 58.100 0.081 0.000 1.149 193 Y CB -0.108 38.397 38.460 0.074 0.000 0.976 193 Y HN 0.080 nan 8.280 nan 0.000 0.505 194 K N -0.624 119.851 120.400 0.125 0.000 2.147 194 K HA -0.136 4.184 4.320 0.001 0.000 0.205 194 K C 2.284 178.894 176.600 0.016 0.000 1.049 194 K CA 1.401 57.727 56.287 0.065 0.000 0.936 194 K CB -0.210 32.378 32.500 0.146 0.000 0.722 194 K HN 0.211 nan 8.250 nan 0.000 0.446 195 S N 1.234 116.971 115.700 0.061 0.000 2.368 195 S HA -0.088 4.383 4.470 0.001 0.000 0.225 195 S C 1.936 176.617 174.600 0.135 0.000 1.030 195 S CA 1.026 59.303 58.200 0.129 0.000 0.999 195 S CB -0.176 63.086 63.200 0.104 0.000 0.844 195 S HN 0.205 nan 8.310 nan 0.000 0.459 196 I N 1.546 122.116 120.570 -0.000 0.000 2.142 196 I HA -0.152 4.018 4.170 0.001 0.000 0.240 196 I C 2.471 178.571 176.117 -0.028 0.000 1.078 196 I CA 1.299 62.587 61.300 -0.021 0.000 1.343 196 I CB -0.594 37.346 38.000 -0.101 0.000 1.046 196 I HN 0.270 nan 8.210 nan 0.000 0.405 197 V N -0.952 118.852 119.914 -0.183 0.000 2.591 197 V HA -0.183 3.937 4.120 0.001 0.000 0.249 197 V C 2.439 178.508 176.094 -0.042 0.000 1.053 197 V CA 1.539 63.753 62.300 -0.144 0.000 1.068 197 V CB -0.824 30.822 31.823 -0.295 0.000 0.689 197 V HN 0.367 nan 8.190 nan 0.000 0.462 198 K N -0.433 119.940 120.400 -0.044 0.000 2.044 198 K HA -0.220 4.100 4.320 0.001 0.000 0.210 198 K C 2.079 178.624 176.600 -0.091 0.000 1.049 198 K CA 2.555 58.765 56.287 -0.129 0.000 0.927 198 K CB -0.476 31.946 32.500 -0.130 0.000 0.713 198 K HN 0.591 nan 8.250 nan 0.000 0.443 199 Y N 0.614 120.997 120.300 0.137 0.000 2.269 199 Y HA -0.061 4.490 4.550 0.001 0.000 0.294 199 Y C 2.201 178.194 175.900 0.156 0.000 1.120 199 Y CA 1.602 59.850 58.100 0.248 0.000 1.159 199 Y CB 0.042 38.558 38.460 0.093 0.000 1.024 199 Y HN 0.157 nan 8.280 nan 0.000 0.532 200 K N -1.526 118.996 120.400 0.203 0.000 2.296 200 K HA 0.029 4.349 4.320 0.001 0.000 0.200 200 K C 0.929 177.644 176.600 0.191 0.000 1.048 200 K CA 1.779 58.130 56.287 0.108 0.000 0.966 200 K CB -0.040 32.492 32.500 0.052 0.000 0.754 200 K HN 0.088 nan 8.250 nan 0.000 0.466 201 T N -0.469 114.210 114.554 0.208 0.000 3.176 201 T HA 0.254 4.604 4.350 0.001 0.000 0.259 201 T C 1.785 176.541 174.700 0.094 0.000 0.978 201 T CA 0.254 62.487 62.100 0.222 0.000 1.050 201 T CB 0.230 69.215 68.868 0.195 0.000 1.136 201 T HN 0.273 nan 8.240 nan 0.000 0.465 202 A N 0.898 123.752 122.820 0.057 0.000 1.930 202 A HA 0.132 4.453 4.320 0.001 0.000 0.217 202 A C 1.816 179.379 177.584 -0.035 0.000 1.175 202 A CA 1.257 53.285 52.037 -0.015 0.000 0.627 202 A CB -0.899 17.975 19.000 -0.210 0.000 0.815 202 A HN 0.378 nan 8.150 nan 0.000 0.443 203 F N -0.684 119.291 119.950 0.042 0.000 2.075 203 F HA -0.180 4.347 4.527 0.001 0.000 0.297 203 F C 2.389 178.274 175.800 0.141 0.000 1.113 203 F CA 2.050 60.105 58.000 0.091 0.000 1.218 203 F CB -0.971 38.050 39.000 0.035 0.000 0.984 203 F HN 0.552 nan 8.300 nan 0.000 0.472 204 Y N -2.076 118.332 120.300 0.181 0.000 2.519 204 Y HA 0.181 4.732 4.550 0.001 0.000 0.287 204 Y C 1.954 177.824 175.900 -0.051 0.000 1.128 204 Y CA 0.732 58.869 58.100 0.061 0.000 1.282 204 Y CB -1.018 37.454 38.460 0.020 0.000 1.027 204 Y HN -0.100 nan 8.280 nan 0.000 0.551 205 S N -0.509 114.698 115.700 -0.822 0.000 2.439 205 S HA 0.156 4.626 4.470 0.001 0.000 0.224 205 S C 0.929 174.922 174.600 -1.012 0.000 1.029 205 S CA 0.910 58.466 58.200 -1.074 0.000 0.946 205 S CB -0.185 62.326 63.200 -1.148 0.000 0.797 205 S HN 0.503 nan 8.310 nan 0.000 0.504 206 F N -1.803 117.973 119.950 -0.291 0.000 2.531 206 F HA 0.322 4.849 4.527 0.001 0.000 0.273 206 F C 1.735 177.489 175.800 -0.077 0.000 0.960 206 F CA -0.432 57.457 58.000 -0.185 0.000 1.207 206 F CB -0.524 38.378 39.000 -0.164 0.000 1.012 206 F HN 0.067 nan 8.300 nan 0.000 0.738 207 Y N 1.376 121.713 120.300 0.060 0.000 2.163 207 Y HA -0.185 4.366 4.550 0.001 0.000 0.288 207 Y C 2.258 178.174 175.900 0.028 0.000 1.136 207 Y CA 1.575 59.707 58.100 0.053 0.000 1.147 207 Y CB -0.554 37.961 38.460 0.092 0.000 0.987 207 Y HN 0.078 nan 8.280 nan 0.000 0.509 208 L N 1.106 122.283 121.223 -0.076 0.000 2.017 208 L HA -0.042 4.298 4.340 0.001 0.000 0.208 208 L C -0.897 175.798 176.870 -0.292 0.000 1.073 208 L CA 1.993 56.713 54.840 -0.200 0.000 0.745 208 L CB -1.837 40.174 42.059 -0.080 0.000 0.894 208 L HN 0.058 nan 8.230 nan 0.000 0.432 209 P HA -0.149 nan 4.420 nan 0.000 0.215 209 P C 2.064 179.241 177.300 -0.205 0.000 1.157 209 P CA 1.429 64.412 63.100 -0.194 0.000 0.863 209 P CB -0.102 31.477 31.700 -0.202 0.000 0.787 210 I N -0.333 120.091 120.570 -0.244 0.000 2.252 210 I HA -0.162 4.008 4.170 0.001 0.000 0.245 210 I C 2.244 178.161 176.117 -0.334 0.000 1.102 210 I CA 1.501 62.643 61.300 -0.263 0.000 1.385 210 I CB -1.855 35.999 38.000 -0.242 0.000 1.064 210 I HN -0.101 nan 8.210 nan 0.000 0.414 211 A N 0.828 123.346 122.820 -0.503 0.000 1.978 211 A HA -0.150 4.171 4.320 0.001 0.000 0.220 211 A C 2.553 180.001 177.584 -0.226 0.000 1.170 211 A CA 1.997 53.720 52.037 -0.523 0.000 0.636 211 A CB -0.678 17.805 19.000 -0.861 0.000 0.810 211 A HN 0.425 nan 8.150 nan 0.000 0.448 212 A N -0.194 122.547 122.820 -0.131 0.000 1.873 212 A HA 0.210 4.531 4.320 0.001 0.000 0.215 212 A C 2.523 180.104 177.584 -0.004 0.000 1.186 212 A CA 1.948 54.007 52.037 0.037 0.000 0.616 212 A CB -1.047 17.973 19.000 0.033 0.000 0.823 212 A HN 1.041 nan 8.150 nan 0.000 0.442 213 A N -0.280 122.504 122.820 -0.059 0.000 1.883 213 A HA -0.178 4.142 4.320 0.001 0.000 0.217 213 A C 2.277 179.846 177.584 -0.026 0.000 1.186 213 A CA 1.955 53.987 52.037 -0.009 0.000 0.624 213 A CB -0.636 18.347 19.000 -0.029 0.000 0.822 213 A HN 0.538 nan 8.150 nan 0.000 0.444 214 M N -2.004 117.513 119.600 -0.137 0.000 2.073 214 M HA -0.225 4.256 4.480 0.001 0.000 0.258 214 M C 2.221 178.503 176.300 -0.030 0.000 1.070 214 M CA 1.918 57.114 55.300 -0.175 0.000 1.103 214 M CB -0.667 31.673 32.600 -0.433 0.000 1.321 214 M HN 0.531 nan 8.290 nan 0.000 0.405 215 Y N 0.064 120.396 120.300 0.054 0.000 2.224 215 Y HA -0.125 4.425 4.550 0.001 0.000 0.289 215 Y C 2.344 178.193 175.900 -0.085 0.000 1.146 215 Y CA 1.303 59.444 58.100 0.067 0.000 1.182 215 Y CB -0.706 37.802 38.460 0.081 0.000 0.983 215 Y HN 0.232 nan 8.280 nan 0.000 0.524 216 M N -1.102 118.397 119.600 -0.168 0.000 2.296 216 M HA -0.114 4.366 4.480 0.001 0.000 0.265 216 M C 2.087 178.425 176.300 0.064 0.000 1.064 216 M CA 1.481 56.492 55.300 -0.482 0.000 1.109 216 M CB -0.267 32.085 32.600 -0.415 0.000 1.396 216 M HN 0.213 nan 8.290 nan 0.000 0.430 217 A N -0.190 122.683 122.820 0.088 0.000 2.238 217 A HA 0.381 4.702 4.320 0.001 0.000 0.208 217 A C 1.707 179.349 177.584 0.096 0.000 1.177 217 A CA 0.762 52.836 52.037 0.062 0.000 0.804 217 A CB -0.833 18.153 19.000 -0.023 0.000 0.823 217 A HN 0.652 nan 8.150 nan 0.000 0.482 218 G N -0.729 108.173 108.800 0.170 0.000 2.179 218 G HA2 -0.233 3.728 3.960 0.001 0.000 0.260 218 G HA3 -0.233 3.728 3.960 0.001 0.000 0.260 218 G C 0.165 175.173 174.900 0.179 0.000 0.977 218 G CA 0.239 45.457 45.100 0.196 0.000 0.641 218 G HN 0.553 nan 8.290 nan 0.000 0.533 219 I N 2.449 123.106 120.570 0.145 0.000 2.260 219 I HA 0.248 4.419 4.170 0.001 0.000 0.297 219 I C 0.570 176.845 176.117 0.263 0.000 1.143 219 I CA 0.068 61.443 61.300 0.126 0.000 1.271 219 I CB 0.556 38.557 38.000 0.001 0.000 1.461 219 I HN 0.216 nan 8.210 nan 0.000 0.530 220 D N 3.564 124.157 120.400 0.323 0.000 2.479 220 D HA 0.077 4.717 4.640 0.001 0.000 0.218 220 D C 0.803 177.283 176.300 0.300 0.000 1.177 220 D CA -0.226 54.033 54.000 0.432 0.000 0.830 220 D CB 0.315 41.366 40.800 0.418 0.000 1.014 220 D HN 0.390 nan 8.370 nan 0.000 0.503 221 G N 1.119 110.086 108.800 0.279 0.000 2.343 221 G HA2 0.025 3.986 3.960 0.001 0.000 0.254 221 G HA3 0.025 3.986 3.960 0.001 0.000 0.254 221 G C 0.703 175.752 174.900 0.248 0.000 1.277 221 G CA -0.349 44.878 45.100 0.213 0.000 0.909 221 G HN 0.137 nan 8.290 nan 0.000 0.502 222 E N 1.691 121.988 120.200 0.162 0.000 2.130 222 E HA -0.259 4.091 4.350 0.001 0.000 0.196 222 E C 2.087 178.782 176.600 0.157 0.000 0.998 222 E CA 1.566 58.051 56.400 0.142 0.000 0.806 222 E CB 0.137 29.894 29.700 0.095 0.000 0.738 222 E HN 0.466 nan 8.360 nan 0.000 0.459 223 K N 0.723 121.202 120.400 0.132 0.000 2.167 223 K HA -0.105 4.216 4.320 0.001 0.000 0.203 223 K C 1.685 178.352 176.600 0.112 0.000 1.052 223 K CA 1.325 57.675 56.287 0.106 0.000 0.956 223 K CB 0.113 32.664 32.500 0.086 0.000 0.735 223 K HN 0.016 nan 8.250 nan 0.000 0.451 224 E N -0.498 119.780 120.200 0.129 0.000 2.107 224 E HA -0.075 4.275 4.350 0.001 0.000 0.191 224 E C 1.816 178.451 176.600 0.058 0.000 0.982 224 E CA 1.153 57.603 56.400 0.083 0.000 0.809 224 E CB -0.152 29.580 29.700 0.053 0.000 0.756 224 E HN 0.426 nan 8.360 nan 0.000 0.459 225 H N -0.646 118.470 119.070 0.077 0.000 2.395 225 H HA 0.101 4.658 4.556 0.001 0.000 0.299 225 H C 1.906 177.308 175.328 0.124 0.000 1.070 225 H CA 1.118 57.248 56.048 0.138 0.000 1.356 225 H CB 0.144 30.003 29.762 0.161 0.000 1.401 225 H HN 0.202 nan 8.280 nan 0.000 0.524 226 A N 1.515 124.431 122.820 0.160 0.000 1.933 226 A HA -0.187 4.133 4.320 0.001 0.000 0.218 226 A C 2.187 179.742 177.584 -0.048 0.000 1.175 226 A CA 1.495 53.553 52.037 0.035 0.000 0.628 226 A CB -0.219 18.797 19.000 0.027 0.000 0.814 226 A HN 0.351 nan 8.150 nan 0.000 0.444 227 N N 0.554 119.246 118.700 -0.014 0.000 2.080 227 N HA -0.070 4.671 4.740 0.001 0.000 0.189 227 N C 1.938 177.386 175.510 -0.104 0.000 1.036 227 N CA 1.678 54.681 53.050 -0.079 0.000 0.846 227 N CB -0.743 37.788 38.487 0.075 0.000 1.015 227 N HN 0.422 nan 8.380 nan 0.000 0.423 228 A N 1.078 123.926 122.820 0.047 0.000 1.917 228 A HA -0.225 4.096 4.320 0.001 0.000 0.219 228 A C 2.188 179.848 177.584 0.127 0.000 1.182 228 A CA 2.002 54.148 52.037 0.181 0.000 0.633 228 A CB -0.566 18.566 19.000 0.220 0.000 0.819 228 A HN 0.332 nan 8.150 nan 0.000 0.448 229 K N -0.085 120.376 120.400 0.102 0.000 2.097 229 K HA -0.119 4.201 4.320 0.001 0.000 0.206 229 K C 1.990 178.497 176.600 -0.155 0.000 1.049 229 K CA 1.528 57.823 56.287 0.014 0.000 0.933 229 K CB -0.075 32.333 32.500 -0.154 0.000 0.717 229 K HN 0.395 nan 8.250 nan 0.000 0.442 230 K N 0.340 120.577 120.400 -0.271 0.000 2.057 230 K HA -0.130 4.191 4.320 0.001 0.000 0.207 230 K C 2.122 178.525 176.600 -0.329 0.000 1.049 230 K CA 1.618 57.668 56.287 -0.396 0.000 0.931 230 K CB -0.231 31.786 32.500 -0.805 0.000 0.714 230 K HN 0.258 nan 8.250 nan 0.000 0.440 231 I N 1.082 121.456 120.570 -0.327 0.000 2.163 231 I HA -0.269 3.901 4.170 0.001 0.000 0.240 231 I C 2.341 178.356 176.117 -0.170 0.000 1.081 231 I CA 1.127 62.246 61.300 -0.302 0.000 1.353 231 I CB -0.281 37.396 38.000 -0.539 0.000 1.054 231 I HN 0.042 nan 8.210 nan 0.000 0.407 232 L N 0.163 121.355 121.223 -0.053 0.000 2.093 232 L HA -0.169 4.171 4.340 0.001 0.000 0.208 232 L C 2.423 179.228 176.870 -0.107 0.000 1.085 232 L CA 1.093 55.951 54.840 0.030 0.000 0.755 232 L CB -0.419 41.766 42.059 0.210 0.000 0.904 232 L HN 0.255 nan 8.230 nan 0.000 0.435 233 L N -0.948 120.173 121.223 -0.170 0.000 2.217 233 L HA -0.104 4.236 4.340 0.001 0.000 0.211 233 L C 2.571 179.316 176.870 -0.208 0.000 1.107 233 L CA 0.637 55.317 54.840 -0.267 0.000 0.783 233 L CB -0.446 41.376 42.059 -0.395 0.000 0.919 233 L HN 0.256 nan 8.230 nan 0.000 0.442 234 E N 0.125 120.227 120.200 -0.164 0.000 2.107 234 E HA -0.132 4.218 4.350 0.001 0.000 0.191 234 E C 2.270 178.822 176.600 -0.080 0.000 0.982 234 E CA 1.041 57.392 56.400 -0.081 0.000 0.809 234 E CB -0.050 29.601 29.700 -0.082 0.000 0.756 234 E HN 0.488 nan 8.360 nan 0.000 0.459 235 M N -0.250 119.231 119.600 -0.198 0.000 2.108 235 M HA -0.119 4.361 4.480 0.001 0.000 0.261 235 M C 2.295 178.254 176.300 -0.568 0.000 1.066 235 M CA 1.785 56.898 55.300 -0.312 0.000 1.107 235 M CB -0.529 31.794 32.600 -0.462 0.000 1.356 235 M HN 0.110 nan 8.290 nan 0.000 0.406 236 G N -0.354 108.027 108.800 -0.698 0.000 2.432 236 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 236 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 236 G C 1.326 176.162 174.900 -0.107 0.000 1.135 236 G CA 0.976 45.765 45.100 -0.518 0.000 0.767 236 G HN 0.570 nan 8.290 nan 0.000 0.550 237 E N -0.401 119.767 120.200 -0.052 0.000 2.072 237 E HA -0.146 4.204 4.350 0.001 0.000 0.191 237 E C 2.048 178.727 176.600 0.131 0.000 0.985 237 E CA 0.789 57.226 56.400 0.061 0.000 0.801 237 E CB -0.289 29.477 29.700 0.110 0.000 0.750 237 E HN 0.397 nan 8.360 nan 0.000 0.452 238 F N 0.449 120.443 119.950 0.072 0.000 2.171 238 F HA -0.150 4.378 4.527 0.001 0.000 0.300 238 F C 1.856 177.690 175.800 0.056 0.000 1.090 238 F CA 1.370 59.446 58.000 0.126 0.000 1.293 238 F CB -0.468 38.612 39.000 0.133 0.000 1.013 238 F HN 0.108 nan 8.300 nan 0.000 0.486 239 F N 1.053 120.797 119.950 -0.343 0.000 2.171 239 F HA -0.186 4.342 4.527 0.001 0.000 0.300 239 F C 2.485 178.131 175.800 -0.255 0.000 1.090 239 F CA 1.879 59.682 58.000 -0.329 0.000 1.293 239 F CB -0.501 38.501 39.000 0.002 0.000 1.013 239 F HN 0.102 nan 8.300 nan 0.000 0.486 240 Q N 0.832 120.630 119.800 -0.003 0.000 2.172 240 Q HA -0.083 4.257 4.340 0.001 0.000 0.200 240 Q C 1.996 177.936 176.000 -0.100 0.000 0.964 240 Q CA 1.728 57.511 55.803 -0.033 0.000 0.855 240 Q CB -0.458 28.319 28.738 0.066 0.000 0.918 240 Q HN 0.616 nan 8.270 nan 0.000 0.444 241 I N 0.079 120.547 120.570 -0.170 0.000 2.226 241 I HA -0.305 3.866 4.170 0.001 0.000 0.245 241 I C 2.476 178.346 176.117 -0.413 0.000 1.100 241 I CA 1.442 62.551 61.300 -0.319 0.000 1.374 241 I CB -0.292 37.303 38.000 -0.675 0.000 1.057 241 I HN 0.394 nan 8.210 nan 0.000 0.413 242 Q N 0.678 120.135 119.800 -0.572 0.000 2.124 242 Q HA -0.298 4.043 4.340 0.001 0.000 0.202 242 Q C 1.758 177.522 176.000 -0.394 0.000 0.977 242 Q CA 2.223 57.733 55.803 -0.489 0.000 0.850 242 Q CB -0.016 28.306 28.738 -0.693 0.000 0.901 242 Q HN 0.432 nan 8.270 nan 0.000 0.429 243 D N -0.070 120.075 120.400 -0.426 0.000 2.144 243 D HA -0.166 4.475 4.640 0.001 0.000 0.199 243 D C 1.189 177.390 176.300 -0.166 0.000 0.984 243 D CA 1.468 55.285 54.000 -0.305 0.000 0.834 243 D CB 0.012 40.650 40.800 -0.270 0.000 0.955 243 D HN 0.261 nan 8.370 nan 0.000 0.465 244 D N -0.926 119.410 120.400 -0.107 0.000 2.117 244 D HA -0.178 4.463 4.640 0.001 0.000 0.198 244 D C 1.672 177.939 176.300 -0.056 0.000 0.982 244 D CA 0.755 54.743 54.000 -0.021 0.000 0.828 244 D CB -0.579 40.284 40.800 0.105 0.000 0.967 244 D HN 0.360 nan 8.370 nan 0.000 0.464 245 Y N 1.362 121.487 120.300 -0.293 0.000 2.145 245 Y HA -0.126 4.424 4.550 0.001 0.000 0.286 245 Y C 2.061 177.841 175.900 -0.200 0.000 1.145 245 Y CA 1.351 59.233 58.100 -0.363 0.000 1.148 245 Y CB -0.377 37.358 38.460 -1.208 0.000 0.981 245 Y HN -0.096 nan 8.280 nan 0.000 0.507 246 L N 0.009 121.084 121.223 -0.247 0.000 2.275 246 L HA -0.151 4.190 4.340 0.001 0.000 0.215 246 L C 1.949 178.691 176.870 -0.214 0.000 1.119 246 L CA 1.489 56.196 54.840 -0.223 0.000 0.790 246 L CB -0.561 41.425 42.059 -0.122 0.000 0.919 246 L HN 0.230 nan 8.230 nan 0.000 0.443 247 D N 0.056 120.343 120.400 -0.189 0.000 2.178 247 D HA -0.211 4.430 4.640 0.001 0.000 0.201 247 D C 1.918 178.092 176.300 -0.210 0.000 0.980 247 D CA 0.968 54.876 54.000 -0.154 0.000 0.842 247 D CB 0.305 41.043 40.800 -0.104 0.000 0.948 247 D HN 0.148 nan 8.370 nan 0.000 0.472 248 L N -1.656 119.373 121.223 -0.325 0.000 2.467 248 L HA 0.297 4.638 4.340 0.001 0.000 0.213 248 L C 0.759 177.232 176.870 -0.663 0.000 1.053 248 L CA 0.896 55.431 54.840 -0.507 0.000 0.847 248 L CB 0.014 41.687 42.059 -0.644 0.000 1.075 248 L HN -0.042 nan 8.230 nan 0.000 0.479 249 F N -0.409 119.283 119.950 -0.431 0.000 2.682 249 F HA 0.485 5.012 4.527 0.001 0.000 0.308 249 F C 1.469 177.063 175.800 -0.343 0.000 1.093 249 F CA -0.249 57.472 58.000 -0.465 0.000 1.244 249 F CB -0.449 38.020 39.000 -0.886 0.000 1.052 249 F HN 0.031 nan 8.300 nan 0.000 0.573 250 G N -0.376 108.325 108.800 -0.165 0.000 2.599 250 G HA2 0.174 4.134 3.960 0.001 0.000 0.264 250 G HA3 0.174 4.134 3.960 0.001 0.000 0.264 250 G C -1.135 173.743 174.900 -0.036 0.000 1.200 250 G CA -0.233 44.829 45.100 -0.064 0.000 0.896 250 G HN -0.014 nan 8.290 nan 0.000 0.536 251 D N 0.231 120.626 120.400 -0.008 0.000 2.317 251 D HA 0.319 4.960 4.640 0.001 0.000 0.234 251 D C -1.447 174.844 176.300 -0.016 0.000 1.112 251 D CA -2.252 51.746 54.000 -0.005 0.000 0.840 251 D CB 1.873 42.681 40.800 0.013 0.000 1.078 251 D HN -0.086 nan 8.370 nan 0.000 0.486 252 P HA -0.139 nan 4.420 nan 0.000 0.219 252 P C 1.186 178.477 177.300 -0.016 0.000 1.146 252 P CA 1.028 64.113 63.100 -0.025 0.000 0.808 252 P CB 0.165 31.849 31.700 -0.027 0.000 0.779 253 S N -1.845 113.849 115.700 -0.010 0.000 2.428 253 S HA -0.063 4.407 4.470 0.001 0.000 0.230 253 S C 1.843 176.438 174.600 -0.008 0.000 1.014 253 S CA 1.016 59.211 58.200 -0.007 0.000 0.957 253 S CB -1.401 61.797 63.200 -0.002 0.000 0.784 253 S HN -0.004 nan 8.310 nan 0.000 0.499 254 V N 2.633 122.543 119.914 -0.007 0.000 2.492 254 V HA -0.061 4.059 4.120 0.001 0.000 0.241 254 V C 3.066 179.150 176.094 -0.016 0.000 1.041 254 V CA 1.750 64.045 62.300 -0.007 0.000 1.057 254 V CB -1.266 30.559 31.823 0.002 0.000 0.711 254 V HN 0.764 nan 8.190 nan 0.000 0.468 255 T N -1.634 112.907 114.554 -0.022 0.000 2.915 255 T HA 0.080 4.430 4.350 0.001 0.000 0.269 255 T C 1.680 176.364 174.700 -0.026 0.000 1.071 255 T CA 1.287 63.369 62.100 -0.031 0.000 1.132 255 T CB -0.107 68.736 68.868 -0.043 0.000 0.878 255 T HN 1.097 nan 8.240 nan 0.000 0.479 256 G N 1.946 110.733 108.800 -0.022 0.000 2.143 256 G HA2 -0.252 3.709 3.960 0.001 0.000 0.249 256 G HA3 -0.252 3.709 3.960 0.001 0.000 0.249 256 G C -0.077 174.818 174.900 -0.008 0.000 0.981 256 G CA 0.507 45.596 45.100 -0.017 0.000 0.665 256 G HN 1.060 nan 8.290 nan 0.000 0.528 257 K N -1.179 119.215 120.400 -0.011 0.000 2.597 257 K HA 0.714 5.035 4.320 0.001 0.000 0.282 257 K C -0.967 175.623 176.600 -0.017 0.000 0.975 257 K CA -1.425 54.860 56.287 -0.003 0.000 0.867 257 K CB 1.212 33.718 32.500 0.010 0.000 1.465 257 K HN -0.010 nan 8.250 nan 0.000 0.417 258 I N 1.930 122.493 120.570 -0.012 0.000 2.365 258 I HA 0.273 4.443 4.170 0.001 0.000 0.291 258 I C 0.935 177.032 176.117 -0.033 0.000 1.004 258 I CA 0.019 61.302 61.300 -0.028 0.000 1.311 258 I CB 0.770 38.756 38.000 -0.022 0.000 1.401 258 I HN 0.860 nan 8.210 nan 0.000 0.491 259 G N 3.360 112.124 108.800 -0.061 0.000 2.467 259 G HA2 0.413 4.373 3.960 0.001 0.000 0.257 259 G HA3 0.413 4.373 3.960 0.001 0.000 0.257 259 G C 0.483 175.345 174.900 -0.064 0.000 1.227 259 G CA -0.044 45.014 45.100 -0.069 0.000 0.835 259 G HN 0.755 nan 8.290 nan 0.000 0.556 260 T N -2.125 112.396 114.554 -0.055 0.000 3.144 260 T HA 0.148 4.499 4.350 0.001 0.000 0.290 260 T C 0.744 175.399 174.700 -0.075 0.000 0.966 260 T CA 0.028 62.094 62.100 -0.057 0.000 0.907 260 T CB 0.482 69.336 68.868 -0.024 0.000 1.152 260 T HN 0.276 nan 8.240 nan 0.000 0.532 261 D N 2.079 122.436 120.400 -0.071 0.000 2.117 261 D HA 0.040 4.681 4.640 0.001 0.000 0.197 261 D C 1.857 178.068 176.300 -0.148 0.000 0.987 261 D CA 0.927 54.891 54.000 -0.061 0.000 0.829 261 D CB -0.072 40.720 40.800 -0.014 0.000 0.961 261 D HN 0.454 nan 8.370 nan 0.000 0.460 262 I N 0.511 120.948 120.570 -0.222 0.000 2.163 262 I HA -0.281 3.890 4.170 0.001 0.000 0.240 262 I C 2.296 178.103 176.117 -0.517 0.000 1.081 262 I CA 1.019 62.004 61.300 -0.525 0.000 1.353 262 I CB -0.209 37.577 38.000 -0.356 0.000 1.054 262 I HN -0.110 nan 8.210 nan 0.000 0.407 263 Q N 0.687 120.321 119.800 -0.277 0.000 2.096 263 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 263 Q C 1.478 177.387 176.000 -0.151 0.000 0.982 263 Q CA 1.547 57.234 55.803 -0.192 0.000 0.850 263 Q CB -0.250 28.418 28.738 -0.117 0.000 0.901 263 Q HN 0.391 nan 8.270 nan 0.000 0.422 264 D N -0.551 119.775 120.400 -0.123 0.000 2.363 264 D HA -0.019 4.621 4.640 0.001 0.000 0.226 264 D C -0.241 176.048 176.300 -0.019 0.000 1.020 264 D CA 0.244 54.213 54.000 -0.053 0.000 0.892 264 D CB -0.167 40.618 40.800 -0.025 0.000 0.900 264 D HN 0.201 nan 8.370 nan 0.000 0.531 265 N N 0.490 119.136 118.700 -0.089 0.000 2.783 265 N HA -0.170 4.570 4.740 0.001 0.000 0.247 265 N C -0.993 174.709 175.510 0.319 0.000 1.089 265 N CA 0.402 53.526 53.050 0.123 0.000 0.690 265 N CB -0.555 38.049 38.487 0.194 0.000 0.991 265 N HN -0.046 nan 8.380 nan 0.000 0.552 266 K N 0.154 120.634 120.400 0.134 0.000 2.144 266 K HA 0.255 4.575 4.320 0.001 0.000 0.270 266 K C 0.314 176.713 176.600 -0.336 0.000 1.005 266 K CA -0.450 55.844 56.287 0.012 0.000 0.932 266 K CB 1.098 33.603 32.500 0.008 0.000 1.021 266 K HN 0.318 nan 8.250 nan 0.000 0.462 267 C N 4.072 123.090 119.300 -0.469 0.000 3.183 267 C HA 0.084 4.545 4.460 0.001 0.000 0.545 267 C C 0.941 175.853 174.990 -0.130 0.000 1.044 267 C CA -0.322 58.274 59.018 -0.703 0.000 1.117 267 C CB -2.484 25.142 27.740 -0.190 0.000 1.393 267 C HN 0.663 nan 8.230 nan 0.000 0.611 268 S N 2.354 117.965 115.700 -0.147 0.000 2.632 268 S HA 0.214 4.685 4.470 0.001 0.000 0.267 268 S C 0.606 175.117 174.600 -0.148 0.000 1.276 268 S CA -0.530 57.698 58.200 0.046 0.000 0.998 268 S CB 0.467 63.693 63.200 0.043 0.000 0.953 268 S HN 0.880 nan 8.310 nan 0.000 0.547 269 W N 2.061 123.098 121.300 -0.438 0.000 2.358 269 W HA -0.040 4.620 4.660 0.001 0.000 0.303 269 W C 1.641 177.893 176.519 -0.446 0.000 1.208 269 W CA 1.211 58.090 57.345 -0.777 0.000 1.274 269 W CB -0.545 28.535 29.460 -0.633 0.000 1.138 269 W HN 0.710 nan 8.180 nan 0.000 0.515 270 L N -0.205 120.911 121.223 -0.179 0.000 2.081 270 L HA -0.268 4.072 4.340 0.001 0.000 0.212 270 L C 2.396 178.891 176.870 -0.626 0.000 1.080 270 L CA 1.507 56.060 54.840 -0.479 0.000 0.754 270 L CB -1.360 40.478 42.059 -0.369 0.000 0.893 270 L HN -0.019 nan 8.230 nan 0.000 0.433 271 V N -1.006 118.700 119.914 -0.347 0.000 2.719 271 V HA -0.129 3.992 4.120 0.001 0.000 0.252 271 V C 2.209 178.143 176.094 -0.266 0.000 1.065 271 V CA 0.934 63.094 62.300 -0.233 0.000 1.086 271 V CB 0.608 32.269 31.823 -0.271 0.000 0.700 271 V HN 0.175 nan 8.190 nan 0.000 0.467 272 V N -0.307 119.384 119.914 -0.371 0.000 2.379 272 V HA -0.172 3.948 4.120 0.001 0.000 0.245 272 V C 2.584 178.441 176.094 -0.396 0.000 1.044 272 V CA 1.711 63.819 62.300 -0.320 0.000 1.036 272 V CB -0.537 31.055 31.823 -0.385 0.000 0.664 272 V HN 0.485 nan 8.190 nan 0.000 0.453 273 Q N -0.895 118.509 119.800 -0.659 0.000 2.079 273 Q HA -0.195 4.145 4.340 0.001 0.000 0.200 273 Q C 2.449 178.231 176.000 -0.364 0.000 0.974 273 Q CA 1.959 57.377 55.803 -0.643 0.000 0.840 273 Q CB -1.214 26.886 28.738 -1.064 0.000 0.898 273 Q HN 0.715 nan 8.270 nan 0.000 0.430 274 C N 0.469 119.574 119.300 -0.326 0.000 2.432 274 C HA -0.092 4.369 4.460 0.001 0.000 0.277 274 C C 2.744 177.705 174.990 -0.047 0.000 1.249 274 C CA 0.483 59.431 59.018 -0.117 0.000 1.725 274 C CB -1.133 26.634 27.740 0.045 0.000 2.028 274 C HN 0.489 nan 8.230 nan 0.000 0.477 275 L N 0.269 121.457 121.223 -0.058 0.000 2.127 275 L HA -0.205 4.135 4.340 0.001 0.000 0.211 275 L C 2.795 179.672 176.870 0.010 0.000 1.089 275 L CA 1.686 56.536 54.840 0.017 0.000 0.757 275 L CB -0.660 41.417 42.059 0.030 0.000 0.899 275 L HN 0.509 nan 8.230 nan 0.000 0.434 276 Q N -0.680 119.086 119.800 -0.056 0.000 2.378 276 Q HA -0.068 4.273 4.340 0.001 0.000 0.205 276 Q C 1.646 177.627 176.000 -0.033 0.000 0.954 276 Q CA 0.680 56.453 55.803 -0.051 0.000 0.901 276 Q CB 0.293 28.975 28.738 -0.094 0.000 0.981 276 Q HN 0.422 nan 8.270 nan 0.000 0.483 277 R N -0.978 119.506 120.500 -0.028 0.000 2.476 277 R HA 0.300 4.640 4.340 0.001 0.000 0.276 277 R C -0.323 175.987 176.300 0.017 0.000 0.941 277 R CA -0.138 55.955 56.100 -0.012 0.000 1.088 277 R CB 1.191 31.476 30.300 -0.025 0.000 1.216 277 R HN -0.058 nan 8.270 nan 0.000 0.533 278 A N 1.216 124.060 122.820 0.040 0.000 2.310 278 A HA 0.389 4.709 4.320 0.001 0.000 0.299 278 A C 0.438 178.063 177.584 0.068 0.000 1.147 278 A CA -0.445 51.633 52.037 0.068 0.000 0.818 278 A CB 0.533 19.597 19.000 0.106 0.000 1.096 278 A HN 0.230 nan 8.150 nan 0.000 0.495 279 T N 0.148 114.738 114.554 0.060 0.000 2.828 279 T HA 0.354 4.705 4.350 0.001 0.000 0.290 279 T C -1.894 172.850 174.700 0.072 0.000 1.019 279 T CA -1.141 60.986 62.100 0.045 0.000 1.031 279 T CB 0.457 69.346 68.868 0.035 0.000 1.001 279 T HN 0.308 nan 8.240 nan 0.000 0.531 280 P HA -0.048 nan 4.420 nan 0.000 0.219 280 P C 1.161 178.519 177.300 0.097 0.000 1.146 280 P CA 0.926 64.051 63.100 0.041 0.000 0.808 280 P CB 0.054 31.745 31.700 -0.016 0.000 0.779 281 E N -0.529 119.712 120.200 0.068 0.000 2.047 281 E HA -0.162 4.188 4.350 0.001 0.000 0.191 281 E C 2.164 178.810 176.600 0.076 0.000 0.987 281 E CA 1.209 57.647 56.400 0.063 0.000 0.799 281 E CB -0.806 28.917 29.700 0.040 0.000 0.752 281 E HN 0.358 nan 8.360 nan 0.000 0.449 282 Q N -0.720 119.128 119.800 0.080 0.000 2.046 282 Q HA -0.163 4.177 4.340 0.001 0.000 0.200 282 Q C 2.010 178.059 176.000 0.081 0.000 0.975 282 Q CA 1.441 57.286 55.803 0.070 0.000 0.836 282 Q CB -0.337 28.442 28.738 0.068 0.000 0.896 282 Q HN 0.384 nan 8.270 nan 0.000 0.428 283 Y N 1.440 121.741 120.300 0.001 0.000 2.102 283 Y HA -0.350 4.201 4.550 0.001 0.000 0.280 283 Y C 2.317 178.214 175.900 -0.006 0.000 1.178 283 Y CA 1.676 59.772 58.100 -0.006 0.000 1.146 283 Y CB 0.068 38.520 38.460 -0.013 0.000 0.968 283 Y HN 0.097 nan 8.280 nan 0.000 0.504 284 Q N 0.322 120.255 119.800 0.222 0.000 2.124 284 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 284 Q C 2.428 178.426 176.000 -0.003 0.000 0.977 284 Q CA 1.831 57.704 55.803 0.118 0.000 0.850 284 Q CB -0.294 28.521 28.738 0.127 0.000 0.901 284 Q HN 0.663 nan 8.270 nan 0.000 0.429 285 I N 0.101 120.668 120.570 -0.005 0.000 2.315 285 I HA -0.267 3.903 4.170 0.001 0.000 0.248 285 I C 2.231 178.316 176.117 -0.055 0.000 1.117 285 I CA 0.504 61.791 61.300 -0.022 0.000 1.404 285 I CB -0.206 37.788 38.000 -0.010 0.000 1.071 285 I HN 0.160 nan 8.210 nan 0.000 0.419 286 L N 1.209 122.370 121.223 -0.103 0.000 2.027 286 L HA -0.212 4.128 4.340 0.001 0.000 0.206 286 L C 2.505 179.295 176.870 -0.134 0.000 1.074 286 L CA 1.876 56.641 54.840 -0.126 0.000 0.745 286 L CB -0.620 41.312 42.059 -0.212 0.000 0.898 286 L HN 0.065 nan 8.230 nan 0.000 0.433 287 K N -0.280 119.968 120.400 -0.253 0.000 2.113 287 K HA -0.227 4.093 4.320 0.001 0.000 0.208 287 K C 1.707 178.274 176.600 -0.055 0.000 1.047 287 K CA 1.899 58.065 56.287 -0.202 0.000 0.928 287 K CB -0.098 32.276 32.500 -0.210 0.000 0.716 287 K HN 0.697 nan 8.250 nan 0.000 0.446 288 E N -1.450 118.729 120.200 -0.034 0.000 2.472 288 E HA -0.028 4.323 4.350 0.001 0.000 0.196 288 E C 0.453 177.054 176.600 0.002 0.000 1.033 288 E CA 0.414 56.809 56.400 -0.007 0.000 0.886 288 E CB 0.218 29.915 29.700 -0.005 0.000 0.944 288 E HN 0.301 nan 8.360 nan 0.000 0.492 289 N N -0.667 118.040 118.700 0.012 0.000 2.210 289 N HA 0.081 4.822 4.740 0.001 0.000 0.203 289 N C -0.894 174.636 175.510 0.032 0.000 1.175 289 N CA -0.279 52.774 53.050 0.005 0.000 0.894 289 N CB 0.444 38.919 38.487 -0.020 0.000 1.041 289 N HN 0.064 nan 8.380 nan 0.000 0.506 290 Y N 0.581 120.847 120.300 -0.056 0.000 2.307 290 Y HA 0.430 4.980 4.550 0.001 0.000 0.324 290 Y C 1.433 177.333 175.900 0.001 0.000 1.238 290 Y CA 0.550 58.635 58.100 -0.025 0.000 1.280 290 Y CB 1.037 39.503 38.460 0.010 0.000 1.248 290 Y HN 0.190 nan 8.280 nan 0.000 0.508 291 G N 3.027 111.609 108.800 -0.364 0.000 2.147 291 G HA2 -0.240 3.721 3.960 0.001 0.000 0.244 291 G HA3 -0.240 3.721 3.960 0.001 0.000 0.244 291 G C -0.397 174.446 174.900 -0.095 0.000 1.005 291 G CA 0.239 45.244 45.100 -0.159 0.000 0.713 291 G HN 0.613 nan 8.290 nan 0.000 0.515 292 Q N -1.370 118.357 119.800 -0.123 0.000 2.423 292 Q HA 0.552 4.892 4.340 0.001 0.000 0.278 292 Q C 0.420 176.368 176.000 -0.088 0.000 1.097 292 Q CA -1.170 54.587 55.803 -0.077 0.000 0.809 292 Q CB 1.399 30.107 28.738 -0.050 0.000 1.391 292 Q HN 0.028 nan 8.270 nan 0.000 0.428 293 K N 0.391 120.754 120.400 -0.061 0.000 2.444 293 K HA 0.114 4.434 4.320 0.001 0.000 0.193 293 K C -0.451 176.116 176.600 -0.054 0.000 1.024 293 K CA 0.315 56.567 56.287 -0.057 0.000 1.077 293 K CB 0.313 32.790 32.500 -0.039 0.000 0.833 293 K HN 0.530 nan 8.250 nan 0.000 0.517 294 E N 0.925 121.093 120.200 -0.053 0.000 2.223 294 E HA 0.191 4.541 4.350 0.001 0.000 0.282 294 E C 0.933 177.499 176.600 -0.056 0.000 1.046 294 E CA -0.024 56.348 56.400 -0.047 0.000 0.857 294 E CB 1.211 30.887 29.700 -0.039 0.000 1.055 294 E HN 0.100 nan 8.360 nan 0.000 0.409 295 A N 4.520 127.309 122.820 -0.052 0.000 1.915 295 A HA -0.383 3.937 4.320 0.001 0.000 0.220 295 A C 1.914 179.462 177.584 -0.059 0.000 1.198 295 A CA 2.410 54.413 52.037 -0.057 0.000 0.647 295 A CB -0.695 18.277 19.000 -0.046 0.000 0.825 295 A HN 0.846 nan 8.150 nan 0.000 0.456 296 E N -0.066 120.105 120.200 -0.048 0.000 2.085 296 E HA -0.246 4.105 4.350 0.001 0.000 0.194 296 E C 1.870 178.437 176.600 -0.055 0.000 0.994 296 E CA 1.521 57.894 56.400 -0.046 0.000 0.801 296 E CB -0.351 29.328 29.700 -0.034 0.000 0.743 296 E HN 0.652 nan 8.360 nan 0.000 0.453 297 K N 0.657 121.023 120.400 -0.057 0.000 2.148 297 K HA -0.040 4.280 4.320 0.001 0.000 0.204 297 K C 2.209 178.756 176.600 -0.089 0.000 1.050 297 K CA 1.154 57.404 56.287 -0.062 0.000 0.942 297 K CB 0.048 32.515 32.500 -0.054 0.000 0.724 297 K HN 0.022 nan 8.250 nan 0.000 0.446 298 V N 1.406 121.257 119.914 -0.105 0.000 2.358 298 V HA -0.209 3.911 4.120 0.001 0.000 0.246 298 V C 2.325 178.333 176.094 -0.145 0.000 1.047 298 V CA 1.963 64.179 62.300 -0.140 0.000 1.035 298 V CB -0.545 31.195 31.823 -0.139 0.000 0.658 298 V HN 0.331 nan 8.190 nan 0.000 0.452 299 A N 0.093 122.846 122.820 -0.111 0.000 1.972 299 A HA -0.248 4.073 4.320 0.001 0.000 0.219 299 A C 2.280 179.804 177.584 -0.099 0.000 1.169 299 A CA 2.026 54.003 52.037 -0.099 0.000 0.635 299 A CB -0.489 18.470 19.000 -0.068 0.000 0.810 299 A HN 0.432 nan 8.150 nan 0.000 0.446 300 R N -0.070 120.374 120.500 -0.093 0.000 2.066 300 R HA -0.059 4.281 4.340 0.001 0.000 0.232 300 R C 1.894 178.115 176.300 -0.133 0.000 1.131 300 R CA 1.955 58.004 56.100 -0.085 0.000 0.955 300 R CB -1.137 29.125 30.300 -0.063 0.000 0.851 300 R HN 0.273 nan 8.270 nan 0.000 0.432 301 V N 1.218 121.020 119.914 -0.187 0.000 2.295 301 V HA -0.253 3.867 4.120 0.001 0.000 0.246 301 V C 2.404 178.157 176.094 -0.568 0.000 1.049 301 V CA 2.233 64.324 62.300 -0.348 0.000 1.024 301 V CB -0.588 31.053 31.823 -0.302 0.000 0.648 301 V HN 0.407 nan 8.190 nan 0.000 0.447 302 K N 0.335 120.498 120.400 -0.396 0.000 2.063 302 K HA -0.223 4.098 4.320 0.001 0.000 0.208 302 K C 2.141 178.703 176.600 -0.065 0.000 1.048 302 K CA 1.718 57.840 56.287 -0.275 0.000 0.928 302 K CB -0.342 32.036 32.500 -0.203 0.000 0.713 302 K HN 0.441 nan 8.250 nan 0.000 0.442 303 A N 1.121 123.902 122.820 -0.065 0.000 1.898 303 A HA -0.128 4.192 4.320 0.001 0.000 0.216 303 A C 2.019 179.627 177.584 0.039 0.000 1.181 303 A CA 1.267 53.312 52.037 0.014 0.000 0.620 303 A CB -0.564 18.431 19.000 -0.008 0.000 0.819 303 A HN 0.406 nan 8.150 nan 0.000 0.442 304 L N -1.428 119.781 121.223 -0.023 0.000 2.083 304 L HA -0.139 4.201 4.340 0.001 0.000 0.209 304 L C 2.190 179.172 176.870 0.186 0.000 1.083 304 L CA 1.823 56.682 54.840 0.032 0.000 0.752 304 L CB -0.785 41.255 42.059 -0.031 0.000 0.899 304 L HN 0.444 nan 8.230 nan 0.000 0.433 305 Y N 0.504 120.868 120.300 0.106 0.000 2.200 305 Y HA -0.157 4.393 4.550 0.001 0.000 0.290 305 Y C 2.626 178.626 175.900 0.167 0.000 1.137 305 Y CA 1.400 59.597 58.100 0.161 0.000 1.163 305 Y CB -0.805 37.830 38.460 0.293 0.000 0.988 305 Y HN 0.397 nan 8.280 nan 0.000 0.518 306 E N -0.213 120.203 120.200 0.360 0.000 2.107 306 E HA -0.182 4.168 4.350 0.001 0.000 0.191 306 E C 2.142 178.823 176.600 0.134 0.000 0.982 306 E CA 0.813 57.346 56.400 0.221 0.000 0.809 306 E CB -0.089 29.742 29.700 0.219 0.000 0.756 306 E HN 0.485 nan 8.360 nan 0.000 0.459 307 E N 0.926 121.201 120.200 0.124 0.000 2.077 307 E HA -0.183 4.167 4.350 0.001 0.000 0.193 307 E C 1.666 178.314 176.600 0.079 0.000 0.989 307 E CA 0.783 57.234 56.400 0.085 0.000 0.800 307 E CB 0.057 29.799 29.700 0.070 0.000 0.746 307 E HN 0.252 nan 8.360 nan 0.000 0.452 308 L N 0.782 122.066 121.223 0.101 0.000 2.627 308 L HA 0.022 4.363 4.340 0.001 0.000 0.233 308 L C 0.079 176.984 176.870 0.059 0.000 1.144 308 L CA 0.142 55.027 54.840 0.075 0.000 0.892 308 L CB -0.078 42.029 42.059 0.080 0.000 1.039 308 L HN 0.104 nan 8.230 nan 0.000 0.442 309 D N 0.156 120.597 120.400 0.068 0.000 2.723 309 D HA -0.208 4.432 4.640 0.001 0.000 0.236 309 D C 1.227 177.553 176.300 0.043 0.000 1.138 309 D CA 0.425 54.453 54.000 0.046 0.000 0.676 309 D CB -0.830 39.992 40.800 0.036 0.000 1.069 309 D HN 0.375 nan 8.370 nan 0.000 0.430 310 L N -0.626 120.627 121.223 0.049 0.000 2.093 310 L HA -0.106 4.235 4.340 0.001 0.000 0.208 310 L C -0.484 176.460 176.870 0.123 0.000 1.085 310 L CA 1.179 56.052 54.840 0.055 0.000 0.755 310 L CB -1.136 40.926 42.059 0.005 0.000 0.904 310 L HN 0.128 nan 8.230 nan 0.000 0.435 311 P HA -0.193 nan 4.420 nan 0.000 0.216 311 P C 1.462 178.810 177.300 0.079 0.000 1.150 311 P CA 1.809 64.914 63.100 0.008 0.000 0.843 311 P CB 0.020 31.573 31.700 -0.245 0.000 0.787 312 A N -0.616 122.234 122.820 0.050 0.000 1.873 312 A HA -0.145 4.175 4.320 0.001 0.000 0.215 312 A C 2.347 179.980 177.584 0.081 0.000 1.186 312 A CA 1.782 53.848 52.037 0.048 0.000 0.616 312 A CB -1.694 17.326 19.000 0.033 0.000 0.823 312 A HN 0.026 nan 8.150 nan 0.000 0.442 313 V N -0.981 119.009 119.914 0.127 0.000 2.392 313 V HA -0.265 3.855 4.120 0.001 0.000 0.249 313 V C 2.291 178.569 176.094 0.307 0.000 1.059 313 V CA 2.215 64.628 62.300 0.188 0.000 1.051 313 V CB -0.971 30.954 31.823 0.171 0.000 0.658 313 V HN 0.645 nan 8.190 nan 0.000 0.455 314 F N 0.610 120.684 119.950 0.206 0.000 2.113 314 F HA -0.155 4.373 4.527 0.001 0.000 0.297 314 F C 2.045 177.806 175.800 -0.064 0.000 1.103 314 F CA 1.784 59.809 58.000 0.042 0.000 1.248 314 F CB -0.363 38.457 39.000 -0.300 0.000 0.999 314 F HN 0.152 nan 8.300 nan 0.000 0.475 315 L N 0.751 121.849 121.223 -0.209 0.000 2.127 315 L HA -0.193 4.147 4.340 0.001 0.000 0.211 315 L C 2.279 179.023 176.870 -0.210 0.000 1.089 315 L CA 2.052 56.737 54.840 -0.259 0.000 0.757 315 L CB -1.232 40.778 42.059 -0.083 0.000 0.899 315 L HN 0.337 nan 8.230 nan 0.000 0.434 316 Q N -1.539 118.203 119.800 -0.096 0.000 2.123 316 Q HA -0.247 4.094 4.340 0.001 0.000 0.199 316 Q C 2.130 178.090 176.000 -0.067 0.000 0.966 316 Q CA 1.862 57.630 55.803 -0.058 0.000 0.845 316 Q CB -0.660 28.084 28.738 0.010 0.000 0.907 316 Q HN 0.678 nan 8.270 nan 0.000 0.439 317 Y N 0.691 120.899 120.300 -0.153 0.000 2.293 317 Y HA -0.114 4.436 4.550 0.001 0.000 0.291 317 Y C 1.996 177.775 175.900 -0.203 0.000 1.137 317 Y CA 1.956 59.978 58.100 -0.131 0.000 1.202 317 Y CB 0.033 38.448 38.460 -0.075 0.000 0.990 317 Y HN 0.312 nan 8.280 nan 0.000 0.537 318 E N -0.147 119.871 120.200 -0.302 0.000 2.150 318 E HA -0.189 4.162 4.350 0.001 0.000 0.193 318 E C 1.854 178.282 176.600 -0.288 0.000 0.985 318 E CA 1.330 57.572 56.400 -0.263 0.000 0.814 318 E CB 0.055 29.576 29.700 -0.299 0.000 0.752 318 E HN 0.548 nan 8.360 nan 0.000 0.466 319 E N 0.870 120.918 120.200 -0.253 0.000 2.046 319 E HA -0.165 4.185 4.350 0.001 0.000 0.190 319 E C 1.761 178.235 176.600 -0.210 0.000 0.982 319 E CA 1.080 57.353 56.400 -0.211 0.000 0.800 319 E CB -0.235 29.370 29.700 -0.159 0.000 0.756 319 E HN 0.352 nan 8.360 nan 0.000 0.449 320 D N 0.727 120.979 120.400 -0.248 0.000 2.144 320 D HA -0.099 4.542 4.640 0.001 0.000 0.200 320 D C 1.992 178.105 176.300 -0.313 0.000 0.978 320 D CA 1.034 54.887 54.000 -0.244 0.000 0.833 320 D CB -0.368 40.294 40.800 -0.230 0.000 0.961 320 D HN 0.015 nan 8.370 nan 0.000 0.470 321 S N -0.649 114.751 115.700 -0.501 0.000 2.356 321 S HA -0.227 4.243 4.470 0.001 0.000 0.223 321 S C 2.049 176.399 174.600 -0.417 0.000 1.032 321 S CA 0.840 58.763 58.200 -0.461 0.000 1.005 321 S CB -0.482 62.374 63.200 -0.573 0.000 0.867 321 S HN 0.334 nan 8.310 nan 0.000 0.449 322 Y N 1.994 121.840 120.300 -0.757 0.000 2.128 322 Y HA -0.109 4.441 4.550 0.001 0.000 0.284 322 Y C 2.604 178.152 175.900 -0.587 0.000 1.154 322 Y CA 2.055 59.505 58.100 -1.084 0.000 1.149 322 Y CB -0.817 36.997 38.460 -1.077 0.000 0.976 322 Y HN 0.287 nan 8.280 nan 0.000 0.505 323 S N -0.845 114.656 115.700 -0.332 0.000 2.368 323 S HA -0.267 4.203 4.470 0.001 0.000 0.225 323 S C 1.790 176.230 174.600 -0.267 0.000 1.030 323 S CA 1.521 59.551 58.200 -0.282 0.000 0.999 323 S CB -0.685 62.436 63.200 -0.133 0.000 0.844 323 S HN 0.732 nan 8.310 nan 0.000 0.459 324 H N 1.118 120.004 119.070 -0.307 0.000 2.352 324 H HA -0.004 4.552 4.556 0.001 0.000 0.299 324 H C 1.784 176.958 175.328 -0.257 0.000 1.097 324 H CA 1.510 57.415 56.048 -0.238 0.000 1.311 324 H CB -0.446 29.196 29.762 -0.199 0.000 1.377 324 H HN 0.240 nan 8.280 nan 0.000 0.504 325 I N -0.177 120.109 120.570 -0.473 0.000 2.315 325 I HA -0.231 3.940 4.170 0.001 0.000 0.248 325 I C 2.069 177.907 176.117 -0.465 0.000 1.117 325 I CA 0.931 61.937 61.300 -0.490 0.000 1.404 325 I CB -0.422 37.352 38.000 -0.376 0.000 1.071 325 I HN 0.323 nan 8.210 nan 0.000 0.419 326 M N -0.181 119.093 119.600 -0.543 0.000 2.159 326 M HA -0.134 4.347 4.480 0.001 0.000 0.263 326 M C 2.469 178.585 176.300 -0.307 0.000 1.063 326 M CA 1.831 56.862 55.300 -0.447 0.000 1.110 326 M CB -1.689 30.600 32.600 -0.519 0.000 1.374 326 M HN 0.298 nan 8.290 nan 0.000 0.411 327 A N 0.172 122.822 122.820 -0.283 0.000 1.877 327 A HA -0.117 4.203 4.320 0.001 0.000 0.216 327 A C 2.334 179.789 177.584 -0.215 0.000 1.186 327 A CA 1.275 53.187 52.037 -0.208 0.000 0.620 327 A CB -0.938 17.974 19.000 -0.147 0.000 0.822 327 A HN 0.466 nan 8.150 nan 0.000 0.443 328 L N -0.349 120.715 121.223 -0.264 0.000 2.079 328 L HA -0.207 4.134 4.340 0.001 0.000 0.210 328 L C 2.446 179.215 176.870 -0.168 0.000 1.081 328 L CA 1.213 55.951 54.840 -0.170 0.000 0.752 328 L CB -0.522 41.373 42.059 -0.275 0.000 0.896 328 L HN 0.406 nan 8.230 nan 0.000 0.433 329 I N -0.460 119.953 120.570 -0.260 0.000 2.286 329 I HA -0.261 3.909 4.170 0.001 0.000 0.248 329 I C 2.385 178.387 176.117 -0.191 0.000 1.115 329 I CA 1.282 62.418 61.300 -0.273 0.000 1.392 329 I CB -0.355 37.514 38.000 -0.219 0.000 1.065 329 I HN 0.336 nan 8.210 nan 0.000 0.418 330 E N 0.496 120.589 120.200 -0.179 0.000 2.077 330 E HA -0.305 4.046 4.350 0.001 0.000 0.193 330 E C 2.162 178.648 176.600 -0.189 0.000 0.989 330 E CA 1.265 57.572 56.400 -0.155 0.000 0.800 330 E CB -0.135 29.478 29.700 -0.146 0.000 0.746 330 E HN 0.503 nan 8.360 nan 0.000 0.452 331 Q N -0.396 119.243 119.800 -0.267 0.000 2.079 331 Q HA -0.144 4.196 4.340 0.001 0.000 0.200 331 Q C 0.923 176.622 176.000 -0.502 0.000 0.974 331 Q CA 1.374 56.901 55.803 -0.460 0.000 0.840 331 Q CB 0.178 28.488 28.738 -0.715 0.000 0.898 331 Q HN 0.388 nan 8.270 nan 0.000 0.430 332 Y N -1.995 118.198 120.300 -0.178 0.000 2.500 332 Y HA 0.388 4.938 4.550 0.001 0.000 0.246 332 Y C 1.695 177.478 175.900 -0.196 0.000 1.146 332 Y CA -0.038 57.953 58.100 -0.182 0.000 1.230 332 Y CB 0.624 38.947 38.460 -0.227 0.000 1.214 332 Y HN 0.197 nan 8.280 nan 0.000 0.526 333 A N 1.188 123.962 122.820 -0.078 0.000 1.873 333 A HA 0.144 4.464 4.320 0.001 0.000 0.215 333 A C 1.623 179.277 177.584 0.117 0.000 1.186 333 A CA 0.871 52.906 52.037 -0.004 0.000 0.616 333 A CB -0.944 18.081 19.000 0.041 0.000 0.823 333 A HN 0.240 nan 8.150 nan 0.000 0.442 334 A N 0.296 123.145 122.820 0.049 0.000 2.466 334 A HA 0.409 4.729 4.320 0.001 0.000 0.238 334 A C -0.793 176.823 177.584 0.055 0.000 1.074 334 A CA -0.275 51.788 52.037 0.044 0.000 0.774 334 A CB -0.147 18.858 19.000 0.009 0.000 1.015 334 A HN 0.351 nan 8.150 nan 0.000 0.498 335 P HA 0.088 nan 4.420 nan 0.000 0.245 335 P C -0.063 177.257 177.300 0.032 0.000 1.212 335 P CA 0.264 63.382 63.100 0.030 0.000 0.774 335 P CB -0.105 31.608 31.700 0.021 0.000 0.999 336 L N 1.445 122.705 121.223 0.062 0.000 2.456 336 L HA 0.183 4.524 4.340 0.001 0.000 0.272 336 L C -1.901 175.004 176.870 0.060 0.000 1.189 336 L CA -2.022 52.850 54.840 0.052 0.000 0.846 336 L CB -0.564 41.559 42.059 0.106 0.000 1.111 336 L HN -0.192 nan 8.230 nan 0.000 0.475 337 P HA 0.051 nan 4.420 nan 0.000 0.263 337 P C -2.101 175.226 177.300 0.046 0.000 1.195 337 P CA -0.931 62.169 63.100 -0.001 0.000 0.762 337 P CB 0.179 31.850 31.700 -0.048 0.000 0.799 338 P HA -0.168 nan 4.420 nan 0.000 0.223 338 P C 1.152 178.522 177.300 0.116 0.000 1.144 338 P CA 1.277 64.466 63.100 0.149 0.000 0.783 338 P CB -0.164 31.580 31.700 0.073 0.000 0.771 339 A N -0.586 122.252 122.820 0.031 0.000 1.969 339 A HA -0.128 4.192 4.320 0.001 0.000 0.218 339 A C 2.276 179.836 177.584 -0.040 0.000 1.169 339 A CA 1.289 53.328 52.037 0.004 0.000 0.635 339 A CB -1.621 17.364 19.000 -0.024 0.000 0.810 339 A HN 0.018 nan 8.150 nan 0.000 0.445 340 V N -1.047 118.784 119.914 -0.138 0.000 2.278 340 V HA -0.325 3.795 4.120 0.001 0.000 0.251 340 V C 2.282 178.188 176.094 -0.313 0.000 1.062 340 V CA 2.521 64.632 62.300 -0.315 0.000 1.038 340 V CB -0.913 30.563 31.823 -0.578 0.000 0.646 340 V HN 0.630 nan 8.190 nan 0.000 0.447 341 F N -1.163 118.789 119.950 0.002 0.000 2.473 341 F HA 0.125 4.652 4.527 0.001 0.000 0.294 341 F C 1.984 177.807 175.800 0.038 0.000 1.103 341 F CA 0.674 58.684 58.000 0.017 0.000 1.442 341 F CB -0.457 38.534 39.000 -0.015 0.000 1.097 341 F HN 0.033 nan 8.300 nan 0.000 0.547 342 L N -0.482 120.852 121.223 0.186 0.000 2.156 342 L HA -0.030 4.310 4.340 0.001 0.000 0.208 342 L C 2.663 179.626 176.870 0.156 0.000 1.095 342 L CA 1.264 56.185 54.840 0.135 0.000 0.770 342 L CB -1.141 40.971 42.059 0.087 0.000 0.914 342 L HN 0.240 nan 8.230 nan 0.000 0.439 343 G N -0.272 108.617 108.800 0.149 0.000 2.448 343 G HA2 -0.193 3.768 3.960 0.001 0.000 0.218 343 G HA3 -0.193 3.768 3.960 0.001 0.000 0.218 343 G C 1.525 176.639 174.900 0.357 0.000 1.135 343 G CA 0.188 45.428 45.100 0.232 0.000 0.784 343 G HN 0.127 nan 8.290 nan 0.000 0.543 344 L N 1.335 122.727 121.223 0.282 0.000 2.023 344 L HA 0.281 4.622 4.340 0.001 0.000 0.205 344 L C 3.075 180.088 176.870 0.237 0.000 1.073 344 L CA 1.930 56.918 54.840 0.247 0.000 0.745 344 L CB -0.937 41.266 42.059 0.240 0.000 0.900 344 L HN 0.218 nan 8.230 nan 0.000 0.435 345 A N -0.440 122.539 122.820 0.265 0.000 1.908 345 A HA -0.263 4.057 4.320 0.001 0.000 0.218 345 A C 2.529 180.354 177.584 0.402 0.000 1.181 345 A CA 1.838 54.089 52.037 0.358 0.000 0.627 345 A CB -0.710 18.436 19.000 0.242 0.000 0.818 345 A HN 0.469 nan 8.150 nan 0.000 0.445 346 R N -0.614 120.057 120.500 0.285 0.000 2.117 346 R HA -0.166 4.175 4.340 0.001 0.000 0.243 346 R C 1.783 178.187 176.300 0.174 0.000 1.143 346 R CA 1.645 57.884 56.100 0.232 0.000 0.968 346 R CB -0.163 30.245 30.300 0.180 0.000 0.863 346 R HN 0.255 nan 8.270 nan 0.000 0.444 347 K N 0.824 121.298 120.400 0.124 0.000 2.217 347 K HA -0.080 4.240 4.320 0.001 0.000 0.202 347 K C 1.922 178.562 176.600 0.066 0.000 1.051 347 K CA 1.156 57.449 56.287 0.011 0.000 0.952 347 K CB 0.063 32.431 32.500 -0.220 0.000 0.736 347 K HN 0.514 nan 8.250 nan 0.000 0.453 348 I N -3.949 116.700 120.570 0.132 0.000 4.139 348 I HA 0.149 4.319 4.170 0.001 0.000 0.335 348 I C -0.302 175.828 176.117 0.023 0.000 1.327 348 I CA -0.395 60.989 61.300 0.140 0.000 1.112 348 I CB 0.267 38.419 38.000 0.254 0.000 1.058 348 I HN -0.235 nan 8.210 nan 0.000 0.396 349 Y N 3.330 123.729 120.300 0.166 0.000 2.353 349 Y HA 0.472 5.022 4.550 0.001 0.000 0.340 349 Y C 0.664 176.555 175.900 -0.016 0.000 0.972 349 Y CA -0.185 57.943 58.100 0.047 0.000 1.157 349 Y CB 0.651 39.099 38.460 -0.020 0.000 1.157 349 Y HN 0.140 nan 8.280 nan 0.000 0.495 350 K N 0.000 120.479 120.400 0.131 0.000 2.780 350 K HA 0.000 4.320 4.320 0.001 0.000 0.191 350 K CA 0.000 56.324 56.287 0.062 0.000 0.838 350 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 350 K HN 0.000 nan 8.250 nan 0.000 0.543