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 3mag_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDVVSLDKPF MYFEEIDNEL DYEPESANEV AKKLPYQGQL KLLLGELFFL DATA SEQUENCE SKLQRHGILD GATVVYIGSA PGTHIRYLRD HFYNLGVIIK WMLIDGRHHD DATA SEQUENCE PILNGLRDVT LVTRFVDEEY LRSIKKQLHP SKIILISDVR SXXXXXXPST DATA SEQUENCE ADLLSNYALQ NVMISILNPV ASSLKWRCPF PDQWIKDFYI PHGNKMLQPF DATA SEQUENCE APSYSAEMRL LSIYTGENMR LTRVTKSDAV NYEKKMYYLN KIVRNKVVVN DATA SEQUENCE FDYPNQEYDY FHMYFMLRTV YCNKTFPTTK AKVLFLQQSI FRFLNIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 D N 5.996 126.394 120.400 -0.003 0.000 2.631 2 D HA 0.222 nan 4.640 nan 0.000 0.227 2 D C -0.898 175.392 176.300 -0.017 0.000 1.146 2 D CA -0.897 53.096 54.000 -0.011 0.000 1.009 2 D CB -0.459 40.333 40.800 -0.015 0.000 1.057 2 D HN 0.249 8.620 8.370 0.001 0.000 0.509 3 V N -1.527 118.376 119.914 -0.018 0.000 2.834 3 V HA 0.697 nan 4.120 nan 0.000 0.301 3 V C -1.675 174.397 176.094 -0.037 0.000 1.066 3 V CA -1.334 60.951 62.300 -0.025 0.000 1.052 3 V CB 0.856 32.667 31.823 -0.020 0.000 1.021 3 V HN -0.585 7.596 8.190 -0.015 0.000 0.480 4 V N 2.741 122.622 119.914 -0.055 0.000 3.279 4 V HA 0.384 nan 4.120 nan 0.000 0.296 4 V C -2.517 173.517 176.094 -0.100 0.000 1.470 4 V CA -0.510 61.749 62.300 -0.069 0.000 1.065 4 V CB 4.194 35.974 31.823 -0.072 0.000 1.124 4 V HN -0.130 8.025 8.190 -0.059 0.000 0.461 5 S N 0.871 116.510 115.700 -0.102 0.000 2.605 5 S HA 0.475 nan 4.470 nan 0.000 0.308 5 S C -1.804 172.712 174.600 -0.139 0.000 1.113 5 S CA -0.717 57.409 58.200 -0.123 0.000 1.049 5 S CB 1.222 64.379 63.200 -0.072 0.000 1.001 5 S HN 0.090 8.351 8.310 -0.082 0.000 0.480 6 L N 4.091 125.181 121.223 -0.222 0.000 2.341 6 L HA 0.203 nan 4.340 nan 0.000 0.267 6 L C -0.393 176.441 176.870 -0.061 0.000 1.009 6 L CA -0.269 54.471 54.840 -0.167 0.000 0.819 6 L CB 3.421 45.357 42.059 -0.205 0.000 1.323 6 L HN 0.135 8.173 8.230 -0.321 0.000 0.425 7 D N 0.830 121.231 120.400 0.001 0.000 2.107 7 D HA -0.060 nan 4.640 nan 0.000 0.204 7 D C -0.999 175.374 176.300 0.121 0.000 0.978 7 D CA 1.858 55.899 54.000 0.067 0.000 0.852 7 D CB 0.704 41.519 40.800 0.026 0.000 1.008 7 D HN 0.203 8.548 8.370 -0.041 0.000 0.458 8 K N -3.900 116.450 120.400 -0.083 0.000 2.466 8 K HA 0.316 nan 4.320 nan 0.000 0.260 8 K C -2.412 173.827 176.600 -0.601 0.000 1.011 8 K CA -3.047 52.898 56.287 -0.570 0.000 0.871 8 K CB 0.365 32.601 32.500 -0.440 0.000 1.404 8 K HN -0.700 7.487 8.250 -0.105 0.000 0.450 9 P HA 0.345 nan 4.420 nan 0.000 0.285 9 P C -1.064 175.883 177.300 -0.588 0.000 1.285 9 P CA -1.125 61.516 63.100 -0.765 0.000 0.854 9 P CB 0.994 31.977 31.700 -1.195 0.000 1.180 10 F N -0.404 119.398 119.950 -0.246 0.000 2.471 10 F HA -0.071 nan 4.527 nan 0.000 0.365 10 F C 0.415 175.980 175.800 -0.392 0.000 1.095 10 F CA 0.386 58.258 58.000 -0.215 0.000 1.174 10 F CB -0.116 38.806 39.000 -0.129 0.000 1.105 10 F HN 0.317 8.487 8.300 -0.216 0.000 0.535 11 M N 1.778 121.317 119.600 -0.102 0.000 2.466 11 M HA 0.004 nan 4.480 nan 0.000 0.265 11 M C -1.208 174.829 176.300 -0.438 0.000 1.122 11 M CA 0.317 55.445 55.300 -0.287 0.000 1.157 11 M CB 1.235 33.702 32.600 -0.222 0.000 1.352 11 M HN 0.503 9.184 8.290 0.031 -0.372 0.464 12 Y N -4.594 115.786 120.300 0.132 0.000 2.570 12 Y HA 0.228 nan 4.550 nan 0.000 0.345 12 Y C 0.913 176.910 175.900 0.161 0.000 1.014 12 Y CA -1.557 56.646 58.100 0.171 0.000 1.063 12 Y CB 2.719 41.281 38.460 0.170 0.000 1.272 12 Y HN -1.074 7.531 8.280 0.231 -0.186 0.477 13 F N 3.724 123.816 119.950 0.237 0.000 2.120 13 F HA -0.439 nan 4.527 nan 0.000 0.300 13 F C 1.208 177.047 175.800 0.065 0.000 1.095 13 F CA 4.515 62.598 58.000 0.137 0.000 1.249 13 F CB 0.556 39.686 39.000 0.216 0.000 0.995 13 F HN 0.092 8.726 8.300 0.558 0.000 0.480 14 E N -2.227 118.053 120.200 0.134 0.000 2.401 14 E HA -0.269 nan 4.350 nan 0.000 0.199 14 E C 0.764 177.317 176.600 -0.078 0.000 1.023 14 E CA 2.471 58.868 56.400 -0.004 0.000 0.859 14 E CB -1.025 28.739 29.700 0.106 0.000 0.780 14 E HN 0.427 8.973 8.360 0.346 0.021 0.523 15 E N -2.499 117.685 120.200 -0.027 0.000 2.299 15 E HA -0.129 nan 4.350 nan 0.000 0.193 15 E C 0.334 176.812 176.600 -0.202 0.000 0.998 15 E CA 0.451 56.875 56.400 0.040 0.000 0.851 15 E CB 0.581 30.440 29.700 0.264 0.000 0.795 15 E HN -0.563 7.647 8.360 0.041 0.175 0.492 16 I N 1.660 121.864 120.570 -0.611 0.000 2.752 16 I HA -0.294 nan 4.170 nan 0.000 0.286 16 I C -0.265 175.532 176.117 -0.532 0.000 1.180 16 I CA 1.156 61.841 61.300 -1.024 0.000 1.404 16 I CB -0.294 37.188 38.000 -0.865 0.000 1.389 16 I HN -0.631 7.113 8.210 -0.534 0.146 0.549 17 D N 5.473 125.662 120.400 -0.352 0.000 2.491 17 D HA -0.017 nan 4.640 nan 0.000 0.228 17 D C -1.667 174.489 176.300 -0.241 0.000 1.183 17 D CA -0.439 53.465 54.000 -0.159 0.000 0.827 17 D CB -0.290 40.524 40.800 0.024 0.000 0.989 17 D HN 0.212 8.316 8.370 -0.443 0.000 0.494 18 N N -2.058 116.396 118.700 -0.411 0.000 3.185 18 N HA 0.010 nan 4.740 nan 0.000 0.238 18 N C -2.688 172.439 175.510 -0.637 0.000 1.451 18 N CA -0.476 52.162 53.050 -0.687 0.000 0.888 18 N CB 2.793 40.530 38.487 -1.250 0.000 1.413 18 N HN -0.698 7.406 8.380 -0.360 0.060 0.511 19 E N -3.515 116.397 120.200 -0.481 0.000 2.446 19 E HA 0.498 nan 4.350 nan 0.000 0.276 19 E C -2.281 174.313 176.600 -0.010 0.000 0.969 19 E CA -1.307 55.015 56.400 -0.130 0.000 0.800 19 E CB 3.570 33.240 29.700 -0.049 0.000 1.341 19 E HN 0.030 8.113 8.360 -0.461 0.000 0.460 20 L N -0.463 120.872 121.223 0.186 0.000 2.472 20 L HA 0.287 nan 4.340 nan 0.000 0.260 20 L C -1.970 175.070 176.870 0.283 0.000 0.963 20 L CA -1.286 53.711 54.840 0.263 0.000 0.829 20 L CB 4.136 46.449 42.059 0.423 0.000 1.348 20 L HN 0.104 8.357 8.230 0.240 0.121 0.408 21 D N 2.024 122.518 120.400 0.156 0.000 2.417 21 D HA -0.090 nan 4.640 nan 0.000 0.250 21 D C -1.244 174.993 176.300 -0.105 0.000 1.166 21 D CA 0.429 54.459 54.000 0.050 0.000 0.881 21 D CB 0.461 41.262 40.800 0.001 0.000 1.164 21 D HN -0.111 8.338 8.370 0.132 0.000 0.467 22 Y N 1.804 121.897 120.300 -0.345 0.000 2.632 22 Y HA -0.187 nan 4.550 nan 0.000 0.329 22 Y C -0.874 174.602 175.900 -0.706 0.000 1.174 22 Y CA 0.713 58.302 58.100 -0.851 0.000 1.469 22 Y CB 0.678 38.845 38.460 -0.488 0.000 1.242 22 Y HN -0.059 8.249 8.280 0.046 0.000 0.540 23 E N 8.543 127.720 120.200 -1.705 0.000 2.073 23 E HA 0.345 nan 4.350 nan 0.000 0.269 23 E C -1.204 174.595 176.600 -1.335 0.000 0.917 23 E CA -3.971 51.801 56.400 -1.046 0.000 0.757 23 E CB 0.412 29.790 29.700 -0.536 0.000 1.111 23 E HN 0.092 6.979 8.360 -2.455 0.000 0.410 24 P HA -0.154 nan 4.420 nan 0.000 0.226 24 P C 0.756 177.848 177.300 -0.347 0.000 1.146 24 P CA 1.970 64.736 63.100 -0.558 0.000 0.773 24 P CB 0.125 31.705 31.700 -0.200 0.000 0.772 25 E N -1.156 118.834 120.200 -0.350 0.000 2.347 25 E HA -0.113 nan 4.350 nan 0.000 0.196 25 E C 2.096 178.552 176.600 -0.241 0.000 1.008 25 E CA 2.224 58.489 56.400 -0.224 0.000 0.852 25 E CB -1.125 28.468 29.700 -0.177 0.000 0.783 25 E HN 0.605 8.638 8.360 -0.418 0.077 0.505 26 S N 0.506 115.973 115.700 -0.388 0.000 2.423 26 S HA -0.196 nan 4.470 nan 0.000 0.231 26 S C 1.715 176.102 174.600 -0.355 0.000 1.014 26 S CA 2.561 60.430 58.200 -0.552 0.000 0.965 26 S CB -0.074 62.569 63.200 -0.929 0.000 0.785 26 S HN 0.217 8.061 8.310 -0.511 0.159 0.495 27 A N 1.278 123.997 122.820 -0.170 0.000 2.125 27 A HA -0.103 nan 4.320 nan 0.000 0.219 27 A C 1.099 178.688 177.584 0.008 0.000 1.156 27 A CA 2.231 54.261 52.037 -0.012 0.000 0.671 27 A CB -0.600 18.413 19.000 0.022 0.000 0.794 27 A HN -0.322 7.684 8.150 -0.197 0.026 0.459 28 N N -3.980 114.703 118.700 -0.028 0.000 2.336 28 N HA 0.054 nan 4.740 nan 0.000 0.189 28 N C -0.622 174.903 175.510 0.025 0.000 1.113 28 N CA 0.143 53.192 53.050 -0.001 0.000 0.858 28 N CB 0.805 39.280 38.487 -0.021 0.000 0.970 28 N HN -0.469 7.701 8.380 -0.078 0.164 0.471 29 E N -0.126 120.102 120.200 0.046 0.000 2.319 29 E HA 0.051 nan 4.350 nan 0.000 0.268 29 E C -0.203 176.485 176.600 0.145 0.000 1.050 29 E CA -0.340 56.125 56.400 0.108 0.000 0.878 29 E CB 1.356 31.164 29.700 0.179 0.000 1.066 29 E HN -0.630 7.552 8.360 0.021 0.191 0.406 30 V N 2.828 122.814 119.914 0.120 0.000 2.506 30 V HA -0.127 nan 4.120 nan 0.000 0.296 30 V C 1.239 177.403 176.094 0.116 0.000 1.004 30 V CA 0.596 62.955 62.300 0.098 0.000 1.150 30 V CB -0.556 31.312 31.823 0.075 0.000 0.911 30 V HN 0.405 8.658 8.190 0.104 0.000 0.476 31 A N 6.481 129.364 122.820 0.104 0.000 2.072 31 A HA 0.041 nan 4.320 nan 0.000 0.216 31 A C -0.593 177.028 177.584 0.062 0.000 1.156 31 A CA 2.210 54.305 52.037 0.098 0.000 0.701 31 A CB 0.308 19.370 19.000 0.103 0.000 0.816 31 A HN 0.448 8.652 8.150 0.091 0.000 0.458 32 K N -3.282 117.151 120.400 0.056 0.000 2.498 32 K HA 0.186 nan 4.320 nan 0.000 0.254 32 K C -1.655 174.978 176.600 0.055 0.000 0.933 32 K CA -0.613 55.705 56.287 0.053 0.000 0.806 32 K CB 1.560 34.084 32.500 0.040 0.000 1.301 32 K HN -0.351 7.933 8.250 0.056 0.000 0.432 33 K N -0.159 120.288 120.400 0.079 0.000 2.380 33 K HA 0.125 nan 4.320 nan 0.000 0.198 33 K C -0.325 176.327 176.600 0.088 0.000 1.070 33 K CA 0.536 56.877 56.287 0.090 0.000 1.040 33 K CB 0.273 32.847 32.500 0.125 0.000 0.903 33 K HN 0.414 8.723 8.250 0.097 0.000 0.549 34 L N 1.444 122.710 121.223 0.072 0.000 2.362 34 L HA 0.470 nan 4.340 nan 0.000 0.271 34 L C -2.440 174.391 176.870 -0.065 0.000 1.002 34 L CA -3.549 51.307 54.840 0.027 0.000 0.818 34 L CB 2.314 44.387 42.059 0.023 0.000 1.298 34 L HN -0.642 7.632 8.230 0.072 0.000 0.420 35 P HA 0.014 nan 4.420 nan 0.000 0.271 35 P C -1.590 175.532 177.300 -0.296 0.000 1.216 35 P CA 0.329 63.213 63.100 -0.361 0.000 0.771 35 P CB 0.352 31.795 31.700 -0.428 0.000 0.864 36 Y N -3.025 117.232 120.300 -0.072 0.000 3.825 36 Y HA -0.444 nan 4.550 nan 0.000 0.221 36 Y C 1.055 176.883 175.900 -0.120 0.000 1.195 36 Y CA 0.534 58.583 58.100 -0.084 0.000 1.699 36 Y CB -3.456 34.941 38.460 -0.105 0.000 1.531 36 Y HN 0.293 8.242 8.280 -0.552 0.000 0.640 37 Q N 0.372 120.160 119.800 -0.021 0.000 2.170 37 Q HA -0.395 nan 4.340 nan 0.000 0.203 37 Q C 1.640 177.631 176.000 -0.015 0.000 0.976 37 Q CA 3.755 59.532 55.803 -0.043 0.000 0.858 37 Q CB -0.272 28.472 28.738 0.011 0.000 0.907 37 Q HN -0.584 7.625 8.270 -0.054 0.029 0.433 38 G N -2.614 106.196 108.800 0.017 0.000 2.422 38 G HA2 -0.330 nan 3.960 nan 0.000 0.218 38 G HA3 -0.330 nan 3.960 nan 0.000 0.218 38 G C 1.551 176.448 174.900 -0.005 0.000 1.146 38 G CA 1.755 46.869 45.100 0.024 0.000 0.769 38 G HN 0.547 8.834 8.290 0.024 0.018 0.547 39 Q N 1.341 121.151 119.800 0.017 0.000 2.123 39 Q HA -0.133 nan 4.340 nan 0.000 0.199 39 Q C 2.475 178.397 176.000 -0.130 0.000 0.966 39 Q CA 2.091 57.891 55.803 -0.004 0.000 0.845 39 Q CB -0.490 28.315 28.738 0.112 0.000 0.907 39 Q HN -0.657 7.554 8.270 0.057 0.093 0.439 40 L N 0.998 122.135 121.223 -0.143 0.000 2.012 40 L HA -0.368 nan 4.340 nan 0.000 0.210 40 L C 1.333 178.102 176.870 -0.169 0.000 1.073 40 L CA 3.146 57.844 54.840 -0.238 0.000 0.748 40 L CB -0.386 41.424 42.059 -0.415 0.000 0.891 40 L HN -0.265 7.901 8.230 -0.107 0.000 0.431 41 K N -1.007 119.337 120.400 -0.094 0.000 2.020 41 K HA -0.385 nan 4.320 nan 0.000 0.212 41 K C 2.442 178.995 176.600 -0.079 0.000 1.050 41 K CA 3.630 59.900 56.287 -0.028 0.000 0.929 41 K CB -0.191 32.316 32.500 0.011 0.000 0.714 41 K HN -0.289 7.912 8.250 -0.082 0.000 0.443 42 L N -2.016 119.104 121.223 -0.172 0.000 2.093 42 L HA -0.313 nan 4.340 nan 0.000 0.208 42 L C 2.412 179.127 176.870 -0.257 0.000 1.085 42 L CA 2.704 57.393 54.840 -0.251 0.000 0.755 42 L CB -0.135 41.625 42.059 -0.498 0.000 0.904 42 L HN -0.627 7.496 8.230 -0.179 0.000 0.435 43 L N -0.526 120.501 121.223 -0.327 0.000 2.017 43 L HA -0.323 nan 4.340 nan 0.000 0.208 43 L C 1.680 178.571 176.870 0.034 0.000 1.073 43 L CA 3.232 58.047 54.840 -0.042 0.000 0.745 43 L CB -0.484 41.536 42.059 -0.066 0.000 0.894 43 L HN -0.051 7.947 8.230 -0.386 0.000 0.432 44 L N -2.684 118.528 121.223 -0.019 0.000 2.017 44 L HA -0.419 nan 4.340 nan 0.000 0.208 44 L C 2.230 179.158 176.870 0.096 0.000 1.073 44 L CA 3.389 58.240 54.840 0.019 0.000 0.745 44 L CB -0.805 41.239 42.059 -0.025 0.000 0.894 44 L HN 0.036 8.222 8.230 -0.072 0.000 0.432 45 G N -2.336 106.511 108.800 0.079 0.000 2.418 45 G HA2 -0.369 nan 3.960 nan 0.000 0.217 45 G HA3 -0.369 nan 3.960 nan 0.000 0.217 45 G C 1.095 176.181 174.900 0.309 0.000 1.158 45 G CA 2.027 47.219 45.100 0.153 0.000 0.771 45 G HN -0.339 7.964 8.290 0.023 0.000 0.545 46 E N 2.365 122.742 120.200 0.295 0.000 2.152 46 E HA -0.260 nan 4.350 nan 0.000 0.192 46 E C 2.558 179.437 176.600 0.465 0.000 0.983 46 E CA 2.495 59.149 56.400 0.424 0.000 0.818 46 E CB -0.234 29.742 29.700 0.460 0.000 0.758 46 E HN -0.331 8.158 8.360 0.215 0.000 0.467 47 L N -0.119 121.332 121.223 0.380 0.000 2.027 47 L HA -0.327 nan 4.340 nan 0.000 0.206 47 L C 1.769 178.859 176.870 0.367 0.000 1.074 47 L CA 2.954 58.004 54.840 0.350 0.000 0.745 47 L CB -0.043 42.119 42.059 0.171 0.000 0.898 47 L HN 0.026 8.439 8.230 0.305 0.000 0.433 48 F N 0.648 120.716 119.950 0.197 0.000 2.069 48 F HA -0.475 nan 4.527 nan 0.000 0.298 48 F C 1.485 177.438 175.800 0.255 0.000 1.113 48 F CA 4.010 62.120 58.000 0.183 0.000 1.214 48 F CB 0.050 39.129 39.000 0.132 0.000 0.978 48 F HN -0.125 8.443 8.300 0.447 0.000 0.474 49 F N -0.354 119.716 119.950 0.201 0.000 2.069 49 F HA -0.406 nan 4.527 nan 0.000 0.298 49 F C 1.488 177.300 175.800 0.019 0.000 1.113 49 F CA 3.187 61.229 58.000 0.070 0.000 1.214 49 F CB -0.074 39.007 39.000 0.134 0.000 0.978 49 F HN 0.113 8.789 8.300 0.628 0.000 0.474 50 L N -2.277 118.888 121.223 -0.096 0.000 2.083 50 L HA -0.406 nan 4.340 nan 0.000 0.209 50 L C 2.494 179.322 176.870 -0.070 0.000 1.083 50 L CA 2.225 56.895 54.840 -0.284 0.000 0.752 50 L CB -1.575 40.421 42.059 -0.105 0.000 0.899 50 L HN 0.085 8.362 8.230 0.256 0.106 0.433 51 S N -0.717 115.121 115.700 0.229 0.000 2.399 51 S HA -0.347 nan 4.470 nan 0.000 0.231 51 S C 1.812 176.535 174.600 0.204 0.000 1.022 51 S CA 4.148 62.580 58.200 0.387 0.000 0.983 51 S CB -0.462 62.948 63.200 0.349 0.000 0.803 51 S HN 0.256 8.721 8.310 0.258 0.000 0.480 52 K N 2.585 122.938 120.400 -0.077 0.000 2.026 52 K HA -0.283 nan 4.320 nan 0.000 0.208 52 K C 2.081 178.548 176.600 -0.221 0.000 1.048 52 K CA 3.217 59.407 56.287 -0.162 0.000 0.929 52 K CB -0.189 32.130 32.500 -0.302 0.000 0.713 52 K HN -0.595 7.465 8.250 -0.156 0.096 0.439 53 L N -2.167 118.841 121.223 -0.359 0.000 2.083 53 L HA -0.419 nan 4.340 nan 0.000 0.209 53 L C 1.931 178.686 176.870 -0.192 0.000 1.083 53 L CA 2.855 57.480 54.840 -0.359 0.000 0.752 53 L CB -0.591 41.165 42.059 -0.505 0.000 0.899 53 L HN -0.511 7.455 8.230 -0.441 0.000 0.433 54 Q N -0.644 119.060 119.800 -0.159 0.000 2.050 54 Q HA -0.356 nan 4.340 nan 0.000 0.202 54 Q C 2.822 178.748 176.000 -0.123 0.000 0.980 54 Q CA 3.464 59.174 55.803 -0.155 0.000 0.840 54 Q CB -0.313 28.339 28.738 -0.144 0.000 0.898 54 Q HN -0.123 8.046 8.270 -0.154 0.009 0.424 55 R N -0.944 119.555 120.500 -0.003 0.000 2.127 55 R HA -0.265 nan 4.340 nan 0.000 0.238 55 R C 1.923 178.319 176.300 0.159 0.000 1.134 55 R CA 2.568 58.743 56.100 0.124 0.000 0.975 55 R CB -0.038 30.452 30.300 0.317 0.000 0.865 55 R HN -0.353 7.876 8.270 0.057 0.075 0.447 56 H N -4.527 114.508 119.070 -0.060 0.000 2.539 56 H HA 0.072 nan 4.556 nan 0.000 0.269 56 H C -0.153 175.133 175.328 -0.070 0.000 0.980 56 H CA -0.612 55.404 56.048 -0.054 0.000 1.152 56 H CB 0.242 29.973 29.762 -0.053 0.000 1.407 56 H HN -0.547 7.743 8.280 0.228 0.127 0.564 57 G N 0.505 109.316 108.800 0.019 0.000 2.249 57 G HA2 -0.348 nan 3.960 nan 0.000 0.273 57 G HA3 -0.348 nan 3.960 nan 0.000 0.273 57 G C 0.112 174.984 174.900 -0.048 0.000 1.036 57 G CA 1.020 46.097 45.100 -0.038 0.000 0.824 57 G HN 0.186 8.258 8.290 0.005 0.221 0.504 58 I N -7.014 113.516 120.570 -0.066 0.000 4.154 58 I HA 0.213 nan 4.170 nan 0.000 0.334 58 I C -0.130 175.900 176.117 -0.145 0.000 1.371 58 I CA -0.709 60.540 61.300 -0.085 0.000 1.110 58 I CB 0.806 38.771 38.000 -0.059 0.000 1.085 58 I HN 0.108 8.275 8.210 -0.071 0.000 0.398 59 L N 1.340 122.450 121.223 -0.188 0.000 2.102 59 L HA -0.055 nan 4.340 nan 0.000 0.202 59 L C -0.468 176.268 176.870 -0.223 0.000 1.076 59 L CA 2.037 56.719 54.840 -0.264 0.000 0.761 59 L CB 0.691 42.542 42.059 -0.347 0.000 0.921 59 L HN -0.481 7.649 8.230 -0.166 0.000 0.444 60 D N -2.354 117.946 120.400 -0.167 0.000 2.487 60 D HA -0.229 nan 4.640 nan 0.000 0.243 60 D C 0.922 177.153 176.300 -0.115 0.000 1.154 60 D CA 2.004 55.927 54.000 -0.129 0.000 0.876 60 D CB -0.092 40.650 40.800 -0.097 0.000 1.161 60 D HN -0.614 7.662 8.370 -0.156 0.000 0.478 61 G N 5.516 114.250 108.800 -0.111 0.000 2.176 61 G HA2 -0.460 nan 3.960 nan 0.000 0.253 61 G HA3 -0.460 nan 3.960 nan 0.000 0.253 61 G C -1.381 173.452 174.900 -0.111 0.000 0.979 61 G CA 0.120 45.163 45.100 -0.096 0.000 0.641 61 G HN 0.862 8.975 8.290 -0.118 0.106 0.530 62 A N 0.408 123.139 122.820 -0.149 0.000 2.264 62 A HA 0.651 nan 4.320 nan 0.000 0.304 62 A C -1.483 175.991 177.584 -0.184 0.000 1.100 62 A CA -1.179 50.764 52.037 -0.157 0.000 0.839 62 A CB 1.689 20.580 19.000 -0.182 0.000 1.121 62 A HN -0.448 7.542 8.150 -0.174 0.056 0.496 63 T N 1.481 115.943 114.554 -0.152 0.000 2.758 63 T HA 0.450 nan 4.350 nan 0.000 0.285 63 T C -1.027 173.571 174.700 -0.170 0.000 0.981 63 T CA -0.141 61.868 62.100 -0.151 0.000 0.965 63 T CB 0.906 69.729 68.868 -0.074 0.000 0.927 63 T HN 0.215 8.383 8.240 -0.121 0.000 0.448 64 V N 8.519 128.269 119.914 -0.273 0.000 2.385 64 V HA 0.487 nan 4.120 nan 0.000 0.269 64 V C -1.261 174.842 176.094 0.015 0.000 1.043 64 V CA -0.101 62.071 62.300 -0.213 0.000 0.906 64 V CB 0.342 31.843 31.823 -0.537 0.000 0.995 64 V HN 0.901 8.858 8.190 -0.389 0.000 0.467 65 V N 8.695 128.654 119.914 0.075 0.000 2.333 65 V HA 0.452 nan 4.120 nan 0.000 0.274 65 V C -1.673 174.562 176.094 0.235 0.000 1.028 65 V CA -1.362 61.028 62.300 0.150 0.000 0.851 65 V CB 0.176 32.058 31.823 0.098 0.000 1.000 65 V HN 0.856 9.072 8.190 0.044 0.000 0.456 66 Y N 9.578 129.987 120.300 0.183 0.000 2.334 66 Y HA 0.598 nan 4.550 nan 0.000 0.336 66 Y C -2.310 173.703 175.900 0.188 0.000 0.960 66 Y CA -2.847 55.379 58.100 0.211 0.000 1.164 66 Y CB 1.731 40.357 38.460 0.277 0.000 1.155 66 Y HN 0.422 8.945 8.280 0.404 0.000 0.478 67 I N 6.871 127.719 120.570 0.463 0.000 2.377 67 I HA 0.370 nan 4.170 nan 0.000 0.293 67 I C -0.662 175.694 176.117 0.398 0.000 0.987 67 I CA -0.542 60.969 61.300 0.353 0.000 1.185 67 I CB 1.475 39.617 38.000 0.237 0.000 1.341 67 I HN 0.692 9.096 8.210 0.325 0.000 0.455 68 G N 6.455 115.446 108.800 0.318 0.000 2.204 68 G HA2 -0.383 nan 3.960 nan 0.000 0.244 68 G HA3 -0.383 nan 3.960 nan 0.000 0.244 68 G C -0.242 174.839 174.900 0.301 0.000 1.062 68 G CA 0.359 45.625 45.100 0.277 0.000 0.798 68 G HN 0.665 9.110 8.290 0.259 0.000 0.496 69 S N -0.505 115.296 115.700 0.169 0.000 2.501 69 S HA -0.071 nan 4.470 nan 0.000 0.220 69 S C 0.235 174.774 174.600 -0.102 0.000 0.997 69 S CA 0.446 58.537 58.200 -0.181 0.000 0.919 69 S CB 0.531 63.582 63.200 -0.248 0.000 0.778 69 S HN -0.617 7.819 8.310 0.210 0.000 0.523 70 A N 2.748 125.466 122.820 -0.170 0.000 2.316 70 A HA 0.358 nan 4.320 nan 0.000 0.284 70 A C -1.700 175.830 177.584 -0.090 0.000 1.115 70 A CA -2.340 49.523 52.037 -0.291 0.000 0.812 70 A CB 0.337 18.952 19.000 -0.642 0.000 1.064 70 A HN -0.405 7.990 8.150 -0.136 -0.327 0.489 71 P HA -0.124 nan 4.420 nan 0.000 0.217 71 P C 0.259 177.557 177.300 -0.004 0.000 1.150 71 P CA 0.701 63.775 63.100 -0.043 0.000 0.832 71 P CB 0.666 32.373 31.700 0.011 0.000 0.787 72 G N -3.733 105.065 108.800 -0.003 0.000 2.147 72 G HA2 -0.398 nan 3.960 nan 0.000 0.244 72 G HA3 -0.398 nan 3.960 nan 0.000 0.244 72 G C 0.888 175.699 174.900 -0.149 0.000 1.005 72 G CA 0.174 45.205 45.100 -0.114 0.000 0.713 72 G HN -0.017 8.295 8.290 0.037 0.000 0.515 73 T N 3.257 117.807 114.554 -0.007 0.000 2.653 73 T HA -0.319 nan 4.350 nan 0.000 0.268 73 T C 1.722 176.490 174.700 0.113 0.000 1.035 73 T CA 4.240 66.371 62.100 0.052 0.000 1.154 73 T CB -0.722 68.185 68.868 0.065 0.000 0.862 73 T HN 0.199 8.424 8.240 0.038 0.038 0.441 74 H N 0.894 120.037 119.070 0.121 0.000 2.491 74 H HA -0.170 nan 4.556 nan 0.000 0.290 74 H C 1.641 176.969 175.328 0.000 0.000 1.050 74 H CA 2.878 58.982 56.048 0.094 0.000 1.309 74 H CB -0.884 28.912 29.762 0.056 0.000 1.392 74 H HN -0.004 8.737 8.280 0.206 -0.337 0.554 75 I N 0.149 120.227 120.570 -0.820 0.000 2.454 75 I HA -0.469 nan 4.170 nan 0.000 0.254 75 I C 1.425 177.265 176.117 -0.461 0.000 1.156 75 I CA 2.983 63.908 61.300 -0.624 0.000 1.433 75 I CB -0.722 36.903 38.000 -0.625 0.000 1.082 75 I HN 0.158 7.695 8.210 -0.843 0.168 0.432 76 R N 0.193 120.513 120.500 -0.300 0.000 2.081 76 R HA -0.341 nan 4.340 nan 0.000 0.235 76 R C 1.538 177.634 176.300 -0.338 0.000 1.131 76 R CA 2.752 58.710 56.100 -0.236 0.000 0.960 76 R CB -0.986 29.344 30.300 0.049 0.000 0.856 76 R HN -0.496 7.626 8.270 -0.210 0.022 0.436 77 Y N -0.935 118.942 120.300 -0.704 0.000 2.145 77 Y HA -0.292 nan 4.550 nan 0.000 0.286 77 Y C 1.658 177.374 175.900 -0.307 0.000 1.145 77 Y CA 3.378 60.989 58.100 -0.814 0.000 1.148 77 Y CB -0.240 37.550 38.460 -1.116 0.000 0.981 77 Y HN -0.852 7.146 8.280 -0.470 0.000 0.507 78 L N -1.683 119.555 121.223 0.025 0.000 1.989 78 L HA -0.539 nan 4.340 nan 0.000 0.211 78 L C 2.077 179.078 176.870 0.218 0.000 1.071 78 L CA 3.275 58.240 54.840 0.209 0.000 0.749 78 L CB -0.515 41.712 42.059 0.281 0.000 0.890 78 L HN -0.570 7.658 8.230 -0.003 0.000 0.431 79 R N -1.200 119.189 120.500 -0.186 0.000 2.083 79 R HA -0.454 nan 4.340 nan 0.000 0.237 79 R C 2.104 178.461 176.300 0.096 0.000 1.137 79 R CA 3.271 59.292 56.100 -0.132 0.000 0.951 79 R CB -0.713 29.174 30.300 -0.687 0.000 0.851 79 R HN 0.036 8.044 8.270 -0.437 0.000 0.434 80 D N -1.250 119.089 120.400 -0.102 0.000 2.097 80 D HA -0.247 nan 4.640 nan 0.000 0.195 80 D C 2.250 178.532 176.300 -0.031 0.000 0.989 80 D CA 3.412 57.354 54.000 -0.097 0.000 0.827 80 D CB -0.580 40.074 40.800 -0.244 0.000 0.966 80 D HN -0.233 8.007 8.370 -0.217 0.000 0.456 81 H N 1.563 120.481 119.070 -0.253 0.000 2.319 81 H HA -0.341 nan 4.556 nan 0.000 0.299 81 H C 2.448 177.664 175.328 -0.187 0.000 1.092 81 H CA 3.962 59.830 56.048 -0.300 0.000 1.302 81 H CB 0.225 29.723 29.762 -0.440 0.000 1.373 81 H HN -0.003 8.179 8.280 -0.164 0.000 0.497 82 F N -3.010 117.059 119.950 0.199 0.000 2.416 82 F HA -0.276 nan 4.527 nan 0.000 0.296 82 F C 1.455 177.324 175.800 0.117 0.000 1.099 82 F CA 3.198 61.286 58.000 0.147 0.000 1.427 82 F CB -0.211 38.951 39.000 0.271 0.000 1.079 82 F HN -0.573 7.964 8.300 0.395 0.000 0.536 83 Y N 0.765 121.192 120.300 0.212 0.000 2.181 83 Y HA -0.555 nan 4.550 nan 0.000 0.288 83 Y C 2.151 178.072 175.900 0.035 0.000 1.146 83 Y CA 4.272 62.448 58.100 0.126 0.000 1.164 83 Y CB 0.036 38.560 38.460 0.107 0.000 0.982 83 Y HN 0.060 8.631 8.280 0.485 0.000 0.515 84 N N -0.175 118.604 118.700 0.132 0.000 2.459 84 N HA -0.231 nan 4.740 nan 0.000 0.181 84 N C 0.888 176.346 175.510 -0.087 0.000 1.046 84 N CA 2.337 55.391 53.050 0.006 0.000 0.904 84 N CB -0.050 38.449 38.487 0.021 0.000 0.964 84 N HN -0.036 8.455 8.380 0.186 0.000 0.444 85 L N -2.963 118.196 121.223 -0.108 0.000 2.558 85 L HA 0.044 nan 4.340 nan 0.000 0.225 85 L C 0.412 177.243 176.870 -0.066 0.000 1.128 85 L CA 0.462 55.241 54.840 -0.102 0.000 0.868 85 L CB -0.172 41.813 42.059 -0.124 0.000 1.006 85 L HN -0.791 7.223 8.230 -0.081 0.168 0.454 86 G N -2.338 106.410 108.800 -0.088 0.000 2.157 86 G HA2 -0.377 nan 3.960 nan 0.000 0.239 86 G HA3 -0.377 nan 3.960 nan 0.000 0.239 86 G C -0.227 174.635 174.900 -0.063 0.000 0.982 86 G CA 0.033 45.069 45.100 -0.107 0.000 0.650 86 G HN -0.655 7.413 8.290 -0.100 0.162 0.527 87 V N 1.260 121.176 119.914 0.004 0.000 2.614 87 V HA -0.074 nan 4.120 nan 0.000 0.291 87 V C 0.114 176.212 176.094 0.007 0.000 1.049 87 V CA 0.272 62.583 62.300 0.017 0.000 1.038 87 V CB 0.391 32.272 31.823 0.098 0.000 0.980 87 V HN -0.463 7.709 8.190 0.046 0.045 0.481 88 I N 6.736 127.288 120.570 -0.031 0.000 2.291 88 I HA 0.221 nan 4.170 nan 0.000 0.290 88 I C -1.257 174.828 176.117 -0.052 0.000 1.050 88 I CA -1.287 59.999 61.300 -0.023 0.000 1.245 88 I CB -1.002 36.975 38.000 -0.038 0.000 1.405 88 I HN -0.327 8.220 8.210 -0.050 -0.367 0.478 89 I N 6.601 127.154 120.570 -0.027 0.000 2.686 89 I HA 0.355 nan 4.170 nan 0.000 0.295 89 I C -1.588 174.467 176.117 -0.104 0.000 1.114 89 I CA -1.519 59.681 61.300 -0.167 0.000 1.038 89 I CB 3.617 41.410 38.000 -0.345 0.000 1.238 89 I HN 0.179 8.431 8.210 0.069 0.000 0.420 90 K N 4.081 124.383 120.400 -0.164 0.000 2.206 90 K HA 0.446 nan 4.320 nan 0.000 0.264 90 K C -1.526 175.010 176.600 -0.108 0.000 0.967 90 K CA -1.209 55.060 56.287 -0.030 0.000 0.844 90 K CB 2.125 34.616 32.500 -0.014 0.000 1.099 90 K HN -0.015 8.100 8.250 -0.225 0.000 0.441 91 W N 2.425 123.742 121.300 0.027 0.000 2.520 91 W HA 0.566 nan 4.660 nan 0.000 0.323 91 W C -1.104 175.424 176.519 0.015 0.000 1.062 91 W CA -1.346 56.019 57.345 0.034 0.000 1.215 91 W CB 2.681 32.157 29.460 0.027 0.000 1.340 91 W HN 1.064 9.362 8.180 0.373 0.106 0.516 92 M N 3.525 123.276 119.600 0.251 0.000 2.035 92 M HA 0.631 nan 4.480 nan 0.000 0.286 92 M C -2.371 174.034 176.300 0.175 0.000 0.907 92 M CA -0.529 54.865 55.300 0.156 0.000 0.935 92 M CB 2.194 34.862 32.600 0.114 0.000 1.557 92 M HN 0.813 9.270 8.290 0.277 0.000 0.426 93 L N 6.253 127.518 121.223 0.070 0.000 2.265 93 L HA 0.680 nan 4.340 nan 0.000 0.289 93 L C -1.570 175.338 176.870 0.063 0.000 1.033 93 L CA -0.676 54.177 54.840 0.022 0.000 0.814 93 L CB 0.519 42.401 42.059 -0.296 0.000 1.203 93 L HN 1.007 9.236 8.230 -0.002 0.000 0.423 94 I N 3.164 123.851 120.570 0.196 0.000 2.418 94 I HA 0.566 nan 4.170 nan 0.000 0.287 94 I C -2.150 174.058 176.117 0.153 0.000 1.008 94 I CA -0.831 60.578 61.300 0.181 0.000 1.104 94 I CB 1.579 39.704 38.000 0.209 0.000 1.264 94 I HN 0.683 9.039 8.210 0.243 0.000 0.438 95 D N 7.525 127.943 120.400 0.030 0.000 2.663 95 D HA 0.119 nan 4.640 nan 0.000 0.233 95 D C -0.256 175.791 176.300 -0.421 0.000 1.240 95 D CA -0.295 53.623 54.000 -0.136 0.000 0.774 95 D CB 4.472 45.165 40.800 -0.179 0.000 1.443 95 D HN -0.046 8.331 8.370 0.012 0.000 0.441 96 G N 0.629 108.904 108.800 -0.876 0.000 2.511 96 G HA2 -0.069 nan 3.960 nan 0.000 0.217 96 G HA3 -0.069 nan 3.960 nan 0.000 0.217 96 G C -0.295 174.216 174.900 -0.649 0.000 1.133 96 G CA 0.404 44.623 45.100 -1.470 0.000 0.792 96 G HN 0.399 8.253 8.290 -0.727 0.000 0.539 97 R N -1.709 118.571 120.500 -0.367 0.000 2.549 97 R HA 0.050 nan 4.340 nan 0.000 0.259 97 R C -0.865 175.324 176.300 -0.185 0.000 1.095 97 R CA -0.953 55.075 56.100 -0.120 0.000 1.148 97 R CB 1.307 31.573 30.300 -0.057 0.000 1.181 97 R HN -0.379 8.007 8.270 -0.369 -0.337 0.571 98 H N -0.865 118.078 119.070 -0.211 0.000 2.487 98 H HA 0.174 nan 4.556 nan 0.000 0.333 98 H C -0.550 174.642 175.328 -0.228 0.000 1.114 98 H CA -0.342 55.599 56.048 -0.179 0.000 1.310 98 H CB 1.023 30.740 29.762 -0.075 0.000 1.462 98 H HN -0.018 8.341 8.280 0.132 0.000 0.516 99 H N 0.752 119.793 119.070 -0.049 0.000 2.547 99 H HA 0.030 nan 4.556 nan 0.000 0.362 99 H C -0.405 174.910 175.328 -0.022 0.000 1.181 99 H CA 0.587 56.601 56.048 -0.057 0.000 1.376 99 H CB 1.003 30.701 29.762 -0.107 0.000 1.488 99 H HN 0.080 8.368 8.280 0.012 0.000 0.583 100 D N 1.151 121.605 120.400 0.091 0.000 2.450 100 D HA 0.030 nan 4.640 nan 0.000 0.247 100 D C -0.166 176.152 176.300 0.031 0.000 1.162 100 D CA -1.323 52.701 54.000 0.040 0.000 0.879 100 D CB 0.549 41.359 40.800 0.016 0.000 1.163 100 D HN -0.079 8.250 8.370 0.093 0.097 0.472 101 P HA -0.099 nan 4.420 nan 0.000 0.226 101 P C 0.947 178.238 177.300 -0.015 0.000 1.146 101 P CA 1.601 64.705 63.100 0.007 0.000 0.773 101 P CB -0.166 31.538 31.700 0.007 0.000 0.772 102 I N -5.866 114.692 120.570 -0.021 0.000 2.916 102 I HA -0.303 nan 4.170 nan 0.000 0.267 102 I C 0.590 176.681 176.117 -0.044 0.000 1.263 102 I CA 2.683 63.967 61.300 -0.027 0.000 1.471 102 I CB -0.664 37.328 38.000 -0.013 0.000 1.089 102 I HN -0.584 7.803 8.210 -0.015 -0.186 0.468 103 L N -1.728 119.460 121.223 -0.059 0.000 2.509 103 L HA -0.149 nan 4.340 nan 0.000 0.222 103 L C -0.059 176.750 176.870 -0.103 0.000 1.123 103 L CA 0.226 55.000 54.840 -0.111 0.000 0.856 103 L CB -0.747 41.223 42.059 -0.148 0.000 0.985 103 L HN -0.285 7.868 8.230 -0.040 0.054 0.456 104 N N 0.244 118.905 118.700 -0.066 0.000 2.424 104 N HA -0.107 nan 4.740 nan 0.000 0.257 104 N C 0.207 175.685 175.510 -0.053 0.000 1.250 104 N CA 1.027 54.045 53.050 -0.053 0.000 0.946 104 N CB 0.661 39.131 38.487 -0.029 0.000 1.175 104 N HN -0.647 7.531 8.380 -0.049 0.172 0.477 105 G N -2.240 106.534 108.800 -0.042 0.000 2.153 105 G HA2 -0.293 nan 3.960 nan 0.000 0.252 105 G HA3 -0.293 nan 3.960 nan 0.000 0.252 105 G C -0.774 174.098 174.900 -0.047 0.000 0.994 105 G CA 0.124 45.202 45.100 -0.037 0.000 0.698 105 G HN 0.284 8.552 8.290 -0.037 0.000 0.521 106 L N -1.176 120.014 121.223 -0.056 0.000 2.305 106 L HA 0.228 nan 4.340 nan 0.000 0.284 106 L C 0.938 177.796 176.870 -0.019 0.000 1.013 106 L CA -1.547 53.255 54.840 -0.063 0.000 0.819 106 L CB 0.569 42.561 42.059 -0.112 0.000 1.227 106 L HN -0.463 7.699 8.230 -0.059 0.032 0.417 107 R N 3.701 124.205 120.500 0.007 0.000 2.152 107 R HA -0.299 nan 4.340 nan 0.000 0.232 107 R C 0.117 176.453 176.300 0.061 0.000 1.117 107 R CA 2.575 58.695 56.100 0.033 0.000 0.981 107 R CB -0.425 29.902 30.300 0.044 0.000 0.870 107 R HN 0.734 9.004 8.270 -0.000 0.000 0.451 108 D N -4.855 115.599 120.400 0.090 0.000 2.347 108 D HA -0.038 nan 4.640 nan 0.000 0.213 108 D C -1.420 174.999 176.300 0.198 0.000 0.985 108 D CA 0.645 54.741 54.000 0.160 0.000 0.879 108 D CB -0.017 40.932 40.800 0.248 0.000 0.919 108 D HN -0.156 8.203 8.370 0.064 0.049 0.526 109 V N -2.470 117.509 119.914 0.108 0.000 2.444 109 V HA 0.561 nan 4.120 nan 0.000 0.294 109 V C -1.352 174.755 176.094 0.021 0.000 1.022 109 V CA -1.840 60.516 62.300 0.093 0.000 0.850 109 V CB 1.500 33.313 31.823 -0.017 0.000 0.992 109 V HN -0.658 7.408 8.190 0.049 0.153 0.426 110 T N 10.684 125.260 114.554 0.037 0.000 2.771 110 T HA 0.450 nan 4.350 nan 0.000 0.281 110 T C -1.442 173.223 174.700 -0.058 0.000 0.982 110 T CA -0.621 61.478 62.100 -0.001 0.000 0.978 110 T CB 0.887 69.774 68.868 0.032 0.000 0.930 110 T HN 0.580 8.874 8.240 0.090 0.000 0.447 111 L N 5.721 126.878 121.223 -0.109 0.000 2.295 111 L HA 0.847 nan 4.340 nan 0.000 0.285 111 L C -0.864 175.955 176.870 -0.086 0.000 1.035 111 L CA -0.793 53.922 54.840 -0.208 0.000 0.806 111 L CB 1.041 42.943 42.059 -0.261 0.000 1.214 111 L HN 0.320 8.502 8.230 -0.080 0.000 0.426 112 V N 4.670 124.563 119.914 -0.035 0.000 2.540 112 V HA 0.279 nan 4.120 nan 0.000 0.302 112 V C -0.838 175.236 176.094 -0.034 0.000 1.035 112 V CA -1.042 61.258 62.300 -0.000 0.000 0.873 112 V CB 3.229 35.097 31.823 0.076 0.000 0.992 112 V HN 0.911 9.081 8.190 -0.035 0.000 0.428 113 T N 9.031 123.512 114.554 -0.121 0.000 2.929 113 T HA 0.443 nan 4.350 nan 0.000 0.331 113 T C -1.379 173.169 174.700 -0.253 0.000 1.120 113 T CA -0.174 61.789 62.100 -0.230 0.000 0.973 113 T CB -0.911 67.784 68.868 -0.289 0.000 1.036 113 T HN 0.290 8.470 8.240 -0.100 0.000 0.502 114 R N 3.914 124.213 120.500 -0.335 0.000 2.644 114 R HA 0.156 nan 4.340 nan 0.000 0.257 114 R C -1.930 174.142 176.300 -0.381 0.000 1.082 114 R CA -1.174 54.691 56.100 -0.391 0.000 0.927 114 R CB 3.982 33.953 30.300 -0.548 0.000 1.258 114 R HN -0.131 7.842 8.270 -0.323 0.103 0.459 115 F N 1.800 121.654 119.950 -0.161 0.000 2.411 115 F HA 0.050 nan 4.527 nan 0.000 0.355 115 F C -0.051 175.678 175.800 -0.118 0.000 1.117 115 F CA -0.732 57.214 58.000 -0.091 0.000 1.139 115 F CB 0.737 39.703 39.000 -0.056 0.000 1.120 115 F HN 0.051 8.289 8.300 -0.104 0.000 0.493 116 V N 1.553 121.557 119.914 0.151 0.000 2.686 116 V HA 0.107 nan 4.120 nan 0.000 0.295 116 V C -1.071 175.123 176.094 0.166 0.000 1.055 116 V CA -0.839 61.564 62.300 0.171 0.000 1.050 116 V CB 0.496 32.492 31.823 0.288 0.000 0.984 116 V HN 0.234 8.549 8.190 0.208 0.000 0.482 117 D N 3.082 123.593 120.400 0.184 0.000 2.566 117 D HA 0.081 nan 4.640 nan 0.000 0.254 117 D C -0.055 176.327 176.300 0.137 0.000 1.090 117 D CA -1.766 52.310 54.000 0.126 0.000 1.034 117 D CB 2.091 42.945 40.800 0.091 0.000 1.434 117 D HN -0.553 7.976 8.370 0.266 0.000 0.509 118 E N -0.533 119.719 120.200 0.086 0.000 2.097 118 E HA -0.427 nan 4.350 nan 0.000 0.196 118 E C 1.824 178.463 176.600 0.065 0.000 1.000 118 E CA 3.970 60.408 56.400 0.063 0.000 0.804 118 E CB 0.113 29.835 29.700 0.037 0.000 0.740 118 E HN 0.258 8.659 8.360 0.068 0.000 0.454 119 E N -1.344 118.903 120.200 0.078 0.000 2.077 119 E HA -0.298 nan 4.350 nan 0.000 0.193 119 E C 1.968 178.624 176.600 0.094 0.000 0.989 119 E CA 2.822 59.266 56.400 0.073 0.000 0.800 119 E CB -0.480 29.268 29.700 0.079 0.000 0.746 119 E HN 0.027 8.472 8.360 0.081 -0.037 0.452 120 Y N 0.313 120.630 120.300 0.028 0.000 2.200 120 Y HA -0.342 nan 4.550 nan 0.000 0.290 120 Y C 1.794 177.712 175.900 0.030 0.000 1.137 120 Y CA 3.167 61.286 58.100 0.032 0.000 1.163 120 Y CB 0.098 38.585 38.460 0.045 0.000 0.988 120 Y HN -0.207 8.524 8.280 0.253 -0.299 0.518 121 L N -2.028 119.201 121.223 0.009 0.000 2.042 121 L HA -0.556 nan 4.340 nan 0.000 0.210 121 L C 2.262 179.064 176.870 -0.114 0.000 1.076 121 L CA 3.547 58.351 54.840 -0.060 0.000 0.749 121 L CB -0.661 41.410 42.059 0.020 0.000 0.893 121 L HN 0.028 8.340 8.230 0.137 0.000 0.432 122 R N -2.184 118.270 120.500 -0.076 0.000 2.073 122 R HA -0.410 nan 4.340 nan 0.000 0.234 122 R C 2.447 178.683 176.300 -0.107 0.000 1.134 122 R CA 3.678 59.735 56.100 -0.072 0.000 0.952 122 R CB -0.501 29.776 30.300 -0.039 0.000 0.850 122 R HN -0.358 7.785 8.270 -0.036 0.105 0.433 123 S N -0.253 115.359 115.700 -0.148 0.000 2.383 123 S HA -0.192 nan 4.470 nan 0.000 0.227 123 S C 2.491 176.965 174.600 -0.210 0.000 1.026 123 S CA 3.180 61.284 58.200 -0.159 0.000 0.981 123 S CB 0.031 63.145 63.200 -0.144 0.000 0.818 123 S HN -0.500 7.639 8.310 -0.150 0.082 0.472 124 I N -1.312 119.057 120.570 -0.336 0.000 2.439 124 I HA -0.202 nan 4.170 nan 0.000 0.251 124 I C 1.333 177.374 176.117 -0.126 0.000 1.139 124 I CA 2.668 63.810 61.300 -0.265 0.000 1.438 124 I CB -0.246 37.547 38.000 -0.345 0.000 1.085 124 I HN 0.021 7.959 8.210 -0.453 0.000 0.427 125 K N 1.208 121.543 120.400 -0.108 0.000 2.026 125 K HA -0.335 nan 4.320 nan 0.000 0.208 125 K C 2.108 178.694 176.600 -0.023 0.000 1.048 125 K CA 2.798 59.054 56.287 -0.052 0.000 0.929 125 K CB -0.600 31.868 32.500 -0.053 0.000 0.713 125 K HN 0.086 8.173 8.250 -0.139 0.079 0.439 126 K N -2.607 117.763 120.400 -0.050 0.000 2.097 126 K HA -0.386 nan 4.320 nan 0.000 0.206 126 K C 2.068 178.674 176.600 0.011 0.000 1.049 126 K CA 3.097 59.361 56.287 -0.038 0.000 0.933 126 K CB 0.013 32.479 32.500 -0.057 0.000 0.717 126 K HN -0.276 7.929 8.250 -0.075 0.000 0.442 127 Q N -2.909 116.883 119.800 -0.014 0.000 2.245 127 Q HA -0.144 nan 4.340 nan 0.000 0.201 127 Q C 1.728 177.738 176.000 0.016 0.000 0.955 127 Q CA 1.957 57.760 55.803 0.000 0.000 0.870 127 Q CB 0.157 28.880 28.738 -0.024 0.000 0.945 127 Q HN -0.497 7.649 8.270 -0.050 0.095 0.461 128 L N -2.359 118.873 121.223 0.014 0.000 2.270 128 L HA -0.015 nan 4.340 nan 0.000 0.210 128 L C 0.314 177.199 176.870 0.024 0.000 1.104 128 L CA 0.071 54.917 54.840 0.009 0.000 0.804 128 L CB -0.242 41.815 42.059 -0.003 0.000 0.937 128 L HN -0.136 8.094 8.230 0.001 0.000 0.450 129 H N 4.185 123.234 119.070 -0.035 0.000 3.115 129 H HA -0.097 nan 4.556 nan 0.000 0.324 129 H C -1.564 173.749 175.328 -0.026 0.000 1.007 129 H CA 1.085 57.114 56.048 -0.031 0.000 1.385 129 H CB 0.671 30.414 29.762 -0.031 0.000 1.351 129 H HN -0.598 7.741 8.280 0.144 0.027 0.592 130 P HA 0.300 nan 4.420 nan 0.000 0.250 130 P C -1.589 175.572 177.300 -0.231 0.000 1.808 130 P CA -0.505 62.206 63.100 -0.648 0.000 1.117 130 P CB 0.284 31.519 31.700 -0.776 0.000 1.602 131 S N 1.989 117.607 115.700 -0.136 0.000 2.585 131 S HA -0.061 nan 4.470 nan 0.000 0.273 131 S C -0.366 174.197 174.600 -0.062 0.000 1.339 131 S CA 1.061 59.208 58.200 -0.089 0.000 1.028 131 S CB 0.672 63.830 63.200 -0.070 0.000 0.906 131 S HN -0.155 7.919 8.310 -0.116 0.167 0.528 132 K N 2.195 122.558 120.400 -0.062 0.000 2.298 132 K HA 0.074 nan 4.320 nan 0.000 0.280 132 K C -1.417 175.152 176.600 -0.052 0.000 1.032 132 K CA -0.678 55.580 56.287 -0.048 0.000 0.958 132 K CB 0.636 33.105 32.500 -0.052 0.000 0.978 132 K HN 0.473 8.681 8.250 -0.071 0.000 0.472 133 I N 2.310 122.860 120.570 -0.034 0.000 2.441 133 I HA 0.583 nan 4.170 nan 0.000 0.295 133 I C -1.163 174.947 176.117 -0.011 0.000 0.994 133 I CA -1.122 60.160 61.300 -0.030 0.000 1.144 133 I CB 2.701 40.690 38.000 -0.017 0.000 1.314 133 I HN 0.325 8.521 8.210 -0.022 0.000 0.445 134 I N 5.610 126.168 120.570 -0.020 0.000 2.382 134 I HA 0.493 nan 4.170 nan 0.000 0.286 134 I C -1.919 174.240 176.117 0.070 0.000 1.002 134 I CA -1.250 60.068 61.300 0.031 0.000 1.135 134 I CB 1.971 39.937 38.000 -0.056 0.000 1.288 134 I HN 0.451 8.631 8.210 -0.050 0.000 0.448 135 L N 8.340 129.632 121.223 0.114 0.000 2.307 135 L HA 0.810 nan 4.340 nan 0.000 0.282 135 L C -2.220 174.683 176.870 0.055 0.000 1.051 135 L CA -1.103 53.785 54.840 0.080 0.000 0.804 135 L CB 2.623 44.715 42.059 0.056 0.000 1.197 135 L HN 0.411 8.735 8.230 0.156 0.000 0.431 136 I N 6.232 126.789 120.570 -0.021 0.000 2.478 136 I HA 0.412 nan 4.170 nan 0.000 0.287 136 I C -2.408 173.567 176.117 -0.236 0.000 1.042 136 I CA -1.118 60.051 61.300 -0.220 0.000 1.067 136 I CB 2.654 40.382 38.000 -0.454 0.000 1.233 136 I HN 0.850 9.072 8.210 0.021 0.000 0.431 137 S N 6.236 121.848 115.700 -0.147 0.000 2.502 137 S HA 0.449 nan 4.470 nan 0.000 0.304 137 S C -2.003 172.620 174.600 0.038 0.000 1.097 137 S CA -1.129 57.069 58.200 -0.004 0.000 1.045 137 S CB 2.261 65.495 63.200 0.057 0.000 1.019 137 S HN 0.591 8.810 8.310 -0.151 0.000 0.481 138 D N 7.497 127.992 120.400 0.159 0.000 2.692 138 D HA 0.256 nan 4.640 nan 0.000 0.290 138 D C -0.323 176.094 176.300 0.193 0.000 1.455 138 D CA -1.232 52.888 54.000 0.200 0.000 0.796 138 D CB 1.346 42.342 40.800 0.325 0.000 1.131 138 D HN 0.263 8.767 8.370 0.223 0.000 0.467 139 V N -3.240 116.776 119.914 0.169 0.000 2.788 139 V HA 0.115 nan 4.120 nan 0.000 0.307 139 V C -0.839 175.308 176.094 0.089 0.000 1.069 139 V CA 0.547 62.930 62.300 0.139 0.000 1.173 139 V CB -0.010 31.887 31.823 0.123 0.000 0.925 139 V HN -0.808 7.479 8.190 0.162 0.000 0.492 140 R N 3.336 123.877 120.500 0.068 0.000 2.564 140 R HA 0.369 nan 4.340 nan 0.000 0.284 140 R C -0.680 175.614 176.300 -0.010 0.000 1.031 140 R CA -0.587 55.525 56.100 0.021 0.000 0.904 140 R CB 1.425 31.749 30.300 0.039 0.000 1.199 140 R HN 0.189 8.513 8.270 0.090 0.000 0.443 149 S N -0.219 115.422 115.700 -0.098 0.000 2.589 149 S HA 0.024 nan 4.470 nan 0.000 0.265 149 S C 1.423 175.923 174.600 -0.166 0.000 1.342 149 S CA -0.514 57.626 58.200 -0.101 0.000 1.005 149 S CB 1.351 64.497 63.200 -0.089 0.000 0.909 149 S HN 0.007 8.484 8.310 -0.095 -0.224 0.555 150 T N 2.904 117.358 114.554 -0.166 0.000 2.833 150 T HA -0.190 nan 4.350 nan 0.000 0.269 150 T C 1.887 176.420 174.700 -0.279 0.000 1.054 150 T CA 5.049 67.006 62.100 -0.239 0.000 1.135 150 T CB -0.473 68.269 68.868 -0.210 0.000 0.869 150 T HN 0.693 8.862 8.240 -0.117 0.000 0.466 151 A N 1.310 124.002 122.820 -0.213 0.000 1.902 151 A HA -0.174 nan 4.320 nan 0.000 0.217 151 A C 2.245 179.689 177.584 -0.233 0.000 1.181 151 A CA 3.053 54.966 52.037 -0.207 0.000 0.623 151 A CB -0.717 18.196 19.000 -0.145 0.000 0.818 151 A HN 0.235 8.267 8.150 -0.167 0.017 0.443 152 D N -0.233 120.035 120.400 -0.219 0.000 2.084 152 D HA -0.256 nan 4.640 nan 0.000 0.194 152 D C 2.409 178.506 176.300 -0.340 0.000 0.990 152 D CA 3.213 57.076 54.000 -0.229 0.000 0.826 152 D CB -0.384 40.304 40.800 -0.186 0.000 0.971 152 D HN -0.414 7.743 8.370 -0.193 0.098 0.453 153 L N -0.848 120.119 121.223 -0.428 0.000 1.989 153 L HA -0.428 nan 4.340 nan 0.000 0.211 153 L C 2.134 178.440 176.870 -0.939 0.000 1.071 153 L CA 3.244 57.646 54.840 -0.731 0.000 0.749 153 L CB -0.284 41.401 42.059 -0.622 0.000 0.890 153 L HN -0.227 7.791 8.230 -0.354 0.000 0.431 154 L N -2.548 118.282 121.223 -0.655 0.000 2.043 154 L HA -0.537 nan 4.340 nan 0.000 0.212 154 L C 2.551 179.201 176.870 -0.366 0.000 1.075 154 L CA 3.394 57.893 54.840 -0.567 0.000 0.752 154 L CB -0.897 40.871 42.059 -0.485 0.000 0.891 154 L HN 0.178 8.081 8.230 -0.544 0.000 0.432 155 S N -1.263 114.252 115.700 -0.308 0.000 2.368 155 S HA -0.377 nan 4.470 nan 0.000 0.225 155 S C 2.370 176.861 174.600 -0.181 0.000 1.030 155 S CA 3.665 61.746 58.200 -0.199 0.000 0.999 155 S CB -0.562 62.532 63.200 -0.176 0.000 0.844 155 S HN -0.187 7.926 8.310 -0.327 0.002 0.459 156 N N 1.786 120.315 118.700 -0.286 0.000 2.084 156 N HA -0.336 nan 4.740 nan 0.000 0.190 156 N C 2.617 178.091 175.510 -0.059 0.000 1.030 156 N CA 3.376 56.295 53.050 -0.217 0.000 0.849 156 N CB 0.096 38.373 38.487 -0.349 0.000 1.012 156 N HN -0.195 7.855 8.380 -0.396 0.092 0.423 157 Y N -1.042 119.226 120.300 -0.054 0.000 2.224 157 Y HA -0.318 nan 4.550 nan 0.000 0.289 157 Y C 1.914 177.812 175.900 -0.004 0.000 1.146 157 Y CA 1.031 59.123 58.100 -0.014 0.000 1.182 157 Y CB -1.091 37.350 38.460 -0.032 0.000 0.983 157 Y HN 0.323 8.245 8.280 -0.597 0.000 0.524 158 A N -0.416 122.461 122.820 0.095 0.000 1.902 158 A HA -0.296 nan 4.320 nan 0.000 0.217 158 A C 1.900 179.517 177.584 0.056 0.000 1.181 158 A CA 2.979 55.055 52.037 0.064 0.000 0.623 158 A CB -0.900 18.105 19.000 0.008 0.000 0.818 158 A HN 0.242 8.398 8.150 0.010 0.000 0.443 159 L N -1.639 119.609 121.223 0.042 0.000 2.046 159 L HA -0.363 nan 4.340 nan 0.000 0.208 159 L C 1.925 178.836 176.870 0.068 0.000 1.077 159 L CA 2.866 57.733 54.840 0.046 0.000 0.747 159 L CB -0.277 41.803 42.059 0.036 0.000 0.896 159 L HN -0.291 7.871 8.230 0.020 0.079 0.432 160 Q N -1.600 118.258 119.800 0.097 0.000 2.124 160 Q HA -0.437 nan 4.340 nan 0.000 0.202 160 Q C 2.642 178.683 176.000 0.069 0.000 0.977 160 Q CA 3.484 59.346 55.803 0.098 0.000 0.850 160 Q CB -0.417 28.407 28.738 0.143 0.000 0.901 160 Q HN 0.081 8.349 8.270 0.118 0.073 0.429 161 N N -0.291 118.452 118.700 0.073 0.000 2.270 161 N HA -0.160 nan 4.740 nan 0.000 0.181 161 N C 2.506 178.030 175.510 0.023 0.000 1.016 161 N CA 2.665 55.744 53.050 0.049 0.000 0.870 161 N CB -0.256 38.272 38.487 0.067 0.000 0.979 161 N HN -0.319 8.036 8.380 0.096 0.083 0.431 162 V N 2.036 121.967 119.914 0.029 0.000 2.667 162 V HA -0.320 nan 4.120 nan 0.000 0.252 162 V C 1.412 177.511 176.094 0.008 0.000 1.065 162 V CA 3.756 66.065 62.300 0.015 0.000 1.083 162 V CB -0.610 31.227 31.823 0.023 0.000 0.692 162 V HN -0.251 7.861 8.190 0.042 0.103 0.468 163 M N -0.130 119.482 119.600 0.020 0.000 2.086 163 M HA -0.465 nan 4.480 nan 0.000 0.261 163 M C 2.091 178.377 176.300 -0.024 0.000 1.067 163 M CA 4.941 60.251 55.300 0.017 0.000 1.116 163 M CB -0.061 32.564 32.600 0.040 0.000 1.348 163 M HN -0.332 7.855 8.290 0.033 0.122 0.407 164 I N -0.920 119.623 120.570 -0.046 0.000 2.252 164 I HA -0.518 nan 4.170 nan 0.000 0.245 164 I C 2.154 178.185 176.117 -0.143 0.000 1.102 164 I CA 4.050 65.270 61.300 -0.133 0.000 1.385 164 I CB -0.326 37.581 38.000 -0.154 0.000 1.064 164 I HN -0.523 7.675 8.210 -0.019 0.000 0.414 165 S N 0.430 116.079 115.700 -0.084 0.000 2.402 165 S HA -0.282 nan 4.470 nan 0.000 0.229 165 S C 1.403 175.966 174.600 -0.061 0.000 1.021 165 S CA 3.202 61.359 58.200 -0.072 0.000 0.974 165 S CB 0.098 63.273 63.200 -0.042 0.000 0.800 165 S HN -0.207 8.070 8.310 -0.055 0.000 0.484 166 I N 0.036 120.578 120.570 -0.048 0.000 2.429 166 I HA -0.157 nan 4.170 nan 0.000 0.247 166 I C 0.818 176.906 176.117 -0.049 0.000 1.099 166 I CA 1.947 63.222 61.300 -0.041 0.000 1.422 166 I CB 0.557 38.541 38.000 -0.026 0.000 1.112 166 I HN -0.354 7.832 8.210 -0.040 0.000 0.430 167 L N -3.150 118.043 121.223 -0.050 0.000 2.217 167 L HA -0.125 nan 4.340 nan 0.000 0.211 167 L C -0.099 176.731 176.870 -0.066 0.000 1.107 167 L CA 0.120 54.932 54.840 -0.048 0.000 0.783 167 L CB 0.066 42.105 42.059 -0.034 0.000 0.919 167 L HN 0.027 8.124 8.230 -0.046 0.106 0.442 168 N N -1.893 116.741 118.700 -0.109 0.000 2.714 168 N HA -0.296 nan 4.740 nan 0.000 0.253 168 N C -2.273 173.160 175.510 -0.129 0.000 1.024 168 N CA -0.476 52.489 53.050 -0.142 0.000 0.726 168 N CB -0.377 38.061 38.487 -0.082 0.000 0.908 168 N HN -0.385 7.799 8.380 -0.118 0.125 0.542 169 P HA 0.050 nan 4.420 nan 0.000 0.274 169 P C -0.397 176.919 177.300 0.028 0.000 1.246 169 P CA -0.504 62.563 63.100 -0.056 0.000 0.795 169 P CB 0.965 32.656 31.700 -0.015 0.000 1.006 170 V N -7.568 112.409 119.914 0.105 0.000 2.951 170 V HA 0.181 nan 4.120 nan 0.000 0.255 170 V C -1.184 175.087 176.094 0.295 0.000 1.088 170 V CA -0.110 62.288 62.300 0.164 0.000 1.109 170 V CB -0.007 31.851 31.823 0.059 0.000 0.724 170 V HN 0.772 8.897 8.190 0.063 0.103 0.471 171 A N -3.109 119.916 122.820 0.341 0.000 2.608 171 A HA 0.659 nan 4.320 nan 0.000 0.292 171 A C -2.854 175.005 177.584 0.459 0.000 1.066 171 A CA 0.223 52.489 52.037 0.382 0.000 0.676 171 A CB 2.254 21.392 19.000 0.229 0.000 1.277 171 A HN -0.761 7.507 8.150 0.260 0.038 0.413 172 S N -1.576 114.373 115.700 0.415 0.000 2.556 172 S HA 0.708 nan 4.470 nan 0.000 0.271 172 S C -1.859 172.581 174.600 -0.265 0.000 1.135 172 S CA -0.780 57.529 58.200 0.180 0.000 0.858 172 S CB 3.494 66.829 63.200 0.225 0.000 1.114 172 S HN 0.670 9.173 8.310 0.322 0.000 0.468 173 S N 1.942 117.365 115.700 -0.461 0.000 2.659 173 S HA 0.669 nan 4.470 nan 0.000 0.312 173 S C -2.124 172.316 174.600 -0.267 0.000 1.114 173 S CA -1.073 56.737 58.200 -0.651 0.000 1.063 173 S CB 0.727 63.322 63.200 -1.010 0.000 0.996 173 S HN 0.401 8.559 8.310 -0.253 0.000 0.478 174 L N 5.474 126.607 121.223 -0.150 0.000 2.362 174 L HA 0.481 nan 4.340 nan 0.000 0.271 174 L C -1.452 175.441 176.870 0.039 0.000 1.002 174 L CA -1.564 53.255 54.840 -0.036 0.000 0.818 174 L CB 3.501 45.551 42.059 -0.015 0.000 1.298 174 L HN 0.871 8.892 8.230 -0.164 0.111 0.420 175 K N 3.006 123.466 120.400 0.101 0.000 2.451 175 K HA -0.110 nan 4.320 nan 0.000 0.280 175 K C -1.186 175.582 176.600 0.280 0.000 1.020 175 K CA 1.103 57.489 56.287 0.165 0.000 1.008 175 K CB 0.687 33.295 32.500 0.179 0.000 0.917 175 K HN 0.278 8.693 8.250 0.093 -0.109 0.478 176 W N 8.249 129.528 121.300 -0.035 0.000 2.802 176 W HA 0.057 nan 4.660 nan 0.000 0.331 176 W C -3.134 173.302 176.519 -0.138 0.000 1.021 176 W CA -1.255 55.995 57.345 -0.159 0.000 1.259 176 W CB 3.013 32.339 29.460 -0.223 0.000 1.323 176 W HN 0.178 8.478 8.180 0.201 0.000 0.432 177 R N 8.353 128.568 120.500 -0.475 0.000 2.502 177 R HA 0.436 nan 4.340 nan 0.000 0.298 177 R C -2.106 173.610 176.300 -0.973 0.000 1.018 177 R CA -1.238 54.421 56.100 -0.735 0.000 0.899 177 R CB 3.504 33.636 30.300 -0.281 0.000 1.181 177 R HN 0.238 8.521 8.270 0.022 0.000 0.444 178 C N 7.416 125.846 119.300 -1.450 0.000 2.653 178 C HA 0.159 nan 4.460 nan 0.000 0.421 178 C C -1.510 173.241 174.990 -0.398 0.000 1.334 178 C CA -2.187 56.278 59.018 -0.923 0.000 1.885 178 C CB -0.698 26.496 27.740 -0.909 0.000 2.645 178 C HN 0.713 7.980 8.230 -1.606 0.000 0.601 179 P HA -0.016 nan 4.420 nan 0.000 0.268 179 P C -1.821 175.428 177.300 -0.084 0.000 1.208 179 P CA 0.176 63.137 63.100 -0.231 0.000 0.777 179 P CB 0.585 32.252 31.700 -0.055 0.000 0.875 180 F N 0.215 120.227 119.950 0.103 0.000 2.484 180 F HA 0.044 nan 4.527 nan 0.000 0.360 180 F C 1.115 177.034 175.800 0.199 0.000 1.101 180 F CA -2.277 55.770 58.000 0.078 0.000 1.251 180 F CB -1.064 37.922 39.000 -0.023 0.000 1.132 180 F HN 0.262 8.179 8.300 -0.639 0.000 0.570 181 P HA -0.261 nan 4.420 nan 0.000 0.216 181 P C 0.181 177.622 177.300 0.235 0.000 1.150 181 P CA 2.559 65.799 63.100 0.233 0.000 0.843 181 P CB -0.170 31.585 31.700 0.092 0.000 0.787 182 D N -4.458 116.064 120.400 0.203 0.000 2.378 182 D HA -0.131 nan 4.640 nan 0.000 0.227 182 D C 0.270 176.681 176.300 0.185 0.000 1.012 182 D CA 0.888 54.984 54.000 0.161 0.000 0.905 182 D CB -1.218 39.646 40.800 0.108 0.000 0.895 182 D HN 0.459 8.934 8.370 0.200 0.015 0.532 183 Q N -2.389 117.559 119.800 0.245 0.000 2.106 183 Q HA 0.092 nan 4.340 nan 0.000 0.273 183 Q C -1.308 174.816 176.000 0.206 0.000 0.853 183 Q CA -1.258 54.658 55.803 0.189 0.000 1.118 183 Q CB 1.256 30.091 28.738 0.161 0.000 1.240 183 Q HN -0.387 7.873 8.270 0.310 0.195 0.445 184 W N 0.329 121.671 121.300 0.070 0.000 2.137 184 W HA -0.135 nan 4.660 nan 0.000 0.344 184 W C -1.113 175.443 176.519 0.062 0.000 1.286 184 W CA 1.415 58.807 57.345 0.079 0.000 1.240 184 W CB 0.823 30.336 29.460 0.090 0.000 1.141 184 W HN -0.567 7.870 8.180 0.427 0.000 0.579 185 I N 1.061 121.328 120.570 -0.505 0.000 3.878 185 I HA -0.005 nan 4.170 nan 0.000 0.273 185 I C -1.074 174.887 176.117 -0.259 0.000 1.165 185 I CA 0.334 61.469 61.300 -0.275 0.000 1.360 185 I CB 0.991 38.830 38.000 -0.269 0.000 1.539 185 I HN 0.031 7.489 8.210 -1.253 0.000 0.447 186 K N -2.561 117.516 120.400 -0.537 0.000 2.625 186 K HA 0.145 nan 4.320 nan 0.000 0.284 186 K C -2.395 174.217 176.600 0.020 0.000 0.984 186 K CA -1.118 55.113 56.287 -0.092 0.000 0.865 186 K CB 2.684 35.186 32.500 0.003 0.000 1.468 186 K HN -0.734 6.937 8.250 -0.965 0.000 0.407 187 D N -0.019 120.631 120.400 0.417 0.000 2.357 187 D HA 0.417 nan 4.640 nan 0.000 0.242 187 D C -1.554 174.986 176.300 0.400 0.000 1.153 187 D CA 0.452 54.748 54.000 0.493 0.000 0.918 187 D CB 0.532 41.521 40.800 0.316 0.000 1.181 187 D HN 0.136 8.740 8.370 0.389 0.000 0.435 188 F N -3.718 116.304 119.950 0.121 0.000 2.745 188 F HA 0.278 nan 4.527 nan 0.000 0.316 188 F C -2.664 173.143 175.800 0.011 0.000 1.155 188 F CA -1.627 56.447 58.000 0.124 0.000 0.937 188 F CB 2.012 41.067 39.000 0.091 0.000 1.361 188 F HN -0.145 8.038 8.300 -0.195 0.000 0.472 189 Y N -1.663 118.710 120.300 0.122 0.000 2.429 189 Y HA 0.734 nan 4.550 nan 0.000 0.342 189 Y C -1.100 174.790 175.900 -0.015 0.000 1.004 189 Y CA -0.702 57.381 58.100 -0.029 0.000 1.075 189 Y CB 2.470 40.937 38.460 0.012 0.000 1.214 189 Y HN -0.129 8.511 8.280 0.601 0.000 0.455 190 I N -2.578 117.943 120.570 -0.081 0.000 2.785 190 I HA 0.701 nan 4.170 nan 0.000 0.302 190 I C -2.654 173.391 176.117 -0.121 0.000 1.069 190 I CA -4.091 57.084 61.300 -0.208 0.000 1.045 190 I CB 2.695 40.280 38.000 -0.691 0.000 1.236 190 I HN 0.472 8.587 8.210 -0.158 0.000 0.429 191 P HA -0.027 nan 4.420 nan 0.000 0.269 191 P C -1.761 175.521 177.300 -0.031 0.000 1.209 191 P CA -0.177 62.931 63.100 0.013 0.000 0.776 191 P CB 0.420 32.161 31.700 0.069 0.000 0.876 192 H N 4.530 123.576 119.070 -0.040 0.000 2.764 192 H HA -0.113 nan 4.556 nan 0.000 0.341 192 H C -0.972 174.306 175.328 -0.084 0.000 1.072 192 H CA 1.079 57.090 56.048 -0.062 0.000 1.444 192 H CB 0.982 30.725 29.762 -0.032 0.000 1.458 192 H HN 0.366 8.756 8.280 0.184 0.000 0.572 193 G N 3.418 111.816 108.800 -0.670 0.000 2.488 193 G HA2 0.065 nan 3.960 nan 0.000 0.301 193 G HA3 0.065 nan 3.960 nan 0.000 0.301 193 G C -2.841 171.848 174.900 -0.352 0.000 1.339 193 G CA -0.205 44.620 45.100 -0.459 0.000 0.803 193 G HN -0.194 7.693 8.290 -0.671 0.000 0.482 194 N N 0.188 118.800 118.700 -0.147 0.000 2.499 194 N HA 0.195 nan 4.740 nan 0.000 0.281 194 N C -0.134 175.501 175.510 0.208 0.000 1.098 194 N CA 0.039 53.084 53.050 -0.007 0.000 0.979 194 N CB 1.142 39.617 38.487 -0.020 0.000 1.121 194 N HN 0.218 8.530 8.380 -0.113 0.000 0.466 195 K N 4.335 124.933 120.400 0.331 0.000 2.142 195 K HA 0.056 nan 4.320 nan 0.000 0.250 195 K C -1.043 175.832 176.600 0.458 0.000 1.148 195 K CA -1.733 54.788 56.287 0.391 0.000 1.040 195 K CB -1.437 31.329 32.500 0.443 0.000 1.569 195 K HN 0.643 9.067 8.250 0.290 0.000 0.361 196 M N 4.846 124.655 119.600 0.348 0.000 2.227 196 M HA -0.002 nan 4.480 nan 0.000 0.349 196 M C -1.715 174.622 176.300 0.062 0.000 1.443 196 M CA 0.333 55.696 55.300 0.106 0.000 1.110 196 M CB 0.739 33.425 32.600 0.142 0.000 1.773 196 M HN 0.284 8.764 8.290 0.317 0.000 0.463 197 L N 6.715 127.941 121.223 0.005 0.000 2.436 197 L HA 0.051 nan 4.340 nan 0.000 0.265 197 L C -1.298 175.609 176.870 0.062 0.000 1.168 197 L CA -0.225 54.676 54.840 0.101 0.000 0.815 197 L CB 0.227 42.376 42.059 0.149 0.000 1.109 197 L HN 0.040 8.191 8.230 -0.131 0.000 0.462 198 Q N 1.083 120.922 119.800 0.064 0.000 2.357 198 Q HA 0.403 nan 4.340 nan 0.000 0.266 198 Q C -2.271 173.679 176.000 -0.083 0.000 1.021 198 Q CA -3.304 52.471 55.803 -0.047 0.000 0.784 198 Q CB 0.899 29.632 28.738 -0.009 0.000 1.243 198 Q HN 0.360 8.687 8.270 0.096 0.000 0.465 199 P HA -0.105 nan 4.420 nan 0.000 0.269 199 P C -0.816 176.437 177.300 -0.078 0.000 1.209 199 P CA 0.010 62.920 63.100 -0.316 0.000 0.776 199 P CB 0.263 31.665 31.700 -0.496 0.000 0.876 200 F N -4.597 115.297 119.950 -0.093 0.000 3.034 200 F HA -0.509 nan 4.527 nan 0.000 0.286 200 F C -0.353 175.415 175.800 -0.053 0.000 0.804 200 F CA 0.879 58.831 58.000 -0.080 0.000 1.161 200 F CB -2.195 36.738 39.000 -0.112 0.000 1.317 200 F HN -0.558 7.561 8.300 -0.658 -0.213 0.453 201 A N -1.241 121.608 122.820 0.049 0.000 2.346 201 A HA 0.177 nan 4.320 nan 0.000 0.252 201 A C -2.072 175.530 177.584 0.030 0.000 1.089 201 A CA -1.104 50.958 52.037 0.041 0.000 0.797 201 A CB -0.038 18.977 19.000 0.024 0.000 1.047 201 A HN -0.660 7.437 8.150 -0.006 0.049 0.494 202 P HA -0.124 nan 4.420 nan 0.000 0.268 202 P C 0.666 177.955 177.300 -0.018 0.000 1.208 202 P CA 0.486 63.608 63.100 0.037 0.000 0.777 202 P CB 0.029 31.769 31.700 0.067 0.000 0.875 203 S N 3.351 119.015 115.700 -0.059 0.000 2.389 203 S HA -0.445 nan 4.470 nan 0.000 0.231 203 S C 0.251 174.504 174.600 -0.578 0.000 1.052 203 S CA 3.333 61.364 58.200 -0.281 0.000 1.053 203 S CB 0.172 63.240 63.200 -0.220 0.000 0.886 203 S HN 0.475 8.655 8.310 -0.010 0.125 0.456 204 Y N -4.625 115.724 120.300 0.081 0.000 2.716 204 Y HA 0.107 nan 4.550 nan 0.000 0.260 204 Y C -1.481 174.496 175.900 0.129 0.000 1.141 204 Y CA -1.498 56.677 58.100 0.125 0.000 1.168 204 Y CB -0.334 38.243 38.460 0.196 0.000 1.189 204 Y HN -0.498 7.833 8.280 0.108 0.013 0.549 205 S N 1.704 117.488 115.700 0.139 0.000 2.564 205 S HA -0.051 nan 4.470 nan 0.000 0.278 205 S C 0.132 174.800 174.600 0.115 0.000 1.333 205 S CA -0.472 57.803 58.200 0.126 0.000 1.048 205 S CB 1.222 64.467 63.200 0.075 0.000 0.900 205 S HN -0.595 7.588 8.310 0.054 0.159 0.505 206 A N 5.972 128.858 122.820 0.109 0.000 2.500 206 A HA 0.221 nan 4.320 nan 0.000 0.267 206 A C -1.011 176.524 177.584 -0.082 0.000 1.290 206 A CA -0.652 51.422 52.037 0.062 0.000 0.928 206 A CB 0.142 19.210 19.000 0.113 0.000 1.066 206 A HN 0.100 8.327 8.150 0.129 0.000 0.516 207 E N 0.467 120.637 120.200 -0.050 0.000 2.313 207 E HA 0.143 nan 4.350 nan 0.000 0.276 207 E C -0.873 175.700 176.600 -0.045 0.000 1.031 207 E CA 0.015 56.359 56.400 -0.093 0.000 0.857 207 E CB 1.256 30.942 29.700 -0.023 0.000 1.040 207 E HN -0.709 7.570 8.360 0.010 0.087 0.408 208 M N 1.441 121.007 119.600 -0.058 0.000 2.907 208 M HA 0.725 nan 4.480 nan 0.000 0.282 208 M C -1.799 174.559 176.300 0.097 0.000 1.259 208 M CA -1.351 53.976 55.300 0.044 0.000 0.753 208 M CB 4.103 36.758 32.600 0.091 0.000 1.744 208 M HN 0.759 8.969 8.290 -0.134 0.000 0.434 209 R N -3.006 117.569 120.500 0.124 0.000 2.480 209 R HA 0.725 nan 4.340 nan 0.000 0.306 209 R C -1.925 174.441 176.300 0.110 0.000 0.958 209 R CA -2.401 53.759 56.100 0.100 0.000 0.861 209 R CB 1.566 31.895 30.300 0.049 0.000 1.171 209 R HN 0.588 8.834 8.270 0.136 0.105 0.445 210 L N 5.017 126.276 121.223 0.059 0.000 2.283 210 L HA 0.420 nan 4.340 nan 0.000 0.287 210 L C -1.872 174.939 176.870 -0.100 0.000 1.073 210 L CA -0.959 53.871 54.840 -0.017 0.000 0.822 210 L CB 1.149 43.133 42.059 -0.125 0.000 1.186 210 L HN 0.677 8.942 8.230 0.059 0.000 0.436 211 L N 8.031 129.218 121.223 -0.061 0.000 2.280 211 L HA 0.485 nan 4.340 nan 0.000 0.287 211 L C -1.321 175.501 176.870 -0.081 0.000 1.023 211 L CA -0.918 53.864 54.840 -0.097 0.000 0.819 211 L CB 0.175 42.291 42.059 0.094 0.000 1.212 211 L HN 0.760 9.001 8.230 0.017 0.000 0.420 212 S N 4.463 120.095 115.700 -0.112 0.000 2.542 212 S HA 0.466 nan 4.470 nan 0.000 0.293 212 S C -1.783 172.618 174.600 -0.331 0.000 1.089 212 S CA -0.915 57.118 58.200 -0.278 0.000 0.961 212 S CB 3.019 65.970 63.200 -0.416 0.000 1.062 212 S HN 0.645 8.899 8.310 -0.094 0.000 0.483 213 I N 2.277 122.591 120.570 -0.427 0.000 2.436 213 I HA 0.297 nan 4.170 nan 0.000 0.289 213 I C -1.198 174.670 176.117 -0.414 0.000 1.010 213 I CA -0.730 60.403 61.300 -0.279 0.000 1.098 213 I CB 2.647 40.584 38.000 -0.106 0.000 1.266 213 I HN 0.215 8.178 8.210 -0.411 0.000 0.434 214 Y N 7.926 128.254 120.300 0.047 0.000 2.404 214 Y HA 0.080 nan 4.550 nan 0.000 0.344 214 Y C -0.253 175.667 175.900 0.034 0.000 0.970 214 Y CA -0.471 57.653 58.100 0.041 0.000 1.180 214 Y CB -0.147 38.332 38.460 0.032 0.000 1.138 214 Y HN 0.222 8.467 8.280 0.138 0.118 0.510 215 T N 6.194 120.825 114.554 0.127 0.000 2.902 215 T HA 0.272 nan 4.350 nan 0.000 0.283 215 T C -0.038 174.716 174.700 0.090 0.000 1.009 215 T CA -0.696 61.457 62.100 0.088 0.000 1.051 215 T CB 1.498 70.399 68.868 0.055 0.000 0.999 215 T HN 0.373 8.672 8.240 0.098 0.000 0.474 216 G N 3.137 111.976 108.800 0.065 0.000 2.575 216 G HA2 -0.315 nan 3.960 nan 0.000 0.267 216 G HA3 -0.315 nan 3.960 nan 0.000 0.267 216 G C -1.105 173.830 174.900 0.057 0.000 1.264 216 G CA 0.457 45.588 45.100 0.051 0.000 0.935 216 G HN -0.005 8.319 8.290 0.056 0.000 0.568 217 E N 0.625 120.851 120.200 0.043 0.000 2.558 217 E HA 0.002 nan 4.350 nan 0.000 0.205 217 E C -0.778 175.844 176.600 0.037 0.000 1.006 217 E CA -0.567 55.852 56.400 0.033 0.000 0.961 217 E CB 0.272 29.982 29.700 0.017 0.000 1.044 217 E HN 0.278 8.659 8.360 0.035 0.000 0.465 218 N N 1.317 120.052 118.700 0.058 0.000 2.508 218 N HA 0.064 nan 4.740 nan 0.000 0.285 218 N C -1.411 174.163 175.510 0.106 0.000 1.144 218 N CA 0.193 53.280 53.050 0.061 0.000 0.978 218 N CB 0.962 39.479 38.487 0.051 0.000 1.180 218 N HN -0.612 7.727 8.380 0.067 0.082 0.484 219 M N 1.535 121.188 119.600 0.089 0.000 2.151 219 M HA 0.053 nan 4.480 nan 0.000 0.290 219 M C -1.477 174.885 176.300 0.102 0.000 0.965 219 M CA -0.214 55.165 55.300 0.132 0.000 0.930 219 M CB 2.012 34.653 32.600 0.068 0.000 1.560 219 M HN 0.041 8.364 8.290 0.055 0.000 0.438 220 R N 7.355 127.933 120.500 0.131 0.000 2.338 220 R HA 0.372 nan 4.340 nan 0.000 0.317 220 R C -1.821 174.557 176.300 0.130 0.000 0.968 220 R CA -0.608 55.545 56.100 0.089 0.000 0.849 220 R CB 1.197 31.515 30.300 0.030 0.000 1.128 220 R HN 0.282 8.663 8.270 0.186 0.000 0.448 221 L N 3.264 124.560 121.223 0.122 0.000 2.286 221 L HA 0.760 nan 4.340 nan 0.000 0.265 221 L C -0.686 176.307 176.870 0.206 0.000 1.012 221 L CA -1.292 53.653 54.840 0.175 0.000 0.818 221 L CB 3.247 45.432 42.059 0.210 0.000 1.337 221 L HN 0.294 8.581 8.230 0.095 0.000 0.438 222 T N -2.284 112.365 114.554 0.159 0.000 2.971 222 T HA 0.334 nan 4.350 nan 0.000 0.304 222 T C -1.303 173.198 174.700 -0.332 0.000 1.038 222 T CA -1.266 60.836 62.100 0.003 0.000 1.007 222 T CB 2.602 71.466 68.868 -0.007 0.000 1.055 222 T HN 0.544 8.855 8.240 0.118 0.000 0.451 223 R N 4.433 124.537 120.500 -0.659 0.000 2.543 223 R HA 0.512 nan 4.340 nan 0.000 0.277 223 R C -1.055 174.918 176.300 -0.545 0.000 1.074 223 R CA 0.648 56.089 56.100 -1.098 0.000 1.076 223 R CB 0.912 30.655 30.300 -0.929 0.000 0.993 223 R HN 0.306 8.352 8.270 -0.373 0.000 0.459 224 V N 7.207 126.793 119.914 -0.548 0.000 2.444 224 V HA 0.476 nan 4.120 nan 0.000 0.294 224 V C -1.877 174.195 176.094 -0.036 0.000 1.022 224 V CA -2.162 59.957 62.300 -0.302 0.000 0.850 224 V CB 2.945 34.522 31.823 -0.410 0.000 0.992 224 V HN 0.724 8.501 8.190 -0.688 0.000 0.426 225 T N 4.074 118.597 114.554 -0.051 0.000 2.949 225 T HA 0.616 nan 4.350 nan 0.000 0.287 225 T C -0.027 174.225 174.700 -0.748 0.000 1.034 225 T CA -1.839 60.166 62.100 -0.158 0.000 1.018 225 T CB 3.023 71.794 68.868 -0.161 0.000 1.135 225 T HN 0.141 8.641 8.240 -0.091 -0.314 0.532 226 K N 1.268 120.882 120.400 -1.310 0.000 2.152 226 K HA -0.442 nan 4.320 nan 0.000 0.206 226 K C 1.644 177.867 176.600 -0.629 0.000 1.048 226 K CA 4.157 59.522 56.287 -1.537 0.000 0.933 226 K CB -0.058 31.680 32.500 -1.269 0.000 0.721 226 K HN 0.548 8.245 8.250 -0.922 0.000 0.447 227 S N -2.718 112.744 115.700 -0.397 0.000 2.402 227 S HA -0.266 nan 4.470 nan 0.000 0.229 227 S C 2.030 176.532 174.600 -0.163 0.000 1.021 227 S CA 3.172 61.243 58.200 -0.215 0.000 0.974 227 S CB -0.798 62.312 63.200 -0.151 0.000 0.800 227 S HN -0.362 7.708 8.310 -0.384 0.010 0.484 228 D N 2.937 123.233 120.400 -0.173 0.000 2.117 228 D HA -0.247 nan 4.640 nan 0.000 0.198 228 D C 1.795 178.111 176.300 0.025 0.000 0.982 228 D CA 3.064 57.010 54.000 -0.090 0.000 0.828 228 D CB -0.343 40.443 40.800 -0.023 0.000 0.967 228 D HN -0.663 7.455 8.370 -0.232 0.113 0.464 229 A N -0.194 122.632 122.820 0.009 0.000 1.940 229 A HA -0.230 nan 4.320 nan 0.000 0.219 229 A C 2.403 180.064 177.584 0.129 0.000 1.176 229 A CA 3.194 55.328 52.037 0.161 0.000 0.631 229 A CB -0.552 18.489 19.000 0.069 0.000 0.814 229 A HN 0.047 7.994 8.150 -0.209 0.077 0.446 230 V N -0.700 119.221 119.914 0.011 0.000 2.427 230 V HA -0.495 nan 4.120 nan 0.000 0.248 230 V C 1.729 177.863 176.094 0.068 0.000 1.051 230 V CA 4.595 66.914 62.300 0.031 0.000 1.048 230 V CB -1.002 30.807 31.823 -0.023 0.000 0.666 230 V HN 0.020 8.061 8.190 -0.083 0.099 0.456 231 N N 0.063 118.784 118.700 0.035 0.000 2.106 231 N HA -0.346 nan 4.740 nan 0.000 0.188 231 N C 1.785 177.404 175.510 0.182 0.000 1.029 231 N CA 3.810 56.889 53.050 0.049 0.000 0.848 231 N CB 0.413 38.878 38.487 -0.036 0.000 1.007 231 N HN -0.559 7.735 8.380 -0.009 0.081 0.423 232 Y N -0.681 119.727 120.300 0.179 0.000 2.128 232 Y HA -0.426 nan 4.550 nan 0.000 0.284 232 Y C 2.132 178.151 175.900 0.198 0.000 1.154 232 Y CA 3.732 61.909 58.100 0.129 0.000 1.149 232 Y CB -0.308 38.070 38.460 -0.136 0.000 0.976 232 Y HN 0.279 8.602 8.280 0.072 0.000 0.505 233 E N -1.188 119.200 120.200 0.312 0.000 2.058 233 E HA -0.451 nan 4.350 nan 0.000 0.194 233 E C 2.590 179.350 176.600 0.267 0.000 0.997 233 E CA 3.377 59.913 56.400 0.227 0.000 0.801 233 E CB -0.253 29.527 29.700 0.134 0.000 0.746 233 E HN -0.370 8.165 8.360 0.291 0.000 0.450 234 K N -1.848 118.693 120.400 0.234 0.000 2.062 234 K HA -0.253 nan 4.320 nan 0.000 0.205 234 K C 2.809 179.565 176.600 0.259 0.000 1.051 234 K CA 3.032 59.461 56.287 0.237 0.000 0.941 234 K CB 0.025 32.607 32.500 0.136 0.000 0.719 234 K HN -0.571 7.797 8.250 0.197 0.000 0.440 235 K N -0.366 120.168 120.400 0.224 0.000 2.025 235 K HA -0.219 nan 4.320 nan 0.000 0.207 235 K C 2.570 179.297 176.600 0.212 0.000 1.049 235 K CA 2.530 58.900 56.287 0.137 0.000 0.933 235 K CB -0.275 32.173 32.500 -0.086 0.000 0.714 235 K HN -0.200 8.197 8.250 0.246 0.000 0.438 236 M N -1.676 118.130 119.600 0.343 0.000 2.229 236 M HA -0.227 nan 4.480 nan 0.000 0.264 236 M C 2.323 178.766 176.300 0.238 0.000 1.063 236 M CA 1.893 57.360 55.300 0.278 0.000 1.114 236 M CB -1.101 31.683 32.600 0.306 0.000 1.387 236 M HN 0.059 8.614 8.290 0.440 0.000 0.420 237 Y N 0.857 121.288 120.300 0.218 0.000 2.242 237 Y HA -0.425 nan 4.550 nan 0.000 0.291 237 Y C 1.594 177.610 175.900 0.193 0.000 1.137 237 Y CA 4.246 62.498 58.100 0.254 0.000 1.181 237 Y CB -0.202 38.440 38.460 0.303 0.000 0.989 237 Y HN -0.222 8.325 8.280 0.445 0.000 0.527 238 Y N 0.528 120.829 120.300 0.001 0.000 2.145 238 Y HA -0.454 nan 4.550 nan 0.000 0.286 238 Y C 1.474 177.276 175.900 -0.162 0.000 1.145 238 Y CA 2.850 60.889 58.100 -0.102 0.000 1.148 238 Y CB -0.260 38.163 38.460 -0.062 0.000 0.981 238 Y HN -0.278 8.210 8.280 0.345 0.000 0.507 239 L N -0.942 120.029 121.223 -0.420 0.000 2.012 239 L HA -0.537 nan 4.340 nan 0.000 0.210 239 L C 1.560 178.182 176.870 -0.413 0.000 1.073 239 L CA 3.629 58.180 54.840 -0.481 0.000 0.748 239 L CB -0.316 41.609 42.059 -0.224 0.000 0.891 239 L HN 0.234 8.400 8.230 -0.105 0.000 0.431 240 N N -1.027 117.497 118.700 -0.293 0.000 2.106 240 N HA -0.259 nan 4.740 nan 0.000 0.188 240 N C 1.841 177.116 175.510 -0.390 0.000 1.029 240 N CA 2.823 55.674 53.050 -0.332 0.000 0.848 240 N CB -0.419 37.924 38.487 -0.239 0.000 1.007 240 N HN -0.128 8.134 8.380 -0.198 0.000 0.423 241 K N -0.620 119.548 120.400 -0.386 0.000 2.062 241 K HA -0.117 nan 4.320 nan 0.000 0.205 241 K C 1.377 177.829 176.600 -0.246 0.000 1.051 241 K CA 1.871 57.991 56.287 -0.279 0.000 0.941 241 K CB 0.466 32.671 32.500 -0.492 0.000 0.719 241 K HN -0.153 7.804 8.250 -0.488 0.000 0.440 242 I N -3.882 116.483 120.570 -0.342 0.000 2.726 242 I HA -0.036 nan 4.170 nan 0.000 0.243 242 I C 2.238 178.133 176.117 -0.371 0.000 1.082 242 I CA 0.746 61.866 61.300 -0.300 0.000 1.447 242 I CB 0.280 38.132 38.000 -0.247 0.000 1.250 242 I HN -0.344 7.598 8.210 -0.448 0.000 0.453 243 V N 1.561 121.129 119.914 -0.578 0.000 2.219 243 V HA -0.462 nan 4.120 nan 0.000 0.248 243 V C 2.262 177.944 176.094 -0.686 0.000 1.053 243 V CA 4.699 66.612 62.300 -0.645 0.000 1.009 243 V CB -1.043 30.337 31.823 -0.738 0.000 0.636 243 V HN -0.672 7.053 8.190 -0.776 0.000 0.445 244 R N -3.874 116.269 120.500 -0.594 0.000 2.303 244 R HA -0.330 nan 4.340 nan 0.000 0.225 244 R C 1.764 177.978 176.300 -0.144 0.000 1.114 244 R CA 2.842 58.759 56.100 -0.306 0.000 1.007 244 R CB -0.536 29.643 30.300 -0.201 0.000 0.861 244 R HN 0.152 8.092 8.270 -0.549 0.000 0.471 245 N N -3.623 114.969 118.700 -0.179 0.000 2.336 245 N HA 0.009 nan 4.740 nan 0.000 0.189 245 N C -0.089 175.389 175.510 -0.053 0.000 1.113 245 N CA 0.249 53.245 53.050 -0.090 0.000 0.858 245 N CB 0.409 38.842 38.487 -0.090 0.000 0.970 245 N HN -0.717 7.345 8.380 -0.256 0.165 0.471 246 K N -0.384 119.976 120.400 -0.067 0.000 2.154 246 K HA 0.147 nan 4.320 nan 0.000 0.264 246 K C -1.515 175.104 176.600 0.032 0.000 1.008 246 K CA -1.364 54.904 56.287 -0.032 0.000 0.937 246 K CB 1.027 33.485 32.500 -0.071 0.000 1.002 246 K HN -0.245 7.754 8.250 -0.128 0.174 0.469 247 V N 2.404 122.325 119.914 0.012 0.000 2.275 247 V HA 0.315 nan 4.120 nan 0.000 0.272 247 V C -0.440 175.646 176.094 -0.015 0.000 1.028 247 V CA -0.970 61.349 62.300 0.030 0.000 0.810 247 V CB 0.546 32.384 31.823 0.025 0.000 1.043 247 V HN -0.219 7.964 8.190 -0.012 0.000 0.453 248 V N 8.875 128.758 119.914 -0.052 0.000 2.356 248 V HA -0.053 nan 4.120 nan 0.000 0.244 248 V C 1.622 177.672 176.094 -0.073 0.000 1.120 248 V CA 0.829 63.011 62.300 -0.197 0.000 1.181 248 V CB -2.607 28.832 31.823 -0.641 0.000 1.244 248 V HN 0.508 8.694 8.190 -0.007 0.000 0.487 249 V N 4.037 123.914 119.914 -0.062 0.000 2.626 249 V HA -0.292 nan 4.120 nan 0.000 0.252 249 V C 0.315 176.395 176.094 -0.023 0.000 1.067 249 V CA 3.042 65.326 62.300 -0.028 0.000 1.081 249 V CB -0.553 31.253 31.823 -0.029 0.000 0.686 249 V HN 0.182 8.325 8.190 -0.078 0.000 0.468 250 N N -2.061 116.611 118.700 -0.048 0.000 2.383 250 N HA -0.127 nan 4.740 nan 0.000 0.192 250 N C -0.539 174.997 175.510 0.042 0.000 1.141 250 N CA 0.442 53.480 53.050 -0.020 0.000 0.851 250 N CB 0.530 38.996 38.487 -0.035 0.000 0.976 250 N HN -0.381 7.912 8.380 -0.095 0.030 0.465 251 F N 2.756 122.607 119.950 -0.165 0.000 2.335 251 F HA 0.064 nan 4.527 nan 0.000 0.365 251 F C -1.758 174.030 175.800 -0.020 0.000 1.122 251 F CA -2.008 55.918 58.000 -0.124 0.000 1.151 251 F CB 0.658 39.523 39.000 -0.224 0.000 1.282 251 F HN -0.402 7.747 8.300 0.078 0.198 0.513 252 D N 9.871 130.185 120.400 -0.143 0.000 2.435 252 D HA -0.051 nan 4.640 nan 0.000 0.230 252 D C -2.106 173.998 176.300 -0.326 0.000 1.215 252 D CA -0.204 53.686 54.000 -0.184 0.000 0.947 252 D CB -0.479 40.275 40.800 -0.076 0.000 1.048 252 D HN 0.171 8.528 8.370 -0.021 0.000 0.512 253 Y N 4.316 124.238 120.300 -0.630 0.000 2.581 253 Y HA 0.204 nan 4.550 nan 0.000 0.337 253 Y C -1.950 173.730 175.900 -0.368 0.000 1.108 253 Y CA -2.262 55.458 58.100 -0.633 0.000 1.033 253 Y CB 1.796 39.444 38.460 -1.354 0.000 1.318 253 Y HN -0.721 7.359 8.280 -0.334 0.000 0.459 254 P HA -0.186 nan 4.420 nan 0.000 0.218 254 P C -1.927 175.206 177.300 -0.279 0.000 1.146 254 P CA 1.292 64.135 63.100 -0.429 0.000 0.813 254 P CB 0.437 31.828 31.700 -0.514 0.000 0.778 255 N N -3.126 115.467 118.700 -0.178 0.000 2.410 255 N HA 0.095 nan 4.740 nan 0.000 0.287 255 N C -1.069 174.529 175.510 0.148 0.000 1.044 255 N CA -0.538 52.407 53.050 -0.174 0.000 0.881 255 N CB 1.248 39.284 38.487 -0.751 0.000 1.405 255 N HN -0.258 8.064 8.380 -0.040 0.035 0.490 256 Q N 1.532 121.421 119.800 0.149 0.000 2.247 256 Q HA 0.002 nan 4.340 nan 0.000 0.204 256 Q C -1.101 175.074 176.000 0.291 0.000 0.872 256 Q CA -0.047 55.956 55.803 0.333 0.000 0.951 256 Q CB 0.738 29.573 28.738 0.163 0.000 1.099 256 Q HN 0.429 8.723 8.270 0.041 0.000 0.501 257 E N 0.005 120.375 120.200 0.284 0.000 2.392 257 E HA -0.152 nan 4.350 nan 0.000 0.264 257 E C 0.614 177.397 176.600 0.305 0.000 1.024 257 E CA 0.805 57.377 56.400 0.286 0.000 0.903 257 E CB 0.349 30.262 29.700 0.355 0.000 0.963 257 E HN -0.348 8.076 8.360 0.241 0.080 0.432 258 Y N 7.190 127.540 120.300 0.083 0.000 2.096 258 Y HA -0.554 nan 4.550 nan 0.000 0.278 258 Y C 1.193 177.113 175.900 0.034 0.000 1.192 258 Y CA 4.685 62.810 58.100 0.042 0.000 1.143 258 Y CB 0.183 38.617 38.460 -0.044 0.000 0.963 258 Y HN 0.529 8.968 8.280 0.266 0.000 0.505 259 D N -2.150 118.225 120.400 -0.043 0.000 2.221 259 D HA -0.356 nan 4.640 nan 0.000 0.204 259 D C 2.394 178.432 176.300 -0.437 0.000 0.982 259 D CA 3.375 57.096 54.000 -0.464 0.000 0.857 259 D CB -0.688 39.500 40.800 -1.019 0.000 0.934 259 D HN 0.330 8.760 8.370 0.100 0.000 0.475 260 Y N -0.645 119.645 120.300 -0.018 0.000 2.365 260 Y HA -0.277 nan 4.550 nan 0.000 0.293 260 Y C 1.891 177.847 175.900 0.094 0.000 1.119 260 Y CA 3.340 61.577 58.100 0.229 0.000 1.203 260 Y CB 0.160 38.879 38.460 0.432 0.000 1.026 260 Y HN -0.274 8.067 8.280 0.328 0.136 0.549 261 F N 1.037 120.859 119.950 -0.214 0.000 2.186 261 F HA -0.426 nan 4.527 nan 0.000 0.299 261 F C 1.215 176.719 175.800 -0.495 0.000 1.090 261 F CA 2.789 60.241 58.000 -0.914 0.000 1.307 261 F CB 0.006 38.379 39.000 -1.045 0.000 1.019 261 F HN -0.367 7.940 8.300 0.157 0.087 0.489 262 H N -0.090 118.548 119.070 -0.720 0.000 2.363 262 H HA -0.331 nan 4.556 nan 0.000 0.301 262 H C 2.196 177.333 175.328 -0.319 0.000 1.074 262 H CA 2.473 58.105 56.048 -0.694 0.000 1.354 262 H CB 0.813 30.138 29.762 -0.728 0.000 1.397 262 H HN 0.256 8.251 8.280 -0.461 0.008 0.516 263 M N -0.137 119.372 119.600 -0.151 0.000 2.080 263 M HA -0.536 nan 4.480 nan 0.000 0.260 263 M C 1.217 177.529 176.300 0.020 0.000 1.068 263 M CA 3.854 59.123 55.300 -0.051 0.000 1.109 263 M CB -0.150 32.546 32.600 0.159 0.000 1.342 263 M HN -0.096 7.925 8.290 -0.152 0.177 0.405 264 Y N 0.217 120.467 120.300 -0.083 0.000 2.114 264 Y HA -0.542 nan 4.550 nan 0.000 0.282 264 Y C 1.569 177.400 175.900 -0.114 0.000 1.165 264 Y CA 4.384 62.422 58.100 -0.103 0.000 1.148 264 Y CB -0.093 38.319 38.460 -0.080 0.000 0.972 264 Y HN -0.088 8.279 8.280 0.144 0.000 0.504 265 F N -4.889 115.036 119.950 -0.042 0.000 2.365 265 F HA -0.296 nan 4.527 nan 0.000 0.300 265 F C 1.363 177.126 175.800 -0.062 0.000 1.090 265 F CA 3.422 61.378 58.000 -0.074 0.000 1.408 265 F CB -0.326 38.554 39.000 -0.199 0.000 1.060 265 F HN -0.709 7.813 8.300 0.371 0.000 0.534 266 M N -2.007 117.609 119.600 0.027 0.000 2.248 266 M HA -0.234 nan 4.480 nan 0.000 0.265 266 M C 2.171 178.538 176.300 0.112 0.000 1.079 266 M CA 3.398 58.714 55.300 0.025 0.000 1.150 266 M CB 0.430 32.911 32.600 -0.199 0.000 1.366 266 M HN -0.632 7.527 8.290 -0.001 0.130 0.433 267 L N -1.853 119.354 121.223 -0.028 0.000 2.275 267 L HA -0.285 nan 4.340 nan 0.000 0.215 267 L C 2.273 179.039 176.870 -0.173 0.000 1.119 267 L CA 2.470 57.262 54.840 -0.080 0.000 0.790 267 L CB -0.782 41.213 42.059 -0.105 0.000 0.919 267 L HN 0.441 8.638 8.230 -0.055 0.000 0.443 268 R N -1.851 118.490 120.500 -0.265 0.000 2.235 268 R HA -0.169 nan 4.340 nan 0.000 0.213 268 R C 1.385 177.563 176.300 -0.204 0.000 1.059 268 R CA 2.575 58.483 56.100 -0.320 0.000 0.997 268 R CB -0.750 29.285 30.300 -0.442 0.000 0.884 268 R HN -0.085 7.999 8.270 -0.266 0.027 0.462 269 T N -4.644 109.845 114.554 -0.108 0.000 3.081 269 T HA 0.120 nan 4.350 nan 0.000 0.250 269 T C -0.265 174.241 174.700 -0.323 0.000 1.100 269 T CA 0.094 62.106 62.100 -0.147 0.000 1.038 269 T CB 0.005 68.878 68.868 0.009 0.000 0.962 269 T HN -0.449 7.629 8.240 -0.023 0.148 0.516 270 V N 3.567 123.354 119.914 -0.212 0.000 2.649 270 V HA 0.098 nan 4.120 nan 0.000 0.292 270 V C -0.837 175.113 176.094 -0.241 0.000 1.055 270 V CA -0.008 62.202 62.300 -0.150 0.000 1.023 270 V CB 0.158 31.961 31.823 -0.033 0.000 0.992 270 V HN -0.719 7.214 8.190 -0.144 0.171 0.480 271 Y N 4.398 124.802 120.300 0.173 0.000 2.310 271 Y HA 0.119 nan 4.550 nan 0.000 0.326 271 Y C -0.578 175.413 175.900 0.152 0.000 1.151 271 Y CA 0.267 58.452 58.100 0.143 0.000 1.195 271 Y CB 0.686 39.221 38.460 0.124 0.000 1.210 271 Y HN 0.205 8.704 8.280 0.365 0.000 0.483 272 C N 1.784 121.230 119.300 0.244 0.000 2.913 272 C HA 0.281 nan 4.460 nan 0.000 0.322 272 C C 0.129 175.175 174.990 0.093 0.000 1.292 272 C CA -1.928 57.202 59.018 0.187 0.000 1.649 272 C CB 2.172 30.089 27.740 0.295 0.000 2.139 272 C HN 0.246 8.613 8.230 0.230 0.000 0.475 273 N N 0.232 118.945 118.700 0.022 0.000 2.278 273 N HA -0.009 nan 4.740 nan 0.000 0.181 273 N C -0.032 175.419 175.510 -0.098 0.000 1.023 273 N CA 1.234 54.264 53.050 -0.034 0.000 0.862 273 N CB 0.314 38.773 38.487 -0.047 0.000 1.003 273 N HN 0.061 8.459 8.380 0.031 0.000 0.431 274 K N 1.122 121.407 120.400 -0.193 0.000 2.436 274 K HA -0.009 nan 4.320 nan 0.000 0.275 274 K C -1.214 175.054 176.600 -0.554 0.000 0.999 274 K CA 0.461 56.474 56.287 -0.457 0.000 0.980 274 K CB 0.867 32.907 32.500 -0.767 0.000 0.919 274 K HN -0.381 7.787 8.250 -0.137 0.000 0.484 275 T N 5.664 119.892 114.554 -0.542 0.000 2.829 275 T HA 0.250 nan 4.350 nan 0.000 0.282 275 T C -0.930 173.437 174.700 -0.556 0.000 0.990 275 T CA -0.089 61.798 62.100 -0.355 0.000 1.028 275 T CB 0.466 69.234 68.868 -0.167 0.000 0.951 275 T HN -0.032 7.921 8.240 -0.479 0.000 0.460 276 F N 4.699 124.600 119.950 -0.081 0.000 2.522 276 F HA 0.494 nan 4.527 nan 0.000 0.324 276 F C -0.589 175.192 175.800 -0.031 0.000 1.077 276 F CA -3.121 54.840 58.000 -0.065 0.000 0.944 276 F CB 0.561 39.519 39.000 -0.071 0.000 1.175 276 F HN 0.001 8.400 8.300 0.166 0.000 0.468 277 P HA 0.018 nan 4.420 nan 0.000 0.222 277 P C -1.044 176.315 177.300 0.097 0.000 1.153 277 P CA 1.122 64.279 63.100 0.095 0.000 0.798 277 P CB 0.470 32.215 31.700 0.074 0.000 0.796 278 T N -6.677 107.949 114.554 0.120 0.000 2.868 278 T HA 0.094 nan 4.350 nan 0.000 0.306 278 T C 0.548 175.279 174.700 0.051 0.000 1.224 278 T CA -1.262 60.888 62.100 0.084 0.000 1.012 278 T CB 3.304 72.223 68.868 0.085 0.000 1.221 278 T HN -0.600 7.712 8.240 0.167 0.029 0.499 279 T N 3.094 117.661 114.554 0.023 0.000 2.720 279 T HA -0.262 nan 4.350 nan 0.000 0.268 279 T C 1.562 176.213 174.700 -0.081 0.000 1.037 279 T CA 3.873 65.933 62.100 -0.066 0.000 1.144 279 T CB -0.125 68.707 68.868 -0.059 0.000 0.864 279 T HN 0.320 8.586 8.240 0.043 0.000 0.444 280 K N 1.400 121.859 120.400 0.098 0.000 2.103 280 K HA -0.356 nan 4.320 nan 0.000 0.207 280 K C 1.610 178.274 176.600 0.106 0.000 1.048 280 K CA 3.003 59.426 56.287 0.226 0.000 0.930 280 K CB -0.409 32.248 32.500 0.262 0.000 0.716 280 K HN 0.089 8.416 8.250 0.134 0.003 0.444 281 A N -1.663 121.176 122.820 0.032 0.000 1.898 281 A HA -0.232 nan 4.320 nan 0.000 0.216 281 A C 1.851 179.241 177.584 -0.323 0.000 1.181 281 A CA 3.097 55.140 52.037 0.010 0.000 0.620 281 A CB -0.822 18.278 19.000 0.166 0.000 0.819 281 A HN -0.335 7.730 8.150 0.050 0.115 0.442 282 K N -0.974 119.024 120.400 -0.669 0.000 2.026 282 K HA -0.307 nan 4.320 nan 0.000 0.208 282 K C 2.074 178.382 176.600 -0.487 0.000 1.048 282 K CA 3.357 58.906 56.287 -1.229 0.000 0.929 282 K CB 0.123 32.122 32.500 -0.836 0.000 0.713 282 K HN -0.649 7.293 8.250 -0.384 0.077 0.439 283 V N -0.009 119.724 119.914 -0.302 0.000 2.287 283 V HA -0.409 nan 4.120 nan 0.000 0.248 283 V C 2.190 178.319 176.094 0.058 0.000 1.053 283 V CA 4.510 66.706 62.300 -0.173 0.000 1.027 283 V CB -0.754 30.837 31.823 -0.387 0.000 0.646 283 V HN 0.004 7.993 8.190 -0.335 0.000 0.447 284 L N -1.676 119.637 121.223 0.149 0.000 2.079 284 L HA -0.449 nan 4.340 nan 0.000 0.210 284 L C 1.939 178.868 176.870 0.098 0.000 1.081 284 L CA 3.222 58.153 54.840 0.151 0.000 0.752 284 L CB -0.319 41.783 42.059 0.071 0.000 0.896 284 L HN -0.253 8.052 8.230 0.126 0.000 0.433 285 F N 0.166 120.077 119.950 -0.066 0.000 2.075 285 F HA -0.433 nan 4.527 nan 0.000 0.297 285 F C 1.483 177.310 175.800 0.044 0.000 1.113 285 F CA 4.165 62.168 58.000 0.004 0.000 1.218 285 F CB 0.213 39.199 39.000 -0.023 0.000 0.984 285 F HN -0.404 7.861 8.300 0.108 0.099 0.472 286 L N -1.833 119.502 121.223 0.186 0.000 2.042 286 L HA -0.548 nan 4.340 nan 0.000 0.210 286 L C 2.093 178.986 176.870 0.038 0.000 1.076 286 L CA 3.406 58.326 54.840 0.133 0.000 0.749 286 L CB -0.512 41.619 42.059 0.120 0.000 0.893 286 L HN 0.388 8.743 8.230 0.208 0.000 0.432 287 Q N -1.149 118.672 119.800 0.035 0.000 2.050 287 Q HA -0.451 nan 4.340 nan 0.000 0.202 287 Q C 2.131 178.117 176.000 -0.022 0.000 0.980 287 Q CA 3.756 59.569 55.803 0.017 0.000 0.840 287 Q CB -0.196 28.556 28.738 0.025 0.000 0.898 287 Q HN 0.258 8.561 8.270 0.055 0.000 0.424 288 Q N -0.170 119.588 119.800 -0.070 0.000 2.061 288 Q HA -0.328 nan 4.340 nan 0.000 0.204 288 Q C 2.359 178.355 176.000 -0.007 0.000 0.984 288 Q CA 3.109 58.875 55.803 -0.062 0.000 0.846 288 Q CB -0.661 28.017 28.738 -0.099 0.000 0.902 288 Q HN -0.129 8.104 8.270 -0.061 0.000 0.421 289 S N 0.462 116.106 115.700 -0.094 0.000 2.359 289 S HA -0.281 nan 4.470 nan 0.000 0.224 289 S C 2.384 177.074 174.600 0.149 0.000 1.035 289 S CA 3.782 61.980 58.200 -0.003 0.000 1.018 289 S CB -0.252 62.907 63.200 -0.070 0.000 0.876 289 S HN -0.255 7.939 8.310 -0.194 0.000 0.448 290 I N 1.943 122.533 120.570 0.034 0.000 2.179 290 I HA -0.489 nan 4.170 nan 0.000 0.242 290 I C 1.805 177.966 176.117 0.072 0.000 1.088 290 I CA 4.140 65.340 61.300 -0.167 0.000 1.357 290 I CB -0.006 37.881 38.000 -0.188 0.000 1.051 290 I HN 0.015 8.173 8.210 0.033 0.072 0.409 291 F N -1.329 118.577 119.950 -0.075 0.000 2.134 291 F HA -0.368 nan 4.527 nan 0.000 0.299 291 F C 2.153 177.951 175.800 -0.003 0.000 1.097 291 F CA 3.450 61.430 58.000 -0.033 0.000 1.264 291 F CB -0.811 38.186 39.000 -0.006 0.000 1.001 291 F HN 0.209 8.832 8.300 0.539 0.000 0.479 292 R N -0.194 120.423 120.500 0.196 0.000 2.073 292 R HA -0.366 nan 4.340 nan 0.000 0.234 292 R C 2.818 179.158 176.300 0.067 0.000 1.134 292 R CA 3.454 59.619 56.100 0.109 0.000 0.952 292 R CB -0.371 29.986 30.300 0.095 0.000 0.850 292 R HN 0.004 8.403 8.270 0.214 0.000 0.433 293 F N 1.481 121.438 119.950 0.012 0.000 2.095 293 F HA -0.293 nan 4.527 nan 0.000 0.298 293 F C 0.922 176.656 175.800 -0.109 0.000 1.104 293 F CA 3.210 61.214 58.000 0.007 0.000 1.232 293 F CB 0.336 39.423 39.000 0.145 0.000 0.987 293 F HN -0.421 8.058 8.300 0.298 0.000 0.475 294 L N -3.490 117.718 121.223 -0.024 0.000 2.610 294 L HA -0.141 nan 4.340 nan 0.000 0.232 294 L C 0.066 176.659 176.870 -0.461 0.000 1.149 294 L CA 0.172 54.852 54.840 -0.265 0.000 0.872 294 L CB 0.049 41.993 42.059 -0.191 0.000 0.992 294 L HN -0.340 7.945 8.230 0.091 0.000 0.447 295 N N -2.148 116.396 118.700 -0.261 0.000 2.780 295 N HA -0.387 nan 4.740 nan 0.000 0.248 295 N C -0.517 175.021 175.510 0.047 0.000 1.102 295 N CA 0.670 53.634 53.050 -0.144 0.000 0.697 295 N CB -0.532 37.806 38.487 -0.248 0.000 1.028 295 N HN -0.499 7.582 8.380 -0.173 0.196 0.554 296 I N 0.911 121.485 120.570 0.005 0.000 2.312 296 I HA 0.159 nan 4.170 nan 0.000 0.290 296 I C -2.168 174.054 176.117 0.174 0.000 1.008 296 I CA -2.359 58.958 61.300 0.028 0.000 1.226 296 I CB 0.339 38.107 38.000 -0.387 0.000 1.371 296 I HN -0.093 8.082 8.210 -0.058 0.000 0.468 297 P HA 0.000 nan 4.420 nan 0.000 0.216 297 P CA 0.000 63.202 63.100 0.170 0.000 0.800 297 P CB 0.000 31.774 31.700 0.123 0.000 0.726