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 1x2h_1_A DATA FIRST_RESID 1 DATA SEQUENCE STLRLLISDS YDPWFNLAVE ECIFRQXPAT QRVLFLWRNA DTVVIGRAQN DATA SEQUENCE PWKECNTRRX EEDNVRLARR SSGGGAVFHD LGNTCFTFXA GKPEYDKTIS DATA SEQUENCE TSIVLNALNA LGVSAEASGR NDLVVKTVEG DRKVSGSAYR ETKDRGFHHG DATA SEQUENCE TLLLNADLSR LANYLNPDKK KLAAKXXXXX XXRVTNLTEL LPGITHEQVC DATA SEQUENCE EAITEAFFAH YGERVEAEII SPNKTPDLPN FAETFARQSS WEWNFGQAPA DATA SEQUENCE FSHLLDERFT WGGVELHFDV EKGHITRAQV FTDSLNPAPL EALAGRLQGC DATA SEQUENCE LYRADXLQQE CEALLVDFPE QEKELRELSA WXAGAVR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.586 174.600 -0.023 0.000 1.055 1 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 1 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 2 T N 0.815 115.347 114.554 -0.036 0.000 2.567 2 T HA -0.180 4.170 4.350 -0.000 0.000 0.261 2 T C 0.886 175.561 174.700 -0.042 0.000 1.123 2 T CA 2.043 64.113 62.100 -0.050 0.000 1.166 2 T CB -1.231 67.592 68.868 -0.076 0.000 0.860 2 T HN 0.551 nan 8.240 nan 0.000 0.436 3 L N 2.228 123.428 121.223 -0.039 0.000 2.349 3 L HA 0.460 4.800 4.340 -0.000 0.000 0.275 3 L C 0.519 177.461 176.870 0.121 0.000 1.115 3 L CA -0.707 54.163 54.840 0.050 0.000 0.820 3 L CB 0.669 42.757 42.059 0.049 0.000 1.135 3 L HN 0.288 nan 8.230 nan 0.000 0.445 4 R N 3.522 124.128 120.500 0.177 0.000 2.637 4 R HA 0.620 4.960 4.340 -0.000 0.000 0.291 4 R C -1.191 175.236 176.300 0.211 0.000 0.963 4 R CA -0.969 55.218 56.100 0.144 0.000 0.901 4 R CB 2.576 32.917 30.300 0.068 0.000 1.160 4 R HN 0.386 nan 8.270 nan 0.000 0.457 5 L N 3.691 125.033 121.223 0.199 0.000 2.377 5 L HA 0.441 4.780 4.340 -0.000 0.000 0.270 5 L C -1.477 175.466 176.870 0.121 0.000 0.991 5 L CA -0.332 54.617 54.840 0.182 0.000 0.851 5 L CB 1.102 43.351 42.059 0.317 0.000 1.218 5 L HN 0.494 nan 8.230 nan 0.000 0.420 6 L N 5.912 127.203 121.223 0.113 0.000 2.296 6 L HA 0.601 4.941 4.340 -0.000 0.000 0.286 6 L C -0.776 176.300 176.870 0.345 0.000 1.023 6 L CA -0.718 54.221 54.840 0.165 0.000 0.812 6 L CB 1.690 43.762 42.059 0.023 0.000 1.223 6 L HN 0.411 nan 8.230 nan 0.000 0.421 7 I N 2.251 122.988 120.570 0.279 0.000 2.420 7 I HA 0.198 4.368 4.170 -0.000 0.000 0.282 7 I C 0.337 176.658 176.117 0.339 0.000 1.019 7 I CA -0.115 61.344 61.300 0.265 0.000 1.130 7 I CB 1.519 39.601 38.000 0.137 0.000 1.262 7 I HN 0.584 nan 8.210 nan 0.000 0.454 8 S N 3.804 119.801 115.700 0.495 0.000 2.564 8 S HA 0.131 4.601 4.470 -0.000 0.000 0.278 8 S C 0.361 175.138 174.600 0.296 0.000 1.333 8 S CA 0.010 58.499 58.200 0.482 0.000 1.048 8 S CB 0.405 63.983 63.200 0.630 0.000 0.900 8 S HN 0.565 nan 8.310 nan 0.000 0.505 9 D N 2.073 122.573 120.400 0.168 0.000 2.892 9 D HA 0.329 4.969 4.640 -0.000 0.000 0.291 9 D C -0.798 175.441 176.300 -0.102 0.000 1.341 9 D CA -0.022 54.014 54.000 0.060 0.000 0.844 9 D CB 0.198 41.004 40.800 0.009 0.000 1.093 9 D HN 0.331 nan 8.370 nan 0.000 0.480 10 S N -0.349 115.324 115.700 -0.045 0.000 2.566 10 S HA 0.223 4.693 4.470 -0.000 0.000 0.273 10 S C -0.471 174.159 174.600 0.050 0.000 1.157 10 S CA -0.618 57.456 58.200 -0.211 0.000 0.938 10 S CB 0.356 63.388 63.200 -0.279 0.000 1.087 10 S HN 0.028 nan 8.310 nan 0.000 0.474 11 Y N 1.336 121.642 120.300 0.010 0.000 2.466 11 Y HA 0.296 4.846 4.550 -0.000 0.000 0.272 11 Y C 1.079 176.965 175.900 -0.025 0.000 1.169 11 Y CA -0.885 57.211 58.100 -0.007 0.000 1.285 11 Y CB -0.415 38.022 38.460 -0.039 0.000 1.078 11 Y HN 0.620 nan 8.280 nan 0.000 0.523 12 D N 3.611 124.089 120.400 0.130 0.000 2.349 12 D HA -0.009 4.630 4.640 -0.000 0.000 0.266 12 D C -1.703 174.622 176.300 0.041 0.000 1.293 12 D CA -1.603 52.466 54.000 0.115 0.000 0.926 12 D CB 1.296 42.233 40.800 0.228 0.000 1.090 12 D HN 0.119 nan 8.370 nan 0.000 0.502 13 P HA -0.024 nan 4.420 nan 0.000 0.241 13 P C 1.118 178.178 177.300 -0.400 0.000 1.191 13 P CA 0.433 63.273 63.100 -0.434 0.000 0.771 13 P CB 0.130 31.407 31.700 -0.706 0.000 0.929 14 W N -1.332 120.070 121.300 0.171 0.000 2.539 14 W HA 0.085 4.745 4.660 -0.000 0.000 0.281 14 W C 2.091 178.766 176.519 0.259 0.000 1.220 14 W CA -0.096 57.402 57.345 0.254 0.000 1.332 14 W CB -1.457 28.219 29.460 0.360 0.000 1.095 14 W HN -0.085 nan 8.180 nan 0.000 0.571 15 F N 2.815 122.895 119.950 0.216 0.000 2.075 15 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 15 F C 2.067 177.774 175.800 -0.155 0.000 1.113 15 F CA 1.992 59.779 58.000 -0.355 0.000 1.218 15 F CB -0.743 38.035 39.000 -0.371 0.000 0.984 15 F HN -0.281 nan 8.300 nan 0.000 0.472 16 N N 0.883 119.567 118.700 -0.026 0.000 2.104 16 N HA -0.213 4.526 4.740 -0.000 0.000 0.190 16 N C 2.141 177.409 175.510 -0.402 0.000 1.024 16 N CA 1.646 54.563 53.050 -0.223 0.000 0.853 16 N CB -0.759 37.567 38.487 -0.268 0.000 1.008 16 N HN 0.383 nan 8.380 nan 0.000 0.424 17 L N 0.839 121.874 121.223 -0.313 0.000 2.046 17 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 17 L C 2.380 179.155 176.870 -0.160 0.000 1.077 17 L CA 1.063 55.764 54.840 -0.233 0.000 0.747 17 L CB -0.374 41.628 42.059 -0.095 0.000 0.896 17 L HN 0.113 nan 8.230 nan 0.000 0.432 18 A N -0.590 122.135 122.820 -0.159 0.000 1.865 18 A HA -0.215 4.104 4.320 -0.000 0.000 0.217 18 A C 2.258 179.737 177.584 -0.175 0.000 1.191 18 A CA 2.074 53.996 52.037 -0.192 0.000 0.623 18 A CB -1.043 17.759 19.000 -0.331 0.000 0.826 18 A HN 0.225 nan 8.150 nan 0.000 0.444 19 V N 0.017 119.764 119.914 -0.279 0.000 2.278 19 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 19 V C 2.490 178.429 176.094 -0.259 0.000 1.062 19 V CA 2.525 64.597 62.300 -0.380 0.000 1.038 19 V CB -0.819 30.470 31.823 -0.890 0.000 0.646 19 V HN 0.666 nan 8.190 nan 0.000 0.447 20 E N -0.796 119.321 120.200 -0.138 0.000 2.110 20 E HA -0.274 4.075 4.350 -0.000 0.000 0.193 20 E C 2.244 178.928 176.600 0.141 0.000 0.988 20 E CA 1.428 57.902 56.400 0.122 0.000 0.804 20 E CB 0.002 29.792 29.700 0.150 0.000 0.745 20 E HN 0.587 nan 8.360 nan 0.000 0.458 21 E N -0.281 119.927 120.200 0.013 0.000 2.112 21 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 21 E C 1.936 178.566 176.600 0.050 0.000 0.979 21 E CA 0.643 57.051 56.400 0.013 0.000 0.814 21 E CB -0.095 29.574 29.700 -0.052 0.000 0.762 21 E HN 0.202 nan 8.360 nan 0.000 0.460 22 C N 0.081 119.389 119.300 0.013 0.000 2.401 22 C HA -0.143 4.317 4.460 -0.000 0.000 0.276 22 C C 2.500 177.519 174.990 0.048 0.000 1.233 22 C CA 0.662 59.694 59.018 0.025 0.000 1.753 22 C CB -0.933 26.834 27.740 0.045 0.000 2.029 22 C HN 0.446 nan 8.230 nan 0.000 0.478 23 I N -0.453 120.177 120.570 0.098 0.000 2.202 23 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 23 I C 2.291 178.562 176.117 0.257 0.000 1.091 23 I CA 1.534 62.936 61.300 0.169 0.000 1.368 23 I CB -0.461 37.695 38.000 0.260 0.000 1.058 23 I HN 0.245 nan 8.210 nan 0.000 0.410 24 F N 2.061 122.093 119.950 0.137 0.000 2.171 24 F HA -0.231 4.296 4.527 -0.001 0.000 0.300 24 F C 2.459 178.242 175.800 -0.028 0.000 1.090 24 F CA 1.863 59.863 58.000 0.001 0.000 1.293 24 F CB -0.083 38.690 39.000 -0.377 0.000 1.013 24 F HN 0.042 nan 8.300 nan 0.000 0.486 25 R N -1.681 118.780 120.500 -0.065 0.000 2.556 25 R HA 0.232 4.572 4.340 -0.000 0.000 0.276 25 R C 0.288 176.533 176.300 -0.092 0.000 0.931 25 R CA -0.308 55.692 56.100 -0.167 0.000 1.061 25 R CB -0.041 30.192 30.300 -0.111 0.000 1.432 25 R HN 0.112 nan 8.270 nan 0.000 0.547 29 A N 0.496 123.303 122.820 -0.021 0.000 2.176 29 A HA 0.182 4.502 4.320 -0.000 0.000 0.214 29 A C 1.364 178.945 177.584 -0.005 0.000 1.327 29 A CA 1.495 53.526 52.037 -0.011 0.000 1.015 29 A CB -0.686 18.310 19.000 -0.007 0.000 0.818 29 A HN 0.596 nan 8.150 nan 0.000 0.500 30 T N -0.395 114.154 114.554 -0.009 0.000 3.054 30 T HA 0.045 4.395 4.350 -0.000 0.000 0.259 30 T C 0.958 175.648 174.700 -0.016 0.000 1.092 30 T CA 0.546 62.641 62.100 -0.008 0.000 1.121 30 T CB -0.142 68.721 68.868 -0.009 0.000 0.912 30 T HN 0.569 nan 8.240 nan 0.000 0.489 31 Q N 1.157 120.948 119.800 -0.016 0.000 2.212 31 Q HA 0.500 4.840 4.340 -0.000 0.000 0.238 31 Q C -0.630 175.354 176.000 -0.028 0.000 0.955 31 Q CA -0.277 55.516 55.803 -0.018 0.000 0.906 31 Q CB 1.210 29.946 28.738 -0.003 0.000 1.215 31 Q HN 0.108 nan 8.270 nan 0.000 0.478 32 R N 0.090 120.573 120.500 -0.028 0.000 2.393 32 R HA 0.518 4.858 4.340 -0.000 0.000 0.315 32 R C -1.072 175.329 176.300 0.169 0.000 0.952 32 R CA -0.343 55.755 56.100 -0.003 0.000 0.842 32 R CB 1.621 31.777 30.300 -0.240 0.000 1.163 32 R HN 0.247 nan 8.270 nan 0.000 0.450 33 V N 4.581 124.572 119.914 0.130 0.000 2.448 33 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 33 V C -0.989 175.044 176.094 -0.101 0.000 1.025 33 V CA -0.910 61.430 62.300 0.067 0.000 0.859 33 V CB 1.755 33.593 31.823 0.025 0.000 0.988 33 V HN 0.513 nan 8.190 nan 0.000 0.431 34 L N 5.631 126.651 121.223 -0.339 0.000 2.322 34 L HA 0.752 5.092 4.340 -0.000 0.000 0.281 34 L C -1.281 175.463 176.870 -0.210 0.000 1.014 34 L CA -0.159 54.290 54.840 -0.652 0.000 0.815 34 L CB 1.432 42.654 42.059 -1.396 0.000 1.247 34 L HN 0.548 nan 8.230 nan 0.000 0.421 35 F N 6.162 125.930 119.950 -0.304 0.000 2.518 35 F HA 0.728 5.255 4.527 -0.000 0.000 0.323 35 F C -1.829 174.019 175.800 0.080 0.000 1.129 35 F CA -1.418 56.553 58.000 -0.049 0.000 0.920 35 F CB 1.401 40.423 39.000 0.037 0.000 1.160 35 F HN 0.356 nan 8.300 nan 0.000 0.440 36 L N 7.424 128.570 121.223 -0.128 0.000 2.381 36 L HA 0.560 4.900 4.340 -0.000 0.000 0.274 36 L C -1.106 175.674 176.870 -0.149 0.000 0.988 36 L CA -0.496 54.194 54.840 -0.249 0.000 0.824 36 L CB 1.521 43.480 42.059 -0.168 0.000 1.263 36 L HN 0.712 nan 8.230 nan 0.000 0.410 37 W N 2.726 123.807 121.300 -0.366 0.000 3.018 37 W HA 0.820 5.480 4.660 -0.000 0.000 0.382 37 W C -1.374 175.074 176.519 -0.119 0.000 1.161 37 W CA -1.141 56.062 57.345 -0.236 0.000 1.144 37 W CB 1.744 30.902 29.460 -0.503 0.000 1.499 37 W HN 0.583 nan 8.180 nan 0.000 0.596 38 R N 0.801 121.410 120.500 0.182 0.000 2.664 38 R HA 0.419 4.759 4.340 -0.000 0.000 0.260 38 R C -1.516 174.844 176.300 0.100 0.000 1.062 38 R CA -0.804 55.273 56.100 -0.038 0.000 0.902 38 R CB 0.985 31.030 30.300 -0.424 0.000 1.258 38 R HN 0.325 nan 8.270 nan 0.000 0.465 39 N N 0.742 119.457 118.700 0.025 0.000 2.417 39 N HA 0.483 5.223 4.740 -0.000 0.000 0.300 39 N C -0.196 175.220 175.510 -0.158 0.000 1.102 39 N CA -0.397 52.614 53.050 -0.064 0.000 0.886 39 N CB 1.903 40.249 38.487 -0.235 0.000 1.203 39 N HN 0.776 nan 8.380 nan 0.000 0.496 40 A N 0.731 123.486 122.820 -0.108 0.000 2.261 40 A HA 0.062 4.381 4.320 -0.000 0.000 0.275 40 A C -0.088 177.371 177.584 -0.209 0.000 1.246 40 A CA -0.127 51.827 52.037 -0.139 0.000 0.810 40 A CB -0.158 18.837 19.000 -0.009 0.000 1.168 40 A HN 0.627 nan 8.150 nan 0.000 0.506 41 D N 0.839 121.136 120.400 -0.172 0.000 2.434 41 D HA 0.302 4.942 4.640 -0.000 0.000 0.252 41 D C -0.501 175.655 176.300 -0.241 0.000 1.185 41 D CA 1.232 55.091 54.000 -0.235 0.000 0.886 41 D CB 0.215 41.011 40.800 -0.006 0.000 1.148 41 D HN 0.368 nan 8.370 nan 0.000 0.483 42 T N 0.876 115.186 114.554 -0.407 0.000 3.041 42 T HA 0.250 4.599 4.350 -0.000 0.000 0.321 42 T C -0.278 174.374 174.700 -0.080 0.000 1.184 42 T CA -0.676 61.279 62.100 -0.242 0.000 1.050 42 T CB 1.788 70.454 68.868 -0.337 0.000 1.159 42 T HN -0.017 nan 8.240 nan 0.000 0.469 43 V N 2.974 122.898 119.914 0.017 0.000 2.427 43 V HA 0.560 4.680 4.120 -0.000 0.000 0.286 43 V C -0.159 175.920 176.094 -0.026 0.000 1.034 43 V CA -0.660 61.691 62.300 0.084 0.000 0.893 43 V CB 1.618 33.474 31.823 0.056 0.000 0.982 43 V HN 0.732 nan 8.190 nan 0.000 0.452 44 V N 6.439 126.363 119.914 0.016 0.000 2.384 44 V HA 0.503 4.623 4.120 -0.000 0.000 0.287 44 V C -0.027 176.051 176.094 -0.027 0.000 1.020 44 V CA -0.454 61.828 62.300 -0.029 0.000 0.850 44 V CB 1.456 33.281 31.823 0.004 0.000 0.987 44 V HN 0.811 nan 8.190 nan 0.000 0.436 45 I N 1.900 122.419 120.570 -0.085 0.000 2.664 45 I HA 0.920 5.090 4.170 -0.000 0.000 0.308 45 I C 0.811 176.891 176.117 -0.062 0.000 0.984 45 I CA -0.414 60.835 61.300 -0.085 0.000 1.213 45 I CB 1.317 39.224 38.000 -0.155 0.000 1.379 45 I HN 0.596 nan 8.210 nan 0.000 0.501 46 G N 2.331 111.114 108.800 -0.028 0.000 2.606 46 G HA2 0.217 4.176 3.960 -0.000 0.000 0.252 46 G HA3 0.217 4.176 3.960 -0.000 0.000 0.252 46 G C 0.714 175.601 174.900 -0.021 0.000 1.206 46 G CA -0.697 44.405 45.100 0.003 0.000 0.861 46 G HN 0.965 nan 8.290 nan 0.000 0.561 47 R N -0.472 120.044 120.500 0.027 0.000 2.285 47 R HA 0.163 4.502 4.340 -0.000 0.000 0.213 47 R C 1.277 177.580 176.300 0.006 0.000 1.068 47 R CA 1.392 57.497 56.100 0.009 0.000 1.004 47 R CB 0.074 30.487 30.300 0.190 0.000 0.873 47 R HN 0.341 nan 8.270 nan 0.000 0.467 48 A N 0.821 123.676 122.820 0.057 0.000 2.594 48 A HA 0.223 4.543 4.320 -0.000 0.000 0.287 48 A C -0.283 177.445 177.584 0.241 0.000 1.227 48 A CA -0.612 51.491 52.037 0.111 0.000 0.952 48 A CB 0.256 19.304 19.000 0.080 0.000 1.161 48 A HN 0.299 nan 8.150 nan 0.000 0.524 49 Q N 0.254 120.153 119.800 0.164 0.000 2.221 49 Q HA 0.259 4.599 4.340 -0.000 0.000 0.242 49 Q C -0.779 175.289 176.000 0.114 0.000 0.940 49 Q CA -0.743 55.145 55.803 0.143 0.000 0.896 49 Q CB 1.182 29.922 28.738 0.003 0.000 1.226 49 Q HN 0.367 nan 8.270 nan 0.000 0.463 50 N N 2.037 120.636 118.700 -0.169 0.000 2.501 50 N HA 0.170 4.910 4.740 -0.000 0.000 0.245 50 N C -2.109 173.251 175.510 -0.249 0.000 0.974 50 N CA -2.241 50.520 53.050 -0.481 0.000 0.941 50 N CB 1.139 38.892 38.487 -1.224 0.000 1.122 50 N HN 0.243 nan 8.380 nan 0.000 0.507 51 P HA -0.022 nan 4.420 nan 0.000 0.225 51 P C 0.616 177.749 177.300 -0.278 0.000 1.156 51 P CA 0.849 63.746 63.100 -0.338 0.000 0.787 51 P CB 0.070 31.420 31.700 -0.583 0.000 0.802 52 W N 0.963 122.250 121.300 -0.022 0.000 2.467 52 W HA 0.133 4.792 4.660 -0.000 0.000 0.275 52 W C 2.623 179.127 176.519 -0.025 0.000 1.239 52 W CA 0.436 57.786 57.345 0.010 0.000 1.266 52 W CB -0.637 28.827 29.460 0.007 0.000 1.112 52 W HN -0.049 nan 8.180 nan 0.000 0.576 53 K N 0.848 121.314 120.400 0.109 0.000 2.029 53 K HA -0.123 4.196 4.320 -0.000 0.000 0.205 53 K C 1.931 178.547 176.600 0.026 0.000 1.042 53 K CA 1.260 57.582 56.287 0.058 0.000 0.949 53 K CB -0.159 32.349 32.500 0.014 0.000 0.740 53 K HN -0.044 nan 8.250 nan 0.000 0.442 54 E N 0.429 120.617 120.200 -0.020 0.000 2.058 54 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 54 E C 1.026 177.618 176.600 -0.013 0.000 0.997 54 E CA 0.862 57.247 56.400 -0.025 0.000 0.801 54 E CB -0.243 29.429 29.700 -0.048 0.000 0.746 54 E HN 0.312 nan 8.360 nan 0.000 0.450 55 C N 1.700 120.986 119.300 -0.024 0.000 2.391 55 C HA 0.361 4.821 4.460 -0.000 0.000 0.339 55 C C 0.568 175.590 174.990 0.052 0.000 1.205 55 C CA -1.394 57.628 59.018 0.006 0.000 1.937 55 C CB 0.508 28.232 27.740 -0.027 0.000 2.341 55 C HN 0.193 nan 8.230 nan 0.000 0.516 56 N N 1.458 120.207 118.700 0.082 0.000 2.508 56 N HA 0.067 4.806 4.740 -0.000 0.000 0.253 56 N C 1.304 176.899 175.510 0.142 0.000 1.145 56 N CA 0.203 53.314 53.050 0.101 0.000 0.973 56 N CB 0.812 39.342 38.487 0.072 0.000 1.305 56 N HN 0.935 nan 8.380 nan 0.000 0.506 57 T N 1.021 115.656 114.554 0.134 0.000 2.904 57 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 57 T C 1.836 176.632 174.700 0.161 0.000 1.059 57 T CA 0.584 62.769 62.100 0.142 0.000 1.137 57 T CB 0.056 68.994 68.868 0.117 0.000 0.879 57 T HN 0.307 nan 8.240 nan 0.000 0.467 58 R N 2.138 122.730 120.500 0.153 0.000 2.082 58 R HA 0.090 4.429 4.340 -0.000 0.000 0.234 58 R C 1.563 177.946 176.300 0.138 0.000 1.136 58 R CA 1.280 57.459 56.100 0.132 0.000 0.935 58 R CB -1.041 29.324 30.300 0.108 0.000 0.842 58 R HN 0.547 nan 8.270 nan 0.000 0.430 62 E N 1.256 121.525 120.200 0.115 0.000 2.113 62 E HA -0.241 4.109 4.350 -0.000 0.000 0.210 62 E C 0.630 177.299 176.600 0.115 0.000 1.040 62 E CA 1.954 58.416 56.400 0.105 0.000 0.847 62 E CB -0.033 29.729 29.700 0.102 0.000 0.755 62 E HN 0.169 nan 8.360 nan 0.000 0.459 63 D N -0.429 120.063 120.400 0.154 0.000 2.328 63 D HA 0.040 4.679 4.640 -0.000 0.000 0.226 63 D C -0.505 175.853 176.300 0.098 0.000 1.066 63 D CA 0.146 54.239 54.000 0.155 0.000 0.861 63 D CB -0.241 40.730 40.800 0.284 0.000 0.912 63 D HN 0.241 nan 8.370 nan 0.000 0.521 64 N N -0.319 118.432 118.700 0.085 0.000 2.758 64 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 64 N C -0.878 174.660 175.510 0.046 0.000 1.076 64 N CA -0.212 52.883 53.050 0.075 0.000 0.696 64 N CB -1.102 37.432 38.487 0.078 0.000 0.979 64 N HN 0.003 nan 8.380 nan 0.000 0.550 65 V N 0.962 120.873 119.914 -0.005 0.000 2.370 65 V HA 0.284 4.404 4.120 -0.000 0.000 0.279 65 V C 0.927 177.017 176.094 -0.007 0.000 1.029 65 V CA -0.532 61.723 62.300 -0.076 0.000 0.870 65 V CB 1.465 33.071 31.823 -0.362 0.000 0.984 65 V HN 0.180 nan 8.190 nan 0.000 0.451 66 R N 3.021 123.522 120.500 0.002 0.000 2.643 66 R HA 0.448 4.788 4.340 -0.000 0.000 0.270 66 R C -0.561 175.744 176.300 0.008 0.000 1.061 66 R CA -0.349 55.788 56.100 0.063 0.000 1.107 66 R CB 0.557 30.780 30.300 -0.129 0.000 0.999 66 R HN 0.579 nan 8.270 nan 0.000 0.460 67 L N 1.523 122.811 121.223 0.109 0.000 2.334 67 L HA 0.702 5.042 4.340 -0.000 0.000 0.276 67 L C -1.131 175.783 176.870 0.073 0.000 1.014 67 L CA -0.063 54.722 54.840 -0.092 0.000 0.815 67 L CB 1.839 43.600 42.059 -0.497 0.000 1.268 67 L HN 0.790 nan 8.230 nan 0.000 0.428 68 A N 4.621 127.402 122.820 -0.065 0.000 2.517 68 A HA 0.646 4.966 4.320 -0.000 0.000 0.297 68 A C -1.262 176.271 177.584 -0.086 0.000 1.050 68 A CA -0.724 51.360 52.037 0.079 0.000 0.694 68 A CB 1.308 20.268 19.000 -0.066 0.000 1.277 68 A HN 0.685 nan 8.150 nan 0.000 0.400 69 R N 2.103 122.531 120.500 -0.119 0.000 2.229 69 R HA 0.408 4.748 4.340 -0.000 0.000 0.332 69 R C 0.527 176.888 176.300 0.102 0.000 0.989 69 R CA -0.555 55.404 56.100 -0.235 0.000 0.842 69 R CB 0.706 30.535 30.300 -0.784 0.000 1.119 69 R HN 0.965 nan 8.270 nan 0.000 0.456 70 R N 1.672 122.231 120.500 0.097 0.000 2.652 70 R HA 0.140 4.480 4.340 -0.000 0.000 0.272 70 R C 0.171 176.653 176.300 0.303 0.000 1.162 70 R CA 0.069 56.277 56.100 0.180 0.000 1.199 70 R CB 0.549 30.896 30.300 0.078 0.000 1.166 70 R HN 0.624 nan 8.270 nan 0.000 0.597 71 S N -1.360 114.479 115.700 0.231 0.000 2.557 71 S HA 0.067 4.537 4.470 -0.000 0.000 0.223 71 S C 0.258 174.934 174.600 0.127 0.000 0.969 71 S CA -0.241 58.116 58.200 0.261 0.000 0.927 71 S CB -0.119 63.145 63.200 0.105 0.000 0.806 71 S HN 0.667 nan 8.310 nan 0.000 0.489 72 S N 0.251 115.993 115.700 0.070 0.000 2.722 72 S HA 0.835 5.304 4.470 -0.000 0.000 0.292 72 S C 0.779 175.411 174.600 0.054 0.000 1.135 72 S CA -0.392 57.823 58.200 0.025 0.000 1.003 72 S CB 0.742 63.933 63.200 -0.016 0.000 1.067 72 S HN 0.394 nan 8.310 nan 0.000 0.546 73 G N -0.205 108.624 108.800 0.049 0.000 2.468 73 G HA2 0.541 4.501 3.960 -0.000 0.000 0.264 73 G HA3 0.541 4.501 3.960 -0.000 0.000 0.264 73 G C 0.748 175.683 174.900 0.059 0.000 1.460 73 G CA -0.220 44.916 45.100 0.060 0.000 1.060 73 G HN 1.971 nan 8.290 nan 0.000 0.543 74 G N -2.352 106.488 108.800 0.067 0.000 2.741 74 G HA2 0.398 4.358 3.960 -0.000 0.000 0.222 74 G HA3 0.398 4.358 3.960 -0.000 0.000 0.222 74 G C 0.451 175.380 174.900 0.048 0.000 1.364 74 G CA 0.095 45.233 45.100 0.063 0.000 0.866 74 G HN 1.745 nan 8.290 nan 0.000 0.555 75 G N -0.994 107.830 108.800 0.040 0.000 2.702 75 G HA2 0.884 4.844 3.960 -0.000 0.000 0.254 75 G HA3 0.884 4.844 3.960 -0.000 0.000 0.254 75 G C 0.428 175.339 174.900 0.018 0.000 1.380 75 G CA 0.482 45.597 45.100 0.026 0.000 1.042 75 G HN 2.136 nan 8.290 nan 0.000 0.557 76 A N -1.520 121.308 122.820 0.012 0.000 2.316 76 A HA 0.656 4.976 4.320 -0.000 0.000 0.284 76 A C -0.678 176.930 177.584 0.040 0.000 1.115 76 A CA -0.271 51.777 52.037 0.018 0.000 0.812 76 A CB 1.112 20.119 19.000 0.012 0.000 1.064 76 A HN 0.943 nan 8.150 nan 0.000 0.489 77 V N 1.922 121.876 119.914 0.066 0.000 2.808 77 V HA 0.427 4.547 4.120 -0.000 0.000 0.308 77 V C -1.152 175.031 176.094 0.148 0.000 1.099 77 V CA -0.422 61.918 62.300 0.066 0.000 0.920 77 V CB 1.778 33.624 31.823 0.039 0.000 1.014 77 V HN 0.853 nan 8.190 nan 0.000 0.425 78 F N 3.944 123.846 119.950 -0.079 0.000 2.399 78 F HA 0.663 5.190 4.527 -0.001 0.000 0.328 78 F C 0.086 175.783 175.800 -0.172 0.000 1.084 78 F CA -0.275 57.691 58.000 -0.057 0.000 1.053 78 F CB 1.089 40.067 39.000 -0.037 0.000 1.209 78 F HN 0.484 nan 8.300 nan 0.000 0.502 79 H N 2.354 120.863 119.070 -0.936 0.000 2.717 79 H HA 0.343 4.899 4.556 -0.000 0.000 0.366 79 H C -1.342 173.383 175.328 -1.005 0.000 1.132 79 H CA -0.681 54.940 56.048 -0.713 0.000 1.180 79 H CB 2.096 31.594 29.762 -0.440 0.000 1.678 79 H HN 0.615 nan 8.280 nan 0.000 0.537 80 D N 0.679 120.799 120.400 -0.467 0.000 2.636 80 D HA 0.167 4.807 4.640 -0.000 0.000 0.275 80 D C 0.983 177.126 176.300 -0.262 0.000 1.130 80 D CA -0.868 52.928 54.000 -0.340 0.000 1.031 80 D CB 0.973 41.660 40.800 -0.189 0.000 1.451 80 D HN 0.277 nan 8.370 nan 0.000 0.505 81 L N -0.153 120.902 121.223 -0.279 0.000 2.263 81 L HA -0.001 4.339 4.340 -0.000 0.000 0.216 81 L C 2.097 178.801 176.870 -0.278 0.000 1.111 81 L CA 1.601 56.225 54.840 -0.359 0.000 0.773 81 L CB -0.537 41.278 42.059 -0.406 0.000 0.906 81 L HN 0.739 nan 8.230 nan 0.000 0.439 82 G N -0.794 107.894 108.800 -0.186 0.000 2.956 82 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.207 82 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.207 82 G C 0.112 174.929 174.900 -0.139 0.000 1.162 82 G CA -0.173 44.849 45.100 -0.131 0.000 0.796 82 G HN 0.349 nan 8.290 nan 0.000 0.527 83 N N 0.020 118.605 118.700 -0.192 0.000 2.408 83 N HA 0.460 5.200 4.740 -0.000 0.000 0.280 83 N C -0.657 174.708 175.510 -0.242 0.000 1.002 83 N CA -0.170 52.756 53.050 -0.207 0.000 0.907 83 N CB 1.757 40.087 38.487 -0.262 0.000 1.161 83 N HN -0.168 nan 8.380 nan 0.000 0.488 84 T N 1.362 115.811 114.554 -0.175 0.000 2.867 84 T HA 0.532 4.882 4.350 -0.000 0.000 0.282 84 T C -0.562 173.953 174.700 -0.308 0.000 1.000 84 T CA -0.178 61.843 62.100 -0.132 0.000 1.042 84 T CB 0.510 69.435 68.868 0.094 0.000 0.973 84 T HN 0.436 nan 8.240 nan 0.000 0.465 85 C N 3.371 122.329 119.300 -0.570 0.000 2.712 85 C HA 0.864 5.324 4.460 -0.000 0.000 0.308 85 C C -1.069 173.372 174.990 -0.916 0.000 1.201 85 C CA -1.090 57.282 59.018 -1.077 0.000 1.554 85 C CB 0.427 26.815 27.740 -2.254 0.000 2.117 85 C HN 0.919 nan 8.230 nan 0.000 0.480 86 F N 0.047 119.656 119.950 -0.568 0.000 2.569 86 F HA 0.759 5.286 4.527 -0.000 0.000 0.312 86 F C -0.437 175.361 175.800 -0.002 0.000 1.109 86 F CA -0.726 57.084 58.000 -0.317 0.000 0.919 86 F CB 1.046 39.944 39.000 -0.170 0.000 1.211 86 F HN 0.355 nan 8.300 nan 0.000 0.446 87 T N 4.072 118.711 114.554 0.141 0.000 2.840 87 T HA 0.631 4.981 4.350 -0.000 0.000 0.287 87 T C -0.973 173.654 174.700 -0.121 0.000 0.991 87 T CA -0.290 61.901 62.100 0.152 0.000 0.964 87 T CB 0.701 69.767 68.868 0.331 0.000 0.954 87 T HN 0.455 nan 8.240 nan 0.000 0.438 91 G N -0.197 108.611 108.800 0.013 0.000 2.488 91 G HA2 0.584 4.544 3.960 -0.000 0.000 0.318 91 G HA3 0.584 4.544 3.960 -0.000 0.000 0.318 91 G C -0.396 174.598 174.900 0.156 0.000 1.188 91 G CA -0.492 44.654 45.100 0.077 0.000 0.944 91 G HN 0.767 nan 8.290 nan 0.000 0.495 92 K N -0.197 120.284 120.400 0.134 0.000 2.139 92 K HA 0.454 4.773 4.320 -0.000 0.000 0.243 92 K C -1.260 175.403 176.600 0.105 0.000 0.983 92 K CA -1.472 54.903 56.287 0.148 0.000 0.890 92 K CB 1.842 34.426 32.500 0.141 0.000 1.090 92 K HN 0.304 nan 8.250 nan 0.000 0.445 93 P HA -0.003 nan 4.420 nan 0.000 0.257 93 P C 0.615 177.995 177.300 0.133 0.000 1.241 93 P CA 0.259 63.425 63.100 0.110 0.000 0.816 93 P CB 0.425 32.170 31.700 0.076 0.000 1.150 94 E N 0.272 120.560 120.200 0.146 0.000 2.149 94 E HA -0.244 4.106 4.350 -0.000 0.000 0.215 94 E C -0.242 176.497 176.600 0.232 0.000 1.055 94 E CA 1.113 57.620 56.400 0.179 0.000 0.870 94 E CB -0.370 29.446 29.700 0.193 0.000 0.764 94 E HN 0.372 nan 8.360 nan 0.000 0.463 95 Y N 1.322 121.704 120.300 0.137 0.000 2.330 95 Y HA 0.302 4.852 4.550 -0.000 0.000 0.336 95 Y C -0.595 175.390 175.900 0.141 0.000 1.036 95 Y CA -0.433 57.760 58.100 0.156 0.000 1.125 95 Y CB 0.998 39.579 38.460 0.201 0.000 1.194 95 Y HN 0.101 nan 8.280 nan 0.000 0.469 96 D N 3.097 123.188 120.400 -0.514 0.000 2.614 96 D HA 0.220 4.859 4.640 -0.000 0.000 0.264 96 D C 0.396 176.081 176.300 -1.026 0.000 1.092 96 D CA -0.838 52.847 54.000 -0.525 0.000 1.071 96 D CB 1.172 41.827 40.800 -0.241 0.000 1.443 96 D HN 0.394 nan 8.370 nan 0.000 0.528 97 K N -0.693 119.215 120.400 -0.820 0.000 2.097 97 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 97 K C 1.717 177.862 176.600 -0.758 0.000 1.050 97 K CA 1.926 57.581 56.287 -1.053 0.000 0.938 97 K CB -0.660 30.977 32.500 -1.438 0.000 0.718 97 K HN 0.676 nan 8.250 nan 0.000 0.442 98 T N -0.007 114.224 114.554 -0.539 0.000 2.822 98 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 98 T C 2.030 176.472 174.700 -0.431 0.000 1.064 98 T CA 1.316 63.175 62.100 -0.401 0.000 1.131 98 T CB -0.455 68.250 68.868 -0.270 0.000 0.858 98 T HN 0.210 nan 8.240 nan 0.000 0.483 99 I N 2.443 122.707 120.570 -0.510 0.000 2.113 99 I HA -0.191 3.979 4.170 -0.000 0.000 0.238 99 I C 3.164 178.960 176.117 -0.535 0.000 1.070 99 I CA 1.871 62.862 61.300 -0.515 0.000 1.332 99 I CB -0.955 36.772 38.000 -0.455 0.000 1.044 99 I HN 0.494 nan 8.210 nan 0.000 0.402 100 S N -0.014 115.329 115.700 -0.595 0.000 2.383 100 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 100 S C 1.982 176.136 174.600 -0.743 0.000 1.026 100 S CA 1.684 59.341 58.200 -0.905 0.000 0.981 100 S CB -0.969 61.487 63.200 -1.240 0.000 0.818 100 S HN 0.369 nan 8.310 nan 0.000 0.472 101 T N 2.271 116.458 114.554 -0.611 0.000 2.652 101 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 101 T C 2.089 176.609 174.700 -0.300 0.000 1.039 101 T CA 1.714 63.581 62.100 -0.388 0.000 1.153 101 T CB -0.879 67.799 68.868 -0.317 0.000 0.863 101 T HN 0.568 nan 8.240 nan 0.000 0.428 102 S N 0.615 116.133 115.700 -0.303 0.000 2.368 102 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 102 S C 2.021 176.504 174.600 -0.196 0.000 1.044 102 S CA 1.567 59.630 58.200 -0.228 0.000 1.062 102 S CB -0.597 62.453 63.200 -0.250 0.000 0.931 102 S HN 0.431 nan 8.310 nan 0.000 0.440 103 I N 0.759 121.183 120.570 -0.243 0.000 2.208 103 I HA -0.152 4.017 4.170 -0.000 0.000 0.245 103 I C 2.322 178.374 176.117 -0.108 0.000 1.097 103 I CA 1.062 62.286 61.300 -0.127 0.000 1.363 103 I CB -0.362 37.608 38.000 -0.050 0.000 1.051 103 I HN 0.198 nan 8.210 nan 0.000 0.413 104 V N 0.561 120.355 119.914 -0.200 0.000 2.307 104 V HA -0.263 3.856 4.120 -0.000 0.000 0.245 104 V C 2.353 178.372 176.094 -0.125 0.000 1.045 104 V CA 1.680 63.859 62.300 -0.201 0.000 1.024 104 V CB -0.500 31.104 31.823 -0.366 0.000 0.651 104 V HN 0.351 nan 8.190 nan 0.000 0.449 105 L N 0.288 121.441 121.223 -0.117 0.000 2.042 105 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 105 L C 2.518 179.352 176.870 -0.060 0.000 1.076 105 L CA 1.616 56.409 54.840 -0.078 0.000 0.749 105 L CB -0.833 41.178 42.059 -0.079 0.000 0.893 105 L HN 0.418 nan 8.230 nan 0.000 0.432 106 N N 0.299 118.963 118.700 -0.060 0.000 2.069 106 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 106 N C 1.875 177.367 175.510 -0.031 0.000 1.031 106 N CA 1.687 54.715 53.050 -0.038 0.000 0.852 106 N CB -0.306 38.166 38.487 -0.025 0.000 1.018 106 N HN 0.343 nan 8.380 nan 0.000 0.423 107 A N 1.406 124.203 122.820 -0.037 0.000 1.930 107 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 107 A C 2.415 179.978 177.584 -0.036 0.000 1.175 107 A CA 0.762 52.779 52.037 -0.034 0.000 0.627 107 A CB -0.643 18.332 19.000 -0.042 0.000 0.815 107 A HN 0.188 nan 8.150 nan 0.000 0.443 108 L N 0.015 121.214 121.223 -0.041 0.000 2.083 108 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 108 L C 2.628 179.482 176.870 -0.026 0.000 1.083 108 L CA 1.614 56.435 54.840 -0.032 0.000 0.752 108 L CB -0.701 41.339 42.059 -0.031 0.000 0.899 108 L HN 0.626 nan 8.230 nan 0.000 0.433 109 N N 0.912 119.596 118.700 -0.027 0.000 2.166 109 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 109 N C 1.614 177.114 175.510 -0.017 0.000 1.019 109 N CA 1.383 54.420 53.050 -0.022 0.000 0.856 109 N CB 0.155 38.628 38.487 -0.023 0.000 0.993 109 N HN 0.293 nan 8.380 nan 0.000 0.426 110 A N 0.401 123.210 122.820 -0.018 0.000 2.235 110 A HA 0.122 4.442 4.320 -0.000 0.000 0.208 110 A C 1.690 179.265 177.584 -0.014 0.000 1.172 110 A CA 0.184 52.213 52.037 -0.014 0.000 0.786 110 A CB -0.158 18.835 19.000 -0.011 0.000 0.804 110 A HN 0.353 nan 8.150 nan 0.000 0.479 111 L N -1.863 119.350 121.223 -0.017 0.000 2.728 111 L HA 0.296 4.636 4.340 -0.000 0.000 0.238 111 L C 1.528 178.390 176.870 -0.013 0.000 1.143 111 L CA 0.535 55.365 54.840 -0.016 0.000 0.937 111 L CB 0.329 42.376 42.059 -0.019 0.000 1.225 111 L HN 0.496 nan 8.230 nan 0.000 0.507 112 G N 0.252 109.044 108.800 -0.012 0.000 2.176 112 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 112 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 112 G C 0.098 174.992 174.900 -0.011 0.000 0.979 112 G CA 0.053 45.146 45.100 -0.011 0.000 0.641 112 G HN 0.100 nan 8.290 nan 0.000 0.530 113 V N 1.636 121.542 119.914 -0.014 0.000 2.435 113 V HA 0.746 4.866 4.120 -0.000 0.000 0.290 113 V C 0.472 176.557 176.094 -0.015 0.000 1.030 113 V CA -0.050 62.242 62.300 -0.013 0.000 0.881 113 V CB 1.802 33.617 31.823 -0.013 0.000 0.983 113 V HN 0.987 nan 8.190 nan 0.000 0.445 114 S N 3.332 119.023 115.700 -0.014 0.000 2.473 114 S HA 0.951 5.421 4.470 -0.000 0.000 0.307 114 S C -0.437 174.154 174.600 -0.015 0.000 1.094 114 S CA -0.231 57.959 58.200 -0.016 0.000 1.070 114 S CB 1.955 65.146 63.200 -0.015 0.000 1.019 114 S HN 1.380 nan 8.310 nan 0.000 0.480 115 A N 1.792 124.601 122.820 -0.017 0.000 2.583 115 A HA 0.966 5.286 4.320 -0.000 0.000 0.289 115 A C -0.890 176.683 177.584 -0.019 0.000 1.151 115 A CA -0.693 51.335 52.037 -0.014 0.000 0.695 115 A CB 1.680 20.673 19.000 -0.012 0.000 1.290 115 A HN 1.078 nan 8.150 nan 0.000 0.419 116 E N -0.325 119.866 120.200 -0.016 0.000 2.442 116 E HA 0.592 4.942 4.350 -0.000 0.000 0.278 116 E C -0.660 175.931 176.600 -0.014 0.000 1.082 116 E CA -0.221 56.166 56.400 -0.021 0.000 0.861 116 E CB 1.157 30.842 29.700 -0.024 0.000 1.462 116 E HN 1.634 nan 8.360 nan 0.000 0.458 117 A N 0.811 123.618 122.820 -0.022 0.000 2.524 117 A HA 0.380 4.700 4.320 -0.000 0.000 0.250 117 A C 0.067 177.648 177.584 -0.005 0.000 1.078 117 A CA 0.643 52.671 52.037 -0.014 0.000 0.761 117 A CB -0.139 18.843 19.000 -0.031 0.000 1.012 117 A HN 0.446 nan 8.150 nan 0.000 0.500 118 S N 2.651 118.356 115.700 0.008 0.000 2.756 118 S HA 0.627 5.097 4.470 -0.000 0.000 0.303 118 S C 0.382 174.993 174.600 0.018 0.000 1.135 118 S CA 0.719 58.925 58.200 0.010 0.000 1.066 118 S CB -0.156 63.050 63.200 0.011 0.000 1.008 118 S HN 2.691 nan 8.310 nan 0.000 0.482 119 G N 4.536 113.345 108.800 0.016 0.000 2.645 119 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.239 119 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.239 119 G C 0.310 175.227 174.900 0.028 0.000 1.331 119 G CA 0.289 45.403 45.100 0.023 0.000 0.890 119 G HN 0.785 nan 8.290 nan 0.000 0.572 120 R N 0.111 120.636 120.500 0.042 0.000 2.210 120 R HA 0.102 4.442 4.340 -0.000 0.000 0.203 120 R C 2.138 178.486 176.300 0.080 0.000 1.010 120 R CA 1.181 57.312 56.100 0.052 0.000 1.008 120 R CB -0.240 30.098 30.300 0.064 0.000 0.923 120 R HN 0.575 nan 8.270 nan 0.000 0.469 121 N N 0.259 119.011 118.700 0.087 0.000 2.531 121 N HA -0.026 4.714 4.740 -0.000 0.000 0.223 121 N C -0.313 175.265 175.510 0.114 0.000 1.023 121 N CA 0.332 53.453 53.050 0.118 0.000 1.124 121 N CB -0.552 37.996 38.487 0.103 0.000 1.427 121 N HN 0.047 nan 8.380 nan 0.000 0.558 122 D N 1.542 121.991 120.400 0.081 0.000 2.406 122 D HA 0.126 4.766 4.640 -0.000 0.000 0.234 122 D C 0.101 176.440 176.300 0.064 0.000 1.196 122 D CA 0.463 54.505 54.000 0.071 0.000 0.881 122 D CB 0.662 41.488 40.800 0.044 0.000 1.205 122 D HN 0.148 nan 8.370 nan 0.000 0.453 123 L N 0.314 121.573 121.223 0.061 0.000 2.334 123 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 123 L C -0.380 176.505 176.870 0.024 0.000 1.014 123 L CA -1.131 53.731 54.840 0.037 0.000 0.815 123 L CB 1.775 43.858 42.059 0.039 0.000 1.268 123 L HN 0.097 nan 8.230 nan 0.000 0.428 124 V N 2.461 122.382 119.914 0.011 0.000 2.789 124 V HA 0.524 4.644 4.120 -0.000 0.000 0.311 124 V C -0.565 175.529 176.094 0.000 0.000 1.073 124 V CA -0.645 61.659 62.300 0.006 0.000 0.921 124 V CB 2.900 34.726 31.823 0.006 0.000 1.009 124 V HN 0.499 nan 8.190 nan 0.000 0.426 125 V N 3.272 123.185 119.914 -0.001 0.000 2.532 125 V HA 0.668 4.788 4.120 -0.000 0.000 0.295 125 V C -0.148 175.943 176.094 -0.004 0.000 1.041 125 V CA -0.903 61.394 62.300 -0.004 0.000 0.926 125 V CB 1.618 33.438 31.823 -0.005 0.000 0.992 125 V HN 0.754 nan 8.190 nan 0.000 0.457 126 K N 2.919 123.316 120.400 -0.006 0.000 2.297 126 K HA 0.490 4.810 4.320 -0.000 0.000 0.286 126 K C -0.210 176.387 176.600 -0.005 0.000 1.053 126 K CA 0.066 56.350 56.287 -0.005 0.000 0.940 126 K CB 1.331 33.827 32.500 -0.007 0.000 1.019 126 K HN 0.928 nan 8.250 nan 0.000 0.475 127 T N 1.065 115.616 114.554 -0.004 0.000 2.900 127 T HA 0.111 4.460 4.350 -0.000 0.000 0.295 127 T C 1.501 176.199 174.700 -0.004 0.000 1.044 127 T CA -0.657 61.440 62.100 -0.004 0.000 0.995 127 T CB 1.982 70.847 68.868 -0.004 0.000 1.072 127 T HN 0.210 nan 8.240 nan 0.000 0.473 128 V N 2.072 121.983 119.914 -0.004 0.000 2.527 128 V HA -0.134 3.985 4.120 -0.000 0.000 0.255 128 V C 1.522 177.614 176.094 -0.004 0.000 1.081 128 V CA 1.883 64.181 62.300 -0.004 0.000 1.092 128 V CB -0.388 31.433 31.823 -0.004 0.000 0.673 128 V HN 0.780 nan 8.190 nan 0.000 0.470 129 E N -0.604 119.594 120.200 -0.004 0.000 2.499 129 E HA 0.456 4.806 4.350 -0.000 0.000 0.199 129 E C 0.640 177.238 176.600 -0.003 0.000 1.016 129 E CA 0.644 57.041 56.400 -0.004 0.000 0.933 129 E CB 0.611 30.309 29.700 -0.004 0.000 1.050 129 E HN 0.576 nan 8.360 nan 0.000 0.462 130 G N 0.319 109.117 108.800 -0.003 0.000 2.483 130 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.521 130 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.521 130 G C -1.396 173.502 174.900 -0.003 0.000 1.278 130 G CA -1.002 44.097 45.100 -0.003 0.000 0.965 130 G HN 0.052 nan 8.290 nan 0.000 0.504 131 D N 1.257 121.656 120.400 -0.002 0.000 2.390 131 D HA 0.569 5.209 4.640 -0.000 0.000 0.249 131 D C 0.621 176.921 176.300 -0.000 0.000 1.144 131 D CA 0.332 54.331 54.000 -0.001 0.000 0.880 131 D CB 0.577 41.377 40.800 0.001 0.000 1.182 131 D HN 0.442 nan 8.370 nan 0.000 0.451 132 R N 2.265 122.765 120.500 -0.001 0.000 2.502 132 R HA 0.248 4.588 4.340 -0.000 0.000 0.300 132 R C -0.108 176.192 176.300 0.001 0.000 0.984 132 R CA -0.786 55.313 56.100 -0.001 0.000 0.882 132 R CB 1.623 31.921 30.300 -0.003 0.000 1.180 132 R HN 0.267 nan 8.270 nan 0.000 0.444 133 K N 2.816 123.217 120.400 0.002 0.000 2.379 133 K HA 0.111 4.431 4.320 -0.000 0.000 0.284 133 K C 0.760 177.362 176.600 0.004 0.000 1.044 133 K CA 0.120 56.410 56.287 0.005 0.000 0.974 133 K CB 0.940 33.443 32.500 0.005 0.000 0.962 133 K HN 0.487 nan 8.250 nan 0.000 0.474 134 V N 0.070 119.990 119.914 0.010 0.000 3.605 134 V HA 0.249 4.368 4.120 -0.000 0.000 0.284 134 V C 0.085 176.189 176.094 0.017 0.000 1.386 134 V CA -0.023 62.282 62.300 0.008 0.000 1.053 134 V CB 0.453 32.281 31.823 0.008 0.000 0.857 134 V HN 0.594 nan 8.190 nan 0.000 0.436 135 S N 0.063 115.780 115.700 0.028 0.000 2.584 135 S HA 0.653 5.122 4.470 -0.000 0.000 0.282 135 S C -0.265 174.367 174.600 0.053 0.000 1.138 135 S CA 0.222 58.456 58.200 0.056 0.000 0.987 135 S CB 0.754 64.026 63.200 0.120 0.000 1.137 135 S HN 1.031 nan 8.310 nan 0.000 0.457 136 G N 2.205 111.013 108.800 0.014 0.000 2.412 136 G HA2 0.742 4.701 3.960 -0.000 0.000 0.318 136 G HA3 0.742 4.701 3.960 -0.000 0.000 0.318 136 G C -0.140 174.767 174.900 0.012 0.000 1.146 136 G CA -0.036 45.072 45.100 0.014 0.000 0.882 136 G HN 1.540 nan 8.290 nan 0.000 0.501 137 S N -0.739 114.990 115.700 0.049 0.000 2.776 137 S HA 0.899 5.369 4.470 -0.000 0.000 0.292 137 S C -0.721 173.933 174.600 0.091 0.000 1.187 137 S CA -0.154 58.057 58.200 0.019 0.000 0.834 137 S CB 1.671 64.876 63.200 0.010 0.000 1.199 137 S HN 2.188 nan 8.310 nan 0.000 0.514 138 A N 0.218 123.114 122.820 0.126 0.000 2.589 138 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 138 A C -2.067 175.676 177.584 0.265 0.000 1.062 138 A CA -0.517 51.652 52.037 0.220 0.000 0.686 138 A CB 1.144 20.297 19.000 0.256 0.000 1.282 138 A HN 1.379 nan 8.150 nan 0.000 0.404 139 Y N 1.013 121.414 120.300 0.170 0.000 2.512 139 Y HA 0.808 5.358 4.550 -0.000 0.000 0.348 139 Y C -0.262 175.757 175.900 0.200 0.000 0.990 139 Y CA -0.732 57.523 58.100 0.258 0.000 1.033 139 Y CB 1.810 40.476 38.460 0.344 0.000 1.259 139 Y HN 0.832 nan 8.280 nan 0.000 0.461 140 R N 3.422 123.609 120.500 -0.522 0.000 2.626 140 R HA 0.361 4.701 4.340 -0.000 0.000 0.274 140 R C -1.414 174.614 176.300 -0.454 0.000 1.031 140 R CA -0.855 55.039 56.100 -0.343 0.000 0.898 140 R CB 2.467 32.685 30.300 -0.136 0.000 1.222 140 R HN 0.788 nan 8.270 nan 0.000 0.455 141 E N 0.487 120.574 120.200 -0.188 0.000 2.222 141 E HA 0.433 4.783 4.350 -0.000 0.000 0.267 141 E C -0.582 176.055 176.600 0.062 0.000 0.963 141 E CA -0.600 55.787 56.400 -0.023 0.000 0.837 141 E CB 2.437 32.185 29.700 0.080 0.000 1.183 141 E HN 0.330 nan 8.360 nan 0.000 0.403 142 T N 0.210 114.807 114.554 0.073 0.000 2.645 142 T HA 0.219 4.568 4.350 -0.000 0.000 0.273 142 T C 0.744 175.455 174.700 0.018 0.000 0.960 142 T CA -0.597 61.522 62.100 0.032 0.000 1.051 142 T CB 1.235 70.067 68.868 -0.059 0.000 1.366 142 T HN 0.282 nan 8.240 nan 0.000 0.536 143 K N 0.653 121.043 120.400 -0.017 0.000 1.973 143 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 143 K C 1.600 178.202 176.600 0.003 0.000 1.045 143 K CA 1.953 58.235 56.287 -0.008 0.000 0.937 143 K CB -0.117 32.368 32.500 -0.025 0.000 0.721 143 K HN 0.592 nan 8.250 nan 0.000 0.438 144 D N 0.405 120.794 120.400 -0.019 0.000 2.347 144 D HA -0.085 4.555 4.640 -0.000 0.000 0.213 144 D C 0.458 176.770 176.300 0.021 0.000 0.985 144 D CA 0.458 54.455 54.000 -0.005 0.000 0.879 144 D CB 0.027 40.808 40.800 -0.033 0.000 0.919 144 D HN 0.231 nan 8.370 nan 0.000 0.526 145 R N -1.659 118.858 120.500 0.029 0.000 2.734 145 R HA 0.651 4.990 4.340 -0.000 0.000 0.271 145 R C -0.830 175.561 176.300 0.153 0.000 1.021 145 R CA -1.022 55.123 56.100 0.075 0.000 0.893 145 R CB 0.953 31.266 30.300 0.022 0.000 1.244 145 R HN -0.068 nan 8.270 nan 0.000 0.464 146 G N 0.426 109.369 108.800 0.239 0.000 2.473 146 G HA2 0.708 4.668 3.960 -0.000 0.000 0.321 146 G HA3 0.708 4.668 3.960 -0.000 0.000 0.321 146 G C -2.016 173.095 174.900 0.351 0.000 1.200 146 G CA -0.713 44.589 45.100 0.337 0.000 0.963 146 G HN 0.436 nan 8.290 nan 0.000 0.483 147 F N 0.897 120.925 119.950 0.130 0.000 2.604 147 F HA 0.543 5.070 4.527 -0.001 0.000 0.316 147 F C -1.290 174.666 175.800 0.261 0.000 1.136 147 F CA -0.837 57.280 58.000 0.196 0.000 0.989 147 F CB 2.034 41.153 39.000 0.197 0.000 1.258 147 F HN 0.570 nan 8.300 nan 0.000 0.451 148 H N 6.328 125.408 119.070 0.016 0.000 2.934 148 H HA 0.393 4.949 4.556 -0.000 0.000 0.340 148 H C -1.555 173.914 175.328 0.236 0.000 1.008 148 H CA -0.305 55.962 56.048 0.365 0.000 1.317 148 H CB 1.604 31.729 29.762 0.605 0.000 1.670 148 H HN 0.985 nan 8.280 nan 0.000 0.516 149 H N 1.964 120.981 119.070 -0.089 0.000 2.985 149 H HA 0.729 5.285 4.556 -0.001 0.000 0.360 149 H C -0.981 174.004 175.328 -0.571 0.000 1.221 149 H CA -1.202 54.717 56.048 -0.216 0.000 1.121 149 H CB 2.823 32.626 29.762 0.069 0.000 1.854 149 H HN 0.737 nan 8.280 nan 0.000 0.551 150 G N -0.246 107.922 108.800 -1.052 0.000 2.488 150 G HA2 0.379 4.339 3.960 -0.000 0.000 0.301 150 G HA3 0.379 4.339 3.960 -0.000 0.000 0.301 150 G C -1.642 172.638 174.900 -1.033 0.000 1.339 150 G CA -0.338 44.220 45.100 -0.903 0.000 0.803 150 G HN 0.688 nan 8.290 nan 0.000 0.482 151 T N -0.326 113.937 114.554 -0.485 0.000 2.856 151 T HA 0.690 5.040 4.350 -0.000 0.000 0.283 151 T C -0.755 173.898 174.700 -0.078 0.000 1.008 151 T CA -0.457 61.436 62.100 -0.345 0.000 0.997 151 T CB 0.960 69.616 68.868 -0.353 0.000 0.992 151 T HN 0.436 nan 8.240 nan 0.000 0.454 152 L N 4.769 125.972 121.223 -0.033 0.000 2.307 152 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 152 L C -0.502 176.341 176.870 -0.045 0.000 1.023 152 L CA -0.954 53.898 54.840 0.020 0.000 0.810 152 L CB 1.585 43.683 42.059 0.064 0.000 1.231 152 L HN 0.567 nan 8.230 nan 0.000 0.423 153 L N 4.863 126.065 121.223 -0.036 0.000 2.356 153 L HA 0.092 4.431 4.340 -0.000 0.000 0.282 153 L C 0.649 177.498 176.870 -0.035 0.000 1.132 153 L CA -0.103 54.708 54.840 -0.049 0.000 0.923 153 L CB 0.627 42.664 42.059 -0.036 0.000 1.278 153 L HN 0.602 nan 8.230 nan 0.000 0.436 154 L N 1.932 123.129 121.223 -0.042 0.000 2.130 154 L HA 0.105 4.444 4.340 -0.000 0.000 0.200 154 L C 1.153 178.007 176.870 -0.027 0.000 1.075 154 L CA 1.253 56.076 54.840 -0.028 0.000 0.768 154 L CB -0.272 41.773 42.059 -0.023 0.000 0.933 154 L HN 0.650 nan 8.230 nan 0.000 0.451 155 N N -0.417 118.261 118.700 -0.037 0.000 2.639 155 N HA 0.334 5.074 4.740 -0.000 0.000 0.265 155 N C -0.904 174.590 175.510 -0.026 0.000 1.689 155 N CA -0.112 52.922 53.050 -0.027 0.000 0.813 155 N CB 0.622 39.094 38.487 -0.025 0.000 1.353 155 N HN 0.139 nan 8.380 nan 0.000 0.510 156 A N 0.637 123.443 122.820 -0.023 0.000 2.316 156 A HA 0.237 4.557 4.320 -0.000 0.000 0.284 156 A C -0.125 177.480 177.584 0.034 0.000 1.115 156 A CA -0.352 51.682 52.037 -0.005 0.000 0.812 156 A CB 0.773 19.761 19.000 -0.021 0.000 1.064 156 A HN 0.438 nan 8.150 nan 0.000 0.489 157 D N 2.202 122.654 120.400 0.086 0.000 2.344 157 D HA 0.252 4.892 4.640 -0.000 0.000 0.253 157 D C 1.215 177.578 176.300 0.104 0.000 1.255 157 D CA -0.305 53.748 54.000 0.089 0.000 0.894 157 D CB 0.432 41.289 40.800 0.094 0.000 1.067 157 D HN 0.351 nan 8.370 nan 0.000 0.492 158 L N 3.200 124.451 121.223 0.046 0.000 1.937 158 L HA -0.135 4.205 4.340 -0.000 0.000 0.213 158 L C 2.469 179.333 176.870 -0.011 0.000 1.077 158 L CA 1.746 56.604 54.840 0.029 0.000 0.758 158 L CB -1.972 40.090 42.059 0.005 0.000 0.888 158 L HN 0.409 nan 8.230 nan 0.000 0.433 159 S N -0.244 115.435 115.700 -0.035 0.000 2.461 159 S HA -0.234 4.236 4.470 -0.000 0.000 0.246 159 S C 2.100 176.620 174.600 -0.133 0.000 1.007 159 S CA 0.950 59.107 58.200 -0.071 0.000 0.976 159 S CB -0.727 62.438 63.200 -0.059 0.000 0.763 159 S HN 0.417 nan 8.310 nan 0.000 0.508 160 R N 0.241 120.635 120.500 -0.177 0.000 2.139 160 R HA -0.074 4.265 4.340 -0.000 0.000 0.243 160 R C 2.229 178.288 176.300 -0.401 0.000 1.145 160 R CA 1.415 57.325 56.100 -0.315 0.000 0.976 160 R CB -1.097 28.940 30.300 -0.439 0.000 0.866 160 R HN 0.506 nan 8.270 nan 0.000 0.449 161 L N 0.948 121.935 121.223 -0.393 0.000 2.042 161 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 161 L C 2.327 179.112 176.870 -0.142 0.000 1.076 161 L CA 1.986 56.684 54.840 -0.237 0.000 0.749 161 L CB -0.757 41.249 42.059 -0.089 0.000 0.893 161 L HN 0.147 nan 8.230 nan 0.000 0.432 162 A N 0.248 122.977 122.820 -0.152 0.000 1.903 162 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 162 A C 1.919 179.385 177.584 -0.197 0.000 1.191 162 A CA 2.251 54.205 52.037 -0.138 0.000 0.638 162 A CB -1.022 17.904 19.000 -0.123 0.000 0.823 162 A HN 0.734 nan 8.150 nan 0.000 0.451 163 N N -1.600 116.894 118.700 -0.344 0.000 2.512 163 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 163 N C 0.892 176.030 175.510 -0.619 0.000 1.073 163 N CA 1.303 54.051 53.050 -0.504 0.000 0.911 163 N CB -0.387 37.706 38.487 -0.657 0.000 0.964 163 N HN 0.696 nan 8.380 nan 0.000 0.447 164 Y N 0.706 120.939 120.300 -0.110 0.000 2.481 164 Y HA 0.333 4.882 4.550 -0.001 0.000 0.258 164 Y C 1.482 177.350 175.900 -0.053 0.000 1.103 164 Y CA -0.324 57.732 58.100 -0.073 0.000 1.287 164 Y CB 0.246 38.657 38.460 -0.081 0.000 1.108 164 Y HN -0.116 nan 8.280 nan 0.000 0.529 165 L N 0.343 121.584 121.223 0.029 0.000 2.490 165 L HA 0.197 4.537 4.340 -0.000 0.000 0.245 165 L C -0.375 176.489 176.870 -0.010 0.000 1.185 165 L CA -0.394 54.451 54.840 0.009 0.000 0.813 165 L CB 0.297 42.351 42.059 -0.008 0.000 1.233 165 L HN 0.040 nan 8.230 nan 0.000 0.489 166 N N -0.444 118.252 118.700 -0.005 0.000 2.314 166 N HA 0.357 5.097 4.740 -0.000 0.000 0.294 166 N C -2.479 173.024 175.510 -0.011 0.000 1.029 166 N CA -1.254 51.794 53.050 -0.003 0.000 0.845 166 N CB 1.132 39.627 38.487 0.015 0.000 1.321 166 N HN 0.233 nan 8.380 nan 0.000 0.481 167 P HA -0.125 nan 4.420 nan 0.000 0.252 167 P C -0.861 176.433 177.300 -0.011 0.000 1.126 167 P CA 0.663 63.754 63.100 -0.017 0.000 0.777 167 P CB 0.197 31.889 31.700 -0.014 0.000 0.711 168 D N 3.133 123.523 120.400 -0.017 0.000 2.472 168 D HA 0.107 4.746 4.640 -0.000 0.000 0.234 168 D C 0.888 177.172 176.300 -0.027 0.000 1.088 168 D CA -0.598 53.391 54.000 -0.018 0.000 0.882 168 D CB 0.700 41.486 40.800 -0.022 0.000 1.037 168 D HN 0.053 nan 8.370 nan 0.000 0.520 169 K N 1.935 122.322 120.400 -0.022 0.000 2.032 169 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 169 K C 1.673 178.249 176.600 -0.040 0.000 1.048 169 K CA 1.166 57.437 56.287 -0.026 0.000 0.927 169 K CB 0.279 32.768 32.500 -0.018 0.000 0.712 169 K HN 0.308 nan 8.250 nan 0.000 0.441 170 K N 1.011 121.382 120.400 -0.048 0.000 2.097 170 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 170 K C 2.173 178.719 176.600 -0.090 0.000 1.050 170 K CA 1.052 57.293 56.287 -0.076 0.000 0.938 170 K CB -0.059 32.384 32.500 -0.094 0.000 0.718 170 K HN 0.121 nan 8.250 nan 0.000 0.442 171 K N 1.346 121.700 120.400 -0.077 0.000 2.217 171 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 171 K C 2.081 178.645 176.600 -0.061 0.000 1.051 171 K CA 0.482 56.724 56.287 -0.075 0.000 0.952 171 K CB 0.129 32.593 32.500 -0.059 0.000 0.736 171 K HN 0.073 nan 8.250 nan 0.000 0.453 172 L N 0.591 121.783 121.223 -0.051 0.000 2.023 172 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 172 L C 1.695 178.538 176.870 -0.045 0.000 1.073 172 L CA 0.984 55.799 54.840 -0.042 0.000 0.745 172 L CB -0.349 41.690 42.059 -0.035 0.000 0.900 172 L HN 0.184 nan 8.230 nan 0.000 0.435 173 A N -0.901 121.889 122.820 -0.050 0.000 2.305 173 A HA 0.311 4.630 4.320 -0.000 0.000 0.236 173 A C 1.205 178.750 177.584 -0.064 0.000 1.392 173 A CA 1.006 53.012 52.037 -0.052 0.000 1.205 173 A CB -0.605 18.365 19.000 -0.050 0.000 0.881 173 A HN 0.501 nan 8.150 nan 0.000 0.558 174 A N -1.236 121.545 122.820 -0.064 0.000 2.189 174 A HA 0.376 4.696 4.320 -0.000 0.000 0.177 174 A C 0.754 178.304 177.584 -0.055 0.000 1.745 174 A CA 0.206 52.199 52.037 -0.074 0.000 1.284 174 A CB 0.460 19.397 19.000 -0.106 0.000 1.508 174 A HN 0.347 nan 8.150 nan 0.000 0.440 184 V N 0.416 120.327 119.914 -0.005 0.000 3.007 184 V HA 0.690 4.810 4.120 -0.000 0.000 0.311 184 V C -0.599 175.491 176.094 -0.006 0.000 1.120 184 V CA -0.354 61.943 62.300 -0.005 0.000 0.980 184 V CB 2.577 34.396 31.823 -0.007 0.000 1.033 184 V HN 0.306 nan 8.190 nan 0.000 0.429 185 T N 2.986 117.536 114.554 -0.006 0.000 2.923 185 T HA 0.396 4.746 4.350 -0.000 0.000 0.311 185 T C -0.594 174.101 174.700 -0.008 0.000 1.183 185 T CA -0.674 61.422 62.100 -0.007 0.000 1.020 185 T CB 1.613 70.477 68.868 -0.006 0.000 1.165 185 T HN 0.674 nan 8.240 nan 0.000 0.482 186 N N 0.537 119.232 118.700 -0.009 0.000 2.424 186 N HA 0.359 5.099 4.740 -0.000 0.000 0.257 186 N C 1.207 176.711 175.510 -0.010 0.000 1.250 186 N CA -0.568 52.475 53.050 -0.012 0.000 0.946 186 N CB 0.724 39.204 38.487 -0.012 0.000 1.175 186 N HN 0.453 nan 8.380 nan 0.000 0.477 187 L N 0.404 121.620 121.223 -0.011 0.000 2.131 187 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 187 L C 2.170 179.035 176.870 -0.009 0.000 1.087 187 L CA 0.777 55.612 54.840 -0.009 0.000 0.767 187 L CB -0.573 41.480 42.059 -0.010 0.000 0.917 187 L HN 0.723 nan 8.230 nan 0.000 0.441 188 T N -0.013 114.535 114.554 -0.009 0.000 2.674 188 T HA -0.327 4.023 4.350 -0.000 0.000 0.244 188 T C 1.579 176.275 174.700 -0.006 0.000 1.199 188 T CA 2.228 64.324 62.100 -0.008 0.000 1.119 188 T CB -0.238 68.625 68.868 -0.009 0.000 0.825 188 T HN 0.358 nan 8.240 nan 0.000 0.476 189 E N 0.107 120.303 120.200 -0.006 0.000 2.472 189 E HA 0.066 4.416 4.350 -0.000 0.000 0.200 189 E C 1.877 178.473 176.600 -0.005 0.000 1.046 189 E CA 0.581 56.978 56.400 -0.006 0.000 0.871 189 E CB -0.001 29.695 29.700 -0.006 0.000 0.806 189 E HN 0.478 nan 8.360 nan 0.000 0.533 190 L N -1.212 120.008 121.223 -0.006 0.000 2.694 190 L HA 0.193 4.533 4.340 -0.000 0.000 0.228 190 L C 0.091 176.957 176.870 -0.006 0.000 1.048 190 L CA 0.250 55.087 54.840 -0.006 0.000 0.887 190 L CB 0.708 42.763 42.059 -0.007 0.000 1.265 190 L HN -0.088 nan 8.230 nan 0.000 0.492 191 L N 0.659 121.878 121.223 -0.006 0.000 2.377 191 L HA 0.389 4.729 4.340 -0.000 0.000 0.270 191 L C -1.985 174.881 176.870 -0.005 0.000 0.991 191 L CA -1.328 53.509 54.840 -0.006 0.000 0.851 191 L CB 1.473 43.527 42.059 -0.008 0.000 1.218 191 L HN -0.186 nan 8.230 nan 0.000 0.420 192 P HA 0.016 nan 4.420 nan 0.000 0.241 192 P C 1.045 178.343 177.300 -0.003 0.000 1.191 192 P CA 0.518 63.616 63.100 -0.003 0.000 0.771 192 P CB 0.550 32.248 31.700 -0.002 0.000 0.929 193 G N -0.671 108.127 108.800 -0.003 0.000 3.377 193 G HA2 0.139 4.099 3.960 -0.000 0.000 0.257 193 G HA3 0.139 4.099 3.960 -0.000 0.000 0.257 193 G C 0.115 175.014 174.900 -0.001 0.000 1.038 193 G CA -0.009 45.090 45.100 -0.001 0.000 0.809 193 G HN 0.131 nan 8.290 nan 0.000 0.526 194 I N 3.569 124.137 120.570 -0.003 0.000 2.587 194 I HA 0.296 4.465 4.170 -0.000 0.000 0.284 194 I C 0.916 177.034 176.117 0.001 0.000 1.134 194 I CA -0.446 60.851 61.300 -0.005 0.000 1.410 194 I CB 0.542 38.537 38.000 -0.008 0.000 1.392 194 I HN 0.099 nan 8.210 nan 0.000 0.545 195 T N 2.768 117.323 114.554 0.003 0.000 2.944 195 T HA 0.268 4.618 4.350 -0.000 0.000 0.284 195 T C 1.118 175.836 174.700 0.031 0.000 1.010 195 T CA -0.125 61.988 62.100 0.022 0.000 1.025 195 T CB 0.916 69.798 68.868 0.023 0.000 1.079 195 T HN 0.688 nan 8.240 nan 0.000 0.516 196 H N 0.757 119.801 119.070 -0.044 0.000 2.352 196 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 196 H C 1.744 177.049 175.328 -0.039 0.000 1.097 196 H CA 2.484 58.499 56.048 -0.055 0.000 1.311 196 H CB -0.142 29.580 29.762 -0.067 0.000 1.377 196 H HN 0.789 nan 8.280 nan 0.000 0.504 197 E N 0.146 120.286 120.200 -0.099 0.000 2.077 197 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 197 E C 2.420 178.943 176.600 -0.127 0.000 0.989 197 E CA 1.253 57.567 56.400 -0.143 0.000 0.800 197 E CB -0.155 29.524 29.700 -0.034 0.000 0.746 197 E HN 0.609 nan 8.360 nan 0.000 0.452 198 Q N -0.115 119.639 119.800 -0.076 0.000 2.079 198 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 198 Q C 1.942 177.893 176.000 -0.081 0.000 0.974 198 Q CA 1.202 56.969 55.803 -0.060 0.000 0.840 198 Q CB 0.175 28.893 28.738 -0.033 0.000 0.898 198 Q HN 0.159 nan 8.270 nan 0.000 0.430 199 V N -0.511 119.345 119.914 -0.096 0.000 2.809 199 V HA -0.249 3.870 4.120 -0.000 0.000 0.256 199 V C 2.121 178.124 176.094 -0.151 0.000 1.080 199 V CA 1.006 63.246 62.300 -0.099 0.000 1.102 199 V CB -0.295 31.489 31.823 -0.065 0.000 0.705 199 V HN 0.552 nan 8.190 nan 0.000 0.475 200 C N -0.022 119.135 119.300 -0.239 0.000 2.473 200 C HA -0.142 4.318 4.460 -0.000 0.000 0.279 200 C C 2.710 177.598 174.990 -0.170 0.000 1.250 200 C CA 0.979 59.850 59.018 -0.245 0.000 1.713 200 C CB -0.746 26.791 27.740 -0.338 0.000 2.066 200 C HN 0.585 nan 8.230 nan 0.000 0.474 201 E N 0.969 121.088 120.200 -0.136 0.000 2.065 201 E HA -0.222 4.128 4.350 -0.000 0.000 0.201 201 E C 2.274 178.814 176.600 -0.099 0.000 1.016 201 E CA 1.831 58.166 56.400 -0.107 0.000 0.818 201 E CB -0.393 29.267 29.700 -0.068 0.000 0.749 201 E HN 0.610 nan 8.360 nan 0.000 0.453 202 A N 0.720 123.493 122.820 -0.080 0.000 1.859 202 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 202 A C 2.279 179.828 177.584 -0.058 0.000 1.209 202 A CA 2.040 54.042 52.037 -0.059 0.000 0.639 202 A CB -1.000 17.969 19.000 -0.051 0.000 0.835 202 A HN 0.261 nan 8.150 nan 0.000 0.450 203 I N -0.435 120.090 120.570 -0.075 0.000 2.208 203 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 203 I C 2.606 178.698 176.117 -0.042 0.000 1.097 203 I CA 1.799 63.066 61.300 -0.055 0.000 1.363 203 I CB -0.885 37.056 38.000 -0.098 0.000 1.051 203 I HN 0.306 nan 8.210 nan 0.000 0.413 204 T N 0.309 114.781 114.554 -0.137 0.000 2.684 204 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 204 T C 1.810 176.349 174.700 -0.268 0.000 1.036 204 T CA 1.395 63.347 62.100 -0.247 0.000 1.148 204 T CB -0.226 68.423 68.868 -0.364 0.000 0.863 204 T HN 0.360 nan 8.240 nan 0.000 0.436 205 E N 1.256 121.356 120.200 -0.167 0.000 2.072 205 E HA 0.004 4.353 4.350 -0.000 0.000 0.191 205 E C 2.616 179.263 176.600 0.077 0.000 0.985 205 E CA 1.056 57.429 56.400 -0.044 0.000 0.801 205 E CB -0.473 29.226 29.700 -0.001 0.000 0.750 205 E HN 0.519 nan 8.360 nan 0.000 0.452 206 A N 0.846 123.710 122.820 0.073 0.000 2.070 206 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 206 A C 1.936 179.648 177.584 0.213 0.000 1.159 206 A CA 0.961 53.061 52.037 0.105 0.000 0.656 206 A CB -0.595 18.442 19.000 0.061 0.000 0.800 206 A HN 0.244 nan 8.150 nan 0.000 0.453 207 F N -0.167 119.842 119.950 0.099 0.000 2.053 207 F HA -0.022 4.504 4.527 -0.001 0.000 0.292 207 F C 1.880 177.931 175.800 0.419 0.000 1.125 207 F CA 1.102 59.252 58.000 0.250 0.000 1.193 207 F CB -0.637 38.483 39.000 0.200 0.000 0.996 207 F HN 0.209 nan 8.300 nan 0.000 0.470 208 F N 1.212 121.202 119.950 0.067 0.000 2.147 208 F HA -0.243 4.284 4.527 -0.001 0.000 0.301 208 F C 2.630 178.418 175.800 -0.019 0.000 1.084 208 F CA 0.885 58.865 58.000 -0.034 0.000 1.268 208 F CB -1.985 37.050 39.000 0.059 0.000 1.009 208 F HN 0.155 nan 8.300 nan 0.000 0.486 209 A N -0.670 122.283 122.820 0.221 0.000 1.855 209 A HA -0.255 4.065 4.320 -0.000 0.000 0.215 209 A C 2.082 179.677 177.584 0.017 0.000 1.191 209 A CA 1.848 53.945 52.037 0.099 0.000 0.613 209 A CB -1.330 17.719 19.000 0.081 0.000 0.829 209 A HN 0.459 nan 8.150 nan 0.000 0.442 210 H N -2.213 116.803 119.070 -0.091 0.000 2.387 210 H HA -0.178 4.378 4.556 -0.001 0.000 0.299 210 H C 1.337 176.473 175.328 -0.320 0.000 1.099 210 H CA 2.255 58.148 56.048 -0.259 0.000 1.315 210 H CB -0.182 29.326 29.762 -0.422 0.000 1.380 210 H HN 0.546 nan 8.280 nan 0.000 0.513 211 Y N -1.057 119.194 120.300 -0.081 0.000 2.462 211 Y HA 0.229 4.779 4.550 -0.000 0.000 0.261 211 Y C 2.023 177.838 175.900 -0.142 0.000 1.146 211 Y CA 0.467 58.488 58.100 -0.132 0.000 1.283 211 Y CB 0.371 38.736 38.460 -0.157 0.000 1.090 211 Y HN 0.427 nan 8.280 nan 0.000 0.526 212 G N 0.524 109.315 108.800 -0.015 0.000 2.148 212 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 212 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 212 G C 0.139 175.004 174.900 -0.058 0.000 0.981 212 G CA 0.615 45.693 45.100 -0.037 0.000 0.670 212 G HN 0.416 nan 8.290 nan 0.000 0.528 213 E N -0.784 119.358 120.200 -0.096 0.000 2.429 213 E HA 0.733 5.083 4.350 -0.000 0.000 0.276 213 E C -0.243 176.074 176.600 -0.472 0.000 0.953 213 E CA -1.262 55.016 56.400 -0.204 0.000 0.787 213 E CB 1.310 30.912 29.700 -0.162 0.000 1.307 213 E HN 0.368 nan 8.360 nan 0.000 0.458 214 R N 0.297 120.399 120.500 -0.663 0.000 2.795 214 R HA 0.691 5.030 4.340 -0.000 0.000 0.275 214 R C -0.891 174.993 176.300 -0.694 0.000 0.981 214 R CA -0.994 54.262 56.100 -1.407 0.000 0.917 214 R CB 1.991 31.679 30.300 -1.019 0.000 1.202 214 R HN 0.350 nan 8.270 nan 0.000 0.469 215 V N -2.143 117.467 119.914 -0.506 0.000 3.114 215 V HA 0.429 4.549 4.120 -0.000 0.000 0.308 215 V C -0.341 175.815 176.094 0.103 0.000 1.168 215 V CA -1.405 60.845 62.300 -0.083 0.000 1.015 215 V CB 2.087 33.923 31.823 0.022 0.000 1.050 215 V HN 0.561 nan 8.190 nan 0.000 0.433 216 E N 1.542 121.792 120.200 0.083 0.000 2.442 216 E HA 0.362 4.712 4.350 -0.000 0.000 0.262 216 E C 0.427 177.121 176.600 0.156 0.000 1.004 216 E CA 0.535 57.004 56.400 0.116 0.000 0.928 216 E CB 1.241 30.982 29.700 0.068 0.000 0.937 216 E HN 1.111 nan 8.360 nan 0.000 0.446 217 A N 3.782 126.697 122.820 0.158 0.000 2.454 217 A HA 0.067 4.386 4.320 -0.000 0.000 0.260 217 A C 0.177 177.815 177.584 0.090 0.000 1.106 217 A CA -0.165 51.952 52.037 0.134 0.000 0.780 217 A CB 0.040 19.108 19.000 0.114 0.000 1.044 217 A HN 0.514 nan 8.150 nan 0.000 0.498 218 E N 2.216 122.464 120.200 0.081 0.000 2.070 218 E HA 0.163 4.512 4.350 -0.000 0.000 0.282 218 E C -0.598 176.040 176.600 0.063 0.000 1.104 218 E CA -0.243 56.188 56.400 0.051 0.000 0.876 218 E CB 0.456 30.172 29.700 0.026 0.000 1.055 218 E HN 0.444 nan 8.360 nan 0.000 0.401 219 I N 5.843 126.445 120.570 0.053 0.000 2.269 219 I HA 0.183 4.353 4.170 -0.000 0.000 0.293 219 I C 0.316 176.460 176.117 0.046 0.000 1.106 219 I CA -0.660 60.678 61.300 0.064 0.000 1.248 219 I CB -0.962 37.068 38.000 0.049 0.000 1.444 219 I HN 0.355 nan 8.210 nan 0.000 0.497 220 I N 3.760 124.378 120.570 0.080 0.000 2.499 220 I HA 0.801 4.971 4.170 -0.000 0.000 0.296 220 I C 0.501 176.648 176.117 0.049 0.000 0.992 220 I CA -0.155 61.191 61.300 0.077 0.000 1.297 220 I CB 1.671 39.726 38.000 0.091 0.000 1.410 220 I HN 0.592 nan 8.210 nan 0.000 0.507 221 S N 2.725 118.337 115.700 -0.146 0.000 2.615 221 S HA 0.605 5.075 4.470 -0.000 0.000 0.269 221 S C -2.650 171.495 174.600 -0.758 0.000 1.161 221 S CA -0.957 56.909 58.200 -0.557 0.000 0.817 221 S CB 1.678 64.692 63.200 -0.310 0.000 1.131 221 S HN 0.488 nan 8.310 nan 0.000 0.467 222 P HA 0.121 nan 4.420 nan 0.000 0.249 222 P C 0.846 178.097 177.300 -0.081 0.000 1.229 222 P CA 0.433 63.197 63.100 -0.560 0.000 0.788 222 P CB -0.384 31.047 31.700 -0.448 0.000 1.072 223 N N 0.803 119.432 118.700 -0.118 0.000 2.512 223 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 223 N C 0.415 175.933 175.510 0.014 0.000 1.073 223 N CA 0.927 53.965 53.050 -0.021 0.000 0.911 223 N CB -0.335 38.127 38.487 -0.040 0.000 0.964 223 N HN 0.116 nan 8.380 nan 0.000 0.447 224 K N -0.474 119.927 120.400 0.002 0.000 2.543 224 K HA 0.196 4.515 4.320 -0.000 0.000 0.255 224 K C -1.447 175.167 176.600 0.023 0.000 0.934 224 K CA -0.365 55.937 56.287 0.025 0.000 0.810 224 K CB 0.583 33.085 32.500 0.002 0.000 1.315 224 K HN -0.157 nan 8.250 nan 0.000 0.433 225 T N 5.922 120.508 114.554 0.053 0.000 2.778 225 T HA 0.098 4.448 4.350 -0.000 0.000 0.282 225 T C -1.927 172.694 174.700 -0.132 0.000 0.983 225 T CA -0.139 61.968 62.100 0.011 0.000 1.193 225 T CB -0.090 68.826 68.868 0.081 0.000 0.938 225 T HN 0.432 nan 8.240 nan 0.000 0.523 226 P HA 0.134 nan 4.420 nan 0.000 0.271 226 P C -0.404 176.734 177.300 -0.269 0.000 1.233 226 P CA -0.403 62.489 63.100 -0.346 0.000 0.789 226 P CB 0.547 31.880 31.700 -0.613 0.000 0.951 227 D N 1.256 121.549 120.400 -0.178 0.000 2.522 227 D HA 0.375 5.014 4.640 -0.000 0.000 0.218 227 D C -0.929 175.307 176.300 -0.107 0.000 1.149 227 D CA -0.228 53.708 54.000 -0.107 0.000 0.981 227 D CB -0.968 39.795 40.800 -0.062 0.000 1.041 227 D HN 0.166 nan 8.370 nan 0.000 0.518 228 L N 3.007 124.172 121.223 -0.096 0.000 2.482 228 L HA 0.526 4.865 4.340 -0.000 0.000 0.263 228 L C -2.332 174.555 176.870 0.029 0.000 0.957 228 L CA -2.179 52.631 54.840 -0.050 0.000 0.836 228 L CB 2.238 44.245 42.059 -0.086 0.000 1.324 228 L HN 0.133 nan 8.230 nan 0.000 0.406 229 P HA 0.180 nan 4.420 nan 0.000 0.272 229 P C -0.463 176.873 177.300 0.061 0.000 1.223 229 P CA -0.190 62.930 63.100 0.033 0.000 0.784 229 P CB 0.251 31.956 31.700 0.009 0.000 0.923 230 N N -0.716 118.018 118.700 0.057 0.000 2.701 230 N HA -0.275 4.464 4.740 -0.000 0.000 0.250 230 N C 0.205 175.764 175.510 0.082 0.000 1.046 230 N CA 0.189 53.270 53.050 0.051 0.000 0.733 230 N CB -1.662 36.829 38.487 0.007 0.000 0.973 230 N HN 0.393 nan 8.380 nan 0.000 0.541 231 F N 0.459 120.404 119.950 -0.009 0.000 2.206 231 F HA 0.047 4.574 4.527 -0.001 0.000 0.298 231 F C 2.151 177.992 175.800 0.069 0.000 1.090 231 F CA 1.364 59.362 58.000 -0.003 0.000 1.323 231 F CB -0.229 38.759 39.000 -0.021 0.000 1.028 231 F HN 0.247 nan 8.300 nan 0.000 0.492 232 A N -0.089 122.811 122.820 0.133 0.000 1.873 232 A HA -0.185 4.134 4.320 -0.000 0.000 0.215 232 A C 2.066 179.627 177.584 -0.039 0.000 1.186 232 A CA 1.711 53.804 52.037 0.095 0.000 0.616 232 A CB -0.954 18.129 19.000 0.139 0.000 0.823 232 A HN 0.417 nan 8.150 nan 0.000 0.442 233 E N -0.188 119.988 120.200 -0.041 0.000 2.058 233 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 233 E C 2.022 178.544 176.600 -0.130 0.000 0.997 233 E CA 2.168 58.524 56.400 -0.073 0.000 0.801 233 E CB -0.698 28.969 29.700 -0.056 0.000 0.746 233 E HN 0.491 nan 8.360 nan 0.000 0.450 234 T N 0.434 114.882 114.554 -0.177 0.000 2.684 234 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 234 T C 1.400 175.965 174.700 -0.225 0.000 1.036 234 T CA 1.356 63.322 62.100 -0.224 0.000 1.148 234 T CB -0.525 68.199 68.868 -0.239 0.000 0.863 234 T HN 0.215 nan 8.240 nan 0.000 0.436 235 F N 2.363 121.961 119.950 -0.587 0.000 2.113 235 F HA 0.103 4.630 4.527 -0.000 0.000 0.297 235 F C 2.450 178.129 175.800 -0.201 0.000 1.103 235 F CA 0.498 58.216 58.000 -0.471 0.000 1.248 235 F CB -1.258 37.380 39.000 -0.603 0.000 0.999 235 F HN 0.153 nan 8.300 nan 0.000 0.475 236 A N 1.230 123.909 122.820 -0.236 0.000 1.869 236 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 236 A C 2.428 179.900 177.584 -0.188 0.000 1.203 236 A CA 2.410 54.290 52.037 -0.261 0.000 0.638 236 A CB -0.916 17.987 19.000 -0.161 0.000 0.831 236 A HN 0.483 nan 8.150 nan 0.000 0.450 237 R N -1.256 119.155 120.500 -0.149 0.000 2.073 237 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 237 R C 2.495 178.724 176.300 -0.118 0.000 1.134 237 R CA 1.628 57.644 56.100 -0.140 0.000 0.952 237 R CB -0.383 29.787 30.300 -0.217 0.000 0.850 237 R HN 0.669 nan 8.270 nan 0.000 0.433 238 Q N 1.172 120.908 119.800 -0.107 0.000 2.167 238 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 238 Q C 1.704 177.825 176.000 0.202 0.000 0.970 238 Q CA 2.036 57.858 55.803 0.032 0.000 0.855 238 Q CB 0.034 28.828 28.738 0.093 0.000 0.911 238 Q HN 0.351 nan 8.270 nan 0.000 0.438 239 S N -0.995 114.706 115.700 0.002 0.000 2.593 239 S HA 0.117 4.586 4.470 -0.000 0.000 0.217 239 S C 0.590 174.982 174.600 -0.346 0.000 0.966 239 S CA -0.045 57.989 58.200 -0.276 0.000 0.914 239 S CB -0.329 62.649 63.200 -0.371 0.000 0.776 239 S HN 0.350 nan 8.310 nan 0.000 0.523 240 S N 0.310 115.944 115.700 -0.109 0.000 2.549 240 S HA 0.201 4.670 4.470 -0.000 0.000 0.279 240 S C 0.446 175.089 174.600 0.072 0.000 1.321 240 S CA -0.755 57.436 58.200 -0.015 0.000 1.054 240 S CB 0.284 63.520 63.200 0.059 0.000 0.899 240 S HN 0.608 nan 8.310 nan 0.000 0.497 241 W N 2.985 124.253 121.300 -0.054 0.000 2.305 241 W HA -0.186 4.474 4.660 -0.000 0.000 0.308 241 W C 1.934 178.543 176.519 0.150 0.000 1.226 241 W CA 1.978 59.362 57.345 0.066 0.000 1.253 241 W CB -0.086 29.411 29.460 0.061 0.000 1.146 241 W HN 0.820 nan 8.180 nan 0.000 0.507 242 E N -0.533 119.912 120.200 0.409 0.000 2.072 242 E HA -0.265 4.085 4.350 -0.000 0.000 0.191 242 E C 1.978 178.645 176.600 0.111 0.000 0.985 242 E CA 1.624 58.190 56.400 0.278 0.000 0.801 242 E CB -1.371 28.528 29.700 0.333 0.000 0.750 242 E HN 0.615 nan 8.360 nan 0.000 0.452 243 W N 2.028 123.313 121.300 -0.024 0.000 2.354 243 W HA -0.187 4.472 4.660 -0.001 0.000 0.315 243 W C 1.510 177.953 176.519 -0.126 0.000 1.206 243 W CA 1.140 58.452 57.345 -0.055 0.000 1.290 243 W CB -0.166 29.270 29.460 -0.039 0.000 1.152 243 W HN 0.042 nan 8.180 nan 0.000 0.489 244 N N -0.127 118.355 118.700 -0.364 0.000 2.106 244 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 244 N C 1.553 176.596 175.510 -0.779 0.000 1.029 244 N CA 1.858 54.556 53.050 -0.587 0.000 0.848 244 N CB -0.979 37.329 38.487 -0.299 0.000 1.007 244 N HN 0.129 nan 8.380 nan 0.000 0.423 245 F N 0.036 119.490 119.950 -0.827 0.000 2.394 245 F HA 0.342 4.868 4.527 -0.000 0.000 0.269 245 F C 1.477 176.863 175.800 -0.691 0.000 1.012 245 F CA 1.003 58.429 58.000 -0.956 0.000 1.138 245 F CB -0.652 37.380 39.000 -1.612 0.000 1.140 245 F HN 0.092 nan 8.300 nan 0.000 0.623 246 G N 1.329 109.725 108.800 -0.674 0.000 2.757 246 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.686 246 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.686 246 G C -0.657 174.403 174.900 0.266 0.000 1.452 246 G CA -0.775 44.248 45.100 -0.128 0.000 0.922 246 G HN 0.372 nan 8.290 nan 0.000 0.588 247 Q N 0.365 120.408 119.800 0.406 0.000 2.386 247 Q HA 0.424 4.764 4.340 -0.000 0.000 0.282 247 Q C 1.056 177.121 176.000 0.107 0.000 1.050 247 Q CA 0.336 56.315 55.803 0.294 0.000 0.918 247 Q CB 0.352 29.186 28.738 0.161 0.000 1.266 247 Q HN 1.657 nan 8.270 nan 0.000 0.423 248 A N 3.743 126.312 122.820 -0.419 0.000 2.507 248 A HA 0.214 4.534 4.320 -0.000 0.000 0.235 248 A C -1.836 175.707 177.584 -0.070 0.000 1.070 248 A CA -0.879 50.906 52.037 -0.420 0.000 0.768 248 A CB -0.484 18.088 19.000 -0.713 0.000 1.011 248 A HN 0.536 nan 8.150 nan 0.000 0.502 249 P HA 0.440 nan 4.420 nan 0.000 0.281 249 P C -0.928 176.454 177.300 0.138 0.000 1.252 249 P CA -0.023 63.180 63.100 0.171 0.000 0.778 249 P CB 1.409 33.187 31.700 0.129 0.000 0.895 250 A N 3.991 126.876 122.820 0.108 0.000 2.431 250 A HA 0.679 4.999 4.320 -0.000 0.000 0.318 250 A C -1.034 176.492 177.584 -0.097 0.000 1.330 250 A CA -0.406 51.648 52.037 0.029 0.000 0.804 250 A CB -0.152 18.794 19.000 -0.089 0.000 1.135 250 A HN 0.366 nan 8.150 nan 0.000 0.483 251 F N 0.257 120.240 119.950 0.056 0.000 2.664 251 F HA 0.524 5.051 4.527 -0.000 0.000 0.329 251 F C 1.444 177.265 175.800 0.035 0.000 1.090 251 F CA -0.341 57.698 58.000 0.065 0.000 0.978 251 F CB 1.871 40.946 39.000 0.124 0.000 1.378 251 F HN 0.418 nan 8.300 nan 0.000 0.495 252 S N -1.668 114.165 115.700 0.222 0.000 2.535 252 S HA 0.225 4.694 4.470 -0.000 0.000 0.214 252 S C -0.270 174.279 174.600 -0.086 0.000 0.980 252 S CA 0.296 58.535 58.200 0.066 0.000 0.907 252 S CB -0.637 62.596 63.200 0.054 0.000 0.790 252 S HN 0.592 nan 8.310 nan 0.000 0.510 253 H N 0.410 119.267 119.070 -0.355 0.000 2.538 253 H HA 0.749 5.305 4.556 -0.000 0.000 0.353 253 H C -1.131 173.949 175.328 -0.413 0.000 1.109 253 H CA -0.837 54.846 56.048 -0.610 0.000 1.192 253 H CB 1.572 30.427 29.762 -1.512 0.000 1.555 253 H HN 0.162 nan 8.280 nan 0.000 0.518 254 L N 3.739 124.915 121.223 -0.078 0.000 2.365 254 L HA 0.564 4.903 4.340 -0.000 0.000 0.273 254 L C -1.645 175.296 176.870 0.118 0.000 1.000 254 L CA -0.698 54.123 54.840 -0.033 0.000 0.819 254 L CB 1.154 43.177 42.059 -0.059 0.000 1.284 254 L HN 0.617 nan 8.230 nan 0.000 0.418 255 L N 4.246 125.588 121.223 0.198 0.000 2.410 255 L HA 0.591 4.930 4.340 -0.000 0.000 0.270 255 L C -1.357 175.780 176.870 0.446 0.000 0.983 255 L CA -0.647 54.370 54.840 0.296 0.000 0.822 255 L CB 2.250 44.414 42.059 0.176 0.000 1.285 255 L HN 0.710 nan 8.230 nan 0.000 0.409 256 D N 0.774 121.448 120.400 0.456 0.000 2.559 256 D HA 0.826 5.466 4.640 -0.000 0.000 0.250 256 D C -1.067 175.313 176.300 0.133 0.000 1.135 256 D CA -0.616 53.544 54.000 0.266 0.000 0.955 256 D CB 2.296 43.159 40.800 0.104 0.000 1.442 256 D HN 0.252 nan 8.370 nan 0.000 0.471 257 E N -1.128 118.938 120.200 -0.224 0.000 2.389 257 E HA 0.474 4.824 4.350 -0.000 0.000 0.281 257 E C -2.012 174.290 176.600 -0.495 0.000 1.072 257 E CA -0.742 55.338 56.400 -0.533 0.000 0.845 257 E CB 1.639 30.545 29.700 -1.324 0.000 1.239 257 E HN 0.473 nan 8.360 nan 0.000 0.434 258 R N 2.294 122.473 120.500 -0.535 0.000 2.460 258 R HA 0.733 5.073 4.340 -0.000 0.000 0.303 258 R C -1.449 174.455 176.300 -0.659 0.000 0.968 258 R CA -0.181 55.670 56.100 -0.414 0.000 0.889 258 R CB 0.443 30.587 30.300 -0.260 0.000 1.123 258 R HN 0.353 nan 8.270 nan 0.000 0.455 259 F N 1.135 120.708 119.950 -0.629 0.000 2.561 259 F HA 0.253 4.780 4.527 -0.001 0.000 0.321 259 F C 1.722 177.168 175.800 -0.589 0.000 1.065 259 F CA -0.288 57.270 58.000 -0.736 0.000 0.934 259 F CB 2.085 40.231 39.000 -1.423 0.000 1.215 259 F HN 0.788 nan 8.300 nan 0.000 0.471 260 T N -1.465 112.993 114.554 -0.159 0.000 2.736 260 T HA -0.281 4.069 4.350 -0.000 0.000 0.265 260 T C 1.195 175.900 174.700 0.009 0.000 1.031 260 T CA 2.232 64.316 62.100 -0.027 0.000 1.155 260 T CB -0.525 68.417 68.868 0.123 0.000 0.849 260 T HN 0.775 nan 8.240 nan 0.000 0.471 261 W N 1.532 122.878 121.300 0.077 0.000 3.220 261 W HA 0.615 5.274 4.660 -0.001 0.000 0.328 261 W C 0.506 177.036 176.519 0.017 0.000 1.205 261 W CA -0.408 56.953 57.345 0.027 0.000 1.773 261 W CB -0.543 28.909 29.460 -0.013 0.000 1.086 261 W HN 0.659 nan 8.180 nan 0.000 0.622 262 G N 0.249 108.851 108.800 -0.330 0.000 2.350 262 G HA2 0.304 4.264 3.960 -0.000 0.000 0.305 262 G HA3 0.304 4.264 3.960 -0.000 0.000 0.305 262 G C -0.854 173.864 174.900 -0.303 0.000 1.479 262 G CA -0.494 44.482 45.100 -0.206 0.000 0.949 262 G HN 0.283 nan 8.290 nan 0.000 0.651 263 G N -1.395 107.322 108.800 -0.140 0.000 2.444 263 G HA2 0.661 4.620 3.960 -0.000 0.000 0.268 263 G HA3 0.661 4.620 3.960 -0.000 0.000 0.268 263 G C -0.556 174.313 174.900 -0.052 0.000 1.203 263 G CA -0.225 44.813 45.100 -0.104 0.000 0.835 263 G HN 1.339 nan 8.290 nan 0.000 0.543 264 V N 2.054 121.940 119.914 -0.046 0.000 2.569 264 V HA 0.323 4.442 4.120 -0.000 0.000 0.301 264 V C -0.714 175.432 176.094 0.086 0.000 1.044 264 V CA -0.835 61.481 62.300 0.026 0.000 0.874 264 V CB 1.840 33.648 31.823 -0.026 0.000 1.002 264 V HN 0.871 nan 8.190 nan 0.000 0.424 265 E N 4.282 124.594 120.200 0.187 0.000 2.133 265 E HA 0.585 4.934 4.350 -0.000 0.000 0.274 265 E C -0.966 175.776 176.600 0.237 0.000 0.930 265 E CA -0.656 55.865 56.400 0.202 0.000 0.770 265 E CB 2.235 32.082 29.700 0.245 0.000 1.104 265 E HN 0.447 nan 8.360 nan 0.000 0.403 266 L N 4.172 125.504 121.223 0.181 0.000 2.298 266 L HA 0.322 4.661 4.340 -0.000 0.000 0.284 266 L C -1.239 175.686 176.870 0.091 0.000 1.013 266 L CA -0.447 54.495 54.840 0.170 0.000 0.824 266 L CB 0.400 42.594 42.059 0.225 0.000 1.221 266 L HN 0.577 nan 8.230 nan 0.000 0.418 267 H N 5.835 124.959 119.070 0.091 0.000 2.472 267 H HA 0.712 5.267 4.556 -0.000 0.000 0.338 267 H C -0.969 174.272 175.328 -0.145 0.000 1.133 267 H CA -0.033 55.949 56.048 -0.110 0.000 1.216 267 H CB 1.678 31.108 29.762 -0.553 0.000 1.497 267 H HN 0.659 nan 8.280 nan 0.000 0.500 268 F N -0.967 118.890 119.950 -0.155 0.000 2.842 268 F HA 0.347 4.874 4.527 -0.000 0.000 0.319 268 F C -1.918 174.014 175.800 0.219 0.000 1.159 268 F CA -1.246 56.772 58.000 0.029 0.000 0.902 268 F CB 0.891 39.849 39.000 -0.071 0.000 1.311 268 F HN 0.172 nan 8.300 nan 0.000 0.453 269 D N 1.021 121.609 120.400 0.313 0.000 2.342 269 D HA 0.672 5.312 4.640 -0.000 0.000 0.243 269 D C -1.088 175.201 176.300 -0.020 0.000 1.019 269 D CA -0.350 53.697 54.000 0.079 0.000 0.864 269 D CB 2.631 43.522 40.800 0.152 0.000 1.315 269 D HN 0.551 nan 8.370 nan 0.000 0.468 270 V N 1.586 121.386 119.914 -0.190 0.000 2.487 270 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 270 V C -0.282 175.798 176.094 -0.024 0.000 1.028 270 V CA -0.684 61.520 62.300 -0.159 0.000 0.860 270 V CB 1.713 33.285 31.823 -0.417 0.000 0.991 270 V HN 0.402 nan 8.190 nan 0.000 0.427 271 E N 3.324 123.549 120.200 0.041 0.000 2.263 271 E HA 0.503 4.853 4.350 -0.000 0.000 0.268 271 E C -1.019 175.637 176.600 0.092 0.000 0.884 271 E CA -0.934 55.499 56.400 0.056 0.000 0.766 271 E CB 1.760 31.484 29.700 0.039 0.000 1.196 271 E HN 0.636 nan 8.360 nan 0.000 0.416 272 K N 1.547 122.002 120.400 0.092 0.000 3.419 272 K HA -0.262 4.058 4.320 -0.000 0.000 0.272 272 K C 0.621 177.361 176.600 0.234 0.000 0.973 272 K CA 0.500 56.857 56.287 0.117 0.000 0.749 272 K CB -1.867 30.673 32.500 0.066 0.000 1.403 272 K HN 1.110 nan 8.250 nan 0.000 0.456 273 G N -0.060 108.863 108.800 0.205 0.000 2.200 273 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.268 273 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.268 273 G C -0.061 174.971 174.900 0.219 0.000 0.986 273 G CA 1.449 46.683 45.100 0.224 0.000 0.677 273 G HN 0.731 nan 8.290 nan 0.000 0.532 274 H N -1.249 117.880 119.070 0.098 0.000 2.771 274 H HA 0.683 5.238 4.556 -0.000 0.000 0.367 274 H C 0.468 175.840 175.328 0.072 0.000 1.172 274 H CA -1.112 54.996 56.048 0.100 0.000 1.186 274 H CB 0.980 30.781 29.762 0.066 0.000 1.790 274 H HN 0.143 nan 8.280 nan 0.000 0.556 275 I N 1.296 121.985 120.570 0.199 0.000 2.441 275 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 275 I C 0.939 177.143 176.117 0.144 0.000 1.049 275 I CA 0.124 61.507 61.300 0.137 0.000 1.381 275 I CB 1.252 39.312 38.000 0.101 0.000 1.409 275 I HN 0.808 nan 8.210 nan 0.000 0.523 276 T N 2.932 117.567 114.554 0.135 0.000 3.015 276 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 276 T C 0.518 175.299 174.700 0.136 0.000 1.057 276 T CA -0.204 61.963 62.100 0.112 0.000 1.066 276 T CB 0.209 69.126 68.868 0.082 0.000 0.959 276 T HN 0.702 nan 8.240 nan 0.000 0.488 277 R N 0.035 120.662 120.500 0.212 0.000 2.692 277 R HA 0.814 5.154 4.340 -0.000 0.000 0.269 277 R C -2.052 174.521 176.300 0.454 0.000 1.030 277 R CA -1.215 55.065 56.100 0.300 0.000 0.882 277 R CB 1.286 31.737 30.300 0.252 0.000 1.250 277 R HN 0.207 nan 8.270 nan 0.000 0.465 278 A N 1.082 124.154 122.820 0.421 0.000 2.594 278 A HA 0.561 4.881 4.320 -0.000 0.000 0.296 278 A C -1.793 175.800 177.584 0.015 0.000 1.056 278 A CA -0.670 51.464 52.037 0.162 0.000 0.693 278 A CB 2.461 21.518 19.000 0.096 0.000 1.278 278 A HN 0.759 nan 8.150 nan 0.000 0.408 279 Q N 0.586 120.249 119.800 -0.228 0.000 2.377 279 Q HA 0.680 5.020 4.340 -0.000 0.000 0.279 279 Q C -2.255 173.633 176.000 -0.186 0.000 1.049 279 Q CA -0.574 55.106 55.803 -0.204 0.000 0.825 279 Q CB 2.628 31.244 28.738 -0.203 0.000 1.401 279 Q HN 0.826 nan 8.270 nan 0.000 0.404 280 V N 4.301 124.035 119.914 -0.300 0.000 2.483 280 V HA 0.563 4.683 4.120 -0.000 0.000 0.297 280 V C -1.162 174.707 176.094 -0.375 0.000 1.027 280 V CA -0.375 61.820 62.300 -0.175 0.000 0.855 280 V CB 1.225 33.013 31.823 -0.058 0.000 0.995 280 V HN 0.658 nan 8.190 nan 0.000 0.424 281 F N 2.535 122.566 119.950 0.136 0.000 2.497 281 F HA 0.867 5.394 4.527 -0.001 0.000 0.331 281 F C 0.556 176.404 175.800 0.079 0.000 1.060 281 F CA -0.407 57.655 58.000 0.103 0.000 0.989 281 F CB 2.252 41.327 39.000 0.125 0.000 1.245 281 F HN 0.463 nan 8.300 nan 0.000 0.486 282 T N -0.854 113.857 114.554 0.262 0.000 2.733 282 T HA 0.271 4.620 4.350 -0.000 0.000 0.312 282 T C -1.366 173.408 174.700 0.124 0.000 1.590 282 T CA -0.642 61.551 62.100 0.155 0.000 1.005 282 T CB 1.265 70.210 68.868 0.128 0.000 1.528 282 T HN 0.708 nan 8.240 nan 0.000 0.496 283 D N 0.357 120.810 120.400 0.088 0.000 2.503 283 D HA 0.223 4.863 4.640 -0.000 0.000 0.218 283 D C 0.744 177.097 176.300 0.089 0.000 1.183 283 D CA -0.077 53.966 54.000 0.072 0.000 0.827 283 D CB 0.022 40.848 40.800 0.042 0.000 1.034 283 D HN 0.452 nan 8.370 nan 0.000 0.510 284 S N 0.667 116.445 115.700 0.130 0.000 2.563 284 S HA -0.011 4.459 4.470 -0.000 0.000 0.294 284 S C 1.564 176.242 174.600 0.130 0.000 1.279 284 S CA -0.486 57.829 58.200 0.193 0.000 1.069 284 S CB 0.212 63.610 63.200 0.331 0.000 0.828 284 S HN 0.275 nan 8.310 nan 0.000 0.497 285 L N 2.701 123.998 121.223 0.122 0.000 2.013 285 L HA -0.127 4.212 4.340 -0.000 0.000 0.212 285 L C 1.427 178.339 176.870 0.070 0.000 1.073 285 L CA 1.347 56.239 54.840 0.088 0.000 0.753 285 L CB -0.566 41.545 42.059 0.086 0.000 0.890 285 L HN 0.684 nan 8.230 nan 0.000 0.432 286 N N 0.082 118.816 118.700 0.058 0.000 2.589 286 N HA 0.127 4.867 4.740 -0.000 0.000 0.232 286 N C -1.787 173.737 175.510 0.024 0.000 1.015 286 N CA -2.190 50.883 53.050 0.038 0.000 0.931 286 N CB 1.147 39.650 38.487 0.027 0.000 1.150 286 N HN -0.058 nan 8.380 nan 0.000 0.512 287 P HA -0.004 nan 4.420 nan 0.000 0.229 287 P C 1.032 178.330 177.300 -0.004 0.000 1.160 287 P CA 0.347 63.465 63.100 0.030 0.000 0.777 287 P CB 0.285 32.017 31.700 0.053 0.000 0.814 288 A N 2.573 125.413 122.820 0.033 0.000 1.906 288 A HA -0.190 4.130 4.320 -0.000 0.000 0.222 288 A C 0.112 177.634 177.584 -0.103 0.000 1.282 288 A CA 2.900 54.983 52.037 0.077 0.000 0.675 288 A CB -2.434 16.722 19.000 0.259 0.000 0.838 288 A HN 0.272 nan 8.150 nan 0.000 0.469 289 P HA -0.051 nan 4.420 nan 0.000 0.226 289 P C 1.380 178.396 177.300 -0.473 0.000 1.153 289 P CA 0.925 63.412 63.100 -1.022 0.000 0.777 289 P CB -0.139 30.838 31.700 -1.205 0.000 0.794 290 L N -0.430 120.645 121.223 -0.245 0.000 2.131 290 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 290 L C 2.654 179.477 176.870 -0.078 0.000 1.087 290 L CA 1.235 56.007 54.840 -0.114 0.000 0.767 290 L CB -1.029 41.011 42.059 -0.031 0.000 0.917 290 L HN -0.063 nan 8.230 nan 0.000 0.441 291 E N 0.822 120.987 120.200 -0.059 0.000 2.051 291 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 291 E C 2.210 178.804 176.600 -0.009 0.000 0.991 291 E CA 1.304 57.689 56.400 -0.024 0.000 0.799 291 E CB -0.173 29.536 29.700 0.014 0.000 0.748 291 E HN 0.464 nan 8.360 nan 0.000 0.449 292 A N 0.517 123.337 122.820 0.000 0.000 2.209 292 A HA -0.061 4.258 4.320 -0.000 0.000 0.212 292 A C 1.942 179.526 177.584 0.001 0.000 1.158 292 A CA 0.465 52.527 52.037 0.042 0.000 0.742 292 A CB -0.191 18.904 19.000 0.159 0.000 0.790 292 A HN 0.184 nan 8.150 nan 0.000 0.472 293 L N -0.623 120.570 121.223 -0.049 0.000 2.102 293 L HA 0.168 4.508 4.340 -0.000 0.000 0.202 293 L C 2.594 179.451 176.870 -0.022 0.000 1.076 293 L CA 1.962 56.776 54.840 -0.043 0.000 0.761 293 L CB -0.837 41.187 42.059 -0.059 0.000 0.921 293 L HN 0.263 nan 8.230 nan 0.000 0.444 294 A N -0.270 122.535 122.820 -0.026 0.000 1.986 294 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 294 A C 2.293 179.879 177.584 0.004 0.000 1.171 294 A CA 1.689 53.714 52.037 -0.020 0.000 0.640 294 A CB -1.638 17.338 19.000 -0.041 0.000 0.811 294 A HN 0.559 nan 8.150 nan 0.000 0.451 295 G N -0.622 108.185 108.800 0.011 0.000 2.422 295 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.218 295 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.218 295 G C 1.532 176.450 174.900 0.030 0.000 1.146 295 G CA 0.675 45.792 45.100 0.028 0.000 0.769 295 G HN 0.587 nan 8.290 nan 0.000 0.547 296 R N -0.233 120.281 120.500 0.023 0.000 2.426 296 R HA 0.401 4.741 4.340 -0.000 0.000 0.263 296 R C 1.317 177.626 176.300 0.014 0.000 0.961 296 R CA -0.265 55.849 56.100 0.023 0.000 1.086 296 R CB 0.100 30.414 30.300 0.024 0.000 1.186 296 R HN 0.290 nan 8.270 nan 0.000 0.537 297 L N 0.402 121.631 121.223 0.010 0.000 2.470 297 L HA 0.094 4.434 4.340 -0.000 0.000 0.219 297 L C 0.360 177.245 176.870 0.025 0.000 1.071 297 L CA 0.309 55.147 54.840 -0.004 0.000 0.850 297 L CB 0.228 42.265 42.059 -0.037 0.000 1.040 297 L HN 0.210 nan 8.230 nan 0.000 0.475 298 Q N 0.787 120.615 119.800 0.048 0.000 2.308 298 Q HA 0.005 4.344 4.340 -0.000 0.000 0.313 298 Q C 1.187 177.234 176.000 0.078 0.000 1.075 298 Q CA 1.188 57.034 55.803 0.073 0.000 0.995 298 Q CB -0.031 28.749 28.738 0.070 0.000 1.107 298 Q HN 0.495 nan 8.270 nan 0.000 0.380 299 G N 1.401 110.263 108.800 0.103 0.000 2.225 299 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.254 299 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.254 299 G C 0.470 175.480 174.900 0.184 0.000 0.988 299 G CA -0.013 45.164 45.100 0.128 0.000 0.625 299 G HN 0.793 nan 8.290 nan 0.000 0.527 300 C N 1.624 120.994 119.300 0.117 0.000 2.611 300 C HA 0.439 4.899 4.460 -0.000 0.000 0.416 300 C C 1.534 176.538 174.990 0.024 0.000 1.366 300 C CA -0.242 58.818 59.018 0.071 0.000 1.761 300 C CB -0.654 27.097 27.740 0.020 0.000 2.619 300 C HN 0.979 nan 8.230 nan 0.000 0.606 301 L N 7.081 128.233 121.223 -0.119 0.000 2.584 301 L HA 0.096 4.436 4.340 -0.000 0.000 0.272 301 L C -0.051 176.716 176.870 -0.172 0.000 1.195 301 L CA 0.387 54.977 54.840 -0.417 0.000 0.920 301 L CB -0.148 41.704 42.059 -0.344 0.000 1.173 301 L HN 0.755 nan 8.230 nan 0.000 0.489 302 Y N 6.856 127.004 120.300 -0.254 0.000 2.604 302 Y HA 0.320 4.870 4.550 -0.000 0.000 0.341 302 Y C 0.163 175.990 175.900 -0.122 0.000 1.249 302 Y CA 0.105 58.120 58.100 -0.142 0.000 1.926 302 Y CB -0.554 37.867 38.460 -0.064 0.000 1.941 302 Y HN 0.707 nan 8.280 nan 0.000 0.426 303 R N 1.981 122.218 120.500 -0.438 0.000 2.643 303 R HA 0.571 4.911 4.340 -0.000 0.000 0.269 303 R C 0.540 176.651 176.300 -0.314 0.000 1.037 303 R CA 0.075 55.932 56.100 -0.404 0.000 0.894 303 R CB 1.201 31.360 30.300 -0.236 0.000 1.238 303 R HN 0.384 nan 8.270 nan 0.000 0.459 304 A N 2.416 125.072 122.820 -0.274 0.000 1.873 304 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 304 A C 0.590 178.090 177.584 -0.140 0.000 1.193 304 A CA 2.005 53.920 52.037 -0.203 0.000 0.629 304 A CB -0.972 17.934 19.000 -0.157 0.000 0.826 304 A HN 0.895 nan 8.150 nan 0.000 0.447 308 Q N 0.607 120.368 119.800 -0.064 0.000 2.119 308 Q HA -0.233 4.107 4.340 -0.000 0.000 0.201 308 Q C 1.810 177.797 176.000 -0.021 0.000 0.972 308 Q CA 2.018 57.801 55.803 -0.034 0.000 0.847 308 Q CB 0.164 28.883 28.738 -0.032 0.000 0.903 308 Q HN 0.314 nan 8.270 nan 0.000 0.433 309 Q N 0.950 120.734 119.800 -0.027 0.000 2.046 309 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 309 Q C 1.707 177.702 176.000 -0.008 0.000 0.975 309 Q CA 1.489 57.283 55.803 -0.015 0.000 0.836 309 Q CB 0.091 28.817 28.738 -0.019 0.000 0.896 309 Q HN 0.237 nan 8.270 nan 0.000 0.428 310 E N -0.130 120.062 120.200 -0.013 0.000 2.028 310 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 310 E C 2.230 178.829 176.600 -0.002 0.000 0.988 310 E CA 1.033 57.430 56.400 -0.005 0.000 0.799 310 E CB -1.093 28.602 29.700 -0.009 0.000 0.755 310 E HN 0.481 nan 8.360 nan 0.000 0.447 311 C N 1.702 120.995 119.300 -0.011 0.000 2.363 311 C HA -0.225 4.235 4.460 -0.000 0.000 0.274 311 C C 2.494 177.481 174.990 -0.005 0.000 1.183 311 C CA 1.729 60.740 59.018 -0.011 0.000 1.771 311 C CB -0.882 26.857 27.740 -0.002 0.000 2.059 311 C HN 0.448 nan 8.230 nan 0.000 0.455 312 E N -0.045 120.157 120.200 0.003 0.000 2.274 312 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 312 E C 2.243 178.856 176.600 0.022 0.000 0.996 312 E CA 0.890 57.296 56.400 0.010 0.000 0.840 312 E CB -0.220 29.486 29.700 0.009 0.000 0.772 312 E HN 0.767 nan 8.360 nan 0.000 0.491 313 A N 0.802 123.636 122.820 0.023 0.000 2.125 313 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 313 A C 1.992 179.611 177.584 0.058 0.000 1.156 313 A CA 0.717 52.774 52.037 0.033 0.000 0.671 313 A CB -0.394 18.622 19.000 0.027 0.000 0.794 313 A HN 0.186 nan 8.150 nan 0.000 0.459 314 L N -1.179 120.090 121.223 0.077 0.000 2.291 314 L HA -0.106 4.233 4.340 -0.000 0.000 0.214 314 L C 2.402 179.409 176.870 0.229 0.000 1.120 314 L CA 0.493 55.434 54.840 0.168 0.000 0.799 314 L CB -0.409 41.720 42.059 0.118 0.000 0.925 314 L HN 0.433 nan 8.230 nan 0.000 0.446 315 L N -0.517 120.780 121.223 0.123 0.000 1.997 315 L HA -0.289 4.051 4.340 -0.000 0.000 0.216 315 L C 2.519 179.444 176.870 0.092 0.000 1.074 315 L CA 1.363 56.268 54.840 0.107 0.000 0.763 315 L CB -0.308 41.781 42.059 0.050 0.000 0.890 315 L HN -0.011 nan 8.230 nan 0.000 0.434 316 V N -0.387 119.557 119.914 0.050 0.000 2.660 316 V HA -0.302 3.818 4.120 -0.000 0.000 0.257 316 V C 1.099 177.170 176.094 -0.038 0.000 1.088 316 V CA 2.215 64.519 62.300 0.008 0.000 1.106 316 V CB -0.478 31.345 31.823 -0.000 0.000 0.686 316 V HN 0.557 nan 8.190 nan 0.000 0.481 317 D N -1.885 118.470 120.400 -0.075 0.000 2.431 317 D HA 0.164 4.804 4.640 -0.000 0.000 0.213 317 D C 0.137 176.097 176.300 -0.566 0.000 1.130 317 D CA 0.111 53.937 54.000 -0.290 0.000 0.834 317 D CB 0.445 41.020 40.800 -0.375 0.000 0.985 317 D HN 0.517 nan 8.370 nan 0.000 0.504 318 F N 0.569 120.496 119.950 -0.039 0.000 2.790 318 F HA 0.230 4.756 4.527 -0.001 0.000 0.371 318 F C -1.471 174.292 175.800 -0.061 0.000 1.293 318 F CA -1.543 56.424 58.000 -0.055 0.000 1.205 318 F CB 1.174 40.130 39.000 -0.073 0.000 1.047 318 F HN -0.166 nan 8.300 nan 0.000 0.510 319 P HA -0.220 nan 4.420 nan 0.000 0.216 319 P C 1.322 178.634 177.300 0.020 0.000 1.153 319 P CA 1.554 64.670 63.100 0.027 0.000 0.858 319 P CB 0.488 32.188 31.700 -0.000 0.000 0.789 320 E N -0.214 120.000 120.200 0.023 0.000 2.219 320 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 320 E C 1.330 177.911 176.600 -0.032 0.000 0.998 320 E CA 1.276 57.679 56.400 0.005 0.000 0.818 320 E CB -0.673 29.035 29.700 0.013 0.000 0.741 320 E HN 0.347 nan 8.360 nan 0.000 0.477 321 Q N -0.588 119.198 119.800 -0.025 0.000 2.186 321 Q HA 0.071 4.411 4.340 -0.000 0.000 0.241 321 Q C 1.009 176.900 176.000 -0.181 0.000 0.849 321 Q CA -0.088 55.622 55.803 -0.156 0.000 1.053 321 Q CB 0.707 29.328 28.738 -0.195 0.000 1.146 321 Q HN 0.174 nan 8.270 nan 0.000 0.475 322 E N 1.413 121.555 120.200 -0.095 0.000 2.204 322 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 322 E C 1.263 177.804 176.600 -0.098 0.000 0.990 322 E CA 1.166 57.523 56.400 -0.071 0.000 0.821 322 E CB 0.297 29.982 29.700 -0.025 0.000 0.750 322 E HN 0.324 nan 8.360 nan 0.000 0.477 323 K N 0.354 120.675 120.400 -0.132 0.000 2.021 323 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 323 K C 2.000 178.489 176.600 -0.185 0.000 1.047 323 K CA 1.284 57.510 56.287 -0.102 0.000 0.943 323 K CB 0.040 32.499 32.500 -0.068 0.000 0.725 323 K HN -0.062 nan 8.250 nan 0.000 0.439 324 E N 1.420 121.317 120.200 -0.504 0.000 2.055 324 E HA -0.255 4.095 4.350 -0.000 0.000 0.209 324 E C 2.005 178.362 176.600 -0.405 0.000 1.036 324 E CA 2.064 57.918 56.400 -0.909 0.000 0.849 324 E CB -0.521 28.259 29.700 -1.532 0.000 0.767 324 E HN 0.255 nan 8.360 nan 0.000 0.461 325 L N 0.068 121.102 121.223 -0.315 0.000 1.990 325 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 325 L C 2.550 179.398 176.870 -0.037 0.000 1.072 325 L CA 1.433 56.180 54.840 -0.156 0.000 0.755 325 L CB -0.428 41.554 42.059 -0.128 0.000 0.889 325 L HN 0.047 nan 8.230 nan 0.000 0.432 326 R N 0.430 120.920 120.500 -0.017 0.000 2.112 326 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 326 R C 2.193 178.564 176.300 0.118 0.000 1.137 326 R CA 1.763 57.891 56.100 0.045 0.000 0.944 326 R CB -0.535 29.790 30.300 0.042 0.000 0.857 326 R HN 0.445 nan 8.270 nan 0.000 0.435 327 E N -0.210 120.088 120.200 0.164 0.000 2.077 327 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 327 E C 2.066 178.905 176.600 0.398 0.000 0.989 327 E CA 1.163 57.757 56.400 0.322 0.000 0.800 327 E CB -0.197 29.785 29.700 0.470 0.000 0.746 327 E HN 0.238 nan 8.360 nan 0.000 0.452 328 L N 0.688 122.051 121.223 0.234 0.000 1.990 328 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 328 L C 2.723 179.793 176.870 0.334 0.000 1.072 328 L CA 1.322 56.343 54.840 0.302 0.000 0.755 328 L CB -0.549 41.587 42.059 0.129 0.000 0.889 328 L HN 0.158 nan 8.230 nan 0.000 0.432 329 S N -0.618 115.191 115.700 0.182 0.000 2.354 329 S HA -0.270 4.200 4.470 -0.000 0.000 0.219 329 S C 2.148 176.835 174.600 0.145 0.000 1.035 329 S CA 1.532 59.803 58.200 0.119 0.000 1.037 329 S CB -0.319 62.922 63.200 0.067 0.000 0.956 329 S HN 0.456 nan 8.310 nan 0.000 0.428 330 A N 1.197 124.121 122.820 0.174 0.000 1.896 330 A HA -0.131 4.188 4.320 -0.000 0.000 0.220 330 A C 1.176 178.895 177.584 0.225 0.000 1.206 330 A CA 1.692 53.833 52.037 0.173 0.000 0.647 330 A CB -1.508 17.607 19.000 0.191 0.000 0.828 330 A HN 0.810 nan 8.150 nan 0.000 0.455 334 G N 0.224 108.979 108.800 -0.074 0.000 2.484 334 G HA2 0.269 4.229 3.960 -0.000 0.000 0.218 334 G HA3 0.269 4.229 3.960 -0.000 0.000 0.218 334 G C 1.287 176.130 174.900 -0.095 0.000 1.130 334 G CA 1.583 46.654 45.100 -0.050 0.000 0.784 334 G HN 1.273 nan 8.290 nan 0.000 0.543 335 A N -0.292 122.403 122.820 -0.208 0.000 2.147 335 A HA 0.463 4.782 4.320 -0.000 0.000 0.211 335 A C 2.328 179.820 177.584 -0.152 0.000 1.160 335 A CA 0.613 52.506 52.037 -0.240 0.000 0.781 335 A CB -0.017 18.641 19.000 -0.570 0.000 0.842 335 A HN 0.149 nan 8.150 nan 0.000 0.475 336 V N 0.756 120.575 119.914 -0.157 0.000 2.214 336 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 336 V C 1.667 177.751 176.094 -0.016 0.000 1.047 336 V CA 1.807 64.035 62.300 -0.119 0.000 0.998 336 V CB -0.620 31.034 31.823 -0.282 0.000 0.633 336 V HN 0.607 nan 8.190 nan 0.000 0.446 337 R N 0.000 120.476 120.500 -0.040 0.000 2.786 337 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 337 R CA 0.000 56.103 56.100 0.005 0.000 0.921 337 R CB 0.000 30.292 30.300 -0.013 0.000 0.687 337 R HN 0.000 nan 8.270 nan 0.000 0.535