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_B 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 0.000 174.592 174.600 -0.014 0.000 1.055 1 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 2 T N 0.434 114.971 114.554 -0.029 0.000 3.086 2 T HA 0.425 4.775 4.350 -0.000 0.000 0.250 2 T C 0.322 175.002 174.700 -0.034 0.000 1.074 2 T CA 0.159 62.237 62.100 -0.037 0.000 0.988 2 T CB -0.406 68.428 68.868 -0.058 0.000 0.988 2 T HN 0.403 nan 8.240 nan 0.000 0.530 3 L N 1.053 122.281 121.223 0.009 0.000 2.334 3 L HA 0.680 5.020 4.340 -0.000 0.000 0.273 3 L C 0.103 177.086 176.870 0.189 0.000 1.013 3 L CA -1.340 53.577 54.840 0.128 0.000 0.816 3 L CB 1.725 43.902 42.059 0.196 0.000 1.278 3 L HN -0.143 nan 8.230 nan 0.000 0.431 4 R N 2.312 122.947 120.500 0.226 0.000 2.437 4 R HA 0.540 4.880 4.340 -0.000 0.000 0.310 4 R C -1.402 175.010 176.300 0.187 0.000 0.955 4 R CA -0.910 55.289 56.100 0.165 0.000 0.851 4 R CB 2.474 32.819 30.300 0.076 0.000 1.161 4 R HN 0.357 nan 8.270 nan 0.000 0.446 5 L N 5.210 126.548 121.223 0.192 0.000 2.295 5 L HA 0.402 4.742 4.340 -0.000 0.000 0.281 5 L C -1.183 175.751 176.870 0.107 0.000 1.018 5 L CA -0.259 54.660 54.840 0.133 0.000 0.841 5 L CB 0.888 43.086 42.059 0.232 0.000 1.218 5 L HN 0.485 nan 8.230 nan 0.000 0.424 6 L N 6.125 127.418 121.223 0.117 0.000 2.272 6 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 6 L C -0.615 176.461 176.870 0.344 0.000 1.032 6 L CA -0.545 54.422 54.840 0.212 0.000 0.810 6 L CB 1.326 43.470 42.059 0.142 0.000 1.205 6 L HN 0.408 nan 8.230 nan 0.000 0.422 7 I N 2.336 123.056 120.570 0.250 0.000 2.355 7 I HA 0.165 4.335 4.170 -0.000 0.000 0.288 7 I C 0.463 176.754 176.117 0.290 0.000 0.999 7 I CA -0.155 61.269 61.300 0.205 0.000 1.163 7 I CB 1.536 39.599 38.000 0.105 0.000 1.316 7 I HN 0.529 nan 8.210 nan 0.000 0.454 8 S N 4.025 119.956 115.700 0.385 0.000 2.510 8 S HA 0.056 4.526 4.470 -0.000 0.000 0.279 8 S C 0.729 175.452 174.600 0.205 0.000 1.284 8 S CA -0.113 58.345 58.200 0.430 0.000 1.059 8 S CB 0.235 63.763 63.200 0.546 0.000 0.901 8 S HN 0.531 nan 8.310 nan 0.000 0.491 9 D N 2.992 123.446 120.400 0.089 0.000 2.336 9 D HA 0.207 4.847 4.640 -0.000 0.000 0.228 9 D C -0.098 176.058 176.300 -0.241 0.000 1.120 9 D CA 0.221 54.185 54.000 -0.061 0.000 0.839 9 D CB 0.168 40.922 40.800 -0.078 0.000 0.932 9 D HN 0.388 nan 8.370 nan 0.000 0.509 10 S N -0.777 114.820 115.700 -0.171 0.000 2.536 10 S HA 0.272 4.742 4.470 -0.000 0.000 0.298 10 S C -0.003 174.536 174.600 -0.102 0.000 1.083 10 S CA -0.587 57.442 58.200 -0.285 0.000 0.995 10 S CB 0.573 63.560 63.200 -0.355 0.000 1.058 10 S HN -0.018 nan 8.310 nan 0.000 0.488 11 Y N 0.913 121.236 120.300 0.038 0.000 2.466 11 Y HA 0.289 4.839 4.550 -0.000 0.000 0.272 11 Y C 1.010 176.924 175.900 0.023 0.000 1.169 11 Y CA -0.875 57.244 58.100 0.030 0.000 1.285 11 Y CB -0.285 38.172 38.460 -0.004 0.000 1.078 11 Y HN 0.546 nan 8.280 nan 0.000 0.523 12 D N 3.432 123.930 120.400 0.162 0.000 2.349 12 D HA -0.004 4.636 4.640 -0.000 0.000 0.266 12 D C -1.631 174.732 176.300 0.106 0.000 1.293 12 D CA -1.566 52.545 54.000 0.186 0.000 0.926 12 D CB 1.361 42.329 40.800 0.280 0.000 1.090 12 D HN 0.116 nan 8.370 nan 0.000 0.502 13 P HA -0.080 nan 4.420 nan 0.000 0.223 13 P C 1.400 178.522 177.300 -0.296 0.000 1.151 13 P CA 0.660 63.524 63.100 -0.394 0.000 0.787 13 P CB 0.147 31.384 31.700 -0.772 0.000 0.788 14 W N -0.849 120.552 121.300 0.169 0.000 2.443 14 W HA -0.015 4.645 4.660 -0.000 0.000 0.296 14 W C 2.285 178.962 176.519 0.263 0.000 1.202 14 W CA 0.191 57.689 57.345 0.255 0.000 1.312 14 W CB -1.572 28.111 29.460 0.372 0.000 1.120 14 W HN -0.081 nan 8.180 nan 0.000 0.536 15 F N 2.646 122.742 119.950 0.244 0.000 2.026 15 F HA -0.287 4.240 4.527 0.000 0.000 0.296 15 F C 2.116 177.821 175.800 -0.158 0.000 1.133 15 F CA 2.142 59.944 58.000 -0.329 0.000 1.188 15 F CB -0.923 37.893 39.000 -0.307 0.000 0.968 15 F HN -0.278 nan 8.300 nan 0.000 0.476 16 N N 0.915 119.633 118.700 0.030 0.000 2.132 16 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 16 N C 2.059 177.323 175.510 -0.411 0.000 1.015 16 N CA 1.725 54.650 53.050 -0.209 0.000 0.864 16 N CB -0.726 37.587 38.487 -0.290 0.000 1.006 16 N HN 0.404 nan 8.380 nan 0.000 0.430 17 L N 0.536 121.571 121.223 -0.313 0.000 2.072 17 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 17 L C 2.347 179.108 176.870 -0.182 0.000 1.079 17 L CA 0.915 55.615 54.840 -0.232 0.000 0.752 17 L CB -0.402 41.589 42.059 -0.114 0.000 0.906 17 L HN 0.103 nan 8.230 nan 0.000 0.436 18 A N -0.330 122.379 122.820 -0.185 0.000 1.903 18 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 18 A C 2.251 179.700 177.584 -0.224 0.000 1.191 18 A CA 2.351 54.238 52.037 -0.251 0.000 0.638 18 A CB -1.050 17.682 19.000 -0.446 0.000 0.823 18 A HN 0.244 nan 8.150 nan 0.000 0.451 19 V N -0.161 119.573 119.914 -0.300 0.000 2.233 19 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 19 V C 2.419 178.320 176.094 -0.321 0.000 1.050 19 V CA 2.330 64.387 62.300 -0.404 0.000 1.010 19 V CB -0.979 30.281 31.823 -0.938 0.000 0.637 19 V HN 0.640 nan 8.190 nan 0.000 0.444 20 E N -0.518 119.544 120.200 -0.231 0.000 2.171 20 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 20 E C 2.230 178.876 176.600 0.077 0.000 0.997 20 E CA 1.641 58.074 56.400 0.055 0.000 0.810 20 E CB -0.035 29.755 29.700 0.151 0.000 0.738 20 E HN 0.590 nan 8.360 nan 0.000 0.467 21 E N -0.114 120.059 120.200 -0.044 0.000 2.086 21 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 21 E C 1.952 178.551 176.600 -0.002 0.000 0.975 21 E CA 0.670 57.047 56.400 -0.038 0.000 0.813 21 E CB -0.198 29.444 29.700 -0.096 0.000 0.768 21 E HN 0.166 nan 8.360 nan 0.000 0.457 22 C N 0.177 119.455 119.300 -0.037 0.000 2.413 22 C HA -0.098 4.362 4.460 -0.000 0.000 0.276 22 C C 2.537 177.521 174.990 -0.009 0.000 1.248 22 C CA 0.716 59.723 59.018 -0.018 0.000 1.742 22 C CB -0.970 26.781 27.740 0.019 0.000 2.017 22 C HN 0.467 nan 8.230 nan 0.000 0.481 23 I N -0.238 120.338 120.570 0.011 0.000 2.226 23 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 23 I C 2.300 178.511 176.117 0.156 0.000 1.100 23 I CA 1.672 63.020 61.300 0.081 0.000 1.374 23 I CB -0.526 37.558 38.000 0.140 0.000 1.057 23 I HN 0.277 nan 8.210 nan 0.000 0.413 24 F N 2.124 122.061 119.950 -0.023 0.000 2.269 24 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 24 F C 2.375 178.080 175.800 -0.159 0.000 1.082 24 F CA 1.609 59.474 58.000 -0.225 0.000 1.360 24 F CB -0.005 38.605 39.000 -0.650 0.000 1.041 24 F HN 0.029 nan 8.300 nan 0.000 0.512 25 R N -1.799 118.585 120.500 -0.193 0.000 2.591 25 R HA 0.229 4.569 4.340 -0.000 0.000 0.288 25 R C 0.153 176.361 176.300 -0.154 0.000 0.947 25 R CA -0.341 55.596 56.100 -0.271 0.000 1.085 25 R CB -0.089 30.118 30.300 -0.155 0.000 1.618 25 R HN 0.142 nan 8.270 nan 0.000 0.524 29 A N 1.167 123.963 122.820 -0.039 0.000 2.190 29 A HA 0.269 4.589 4.320 -0.000 0.000 0.226 29 A C 1.255 178.835 177.584 -0.007 0.000 1.402 29 A CA 1.178 53.200 52.037 -0.026 0.000 1.288 29 A CB -1.158 17.825 19.000 -0.029 0.000 0.833 29 A HN 0.673 nan 8.150 nan 0.000 0.564 30 T N -4.075 110.475 114.554 -0.006 0.000 3.086 30 T HA 0.247 4.597 4.350 -0.000 0.000 0.250 30 T C 0.664 175.367 174.700 0.005 0.000 1.074 30 T CA 0.216 62.317 62.100 0.002 0.000 0.988 30 T CB 0.091 68.957 68.868 -0.002 0.000 0.988 30 T HN 0.570 nan 8.240 nan 0.000 0.530 31 Q N 0.089 119.891 119.800 0.003 0.000 3.156 31 Q HA 0.671 5.011 4.340 -0.000 0.000 0.301 31 Q C -1.189 174.816 176.000 0.009 0.000 1.026 31 Q CA -1.254 54.552 55.803 0.004 0.000 0.827 31 Q CB 1.548 30.293 28.738 0.011 0.000 1.490 31 Q HN 0.107 nan 8.270 nan 0.000 0.492 32 R N 0.145 120.659 120.500 0.023 0.000 2.393 32 R HA 0.517 4.857 4.340 -0.000 0.000 0.315 32 R C -1.407 175.034 176.300 0.235 0.000 0.952 32 R CA -0.336 55.823 56.100 0.099 0.000 0.842 32 R CB 1.773 32.072 30.300 -0.001 0.000 1.163 32 R HN 0.180 nan 8.270 nan 0.000 0.450 33 V N 4.515 124.528 119.914 0.165 0.000 2.417 33 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 33 V C -0.961 175.104 176.094 -0.050 0.000 1.024 33 V CA -0.869 61.478 62.300 0.078 0.000 0.861 33 V CB 1.659 33.496 31.823 0.023 0.000 0.985 33 V HN 0.516 nan 8.190 nan 0.000 0.436 34 L N 5.856 126.892 121.223 -0.312 0.000 2.356 34 L HA 0.750 5.090 4.340 -0.000 0.000 0.277 34 L C -1.375 175.351 176.870 -0.240 0.000 0.996 34 L CA -0.264 54.217 54.840 -0.599 0.000 0.822 34 L CB 1.518 42.810 42.059 -1.279 0.000 1.256 34 L HN 0.550 nan 8.230 nan 0.000 0.413 35 F N 6.229 125.972 119.950 -0.346 0.000 2.499 35 F HA 0.673 5.200 4.527 -0.000 0.000 0.333 35 F C -1.823 173.981 175.800 0.006 0.000 1.138 35 F CA -1.083 56.852 58.000 -0.108 0.000 0.945 35 F CB 1.199 40.185 39.000 -0.024 0.000 1.181 35 F HN 0.381 nan 8.300 nan 0.000 0.435 36 L N 7.265 128.301 121.223 -0.311 0.000 2.307 36 L HA 0.570 4.910 4.340 -0.000 0.000 0.284 36 L C -0.794 175.838 176.870 -0.396 0.000 1.023 36 L CA -0.538 54.070 54.840 -0.387 0.000 0.810 36 L CB 1.127 43.036 42.059 -0.251 0.000 1.231 36 L HN 0.700 nan 8.230 nan 0.000 0.423 37 W N 2.530 123.547 121.300 -0.472 0.000 2.961 37 W HA 0.774 5.434 4.660 -0.000 0.000 0.368 37 W C -1.444 175.033 176.519 -0.070 0.000 1.213 37 W CA -1.142 56.022 57.345 -0.302 0.000 1.173 37 W CB 1.596 30.739 29.460 -0.529 0.000 1.487 37 W HN 0.575 nan 8.180 nan 0.000 0.585 38 R N 0.900 121.546 120.500 0.243 0.000 2.663 38 R HA 0.470 4.810 4.340 -0.000 0.000 0.267 38 R C -1.151 175.350 176.300 0.334 0.000 1.038 38 R CA -0.895 55.298 56.100 0.155 0.000 0.886 38 R CB 1.329 31.518 30.300 -0.184 0.000 1.249 38 R HN 0.314 nan 8.270 nan 0.000 0.463 39 N N 0.292 119.152 118.700 0.267 0.000 2.492 39 N HA 0.433 5.173 4.740 -0.000 0.000 0.289 39 N C -0.250 175.231 175.510 -0.049 0.000 1.133 39 N CA -0.328 52.780 53.050 0.096 0.000 0.961 39 N CB 1.759 40.195 38.487 -0.084 0.000 1.186 39 N HN 0.740 nan 8.380 nan 0.000 0.493 40 A N 0.500 123.283 122.820 -0.062 0.000 2.262 40 A HA 0.157 4.477 4.320 -0.000 0.000 0.273 40 A C -0.296 177.174 177.584 -0.190 0.000 1.202 40 A CA -0.310 51.648 52.037 -0.132 0.000 0.811 40 A CB -0.104 18.876 19.000 -0.034 0.000 1.159 40 A HN 0.596 nan 8.150 nan 0.000 0.505 41 D N 0.842 121.136 120.400 -0.177 0.000 2.450 41 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 41 D C -0.342 175.756 176.300 -0.338 0.000 1.162 41 D CA 1.156 54.988 54.000 -0.281 0.000 0.879 41 D CB 0.390 41.151 40.800 -0.065 0.000 1.163 41 D HN 0.364 nan 8.370 nan 0.000 0.472 42 T N 0.635 114.860 114.554 -0.548 0.000 2.982 42 T HA 0.342 4.692 4.350 -0.000 0.000 0.321 42 T C -0.547 173.961 174.700 -0.321 0.000 1.229 42 T CA -0.700 61.161 62.100 -0.398 0.000 1.044 42 T CB 1.711 70.325 68.868 -0.424 0.000 1.184 42 T HN -0.007 nan 8.240 nan 0.000 0.477 43 V N 2.695 122.507 119.914 -0.170 0.000 2.370 43 V HA 0.497 4.617 4.120 -0.000 0.000 0.283 43 V C -0.138 175.879 176.094 -0.127 0.000 1.023 43 V CA -0.721 61.545 62.300 -0.056 0.000 0.857 43 V CB 1.528 33.350 31.823 -0.000 0.000 0.985 43 V HN 0.731 nan 8.190 nan 0.000 0.443 44 V N 6.727 126.595 119.914 -0.077 0.000 2.370 44 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 44 V C 0.047 176.101 176.094 -0.065 0.000 1.029 44 V CA -0.395 61.845 62.300 -0.100 0.000 0.870 44 V CB 1.352 33.130 31.823 -0.076 0.000 0.984 44 V HN 0.804 nan 8.190 nan 0.000 0.451 45 I N 1.927 122.426 120.570 -0.118 0.000 2.498 45 I HA 0.883 5.053 4.170 -0.000 0.000 0.301 45 I C 0.809 176.880 176.117 -0.077 0.000 0.984 45 I CA -0.522 60.715 61.300 -0.104 0.000 1.204 45 I CB 1.415 39.313 38.000 -0.171 0.000 1.362 45 I HN 0.600 nan 8.210 nan 0.000 0.471 46 G N 3.280 112.061 108.800 -0.031 0.000 2.594 46 G HA2 0.134 4.094 3.960 -0.000 0.000 0.243 46 G HA3 0.134 4.094 3.960 -0.000 0.000 0.243 46 G C 0.769 175.652 174.900 -0.027 0.000 1.229 46 G CA -0.627 44.472 45.100 -0.001 0.000 0.843 46 G HN 0.994 nan 8.290 nan 0.000 0.578 47 R N -0.250 120.258 120.500 0.014 0.000 2.377 47 R HA 0.138 4.478 4.340 -0.000 0.000 0.207 47 R C 1.224 177.520 176.300 -0.008 0.000 1.075 47 R CA 1.494 57.595 56.100 0.002 0.000 1.035 47 R CB 0.035 30.426 30.300 0.153 0.000 0.857 47 R HN 0.354 nan 8.270 nan 0.000 0.475 48 A N 0.305 123.143 122.820 0.030 0.000 2.610 48 A HA 0.227 4.547 4.320 -0.000 0.000 0.291 48 A C -0.270 177.432 177.584 0.198 0.000 1.116 48 A CA -0.561 51.512 52.037 0.061 0.000 0.963 48 A CB 0.338 19.365 19.000 0.045 0.000 1.220 48 A HN 0.331 nan 8.150 nan 0.000 0.530 49 Q N 0.133 120.028 119.800 0.158 0.000 2.205 49 Q HA 0.299 4.639 4.340 -0.000 0.000 0.249 49 Q C -0.803 175.305 176.000 0.180 0.000 0.948 49 Q CA -0.712 55.193 55.803 0.170 0.000 0.895 49 Q CB 1.193 29.945 28.738 0.023 0.000 1.249 49 Q HN 0.357 nan 8.270 nan 0.000 0.458 50 N N 1.805 120.491 118.700 -0.022 0.000 2.621 50 N HA 0.210 4.950 4.740 -0.000 0.000 0.237 50 N C -2.221 173.168 175.510 -0.202 0.000 0.997 50 N CA -2.241 50.630 53.050 -0.299 0.000 0.918 50 N CB 1.161 39.094 38.487 -0.923 0.000 1.122 50 N HN 0.214 nan 8.380 nan 0.000 0.510 51 P HA -0.102 nan 4.420 nan 0.000 0.216 51 P C 0.973 178.121 177.300 -0.253 0.000 1.150 51 P CA 1.197 64.088 63.100 -0.348 0.000 0.837 51 P CB 0.055 31.362 31.700 -0.655 0.000 0.786 52 W N 1.192 122.489 121.300 -0.004 0.000 2.321 52 W HA -0.128 4.532 4.660 -0.000 0.000 0.306 52 W C 2.649 179.165 176.519 -0.005 0.000 1.217 52 W CA 0.982 58.343 57.345 0.027 0.000 1.257 52 W CB -0.695 28.765 29.460 -0.000 0.000 1.145 52 W HN -0.048 nan 8.180 nan 0.000 0.509 53 K N 0.571 121.052 120.400 0.135 0.000 2.211 53 K HA -0.086 4.234 4.320 -0.000 0.000 0.201 53 K C 1.541 178.159 176.600 0.030 0.000 1.052 53 K CA 0.994 57.324 56.287 0.073 0.000 0.973 53 K CB -0.098 32.427 32.500 0.043 0.000 0.766 53 K HN 0.044 nan 8.250 nan 0.000 0.466 54 E N 0.376 120.569 120.200 -0.013 0.000 2.208 54 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 54 E C 0.555 177.156 176.600 0.001 0.000 0.988 54 E CA 0.409 56.800 56.400 -0.015 0.000 0.828 54 E CB 0.013 29.689 29.700 -0.039 0.000 0.763 54 E HN 0.254 nan 8.360 nan 0.000 0.478 55 C N 1.556 120.856 119.300 0.000 0.000 2.507 55 C HA 0.319 4.779 4.460 -0.000 0.000 0.319 55 C C 0.551 175.588 174.990 0.078 0.000 1.208 55 C CA -1.521 57.517 59.018 0.033 0.000 1.619 55 C CB 0.906 28.642 27.740 -0.008 0.000 2.230 55 C HN 0.184 nan 8.230 nan 0.000 0.492 56 N N 1.742 120.505 118.700 0.104 0.000 2.605 56 N HA -0.031 4.709 4.740 -0.000 0.000 0.282 56 N C 1.416 177.024 175.510 0.164 0.000 1.206 56 N CA 0.470 53.594 53.050 0.123 0.000 1.074 56 N CB 0.712 39.255 38.487 0.093 0.000 1.434 56 N HN 0.969 nan 8.380 nan 0.000 0.506 57 T N 0.796 115.441 114.554 0.152 0.000 2.915 57 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 57 T C 1.772 176.574 174.700 0.169 0.000 1.071 57 T CA 0.794 62.985 62.100 0.152 0.000 1.132 57 T CB 0.072 69.007 68.868 0.111 0.000 0.878 57 T HN 0.329 nan 8.240 nan 0.000 0.479 58 R N 1.294 121.892 120.500 0.163 0.000 2.062 58 R HA 0.272 4.612 4.340 -0.000 0.000 0.229 58 R C 1.567 177.956 176.300 0.148 0.000 1.128 58 R CA 0.728 56.912 56.100 0.140 0.000 0.960 58 R CB -0.666 29.704 30.300 0.118 0.000 0.855 58 R HN 0.436 nan 8.270 nan 0.000 0.432 62 E N 1.124 121.395 120.200 0.120 0.000 2.204 62 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 62 E C 0.452 177.124 176.600 0.120 0.000 0.990 62 E CA 1.266 57.732 56.400 0.109 0.000 0.821 62 E CB 0.096 29.860 29.700 0.106 0.000 0.750 62 E HN 0.141 nan 8.360 nan 0.000 0.477 63 D N -0.085 120.406 120.400 0.151 0.000 2.363 63 D HA 0.035 4.675 4.640 -0.000 0.000 0.214 63 D C -0.735 175.622 176.300 0.095 0.000 1.093 63 D CA -0.012 54.074 54.000 0.143 0.000 0.837 63 D CB -0.082 40.860 40.800 0.236 0.000 0.948 63 D HN 0.141 nan 8.370 nan 0.000 0.507 64 N N -0.215 118.538 118.700 0.089 0.000 2.686 64 N HA -0.173 4.567 4.740 -0.000 0.000 0.261 64 N C -0.862 174.677 175.510 0.049 0.000 1.001 64 N CA 0.060 53.159 53.050 0.082 0.000 0.764 64 N CB -1.327 37.211 38.487 0.085 0.000 0.898 64 N HN -0.015 nan 8.380 nan 0.000 0.544 65 V N 0.702 120.614 119.914 -0.003 0.000 2.364 65 V HA 0.225 4.345 4.120 -0.000 0.000 0.272 65 V C 1.076 177.156 176.094 -0.023 0.000 1.036 65 V CA -0.550 61.697 62.300 -0.090 0.000 0.880 65 V CB 0.994 32.598 31.823 -0.365 0.000 0.991 65 V HN 0.348 nan 8.190 nan 0.000 0.460 66 R N 3.496 123.985 120.500 -0.020 0.000 2.738 66 R HA 0.471 4.811 4.340 -0.000 0.000 0.268 66 R C -0.493 175.789 176.300 -0.030 0.000 1.062 66 R CA -0.396 55.739 56.100 0.058 0.000 1.158 66 R CB 0.400 30.610 30.300 -0.150 0.000 1.046 66 R HN 0.548 nan 8.270 nan 0.000 0.493 67 L N 0.460 121.735 121.223 0.087 0.000 2.342 67 L HA 0.748 5.088 4.340 -0.000 0.000 0.271 67 L C -1.315 175.528 176.870 -0.045 0.000 1.008 67 L CA -0.285 54.473 54.840 -0.137 0.000 0.818 67 L CB 2.066 43.848 42.059 -0.462 0.000 1.296 67 L HN 0.788 nan 8.230 nan 0.000 0.427 68 A N 4.216 126.928 122.820 -0.180 0.000 2.488 68 A HA 0.682 5.002 4.320 -0.000 0.000 0.298 68 A C -1.197 176.291 177.584 -0.161 0.000 1.044 68 A CA -0.708 51.284 52.037 -0.075 0.000 0.693 68 A CB 1.290 20.154 19.000 -0.226 0.000 1.272 68 A HN 0.726 nan 8.150 nan 0.000 0.402 69 R N 1.437 121.825 120.500 -0.187 0.000 2.312 69 R HA 0.497 4.837 4.340 -0.000 0.000 0.311 69 R C 0.329 176.680 176.300 0.084 0.000 1.004 69 R CA -0.497 55.428 56.100 -0.293 0.000 0.902 69 R CB 0.785 30.496 30.300 -0.982 0.000 1.073 69 R HN 0.922 nan 8.270 nan 0.000 0.457 70 R N 1.734 122.287 120.500 0.088 0.000 2.691 70 R HA 0.353 4.693 4.340 -0.000 0.000 0.259 70 R C -0.057 176.394 176.300 0.250 0.000 1.048 70 R CA -0.749 55.453 56.100 0.171 0.000 1.086 70 R CB 1.310 31.650 30.300 0.066 0.000 1.166 70 R HN 0.448 nan 8.270 nan 0.000 0.526 71 S N 0.399 116.193 115.700 0.156 0.000 2.406 71 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 71 S C 0.834 175.469 174.600 0.059 0.000 1.020 71 S CA 0.973 59.244 58.200 0.118 0.000 0.965 71 S CB -0.192 62.962 63.200 -0.077 0.000 0.798 71 S HN 0.778 nan 8.310 nan 0.000 0.488 72 S N 0.993 116.692 115.700 -0.002 0.000 2.624 72 S HA 0.588 5.058 4.470 -0.000 0.000 0.263 72 S C 0.844 175.468 174.600 0.040 0.000 1.287 72 S CA -0.418 57.777 58.200 -0.008 0.000 0.990 72 S CB 0.616 63.800 63.200 -0.027 0.000 0.950 72 S HN 0.305 nan 8.310 nan 0.000 0.561 73 G N -0.377 108.450 108.800 0.045 0.000 2.485 73 G HA2 0.582 4.542 3.960 -0.000 0.000 0.260 73 G HA3 0.582 4.542 3.960 -0.000 0.000 0.260 73 G C 0.643 175.582 174.900 0.065 0.000 1.459 73 G CA -0.347 44.790 45.100 0.061 0.000 1.060 73 G HN 1.975 nan 8.290 nan 0.000 0.546 74 G N -2.637 106.209 108.800 0.077 0.000 2.728 74 G HA2 0.439 4.399 3.960 -0.000 0.000 0.294 74 G HA3 0.439 4.399 3.960 -0.000 0.000 0.294 74 G C 0.294 175.230 174.900 0.061 0.000 1.342 74 G CA 0.023 45.169 45.100 0.075 0.000 0.866 74 G HN 1.732 nan 8.290 nan 0.000 0.534 75 G N -0.968 107.864 108.800 0.054 0.000 2.857 75 G HA2 0.932 4.892 3.960 -0.000 0.000 0.217 75 G HA3 0.932 4.892 3.960 -0.000 0.000 0.217 75 G C 0.398 175.317 174.900 0.031 0.000 1.357 75 G CA 0.524 45.648 45.100 0.040 0.000 1.033 75 G HN 2.153 nan 8.290 nan 0.000 0.571 76 A N -1.512 121.324 122.820 0.028 0.000 2.302 76 A HA 0.691 5.011 4.320 -0.000 0.000 0.285 76 A C -0.624 176.998 177.584 0.064 0.000 1.105 76 A CA -0.282 51.775 52.037 0.033 0.000 0.816 76 A CB 1.150 20.167 19.000 0.029 0.000 1.067 76 A HN 0.937 nan 8.150 nan 0.000 0.489 77 V N 1.025 120.991 119.914 0.088 0.000 2.925 77 V HA 0.540 4.660 4.120 -0.000 0.000 0.311 77 V C -1.217 174.998 176.094 0.201 0.000 1.104 77 V CA -0.390 61.983 62.300 0.122 0.000 0.954 77 V CB 1.956 33.844 31.823 0.108 0.000 1.022 77 V HN 0.855 nan 8.190 nan 0.000 0.427 78 F N 2.982 122.950 119.950 0.030 0.000 2.522 78 F HA 0.683 5.210 4.527 -0.000 0.000 0.324 78 F C -0.200 175.609 175.800 0.014 0.000 1.077 78 F CA -0.179 57.844 58.000 0.038 0.000 0.944 78 F CB 1.470 40.481 39.000 0.018 0.000 1.175 78 F HN 0.501 nan 8.300 nan 0.000 0.468 79 H N 2.727 121.254 119.070 -0.905 0.000 2.717 79 H HA 0.362 4.918 4.556 -0.000 0.000 0.366 79 H C -1.494 173.373 175.328 -0.769 0.000 1.132 79 H CA -0.749 54.963 56.048 -0.561 0.000 1.180 79 H CB 2.210 31.773 29.762 -0.331 0.000 1.678 79 H HN 0.673 nan 8.280 nan 0.000 0.537 80 D N 0.787 121.016 120.400 -0.284 0.000 2.559 80 D HA 0.160 4.800 4.640 -0.000 0.000 0.250 80 D C 1.000 177.199 176.300 -0.169 0.000 1.135 80 D CA -0.869 53.014 54.000 -0.194 0.000 0.955 80 D CB 1.172 41.957 40.800 -0.024 0.000 1.442 80 D HN 0.277 nan 8.370 nan 0.000 0.471 81 L N -0.007 121.087 121.223 -0.215 0.000 2.369 81 L HA -0.087 4.253 4.340 -0.000 0.000 0.220 81 L C 1.869 178.607 176.870 -0.219 0.000 1.119 81 L CA 1.680 56.345 54.840 -0.292 0.000 0.780 81 L CB -0.620 41.207 42.059 -0.387 0.000 0.906 81 L HN 0.766 nan 8.230 nan 0.000 0.442 82 G N -1.151 107.566 108.800 -0.139 0.000 3.141 82 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 82 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 82 G C 0.111 174.950 174.900 -0.101 0.000 1.170 82 G CA -0.326 44.715 45.100 -0.098 0.000 0.769 82 G HN 0.317 nan 8.290 nan 0.000 0.546 83 N N 0.446 119.058 118.700 -0.145 0.000 2.419 83 N HA 0.447 5.187 4.740 -0.000 0.000 0.277 83 N C -0.728 174.667 175.510 -0.191 0.000 1.006 83 N CA -0.036 52.906 53.050 -0.180 0.000 0.923 83 N CB 1.671 39.987 38.487 -0.285 0.000 1.140 83 N HN -0.185 nan 8.380 nan 0.000 0.488 84 T N 1.873 116.345 114.554 -0.136 0.000 2.767 84 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 84 T C -0.578 173.992 174.700 -0.217 0.000 0.973 84 T CA -0.210 61.840 62.100 -0.083 0.000 0.996 84 T CB 0.214 69.138 68.868 0.094 0.000 0.927 84 T HN 0.442 nan 8.240 nan 0.000 0.456 85 C N 4.442 123.448 119.300 -0.490 0.000 2.507 85 C HA 0.862 5.322 4.460 -0.000 0.000 0.319 85 C C -0.547 173.915 174.990 -0.879 0.000 1.208 85 C CA -1.149 57.323 59.018 -0.910 0.000 1.619 85 C CB -0.202 26.295 27.740 -2.072 0.000 2.230 85 C HN 0.943 nan 8.230 nan 0.000 0.492 86 F N 0.291 119.835 119.950 -0.677 0.000 2.599 86 F HA 0.846 5.373 4.527 -0.000 0.000 0.311 86 F C -0.441 175.204 175.800 -0.258 0.000 1.076 86 F CA -0.556 57.147 58.000 -0.495 0.000 0.937 86 F CB 1.629 40.361 39.000 -0.447 0.000 1.282 86 F HN 0.371 nan 8.300 nan 0.000 0.460 87 T N 2.911 117.277 114.554 -0.314 0.000 3.109 87 T HA 0.539 4.889 4.350 -0.000 0.000 0.311 87 T C -1.291 173.155 174.700 -0.422 0.000 1.011 87 T CA -0.396 61.540 62.100 -0.274 0.000 1.026 87 T CB 0.836 69.782 68.868 0.131 0.000 1.047 87 T HN 0.525 nan 8.240 nan 0.000 0.448 91 G N 0.835 109.646 108.800 0.018 0.000 2.569 91 G HA2 0.488 4.448 3.960 -0.000 0.000 0.249 91 G HA3 0.488 4.448 3.960 -0.000 0.000 0.249 91 G C -0.166 174.819 174.900 0.142 0.000 1.216 91 G CA -0.357 44.782 45.100 0.066 0.000 0.845 91 G HN 0.630 nan 8.290 nan 0.000 0.568 92 K N 0.841 121.314 120.400 0.121 0.000 2.107 92 K HA 0.219 4.539 4.320 -0.000 0.000 0.251 92 K C -1.081 175.578 176.600 0.098 0.000 1.012 92 K CA -1.536 54.831 56.287 0.132 0.000 0.920 92 K CB 1.352 33.917 32.500 0.108 0.000 1.033 92 K HN 0.312 nan 8.250 nan 0.000 0.478 93 P HA -0.058 nan 4.420 nan 0.000 0.237 93 P C 0.879 178.257 177.300 0.131 0.000 1.178 93 P CA 0.687 63.847 63.100 0.100 0.000 0.766 93 P CB 0.388 32.132 31.700 0.072 0.000 0.876 94 E N -0.523 119.772 120.200 0.157 0.000 2.110 94 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 94 E C -0.174 176.574 176.600 0.247 0.000 0.988 94 E CA 0.643 57.157 56.400 0.189 0.000 0.804 94 E CB -0.076 29.747 29.700 0.206 0.000 0.745 94 E HN 0.289 nan 8.360 nan 0.000 0.458 95 Y N 1.258 121.647 120.300 0.149 0.000 2.377 95 Y HA 0.285 4.835 4.550 -0.000 0.000 0.339 95 Y C -0.702 175.306 175.900 0.179 0.000 1.011 95 Y CA -0.792 57.416 58.100 0.180 0.000 1.093 95 Y CB 1.101 39.695 38.460 0.223 0.000 1.201 95 Y HN -0.002 nan 8.280 nan 0.000 0.455 96 D N 2.504 122.647 120.400 -0.428 0.000 2.801 96 D HA 0.242 4.882 4.640 -0.000 0.000 0.277 96 D C 0.252 176.077 176.300 -0.791 0.000 1.125 96 D CA -0.731 53.054 54.000 -0.359 0.000 1.102 96 D CB 0.860 41.544 40.800 -0.193 0.000 1.400 96 D HN 0.396 nan 8.370 nan 0.000 0.601 97 K N -1.007 118.918 120.400 -0.792 0.000 2.155 97 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 97 K C 1.837 178.065 176.600 -0.620 0.000 1.052 97 K CA 1.560 57.227 56.287 -1.034 0.000 0.948 97 K CB -0.325 31.334 32.500 -1.401 0.000 0.728 97 K HN 0.590 nan 8.250 nan 0.000 0.448 98 T N -0.260 114.013 114.554 -0.469 0.000 2.759 98 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 98 T C 1.864 176.362 174.700 -0.336 0.000 1.042 98 T CA 1.169 63.074 62.100 -0.325 0.000 1.140 98 T CB -0.264 68.461 68.868 -0.239 0.000 0.864 98 T HN 0.074 nan 8.240 nan 0.000 0.455 99 I N 2.838 123.151 120.570 -0.429 0.000 2.127 99 I HA -0.160 4.010 4.170 -0.000 0.000 0.241 99 I C 3.037 178.893 176.117 -0.435 0.000 1.075 99 I CA 1.955 62.983 61.300 -0.453 0.000 1.334 99 I CB -0.492 37.248 38.000 -0.434 0.000 1.040 99 I HN 0.559 nan 8.210 nan 0.000 0.405 100 S N -1.587 113.886 115.700 -0.378 0.000 2.425 100 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 100 S C 2.008 176.474 174.600 -0.224 0.000 1.024 100 S CA 1.087 59.006 58.200 -0.467 0.000 0.951 100 S CB -1.000 61.885 63.200 -0.525 0.000 0.796 100 S HN 0.404 nan 8.310 nan 0.000 0.498 101 T N 3.317 117.820 114.554 -0.084 0.000 2.653 101 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 101 T C 2.269 176.920 174.700 -0.083 0.000 1.035 101 T CA 2.220 64.316 62.100 -0.007 0.000 1.154 101 T CB -0.815 68.010 68.868 -0.071 0.000 0.862 101 T HN 0.791 nan 8.240 nan 0.000 0.441 102 S N 0.772 116.383 115.700 -0.148 0.000 2.446 102 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 102 S C 2.048 176.569 174.600 -0.132 0.000 1.016 102 S CA 0.132 58.253 58.200 -0.131 0.000 0.943 102 S CB -0.656 62.461 63.200 -0.137 0.000 0.786 102 S HN 0.406 nan 8.310 nan 0.000 0.508 103 I N 1.580 122.038 120.570 -0.187 0.000 2.248 103 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 103 I C 2.373 178.448 176.117 -0.069 0.000 1.107 103 I CA 1.108 62.340 61.300 -0.114 0.000 1.373 103 I CB -0.261 37.663 38.000 -0.127 0.000 1.055 103 I HN 0.212 nan 8.210 nan 0.000 0.418 104 V N 0.267 120.116 119.914 -0.108 0.000 2.273 104 V HA -0.225 3.895 4.120 -0.000 0.000 0.242 104 V C 2.294 178.325 176.094 -0.105 0.000 1.035 104 V CA 1.423 63.640 62.300 -0.138 0.000 1.013 104 V CB -0.477 31.211 31.823 -0.226 0.000 0.652 104 V HN 0.305 nan 8.190 nan 0.000 0.452 105 L N 0.529 121.704 121.223 -0.081 0.000 2.034 105 L HA -0.299 4.041 4.340 -0.000 0.000 0.217 105 L C 2.519 179.358 176.870 -0.053 0.000 1.077 105 L CA 1.971 56.775 54.840 -0.061 0.000 0.769 105 L CB -0.882 41.145 42.059 -0.053 0.000 0.890 105 L HN 0.412 nan 8.230 nan 0.000 0.435 106 N N 0.042 118.712 118.700 -0.050 0.000 2.043 106 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 106 N C 1.842 177.332 175.510 -0.032 0.000 1.037 106 N CA 1.707 54.738 53.050 -0.033 0.000 0.851 106 N CB -0.523 37.952 38.487 -0.019 0.000 1.027 106 N HN 0.370 nan 8.380 nan 0.000 0.422 107 A N 0.682 123.477 122.820 -0.041 0.000 1.978 107 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 107 A C 2.354 179.904 177.584 -0.057 0.000 1.170 107 A CA 1.068 53.077 52.037 -0.048 0.000 0.636 107 A CB -0.653 18.305 19.000 -0.069 0.000 0.810 107 A HN 0.236 nan 8.150 nan 0.000 0.448 108 L N -0.560 120.626 121.223 -0.062 0.000 2.049 108 L HA -0.146 4.194 4.340 -0.000 0.000 0.203 108 L C 2.299 179.146 176.870 -0.040 0.000 1.074 108 L CA 1.061 55.867 54.840 -0.056 0.000 0.749 108 L CB -0.675 41.349 42.059 -0.059 0.000 0.907 108 L HN 0.334 nan 8.230 nan 0.000 0.439 109 N N 0.599 119.279 118.700 -0.034 0.000 2.144 109 N HA -0.277 4.463 4.740 -0.000 0.000 0.195 109 N C 1.752 177.249 175.510 -0.021 0.000 1.006 109 N CA 1.843 54.878 53.050 -0.025 0.000 0.880 109 N CB -0.349 38.125 38.487 -0.022 0.000 1.018 109 N HN 0.403 nan 8.380 nan 0.000 0.443 110 A N 0.478 123.285 122.820 -0.022 0.000 2.015 110 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 110 A C 2.180 179.753 177.584 -0.020 0.000 1.163 110 A CA 0.871 52.898 52.037 -0.017 0.000 0.646 110 A CB -0.308 18.683 19.000 -0.015 0.000 0.806 110 A HN 0.232 nan 8.150 nan 0.000 0.448 111 L N -1.773 119.434 121.223 -0.027 0.000 2.640 111 L HA 0.313 4.653 4.340 -0.000 0.000 0.230 111 L C 1.384 178.240 176.870 -0.023 0.000 1.123 111 L CA 0.641 55.465 54.840 -0.027 0.000 0.900 111 L CB 0.361 42.398 42.059 -0.037 0.000 1.146 111 L HN 0.510 nan 8.230 nan 0.000 0.484 112 G N 0.311 109.098 108.800 -0.022 0.000 2.140 112 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.211 112 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.211 112 G C -0.185 174.703 174.900 -0.020 0.000 1.013 112 G CA -0.158 44.931 45.100 -0.018 0.000 0.705 112 G HN 0.045 nan 8.290 nan 0.000 0.508 113 V N 0.961 120.860 119.914 -0.024 0.000 2.459 113 V HA 0.688 4.808 4.120 -0.000 0.000 0.295 113 V C 0.370 176.450 176.094 -0.024 0.000 1.029 113 V CA -0.241 62.045 62.300 -0.024 0.000 0.874 113 V CB 1.985 33.791 31.823 -0.029 0.000 0.985 113 V HN 0.445 nan 8.190 nan 0.000 0.438 114 S N 4.119 119.807 115.700 -0.020 0.000 2.461 114 S HA 0.801 5.271 4.470 -0.000 0.000 0.322 114 S C 0.025 174.614 174.600 -0.019 0.000 1.063 114 S CA -0.443 57.745 58.200 -0.020 0.000 1.120 114 S CB 1.363 64.553 63.200 -0.016 0.000 0.968 114 S HN 1.011 nan 8.310 nan 0.000 0.467 115 A N 3.416 126.223 122.820 -0.021 0.000 2.350 115 A HA 0.917 5.237 4.320 -0.000 0.000 0.318 115 A C -0.161 177.412 177.584 -0.017 0.000 1.132 115 A CA -0.930 51.096 52.037 -0.018 0.000 0.811 115 A CB 1.214 20.203 19.000 -0.019 0.000 1.313 115 A HN 0.781 nan 8.150 nan 0.000 0.454 116 E N -0.737 119.455 120.200 -0.012 0.000 2.437 116 E HA 0.700 5.050 4.350 -0.000 0.000 0.253 116 E C -0.361 176.236 176.600 -0.005 0.000 0.905 116 E CA -0.542 55.850 56.400 -0.013 0.000 0.871 116 E CB 1.467 31.159 29.700 -0.013 0.000 1.649 116 E HN 0.708 nan 8.360 nan 0.000 0.422 117 A N 0.721 123.538 122.820 -0.006 0.000 2.827 117 A HA 0.280 4.600 4.320 -0.000 0.000 0.300 117 A C 0.332 177.920 177.584 0.007 0.000 1.237 117 A CA -0.272 51.766 52.037 0.001 0.000 0.964 117 A CB -0.804 18.188 19.000 -0.014 0.000 1.143 117 A HN 0.511 nan 8.150 nan 0.000 0.554 118 S N 0.233 115.938 115.700 0.010 0.000 2.573 118 S HA 0.415 4.885 4.470 -0.000 0.000 0.297 118 S C 0.887 175.500 174.600 0.021 0.000 1.280 118 S CA 0.417 58.624 58.200 0.012 0.000 1.061 118 S CB 0.003 63.210 63.200 0.012 0.000 0.812 118 S HN 2.253 nan 8.310 nan 0.000 0.500 119 G N 3.677 112.489 108.800 0.020 0.000 2.877 119 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.279 119 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.279 119 G C 0.394 175.312 174.900 0.030 0.000 1.431 119 G CA 0.031 45.148 45.100 0.028 0.000 0.883 119 G HN 0.967 nan 8.290 nan 0.000 0.547 120 R N 0.023 120.547 120.500 0.040 0.000 2.152 120 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 120 R C 1.617 177.951 176.300 0.055 0.000 1.117 120 R CA 1.803 57.928 56.100 0.041 0.000 0.981 120 R CB -0.137 30.198 30.300 0.060 0.000 0.870 120 R HN 0.433 nan 8.270 nan 0.000 0.451 121 N N -0.553 118.194 118.700 0.079 0.000 2.297 121 N HA 0.057 4.797 4.740 -0.000 0.000 0.208 121 N C -0.636 174.952 175.510 0.131 0.000 1.176 121 N CA 0.246 53.370 53.050 0.123 0.000 0.882 121 N CB 0.679 39.244 38.487 0.131 0.000 1.134 121 N HN 0.057 nan 8.380 nan 0.000 0.489 122 D N 0.423 120.876 120.400 0.089 0.000 2.326 122 D HA 0.468 5.108 4.640 -0.000 0.000 0.251 122 D C -0.102 176.238 176.300 0.066 0.000 1.023 122 D CA -0.226 53.822 54.000 0.079 0.000 0.966 122 D CB 1.908 42.740 40.800 0.054 0.000 1.156 122 D HN -0.118 nan 8.370 nan 0.000 0.494 123 L N 0.672 121.929 121.223 0.058 0.000 2.362 123 L HA 0.642 4.982 4.340 -0.000 0.000 0.275 123 L C -0.459 176.421 176.870 0.018 0.000 0.998 123 L CA -1.096 53.764 54.840 0.034 0.000 0.820 123 L CB 1.781 43.860 42.059 0.032 0.000 1.270 123 L HN 0.167 nan 8.230 nan 0.000 0.415 124 V N 0.707 120.626 119.914 0.008 0.000 2.962 124 V HA 0.654 4.774 4.120 -0.000 0.000 0.313 124 V C -0.574 175.518 176.094 -0.004 0.000 1.099 124 V CA -0.798 61.503 62.300 0.003 0.000 0.971 124 V CB 2.233 34.059 31.823 0.004 0.000 1.028 124 V HN 0.369 nan 8.190 nan 0.000 0.430 125 V N 3.344 123.255 119.914 -0.006 0.000 2.370 125 V HA 0.401 4.521 4.120 -0.000 0.000 0.279 125 V C 0.345 176.435 176.094 -0.006 0.000 1.029 125 V CA -0.675 61.620 62.300 -0.008 0.000 0.870 125 V CB 1.402 33.219 31.823 -0.010 0.000 0.984 125 V HN 0.881 nan 8.190 nan 0.000 0.451 126 K N 4.474 124.870 120.400 -0.006 0.000 2.338 126 K HA 0.324 4.644 4.320 -0.000 0.000 0.290 126 K C 0.364 176.960 176.600 -0.006 0.000 1.069 126 K CA -0.032 56.252 56.287 -0.005 0.000 0.941 126 K CB 0.730 33.227 32.500 -0.006 0.000 1.023 126 K HN 0.879 nan 8.250 nan 0.000 0.477 127 T N -2.274 112.277 114.554 -0.005 0.000 2.883 127 T HA 0.211 4.561 4.350 -0.000 0.000 0.284 127 T C 1.478 176.175 174.700 -0.005 0.000 1.041 127 T CA -0.951 61.146 62.100 -0.006 0.000 1.007 127 T CB 1.047 69.911 68.868 -0.006 0.000 1.220 127 T HN 0.076 nan 8.240 nan 0.000 0.552 128 V N 1.100 121.011 119.914 -0.005 0.000 2.282 128 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 128 V C 2.343 178.435 176.094 -0.004 0.000 1.057 128 V CA 2.265 64.562 62.300 -0.005 0.000 1.032 128 V CB -0.985 30.835 31.823 -0.005 0.000 0.645 128 V HN 0.953 nan 8.190 nan 0.000 0.447 129 E N -0.535 119.662 120.200 -0.004 0.000 2.511 129 E HA 0.352 4.702 4.350 -0.000 0.000 0.196 129 E C 0.886 177.484 176.600 -0.004 0.000 1.066 129 E CA 0.643 57.041 56.400 -0.004 0.000 0.871 129 E CB 0.193 29.890 29.700 -0.005 0.000 0.863 129 E HN 0.668 nan 8.360 nan 0.000 0.520 130 G N 0.408 109.205 108.800 -0.004 0.000 2.317 130 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.196 130 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.196 130 G C -1.600 173.299 174.900 -0.003 0.000 1.255 130 G CA -0.715 44.383 45.100 -0.003 0.000 1.243 130 G HN 0.070 nan 8.290 nan 0.000 0.535 131 D N 1.517 121.916 120.400 -0.002 0.000 2.381 131 D HA 0.628 5.268 4.640 -0.000 0.000 0.235 131 D C 0.203 176.503 176.300 -0.000 0.000 1.068 131 D CA -0.160 53.840 54.000 -0.001 0.000 0.832 131 D CB 1.186 41.986 40.800 0.001 0.000 1.101 131 D HN 0.477 nan 8.370 nan 0.000 0.515 132 R N 1.882 122.381 120.500 -0.002 0.000 2.338 132 R HA 0.288 4.628 4.340 -0.000 0.000 0.317 132 R C 0.087 176.387 176.300 -0.000 0.000 0.968 132 R CA -0.888 55.211 56.100 -0.002 0.000 0.849 132 R CB 2.033 32.330 30.300 -0.005 0.000 1.128 132 R HN 0.202 nan 8.270 nan 0.000 0.448 133 K N 2.227 122.628 120.400 0.003 0.000 2.383 133 K HA 0.060 4.380 4.320 -0.000 0.000 0.286 133 K C 0.800 177.402 176.600 0.002 0.000 1.051 133 K CA -0.155 56.136 56.287 0.007 0.000 0.974 133 K CB 0.803 33.310 32.500 0.011 0.000 0.968 133 K HN 0.501 nan 8.250 nan 0.000 0.475 134 V N 0.197 120.113 119.914 0.003 0.000 3.643 134 V HA 0.231 4.351 4.120 -0.000 0.000 0.280 134 V C 0.154 176.249 176.094 0.002 0.000 1.351 134 V CA 0.006 62.304 62.300 -0.004 0.000 1.073 134 V CB 0.442 32.258 31.823 -0.013 0.000 0.863 134 V HN 0.570 nan 8.190 nan 0.000 0.436 135 S N 0.018 115.731 115.700 0.022 0.000 2.626 135 S HA 0.709 5.179 4.470 -0.000 0.000 0.275 135 S C -0.287 174.359 174.600 0.075 0.000 1.175 135 S CA 0.180 58.413 58.200 0.055 0.000 0.982 135 S CB 1.065 64.307 63.200 0.069 0.000 1.093 135 S HN 0.880 nan 8.310 nan 0.000 0.472 136 G N 2.217 111.060 108.800 0.072 0.000 2.388 136 G HA2 0.667 4.627 3.960 -0.000 0.000 0.330 136 G HA3 0.667 4.627 3.960 -0.000 0.000 0.330 136 G C -0.406 174.561 174.900 0.112 0.000 1.142 136 G CA -0.360 44.787 45.100 0.079 0.000 0.908 136 G HN 1.144 nan 8.290 nan 0.000 0.473 137 S N -0.168 115.633 115.700 0.168 0.000 2.632 137 S HA 0.881 5.351 4.470 -0.000 0.000 0.289 137 S C -0.444 174.318 174.600 0.271 0.000 1.115 137 S CA -0.429 57.899 58.200 0.213 0.000 0.889 137 S CB 2.131 65.579 63.200 0.414 0.000 1.116 137 S HN 1.688 nan 8.310 nan 0.000 0.486 138 A N 0.933 123.984 122.820 0.385 0.000 2.386 138 A HA 0.795 5.115 4.320 -0.000 0.000 0.311 138 A C -1.638 176.328 177.584 0.636 0.000 1.068 138 A CA -0.670 51.644 52.037 0.462 0.000 0.743 138 A CB 1.088 20.340 19.000 0.419 0.000 1.258 138 A HN 1.056 nan 8.150 nan 0.000 0.429 139 Y N 1.166 121.667 120.300 0.334 0.000 2.536 139 Y HA 0.802 5.352 4.550 -0.000 0.000 0.347 139 Y C -0.079 175.969 175.900 0.246 0.000 1.000 139 Y CA -0.696 57.581 58.100 0.296 0.000 1.051 139 Y CB 1.646 40.178 38.460 0.120 0.000 1.259 139 Y HN 0.865 nan 8.280 nan 0.000 0.468 140 R N 2.810 123.083 120.500 -0.379 0.000 2.692 140 R HA 0.381 4.721 4.340 -0.000 0.000 0.269 140 R C -1.867 174.231 176.300 -0.337 0.000 1.030 140 R CA -0.800 55.165 56.100 -0.225 0.000 0.882 140 R CB 2.350 32.635 30.300 -0.025 0.000 1.250 140 R HN 0.862 nan 8.270 nan 0.000 0.465 141 E N 0.550 120.698 120.200 -0.088 0.000 2.314 141 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 141 E C -0.905 175.715 176.600 0.034 0.000 0.884 141 E CA -0.590 55.799 56.400 -0.018 0.000 0.753 141 E CB 2.635 32.377 29.700 0.069 0.000 1.213 141 E HN 0.672 nan 8.360 nan 0.000 0.432 142 T N -1.080 113.482 114.554 0.013 0.000 2.844 142 T HA 0.357 4.707 4.350 -0.000 0.000 0.274 142 T C 0.928 175.635 174.700 0.011 0.000 0.991 142 T CA -0.670 61.424 62.100 -0.010 0.000 0.983 142 T CB 1.322 70.137 68.868 -0.089 0.000 1.310 142 T HN 0.327 nan 8.240 nan 0.000 0.596 143 K N 0.213 120.611 120.400 -0.003 0.000 2.217 143 K HA -0.061 4.259 4.320 -0.000 0.000 0.202 143 K C 1.549 178.157 176.600 0.014 0.000 1.051 143 K CA 1.528 57.822 56.287 0.011 0.000 0.952 143 K CB -0.006 32.494 32.500 -0.000 0.000 0.736 143 K HN 0.769 nan 8.250 nan 0.000 0.453 144 D N -0.116 120.279 120.400 -0.009 0.000 2.417 144 D HA -0.044 4.596 4.640 -0.000 0.000 0.207 144 D C 0.235 176.539 176.300 0.005 0.000 1.075 144 D CA -0.101 53.896 54.000 -0.005 0.000 0.851 144 D CB 0.479 41.261 40.800 -0.029 0.000 0.976 144 D HN 0.141 nan 8.370 nan 0.000 0.505 145 R N -0.808 119.694 120.500 0.002 0.000 2.764 145 R HA 0.657 4.997 4.340 -0.000 0.000 0.270 145 R C -0.683 175.669 176.300 0.087 0.000 1.014 145 R CA -0.980 55.140 56.100 0.033 0.000 0.904 145 R CB 1.335 31.619 30.300 -0.027 0.000 1.236 145 R HN -0.090 nan 8.270 nan 0.000 0.466 146 G N 0.556 109.460 108.800 0.175 0.000 2.473 146 G HA2 0.665 4.625 3.960 -0.000 0.000 0.321 146 G HA3 0.665 4.625 3.960 -0.000 0.000 0.321 146 G C -1.970 173.033 174.900 0.172 0.000 1.200 146 G CA -0.727 44.488 45.100 0.191 0.000 0.963 146 G HN 0.453 nan 8.290 nan 0.000 0.483 147 F N 1.017 120.878 119.950 -0.148 0.000 2.573 147 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 147 F C -0.955 174.918 175.800 0.122 0.000 1.148 147 F CA -0.832 57.184 58.000 0.028 0.000 0.940 147 F CB 1.982 41.031 39.000 0.081 0.000 1.214 147 F HN 0.588 nan 8.300 nan 0.000 0.448 148 H N 6.039 125.029 119.070 -0.134 0.000 2.782 148 H HA 0.453 5.009 4.556 -0.000 0.000 0.347 148 H C -1.528 173.805 175.328 0.008 0.000 1.038 148 H CA -0.586 55.621 56.048 0.264 0.000 1.255 148 H CB 1.468 31.630 29.762 0.667 0.000 1.623 148 H HN 0.964 nan 8.280 nan 0.000 0.525 149 H N 2.129 121.126 119.070 -0.121 0.000 2.985 149 H HA 0.757 5.313 4.556 -0.000 0.000 0.360 149 H C -0.890 174.018 175.328 -0.701 0.000 1.221 149 H CA -1.027 54.692 56.048 -0.548 0.000 1.121 149 H CB 2.690 32.339 29.762 -0.188 0.000 1.854 149 H HN 0.782 nan 8.280 nan 0.000 0.551 150 G N 0.055 108.108 108.800 -1.245 0.000 2.428 150 G HA2 0.429 4.389 3.960 -0.000 0.000 0.305 150 G HA3 0.429 4.389 3.960 -0.000 0.000 0.305 150 G C -1.550 173.028 174.900 -0.536 0.000 1.260 150 G CA -0.570 44.087 45.100 -0.739 0.000 0.853 150 G HN 0.722 nan 8.290 nan 0.000 0.480 151 T N 0.358 114.862 114.554 -0.083 0.000 2.887 151 T HA 0.681 5.031 4.350 -0.000 0.000 0.288 151 T C -0.562 174.201 174.700 0.105 0.000 1.021 151 T CA -0.417 61.660 62.100 -0.037 0.000 1.000 151 T CB 1.812 70.570 68.868 -0.184 0.000 1.034 151 T HN 0.428 nan 8.240 nan 0.000 0.467 152 L N 2.664 123.900 121.223 0.020 0.000 2.298 152 L HA 0.447 4.787 4.340 -0.000 0.000 0.284 152 L C -0.413 176.426 176.870 -0.051 0.000 1.013 152 L CA -0.901 53.926 54.840 -0.020 0.000 0.824 152 L CB 1.082 43.107 42.059 -0.056 0.000 1.221 152 L HN 0.468 nan 8.230 nan 0.000 0.418 153 L N 5.038 126.237 121.223 -0.041 0.000 2.600 153 L HA 0.044 4.384 4.340 -0.000 0.000 0.278 153 L C 1.023 177.871 176.870 -0.037 0.000 1.139 153 L CA -0.017 54.797 54.840 -0.043 0.000 0.933 153 L CB 0.203 42.244 42.059 -0.030 0.000 1.266 153 L HN 0.665 nan 8.230 nan 0.000 0.471 154 L N 2.352 123.551 121.223 -0.040 0.000 2.276 154 L HA 0.117 4.457 4.340 -0.000 0.000 0.194 154 L C 1.057 177.911 176.870 -0.026 0.000 1.099 154 L CA 0.863 55.685 54.840 -0.030 0.000 0.800 154 L CB -0.114 41.931 42.059 -0.023 0.000 0.994 154 L HN 0.694 nan 8.230 nan 0.000 0.475 155 N N -0.099 118.583 118.700 -0.030 0.000 2.536 155 N HA 0.218 4.958 4.740 -0.000 0.000 0.286 155 N C -0.534 174.966 175.510 -0.016 0.000 1.577 155 N CA -0.036 53.000 53.050 -0.023 0.000 0.883 155 N CB 0.873 39.345 38.487 -0.026 0.000 1.390 155 N HN 0.076 nan 8.380 nan 0.000 0.491 156 A N 0.275 123.087 122.820 -0.014 0.000 2.328 156 A HA 0.243 4.563 4.320 -0.000 0.000 0.284 156 A C -0.008 177.597 177.584 0.035 0.000 1.160 156 A CA -0.358 51.684 52.037 0.009 0.000 0.818 156 A CB 0.324 19.320 19.000 -0.006 0.000 1.087 156 A HN 0.205 nan 8.150 nan 0.000 0.504 157 D N 3.041 123.485 120.400 0.073 0.000 2.367 157 D HA 0.198 4.838 4.640 -0.000 0.000 0.255 157 D C 0.956 177.275 176.300 0.032 0.000 1.300 157 D CA -0.388 53.642 54.000 0.050 0.000 0.959 157 D CB 0.218 41.046 40.800 0.047 0.000 1.064 157 D HN 0.301 nan 8.370 nan 0.000 0.509 158 L N 2.782 124.009 121.223 0.006 0.000 2.131 158 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 158 L C 2.384 179.221 176.870 -0.055 0.000 1.092 158 L CA 1.226 56.059 54.840 -0.010 0.000 0.759 158 L CB -1.710 40.343 42.059 -0.011 0.000 0.903 158 L HN 0.374 nan 8.230 nan 0.000 0.435 159 S N -1.140 114.516 115.700 -0.074 0.000 2.436 159 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 159 S C 2.092 176.596 174.600 -0.161 0.000 1.014 159 S CA 0.007 58.150 58.200 -0.095 0.000 0.950 159 S CB -0.291 62.862 63.200 -0.078 0.000 0.784 159 S HN 0.335 nan 8.310 nan 0.000 0.504 160 R N 0.760 121.118 120.500 -0.237 0.000 2.081 160 R HA 0.029 4.369 4.340 -0.000 0.000 0.235 160 R C 2.316 178.353 176.300 -0.438 0.000 1.131 160 R CA 1.292 57.175 56.100 -0.363 0.000 0.960 160 R CB -1.107 28.880 30.300 -0.521 0.000 0.856 160 R HN 0.469 nan 8.270 nan 0.000 0.436 161 L N 1.182 122.091 121.223 -0.524 0.000 2.051 161 L HA -0.219 4.121 4.340 -0.000 0.000 0.214 161 L C 2.248 179.056 176.870 -0.104 0.000 1.076 161 L CA 2.232 56.912 54.840 -0.267 0.000 0.758 161 L CB -0.650 41.365 42.059 -0.073 0.000 0.890 161 L HN 0.171 nan 8.230 nan 0.000 0.433 162 A N -0.675 122.064 122.820 -0.136 0.000 2.084 162 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 162 A C 1.858 179.332 177.584 -0.184 0.000 1.161 162 A CA 1.966 53.931 52.037 -0.121 0.000 0.653 162 A CB -0.829 18.105 19.000 -0.110 0.000 0.802 162 A HN 0.672 nan 8.150 nan 0.000 0.457 163 N N -1.882 116.619 118.700 -0.332 0.000 2.461 163 N HA 0.047 4.787 4.740 -0.000 0.000 0.188 163 N C 0.210 175.273 175.510 -0.744 0.000 1.134 163 N CA 0.742 53.460 53.050 -0.554 0.000 0.878 163 N CB -0.116 37.885 38.487 -0.810 0.000 0.972 163 N HN 0.679 nan 8.380 nan 0.000 0.456 164 Y N -0.486 119.776 120.300 -0.063 0.000 2.453 164 Y HA 0.369 4.919 4.550 -0.000 0.000 0.247 164 Y C 0.439 176.331 175.900 -0.013 0.000 1.124 164 Y CA -0.324 57.763 58.100 -0.021 0.000 1.243 164 Y CB 0.748 39.210 38.460 0.004 0.000 1.213 164 Y HN -0.145 nan 8.280 nan 0.000 0.523 165 L N 1.571 122.827 121.223 0.055 0.000 2.289 165 L HA 0.311 4.651 4.340 -0.000 0.000 0.285 165 L C -0.416 176.458 176.870 0.005 0.000 1.049 165 L CA -0.442 54.419 54.840 0.034 0.000 0.804 165 L CB 1.172 43.242 42.059 0.018 0.000 1.195 165 L HN 0.184 nan 8.230 nan 0.000 0.428 166 N N 3.939 122.649 118.700 0.016 0.000 2.518 166 N HA 0.196 4.936 4.740 -0.000 0.000 0.266 166 N C -2.235 173.273 175.510 -0.003 0.000 1.196 166 N CA -0.985 52.070 53.050 0.009 0.000 0.947 166 N CB 0.264 38.766 38.487 0.025 0.000 1.098 166 N HN 0.443 nan 8.380 nan 0.000 0.450 167 P HA 0.050 nan 4.420 nan 0.000 0.272 167 P C -1.103 176.188 177.300 -0.015 0.000 1.230 167 P CA 0.140 63.229 63.100 -0.018 0.000 0.788 167 P CB 0.704 32.391 31.700 -0.021 0.000 0.949 168 D N 0.613 120.999 120.400 -0.022 0.000 2.473 168 D HA 0.162 4.802 4.640 -0.000 0.000 0.253 168 D C 0.787 177.065 176.300 -0.038 0.000 1.233 168 D CA -0.574 53.409 54.000 -0.027 0.000 0.908 168 D CB 1.132 41.913 40.800 -0.031 0.000 1.170 168 D HN 0.052 nan 8.370 nan 0.000 0.558 169 K N 1.809 122.188 120.400 -0.035 0.000 2.020 169 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 169 K C 1.660 178.227 176.600 -0.055 0.000 1.050 169 K CA 1.451 57.715 56.287 -0.039 0.000 0.929 169 K CB 0.224 32.705 32.500 -0.032 0.000 0.714 169 K HN 0.341 nan 8.250 nan 0.000 0.443 170 K N 0.683 121.041 120.400 -0.070 0.000 2.147 170 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 170 K C 2.134 178.664 176.600 -0.116 0.000 1.049 170 K CA 1.206 57.430 56.287 -0.104 0.000 0.936 170 K CB -0.052 32.364 32.500 -0.139 0.000 0.722 170 K HN 0.139 nan 8.250 nan 0.000 0.446 171 K N 1.649 121.991 120.400 -0.096 0.000 1.991 171 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 171 K C 2.113 178.670 176.600 -0.071 0.000 1.045 171 K CA 0.861 57.095 56.287 -0.089 0.000 0.937 171 K CB -0.030 32.430 32.500 -0.067 0.000 0.720 171 K HN 0.004 nan 8.250 nan 0.000 0.438 172 L N 0.322 121.511 121.223 -0.056 0.000 2.093 172 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 172 L C 2.564 179.405 176.870 -0.047 0.000 1.085 172 L CA 1.136 55.949 54.840 -0.045 0.000 0.755 172 L CB -0.652 41.385 42.059 -0.037 0.000 0.904 172 L HN 0.249 nan 8.230 nan 0.000 0.435 173 A N 0.059 122.847 122.820 -0.053 0.000 2.167 173 A HA 0.223 4.543 4.320 -0.000 0.000 0.214 173 A C 2.242 179.789 177.584 -0.062 0.000 1.151 173 A CA 1.097 53.103 52.037 -0.052 0.000 0.735 173 A CB -0.352 18.618 19.000 -0.050 0.000 0.802 173 A HN 0.379 nan 8.150 nan 0.000 0.467 174 A N -1.602 121.171 122.820 -0.078 0.000 2.308 174 A HA 0.373 4.693 4.320 -0.000 0.000 0.217 174 A C 0.881 178.427 177.584 -0.063 0.000 1.216 174 A CA 0.321 52.307 52.037 -0.086 0.000 0.864 174 A CB 0.198 19.120 19.000 -0.131 0.000 0.902 174 A HN 0.182 nan 8.150 nan 0.000 0.499 184 V N 1.509 121.421 119.914 -0.003 0.000 2.483 184 V HA 0.463 4.583 4.120 -0.000 0.000 0.297 184 V C -0.538 175.552 176.094 -0.006 0.000 1.027 184 V CA -0.239 62.059 62.300 -0.003 0.000 0.855 184 V CB 1.956 33.778 31.823 -0.003 0.000 0.995 184 V HN 0.005 nan 8.190 nan 0.000 0.424 185 T N 4.855 119.404 114.554 -0.007 0.000 2.841 185 T HA 0.364 4.714 4.350 -0.000 0.000 0.285 185 T C -0.009 174.684 174.700 -0.012 0.000 0.991 185 T CA -0.489 61.605 62.100 -0.009 0.000 0.966 185 T CB 0.964 69.826 68.868 -0.009 0.000 0.962 185 T HN 0.613 nan 8.240 nan 0.000 0.438 186 N N 2.387 121.079 118.700 -0.013 0.000 2.374 186 N HA 0.083 4.823 4.740 -0.000 0.000 0.241 186 N C 1.295 176.795 175.510 -0.017 0.000 1.262 186 N CA 0.036 53.076 53.050 -0.016 0.000 0.880 186 N CB 0.659 39.137 38.487 -0.014 0.000 1.105 186 N HN 0.553 nan 8.380 nan 0.000 0.438 187 L N 0.890 122.101 121.223 -0.021 0.000 2.313 187 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 187 L C 2.208 179.067 176.870 -0.018 0.000 1.119 187 L CA 0.892 55.719 54.840 -0.021 0.000 0.809 187 L CB -0.506 41.537 42.059 -0.028 0.000 0.933 187 L HN 0.680 nan 8.230 nan 0.000 0.449 188 T N -3.354 111.190 114.554 -0.016 0.000 2.881 188 T HA -0.201 4.149 4.350 -0.000 0.000 0.270 188 T C 1.428 176.121 174.700 -0.012 0.000 1.068 188 T CA 0.979 63.071 62.100 -0.013 0.000 1.131 188 T CB -0.305 68.556 68.868 -0.012 0.000 0.871 188 T HN 0.379 nan 8.240 nan 0.000 0.479 189 E N 1.107 121.300 120.200 -0.012 0.000 2.401 189 E HA 0.034 4.384 4.350 -0.000 0.000 0.199 189 E C 1.377 177.971 176.600 -0.011 0.000 1.023 189 E CA 0.720 57.114 56.400 -0.010 0.000 0.859 189 E CB -0.281 29.413 29.700 -0.010 0.000 0.780 189 E HN 0.609 nan 8.360 nan 0.000 0.523 190 L N -0.660 120.556 121.223 -0.012 0.000 2.966 190 L HA 0.303 4.643 4.340 -0.000 0.000 0.262 190 L C 0.020 176.882 176.870 -0.013 0.000 1.165 190 L CA -0.106 54.726 54.840 -0.013 0.000 0.978 190 L CB 0.781 42.831 42.059 -0.014 0.000 1.337 190 L HN -0.048 nan 8.230 nan 0.000 0.563 191 L N 0.020 121.235 121.223 -0.013 0.000 2.348 191 L HA 0.256 4.596 4.340 -0.000 0.000 0.263 191 L C -1.847 175.017 176.870 -0.011 0.000 1.434 191 L CA -0.729 54.103 54.840 -0.013 0.000 0.801 191 L CB 1.480 43.529 42.059 -0.016 0.000 0.954 191 L HN -0.260 nan 8.230 nan 0.000 0.521 192 P HA -0.308 nan 4.420 nan 0.000 0.227 192 P C 1.637 178.933 177.300 -0.007 0.000 1.141 192 P CA 2.314 65.409 63.100 -0.007 0.000 0.964 192 P CB 0.167 31.864 31.700 -0.006 0.000 0.784 193 G N 0.631 109.427 108.800 -0.007 0.000 2.574 193 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 193 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 193 G C 0.653 175.550 174.900 -0.006 0.000 1.173 193 G CA 0.987 46.084 45.100 -0.006 0.000 0.772 193 G HN 0.447 nan 8.290 nan 0.000 0.585 194 I N 2.371 122.936 120.570 -0.009 0.000 2.845 194 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 194 I C 0.546 176.662 176.117 -0.002 0.000 1.202 194 I CA -0.236 61.057 61.300 -0.011 0.000 1.406 194 I CB -0.698 37.291 38.000 -0.018 0.000 1.383 194 I HN 0.052 nan 8.210 nan 0.000 0.549 195 T N 1.739 116.295 114.554 0.003 0.000 2.816 195 T HA 0.097 4.447 4.350 -0.000 0.000 0.282 195 T C 0.910 175.632 174.700 0.036 0.000 0.993 195 T CA 0.017 62.132 62.100 0.025 0.000 0.994 195 T CB 1.379 70.263 68.868 0.028 0.000 1.025 195 T HN 0.763 nan 8.240 nan 0.000 0.529 196 H N 0.141 119.188 119.070 -0.039 0.000 2.363 196 H HA -0.014 4.542 4.556 -0.000 0.000 0.301 196 H C 1.832 177.132 175.328 -0.047 0.000 1.074 196 H CA 1.923 57.939 56.048 -0.053 0.000 1.354 196 H CB -0.212 29.519 29.762 -0.052 0.000 1.397 196 H HN 0.721 nan 8.280 nan 0.000 0.516 197 E N 0.800 120.939 120.200 -0.101 0.000 2.068 197 E HA -0.284 4.066 4.350 -0.000 0.000 0.207 197 E C 2.390 178.905 176.600 -0.142 0.000 1.032 197 E CA 1.967 58.288 56.400 -0.132 0.000 0.839 197 E CB -0.317 29.375 29.700 -0.014 0.000 0.758 197 E HN 0.620 nan 8.360 nan 0.000 0.457 198 Q N -0.410 119.339 119.800 -0.085 0.000 2.096 198 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 198 Q C 2.146 178.081 176.000 -0.108 0.000 0.982 198 Q CA 1.629 57.386 55.803 -0.076 0.000 0.850 198 Q CB 0.010 28.721 28.738 -0.046 0.000 0.901 198 Q HN 0.169 nan 8.270 nan 0.000 0.422 199 V N -0.771 119.059 119.914 -0.140 0.000 2.453 199 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 199 V C 2.185 178.152 176.094 -0.211 0.000 1.048 199 V CA 1.366 63.571 62.300 -0.157 0.000 1.049 199 V CB -0.451 31.290 31.823 -0.137 0.000 0.672 199 V HN 0.528 nan 8.190 nan 0.000 0.457 200 C N -0.508 118.613 119.300 -0.299 0.000 2.425 200 C HA -0.127 4.332 4.460 -0.000 0.000 0.277 200 C C 2.725 177.595 174.990 -0.201 0.000 1.280 200 C CA 0.722 59.565 59.018 -0.291 0.000 1.744 200 C CB -0.831 26.687 27.740 -0.371 0.000 1.989 200 C HN 0.589 nan 8.230 nan 0.000 0.491 201 E N 0.936 121.040 120.200 -0.160 0.000 2.038 201 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 201 E C 2.363 178.905 176.600 -0.097 0.000 1.000 201 E CA 1.637 57.972 56.400 -0.109 0.000 0.803 201 E CB -0.259 29.398 29.700 -0.071 0.000 0.750 201 E HN 0.607 nan 8.360 nan 0.000 0.448 202 A N 1.521 124.286 122.820 -0.092 0.000 1.851 202 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 202 A C 2.251 179.796 177.584 -0.065 0.000 1.195 202 A CA 1.813 53.809 52.037 -0.068 0.000 0.622 202 A CB -0.924 18.034 19.000 -0.070 0.000 0.831 202 A HN 0.271 nan 8.150 nan 0.000 0.444 203 I N -0.366 120.147 120.570 -0.096 0.000 2.118 203 I HA -0.302 3.868 4.170 -0.000 0.000 0.241 203 I C 2.629 178.729 176.117 -0.029 0.000 1.070 203 I CA 1.955 63.219 61.300 -0.060 0.000 1.327 203 I CB -1.412 36.511 38.000 -0.128 0.000 1.034 203 I HN 0.303 nan 8.210 nan 0.000 0.405 204 T N 0.617 115.078 114.554 -0.155 0.000 2.592 204 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 204 T C 1.790 176.303 174.700 -0.312 0.000 1.060 204 T CA 1.792 63.701 62.100 -0.319 0.000 1.167 204 T CB -0.390 68.221 68.868 -0.427 0.000 0.863 204 T HN 0.391 nan 8.240 nan 0.000 0.431 205 E N 1.149 121.264 120.200 -0.143 0.000 2.110 205 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 205 E C 2.621 179.291 176.600 0.118 0.000 0.988 205 E CA 1.174 57.591 56.400 0.030 0.000 0.804 205 E CB -0.455 29.276 29.700 0.053 0.000 0.745 205 E HN 0.561 nan 8.360 nan 0.000 0.458 206 A N 0.885 123.761 122.820 0.094 0.000 1.972 206 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 206 A C 1.989 179.719 177.584 0.243 0.000 1.169 206 A CA 1.086 53.199 52.037 0.126 0.000 0.635 206 A CB -0.637 18.408 19.000 0.075 0.000 0.810 206 A HN 0.271 nan 8.150 nan 0.000 0.446 207 F N -0.096 119.936 119.950 0.136 0.000 2.074 207 F HA -0.067 4.460 4.527 0.000 0.000 0.293 207 F C 1.926 178.018 175.800 0.487 0.000 1.116 207 F CA 1.275 59.458 58.000 0.305 0.000 1.212 207 F CB -0.542 38.615 39.000 0.262 0.000 0.998 207 F HN 0.203 nan 8.300 nan 0.000 0.471 208 F N 1.243 121.306 119.950 0.189 0.000 2.085 208 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 208 F C 2.684 178.509 175.800 0.043 0.000 1.096 208 F CA 1.110 59.143 58.000 0.055 0.000 1.227 208 F CB -1.941 37.129 39.000 0.117 0.000 0.983 208 F HN 0.157 nan 8.300 nan 0.000 0.482 209 A N -0.553 122.430 122.820 0.270 0.000 1.835 209 A HA -0.281 4.039 4.320 -0.000 0.000 0.215 209 A C 2.057 179.680 177.584 0.065 0.000 1.199 209 A CA 1.909 54.031 52.037 0.141 0.000 0.615 209 A CB -1.544 17.527 19.000 0.118 0.000 0.838 209 A HN 0.515 nan 8.150 nan 0.000 0.444 210 H N -2.231 116.808 119.070 -0.052 0.000 2.492 210 H HA -0.180 4.376 4.556 -0.000 0.000 0.296 210 H C 0.824 175.911 175.328 -0.401 0.000 1.095 210 H CA 1.945 57.852 56.048 -0.235 0.000 1.281 210 H CB -0.235 29.328 29.762 -0.331 0.000 1.374 210 H HN 0.577 nan 8.280 nan 0.000 0.545 211 Y N -1.180 119.036 120.300 -0.140 0.000 2.507 211 Y HA 0.254 4.804 4.550 -0.000 0.000 0.254 211 Y C 2.063 177.877 175.900 -0.144 0.000 1.171 211 Y CA 0.215 58.196 58.100 -0.199 0.000 1.238 211 Y CB 0.503 38.856 38.460 -0.179 0.000 1.148 211 Y HN 0.368 nan 8.280 nan 0.000 0.525 212 G N 0.469 109.260 108.800 -0.015 0.000 2.366 212 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.263 212 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.263 212 G C 0.547 175.432 174.900 -0.024 0.000 0.986 212 G CA 1.086 46.175 45.100 -0.018 0.000 0.632 212 G HN 0.464 nan 8.290 nan 0.000 0.555 213 E N 0.146 120.330 120.200 -0.026 0.000 2.292 213 E HA 0.668 5.018 4.350 -0.000 0.000 0.258 213 E C 0.439 176.877 176.600 -0.270 0.000 1.115 213 E CA -0.912 55.421 56.400 -0.112 0.000 0.929 213 E CB 0.614 30.255 29.700 -0.100 0.000 1.161 213 E HN 0.565 nan 8.360 nan 0.000 0.453 214 R N 0.186 120.417 120.500 -0.448 0.000 2.668 214 R HA 0.522 4.862 4.340 -0.000 0.000 0.272 214 R C -1.441 174.468 176.300 -0.653 0.000 1.019 214 R CA -0.754 54.698 56.100 -1.080 0.000 0.894 214 R CB 1.493 31.137 30.300 -1.094 0.000 1.228 214 R HN 0.357 nan 8.270 nan 0.000 0.460 215 V N -1.199 118.355 119.914 -0.600 0.000 3.126 215 V HA 0.580 4.700 4.120 -0.000 0.000 0.314 215 V C -0.291 175.839 176.094 0.060 0.000 1.138 215 V CA -1.159 61.076 62.300 -0.107 0.000 1.034 215 V CB 1.853 33.720 31.823 0.073 0.000 1.075 215 V HN 0.769 nan 8.190 nan 0.000 0.442 216 E N 1.066 121.316 120.200 0.084 0.000 2.409 216 E HA 0.578 4.928 4.350 -0.000 0.000 0.257 216 E C 0.284 176.994 176.600 0.182 0.000 1.150 216 E CA 0.363 56.840 56.400 0.128 0.000 0.942 216 E CB 1.281 31.026 29.700 0.076 0.000 0.979 216 E HN 1.131 nan 8.360 nan 0.000 0.447 217 A N 1.802 124.722 122.820 0.167 0.000 2.302 217 A HA 0.290 4.610 4.320 -0.000 0.000 0.285 217 A C -0.299 177.343 177.584 0.097 0.000 1.105 217 A CA -0.346 51.776 52.037 0.142 0.000 0.816 217 A CB 0.316 19.384 19.000 0.113 0.000 1.067 217 A HN 0.533 nan 8.150 nan 0.000 0.489 218 E N 1.730 121.983 120.200 0.089 0.000 2.055 218 E HA 0.298 4.648 4.350 -0.000 0.000 0.274 218 E C -0.646 175.998 176.600 0.073 0.000 0.949 218 E CA -0.376 56.062 56.400 0.062 0.000 0.775 218 E CB 0.935 30.660 29.700 0.040 0.000 1.097 218 E HN 0.492 nan 8.360 nan 0.000 0.404 219 I N 5.033 125.639 120.570 0.060 0.000 2.396 219 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 219 I C 0.277 176.426 176.117 0.054 0.000 1.056 219 I CA -0.330 61.008 61.300 0.065 0.000 1.365 219 I CB -0.734 37.291 38.000 0.041 0.000 1.407 219 I HN 0.440 nan 8.210 nan 0.000 0.509 220 I N 3.533 124.160 120.570 0.096 0.000 2.498 220 I HA 0.753 4.923 4.170 -0.000 0.000 0.290 220 I C 0.000 176.169 176.117 0.086 0.000 1.032 220 I CA -0.413 60.947 61.300 0.100 0.000 1.073 220 I CB 2.152 40.223 38.000 0.118 0.000 1.251 220 I HN 0.598 nan 8.210 nan 0.000 0.426 221 S N 4.238 119.878 115.700 -0.100 0.000 2.661 221 S HA 0.689 5.159 4.470 -0.000 0.000 0.285 221 S C -2.414 171.793 174.600 -0.654 0.000 1.138 221 S CA -1.375 56.525 58.200 -0.500 0.000 0.855 221 S CB 2.013 65.030 63.200 -0.304 0.000 1.136 221 S HN 0.561 nan 8.310 nan 0.000 0.484 222 P HA 0.001 nan 4.420 nan 0.000 0.239 222 P C 0.633 177.924 177.300 -0.015 0.000 1.184 222 P CA 0.645 63.541 63.100 -0.341 0.000 0.760 222 P CB -0.690 30.895 31.700 -0.192 0.000 0.884 223 N N -0.540 118.112 118.700 -0.080 0.000 2.461 223 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 223 N C 0.414 175.939 175.510 0.024 0.000 1.134 223 N CA 0.155 53.203 53.050 -0.003 0.000 0.878 223 N CB 0.137 38.608 38.487 -0.027 0.000 0.972 223 N HN 0.092 nan 8.380 nan 0.000 0.456 224 K N 1.000 121.414 120.400 0.022 0.000 2.513 224 K HA 0.194 4.514 4.320 -0.000 0.000 0.251 224 K C -1.101 175.524 176.600 0.041 0.000 0.939 224 K CA -0.494 55.811 56.287 0.030 0.000 0.793 224 K CB 2.409 34.907 32.500 -0.004 0.000 1.241 224 K HN -0.130 nan 8.250 nan 0.000 0.431 225 T N 4.985 119.576 114.554 0.061 0.000 2.758 225 T HA 0.066 4.416 4.350 -0.000 0.000 0.281 225 T C -2.237 172.392 174.700 -0.117 0.000 0.963 225 T CA -0.667 61.453 62.100 0.033 0.000 1.201 225 T CB 0.037 68.963 68.868 0.097 0.000 0.906 225 T HN 0.245 nan 8.240 nan 0.000 0.528 226 P HA 0.085 nan 4.420 nan 0.000 0.271 226 P C 0.055 177.208 177.300 -0.246 0.000 1.233 226 P CA -0.483 62.404 63.100 -0.355 0.000 0.789 226 P CB 0.450 31.744 31.700 -0.678 0.000 0.951 227 D N 1.334 121.633 120.400 -0.169 0.000 2.671 227 D HA 0.168 4.808 4.640 -0.000 0.000 0.228 227 D C -0.917 175.321 176.300 -0.103 0.000 1.102 227 D CA 0.416 54.356 54.000 -0.099 0.000 1.044 227 D CB -1.103 39.657 40.800 -0.068 0.000 1.113 227 D HN 0.171 nan 8.370 nan 0.000 0.480 228 L N 2.365 123.530 121.223 -0.098 0.000 2.445 228 L HA 0.445 4.785 4.340 -0.000 0.000 0.262 228 L C -2.252 174.636 176.870 0.030 0.000 0.974 228 L CA -1.949 52.860 54.840 -0.052 0.000 0.822 228 L CB 2.691 44.698 42.059 -0.086 0.000 1.339 228 L HN 0.006 nan 8.230 nan 0.000 0.409 229 P HA 0.157 nan 4.420 nan 0.000 0.275 229 P C -0.671 176.660 177.300 0.052 0.000 1.227 229 P CA -0.106 63.011 63.100 0.029 0.000 0.781 229 P CB 0.388 32.088 31.700 0.001 0.000 0.906 230 N N 0.095 118.826 118.700 0.052 0.000 2.714 230 N HA -0.266 4.474 4.740 -0.000 0.000 0.252 230 N C 0.197 175.742 175.510 0.058 0.000 1.014 230 N CA 0.223 53.296 53.050 0.039 0.000 0.735 230 N CB -1.755 36.728 38.487 -0.008 0.000 0.924 230 N HN 0.393 nan 8.380 nan 0.000 0.540 231 F N 0.795 120.735 119.950 -0.016 0.000 2.098 231 F HA 0.017 4.544 4.527 -0.000 0.000 0.294 231 F C 2.277 178.118 175.800 0.068 0.000 1.107 231 F CA 1.577 59.571 58.000 -0.010 0.000 1.234 231 F CB -0.605 38.379 39.000 -0.026 0.000 1.002 231 F HN 0.254 nan 8.300 nan 0.000 0.472 232 A N 0.116 123.027 122.820 0.152 0.000 1.869 232 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 232 A C 2.105 179.666 177.584 -0.038 0.000 1.203 232 A CA 2.294 54.389 52.037 0.096 0.000 0.638 232 A CB -1.256 17.818 19.000 0.123 0.000 0.831 232 A HN 0.488 nan 8.150 nan 0.000 0.450 233 E N -0.669 119.503 120.200 -0.046 0.000 2.110 233 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 233 E C 2.041 178.562 176.600 -0.132 0.000 0.988 233 E CA 2.027 58.381 56.400 -0.077 0.000 0.804 233 E CB -0.614 29.050 29.700 -0.059 0.000 0.745 233 E HN 0.545 nan 8.360 nan 0.000 0.458 234 T N 0.581 115.030 114.554 -0.175 0.000 2.674 234 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 234 T C 1.384 175.946 174.700 -0.229 0.000 1.039 234 T CA 1.255 63.218 62.100 -0.228 0.000 1.150 234 T CB -0.598 68.109 68.868 -0.267 0.000 0.864 234 T HN 0.215 nan 8.240 nan 0.000 0.427 235 F N 2.690 122.267 119.950 -0.620 0.000 2.091 235 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 235 F C 2.520 178.196 175.800 -0.206 0.000 1.103 235 F CA 0.897 58.595 58.000 -0.503 0.000 1.228 235 F CB -1.293 37.327 39.000 -0.634 0.000 0.984 235 F HN 0.168 nan 8.300 nan 0.000 0.477 236 A N 0.402 123.058 122.820 -0.273 0.000 1.873 236 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 236 A C 2.451 179.915 177.584 -0.199 0.000 1.193 236 A CA 2.156 54.019 52.037 -0.290 0.000 0.629 236 A CB -0.913 17.980 19.000 -0.178 0.000 0.826 236 A HN 0.450 nan 8.150 nan 0.000 0.447 237 R N -1.425 118.977 120.500 -0.163 0.000 2.081 237 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 237 R C 2.551 178.765 176.300 -0.144 0.000 1.131 237 R CA 1.816 57.818 56.100 -0.164 0.000 0.960 237 R CB -0.222 29.938 30.300 -0.233 0.000 0.856 237 R HN 0.689 nan 8.270 nan 0.000 0.436 238 Q N 0.194 119.933 119.800 -0.101 0.000 2.172 238 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 238 Q C 1.418 177.574 176.000 0.258 0.000 0.964 238 Q CA 1.779 57.624 55.803 0.071 0.000 0.855 238 Q CB 0.191 29.011 28.738 0.136 0.000 0.918 238 Q HN 0.282 nan 8.270 nan 0.000 0.444 239 S N -0.739 114.973 115.700 0.019 0.000 2.710 239 S HA 0.169 4.639 4.470 -0.000 0.000 0.224 239 S C 0.059 174.468 174.600 -0.318 0.000 0.948 239 S CA -0.144 57.886 58.200 -0.282 0.000 0.949 239 S CB -0.211 62.739 63.200 -0.417 0.000 0.778 239 S HN 0.265 nan 8.310 nan 0.000 0.498 240 S N -0.047 115.617 115.700 -0.061 0.000 2.489 240 S HA 0.391 4.861 4.470 -0.000 0.000 0.291 240 S C 0.194 174.868 174.600 0.123 0.000 1.151 240 S CA -0.991 57.213 58.200 0.007 0.000 1.082 240 S CB 0.727 63.960 63.200 0.055 0.000 1.019 240 S HN 0.594 nan 8.310 nan 0.000 0.492 241 W N 2.610 123.899 121.300 -0.018 0.000 2.313 241 W HA -0.184 4.476 4.660 0.000 0.000 0.293 241 W C 1.726 178.347 176.519 0.170 0.000 1.216 241 W CA 1.851 59.254 57.345 0.095 0.000 1.223 241 W CB -0.013 29.484 29.460 0.061 0.000 1.138 241 W HN 0.797 nan 8.180 nan 0.000 0.535 242 E N -0.434 119.991 120.200 0.376 0.000 2.072 242 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 242 E C 1.979 178.628 176.600 0.082 0.000 0.985 242 E CA 1.643 58.193 56.400 0.251 0.000 0.801 242 E CB -1.354 28.533 29.700 0.313 0.000 0.750 242 E HN 0.636 nan 8.360 nan 0.000 0.452 243 W N 1.783 123.070 121.300 -0.023 0.000 2.407 243 W HA -0.146 4.514 4.660 -0.000 0.000 0.305 243 W C 1.277 177.736 176.519 -0.101 0.000 1.196 243 W CA 1.270 58.590 57.345 -0.042 0.000 1.311 243 W CB -0.240 29.206 29.460 -0.023 0.000 1.135 243 W HN 0.046 nan 8.180 nan 0.000 0.514 244 N N -0.592 117.874 118.700 -0.390 0.000 2.173 244 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 244 N C 1.616 176.676 175.510 -0.750 0.000 1.025 244 N CA 1.952 54.642 53.050 -0.600 0.000 0.852 244 N CB -0.620 37.719 38.487 -0.246 0.000 0.998 244 N HN -0.029 nan 8.380 nan 0.000 0.427 245 F N 0.208 119.685 119.950 -0.788 0.000 2.222 245 F HA 0.303 4.830 4.527 0.000 0.000 0.285 245 F C 1.547 176.935 175.800 -0.685 0.000 1.068 245 F CA 0.927 58.365 58.000 -0.937 0.000 1.265 245 F CB -0.531 37.528 39.000 -1.567 0.000 1.087 245 F HN -0.002 nan 8.300 nan 0.000 0.511 246 G N 1.419 109.834 108.800 -0.641 0.000 2.870 246 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.685 246 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.685 246 G C -0.492 174.547 174.900 0.231 0.000 1.556 246 G CA -0.704 44.296 45.100 -0.167 0.000 1.042 246 G HN 0.356 nan 8.290 nan 0.000 0.592 247 Q N 0.243 120.274 119.800 0.385 0.000 2.386 247 Q HA 0.412 4.752 4.340 -0.000 0.000 0.282 247 Q C 1.030 177.113 176.000 0.138 0.000 1.050 247 Q CA 0.357 56.347 55.803 0.312 0.000 0.918 247 Q CB 0.475 29.323 28.738 0.184 0.000 1.266 247 Q HN 1.448 nan 8.270 nan 0.000 0.423 248 A N 4.421 127.001 122.820 -0.400 0.000 2.540 248 A HA 0.181 4.501 4.320 -0.000 0.000 0.239 248 A C -1.862 175.652 177.584 -0.117 0.000 1.061 248 A CA -1.048 50.722 52.037 -0.444 0.000 0.758 248 A CB -0.430 18.050 19.000 -0.867 0.000 0.991 248 A HN 0.476 nan 8.150 nan 0.000 0.502 249 P HA 0.264 nan 4.420 nan 0.000 0.266 249 P C -0.605 176.761 177.300 0.110 0.000 1.215 249 P CA 0.368 63.552 63.100 0.140 0.000 0.763 249 P CB 0.820 32.507 31.700 -0.022 0.000 0.806 250 A N 4.416 127.198 122.820 -0.063 0.000 2.536 250 A HA 0.644 4.964 4.320 -0.000 0.000 0.329 250 A C -0.812 176.601 177.584 -0.285 0.000 1.321 250 A CA -0.449 51.522 52.037 -0.110 0.000 0.804 250 A CB -0.213 18.690 19.000 -0.161 0.000 1.126 250 A HN 0.372 nan 8.150 nan 0.000 0.480 251 F N 0.100 120.089 119.950 0.065 0.000 2.814 251 F HA 0.573 5.100 4.527 0.000 0.000 0.353 251 F C 1.427 177.217 175.800 -0.017 0.000 1.177 251 F CA 0.076 58.112 58.000 0.060 0.000 1.036 251 F CB 1.789 40.871 39.000 0.138 0.000 1.455 251 F HN 0.373 nan 8.300 nan 0.000 0.520 252 S N -2.218 113.576 115.700 0.157 0.000 2.649 252 S HA 0.323 4.793 4.470 -0.000 0.000 0.246 252 S C -0.494 173.814 174.600 -0.485 0.000 1.057 252 S CA -0.044 58.073 58.200 -0.138 0.000 1.051 252 S CB -0.435 62.675 63.200 -0.151 0.000 1.018 252 S HN 0.596 nan 8.310 nan 0.000 0.569 253 H N 0.797 119.611 119.070 -0.426 0.000 2.569 253 H HA 0.779 5.335 4.556 0.000 0.000 0.357 253 H C -1.186 173.750 175.328 -0.655 0.000 1.153 253 H CA -0.700 54.916 56.048 -0.720 0.000 1.193 253 H CB 1.858 30.712 29.762 -1.513 0.000 1.602 253 H HN 0.222 nan 8.280 nan 0.000 0.523 254 L N 3.276 124.336 121.223 -0.270 0.000 2.406 254 L HA 0.508 4.848 4.340 -0.000 0.000 0.272 254 L C -1.910 174.974 176.870 0.024 0.000 0.980 254 L CA -0.374 54.348 54.840 -0.196 0.000 0.831 254 L CB 1.031 42.960 42.059 -0.216 0.000 1.253 254 L HN 0.589 nan 8.230 nan 0.000 0.406 255 L N 4.343 125.673 121.223 0.179 0.000 2.386 255 L HA 0.694 5.034 4.340 -0.000 0.000 0.271 255 L C -1.455 175.647 176.870 0.387 0.000 0.993 255 L CA -0.729 54.299 54.840 0.314 0.000 0.819 255 L CB 2.239 44.518 42.059 0.367 0.000 1.294 255 L HN 0.748 nan 8.230 nan 0.000 0.414 256 D N 0.644 121.261 120.400 0.360 0.000 2.753 256 D HA 0.645 5.285 4.640 -0.000 0.000 0.224 256 D C -1.062 175.186 176.300 -0.087 0.000 1.213 256 D CA -0.587 53.497 54.000 0.139 0.000 0.833 256 D CB 2.479 43.299 40.800 0.032 0.000 1.607 256 D HN 0.345 nan 8.370 nan 0.000 0.463 257 E N -0.099 119.776 120.200 -0.542 0.000 2.390 257 E HA 0.601 4.951 4.350 -0.000 0.000 0.277 257 E C -1.779 174.261 176.600 -0.935 0.000 0.939 257 E CA -0.828 54.998 56.400 -0.956 0.000 0.769 257 E CB 1.819 30.285 29.700 -2.057 0.000 1.251 257 E HN 0.415 nan 8.360 nan 0.000 0.450 258 R N 3.266 123.230 120.500 -0.894 0.000 2.337 258 R HA 0.511 4.851 4.340 -0.000 0.000 0.319 258 R C -1.618 174.166 176.300 -0.860 0.000 0.954 258 R CA -0.238 55.448 56.100 -0.690 0.000 0.840 258 R CB 0.032 30.099 30.300 -0.388 0.000 1.164 258 R HN 0.365 nan 8.270 nan 0.000 0.472 259 F N 0.934 120.461 119.950 -0.705 0.000 2.411 259 F HA 0.268 4.795 4.527 -0.000 0.000 0.324 259 F C 2.012 177.433 175.800 -0.632 0.000 1.086 259 F CA -0.262 57.254 58.000 -0.807 0.000 1.028 259 F CB 1.335 39.413 39.000 -1.538 0.000 1.284 259 F HN 0.667 nan 8.300 nan 0.000 0.501 260 T N -2.570 111.859 114.554 -0.208 0.000 2.822 260 T HA -0.222 4.128 4.350 -0.000 0.000 0.270 260 T C 1.073 175.759 174.700 -0.022 0.000 1.064 260 T CA 1.478 63.539 62.100 -0.065 0.000 1.131 260 T CB -0.475 68.432 68.868 0.066 0.000 0.858 260 T HN 0.767 nan 8.240 nan 0.000 0.483 261 W N 1.370 122.729 121.300 0.098 0.000 3.239 261 W HA 0.625 5.285 4.660 -0.000 0.000 0.368 261 W C 0.379 176.935 176.519 0.062 0.000 1.154 261 W CA -0.517 56.861 57.345 0.056 0.000 1.860 261 W CB -0.468 29.002 29.460 0.016 0.000 1.094 261 W HN 0.537 nan 8.180 nan 0.000 0.643 262 G N 0.209 108.937 108.800 -0.119 0.000 2.350 262 G HA2 0.315 4.275 3.960 -0.000 0.000 0.305 262 G HA3 0.315 4.275 3.960 -0.000 0.000 0.305 262 G C -1.020 173.764 174.900 -0.194 0.000 1.479 262 G CA -0.464 44.615 45.100 -0.035 0.000 0.949 262 G HN 0.271 nan 8.290 nan 0.000 0.651 263 G N -1.238 107.510 108.800 -0.086 0.000 2.377 263 G HA2 0.665 4.625 3.960 -0.000 0.000 0.299 263 G HA3 0.665 4.625 3.960 -0.000 0.000 0.299 263 G C -0.648 174.243 174.900 -0.014 0.000 1.150 263 G CA -0.392 44.640 45.100 -0.113 0.000 0.847 263 G HN 1.252 nan 8.290 nan 0.000 0.501 264 V N 2.336 122.217 119.914 -0.055 0.000 2.483 264 V HA 0.349 4.469 4.120 -0.000 0.000 0.297 264 V C -0.658 175.491 176.094 0.091 0.000 1.027 264 V CA -0.771 61.573 62.300 0.072 0.000 0.855 264 V CB 1.747 33.641 31.823 0.118 0.000 0.995 264 V HN 0.858 nan 8.190 nan 0.000 0.424 265 E N 4.092 124.428 120.200 0.228 0.000 2.158 265 E HA 0.565 4.915 4.350 -0.000 0.000 0.271 265 E C -1.023 175.799 176.600 0.369 0.000 0.911 265 E CA -0.639 55.925 56.400 0.273 0.000 0.767 265 E CB 2.283 32.173 29.700 0.316 0.000 1.120 265 E HN 0.447 nan 8.360 nan 0.000 0.405 266 L N 4.309 125.718 121.223 0.310 0.000 2.276 266 L HA 0.282 4.622 4.340 -0.000 0.000 0.286 266 L C -1.220 175.795 176.870 0.243 0.000 1.024 266 L CA -0.365 54.667 54.840 0.322 0.000 0.826 266 L CB 0.267 42.540 42.059 0.357 0.000 1.211 266 L HN 0.592 nan 8.230 nan 0.000 0.422 267 H N 6.375 125.517 119.070 0.121 0.000 2.467 267 H HA 0.586 5.142 4.556 -0.000 0.000 0.326 267 H C -1.005 174.124 175.328 -0.332 0.000 1.094 267 H CA -0.151 55.803 56.048 -0.155 0.000 1.253 267 H CB 1.212 30.726 29.762 -0.415 0.000 1.439 267 H HN 0.621 nan 8.280 nan 0.000 0.479 268 F N -0.467 119.370 119.950 -0.189 0.000 2.713 268 F HA 0.392 4.919 4.527 0.000 0.000 0.311 268 F C -1.656 174.304 175.800 0.267 0.000 1.141 268 F CA -1.338 56.632 58.000 -0.051 0.000 0.939 268 F CB 1.107 40.068 39.000 -0.065 0.000 1.325 268 F HN 0.146 nan 8.300 nan 0.000 0.453 269 D N 1.251 121.924 120.400 0.455 0.000 2.256 269 D HA 0.637 5.277 4.640 -0.000 0.000 0.246 269 D C -0.983 175.460 176.300 0.239 0.000 1.042 269 D CA -0.349 53.851 54.000 0.333 0.000 0.841 269 D CB 2.405 43.387 40.800 0.303 0.000 1.223 269 D HN 0.544 nan 8.370 nan 0.000 0.470 270 V N 1.950 121.931 119.914 0.112 0.000 2.495 270 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 270 V C -0.184 175.957 176.094 0.078 0.000 1.031 270 V CA -0.652 61.650 62.300 0.003 0.000 0.871 270 V CB 1.608 33.261 31.823 -0.283 0.000 0.988 270 V HN 0.438 nan 8.190 nan 0.000 0.432 271 E N 2.877 123.136 120.200 0.099 0.000 2.331 271 E HA 0.476 4.826 4.350 -0.000 0.000 0.275 271 E C -0.835 175.844 176.600 0.131 0.000 0.895 271 E CA -1.006 55.454 56.400 0.101 0.000 0.753 271 E CB 1.952 31.705 29.700 0.089 0.000 1.216 271 E HN 0.593 nan 8.360 nan 0.000 0.434 272 K N 1.016 121.488 120.400 0.119 0.000 3.071 272 K HA -0.303 4.017 4.320 -0.000 0.000 0.262 272 K C 0.600 177.355 176.600 0.257 0.000 0.977 272 K CA 0.763 57.139 56.287 0.148 0.000 0.721 272 K CB -1.826 30.745 32.500 0.119 0.000 1.293 272 K HN 1.114 nan 8.250 nan 0.000 0.475 273 G N -0.315 108.589 108.800 0.174 0.000 2.162 273 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 273 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 273 G C -0.139 174.712 174.900 -0.081 0.000 0.976 273 G CA 1.055 46.208 45.100 0.088 0.000 0.655 273 G HN 0.670 nan 8.290 nan 0.000 0.533 274 H N -1.080 118.043 119.070 0.088 0.000 2.797 274 H HA 0.675 5.231 4.556 -0.000 0.000 0.372 274 H C 0.395 175.767 175.328 0.073 0.000 1.168 274 H CA -0.932 55.168 56.048 0.086 0.000 1.163 274 H CB 1.160 30.959 29.762 0.062 0.000 1.778 274 H HN 0.157 nan 8.280 nan 0.000 0.551 275 I N 1.757 122.437 120.570 0.183 0.000 2.416 275 I HA 0.028 4.198 4.170 -0.000 0.000 0.288 275 I C 0.852 177.069 176.117 0.167 0.000 1.051 275 I CA 0.089 61.472 61.300 0.139 0.000 1.375 275 I CB 1.182 39.223 38.000 0.068 0.000 1.407 275 I HN 0.813 nan 8.210 nan 0.000 0.516 276 T N 3.254 117.915 114.554 0.179 0.000 3.044 276 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 276 T C 0.468 175.278 174.700 0.183 0.000 1.081 276 T CA -0.225 61.969 62.100 0.158 0.000 1.040 276 T CB 0.111 69.060 68.868 0.135 0.000 0.962 276 T HN 0.755 nan 8.240 nan 0.000 0.506 277 R N -0.387 120.268 120.500 0.258 0.000 2.833 277 R HA 0.701 5.041 4.340 -0.000 0.000 0.259 277 R C -2.164 174.390 176.300 0.423 0.000 1.047 277 R CA -1.050 55.259 56.100 0.349 0.000 0.916 277 R CB 0.522 31.057 30.300 0.392 0.000 1.259 277 R HN 0.197 nan 8.270 nan 0.000 0.482 278 A N 1.349 124.352 122.820 0.305 0.000 2.612 278 A HA 0.716 5.036 4.320 -0.000 0.000 0.293 278 A C -1.699 175.860 177.584 -0.043 0.000 1.075 278 A CA -0.650 51.405 52.037 0.029 0.000 0.680 278 A CB 2.644 21.678 19.000 0.057 0.000 1.279 278 A HN 0.788 nan 8.150 nan 0.000 0.411 279 Q N 0.224 119.911 119.800 -0.189 0.000 2.426 279 Q HA 0.636 4.976 4.340 -0.000 0.000 0.278 279 Q C -2.320 173.650 176.000 -0.051 0.000 1.007 279 Q CA -0.538 55.197 55.803 -0.113 0.000 0.850 279 Q CB 2.505 31.220 28.738 -0.039 0.000 1.427 279 Q HN 0.854 nan 8.270 nan 0.000 0.391 280 V N 3.314 123.114 119.914 -0.190 0.000 2.686 280 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 280 V C -1.275 174.662 176.094 -0.261 0.000 1.065 280 V CA -0.514 61.763 62.300 -0.040 0.000 0.894 280 V CB 1.693 33.529 31.823 0.021 0.000 1.004 280 V HN 0.660 nan 8.190 nan 0.000 0.424 281 F N 1.897 121.940 119.950 0.155 0.000 2.522 281 F HA 0.808 5.335 4.527 -0.000 0.000 0.324 281 F C 0.404 176.271 175.800 0.112 0.000 1.077 281 F CA -0.417 57.653 58.000 0.117 0.000 0.944 281 F CB 2.439 41.512 39.000 0.122 0.000 1.175 281 F HN 0.454 nan 8.300 nan 0.000 0.468 282 T N -0.013 114.684 114.554 0.238 0.000 2.843 282 T HA 0.296 4.646 4.350 -0.000 0.000 0.302 282 T C -0.663 174.128 174.700 0.152 0.000 1.232 282 T CA -0.631 61.582 62.100 0.189 0.000 1.009 282 T CB 1.282 70.267 68.868 0.195 0.000 1.254 282 T HN 0.666 nan 8.240 nan 0.000 0.504 283 D N 0.539 121.014 120.400 0.125 0.000 2.398 283 D HA 0.211 4.851 4.640 -0.000 0.000 0.210 283 D C 0.873 177.245 176.300 0.119 0.000 1.094 283 D CA -0.153 53.906 54.000 0.099 0.000 0.839 283 D CB -0.069 40.770 40.800 0.065 0.000 0.963 283 D HN 0.367 nan 8.370 nan 0.000 0.506 284 S N 0.365 116.169 115.700 0.173 0.000 2.599 284 S HA -0.070 4.400 4.470 -0.000 0.000 0.303 284 S C 1.379 176.069 174.600 0.150 0.000 1.267 284 S CA -0.350 57.983 58.200 0.223 0.000 1.055 284 S CB 0.208 63.601 63.200 0.322 0.000 0.790 284 S HN 0.299 nan 8.310 nan 0.000 0.500 285 L N 2.840 124.147 121.223 0.141 0.000 2.083 285 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 285 L C 1.201 178.120 176.870 0.082 0.000 1.083 285 L CA 1.168 56.071 54.840 0.104 0.000 0.752 285 L CB -0.361 41.760 42.059 0.104 0.000 0.899 285 L HN 0.732 nan 8.230 nan 0.000 0.433 286 N N -0.159 118.583 118.700 0.071 0.000 2.569 286 N HA 0.167 4.907 4.740 -0.000 0.000 0.254 286 N C -1.985 173.545 175.510 0.034 0.000 1.004 286 N CA -2.063 51.018 53.050 0.051 0.000 0.904 286 N CB 1.235 39.748 38.487 0.043 0.000 1.165 286 N HN -0.176 nan 8.380 nan 0.000 0.513 287 P HA 0.061 nan 4.420 nan 0.000 0.245 287 P C 0.844 178.149 177.300 0.008 0.000 1.212 287 P CA 0.186 63.309 63.100 0.038 0.000 0.774 287 P CB 0.336 32.070 31.700 0.056 0.000 0.999 288 A N 2.668 125.510 122.820 0.037 0.000 1.873 288 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 288 A C -0.019 177.530 177.584 -0.059 0.000 1.193 288 A CA 1.951 54.041 52.037 0.088 0.000 0.629 288 A CB -2.229 16.917 19.000 0.244 0.000 0.826 288 A HN 0.245 nan 8.150 nan 0.000 0.447 289 P HA -0.069 nan 4.420 nan 0.000 0.225 289 P C 1.063 178.146 177.300 -0.363 0.000 1.148 289 P CA 0.815 63.436 63.100 -0.798 0.000 0.779 289 P CB -0.062 31.030 31.700 -1.014 0.000 0.780 290 L N -0.163 120.952 121.223 -0.179 0.000 2.145 290 L HA 0.014 4.354 4.340 -0.000 0.000 0.201 290 L C 2.626 179.465 176.870 -0.051 0.000 1.075 290 L CA 1.405 56.202 54.840 -0.072 0.000 0.773 290 L CB -1.485 40.588 42.059 0.024 0.000 0.936 290 L HN -0.160 nan 8.230 nan 0.000 0.451 291 E N 0.377 120.553 120.200 -0.039 0.000 2.136 291 E HA -0.323 4.027 4.350 -0.000 0.000 0.202 291 E C 2.239 178.833 176.600 -0.009 0.000 1.019 291 E CA 1.677 58.066 56.400 -0.020 0.000 0.819 291 E CB -0.300 29.407 29.700 0.012 0.000 0.739 291 E HN 0.536 nan 8.360 nan 0.000 0.458 292 A N 0.687 123.492 122.820 -0.024 0.000 1.872 292 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 292 A C 2.174 179.748 177.584 -0.016 0.000 1.187 292 A CA 1.085 53.131 52.037 0.014 0.000 0.614 292 A CB -0.599 18.440 19.000 0.065 0.000 0.826 292 A HN 0.262 nan 8.150 nan 0.000 0.442 293 L N 0.068 121.248 121.223 -0.071 0.000 2.042 293 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 293 L C 2.533 179.394 176.870 -0.016 0.000 1.076 293 L CA 2.348 57.160 54.840 -0.047 0.000 0.749 293 L CB -0.737 41.288 42.059 -0.056 0.000 0.893 293 L HN 0.336 nan 8.230 nan 0.000 0.432 294 A N -0.088 122.724 122.820 -0.013 0.000 1.917 294 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 294 A C 2.377 179.968 177.584 0.011 0.000 1.182 294 A CA 1.789 53.824 52.037 -0.003 0.000 0.633 294 A CB -1.765 17.224 19.000 -0.018 0.000 0.819 294 A HN 0.572 nan 8.150 nan 0.000 0.448 295 G N -0.966 107.844 108.800 0.017 0.000 2.448 295 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 295 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 295 G C 1.556 176.474 174.900 0.030 0.000 1.127 295 G CA 0.675 45.793 45.100 0.030 0.000 0.766 295 G HN 0.558 nan 8.290 nan 0.000 0.552 296 R N -0.343 120.170 120.500 0.021 0.000 2.320 296 R HA 0.324 4.664 4.340 -0.000 0.000 0.211 296 R C 1.541 177.850 176.300 0.014 0.000 0.931 296 R CA -0.114 55.998 56.100 0.020 0.000 1.071 296 R CB 0.023 30.332 30.300 0.015 0.000 1.025 296 R HN 0.359 nan 8.270 nan 0.000 0.495 297 L N 0.272 121.502 121.223 0.012 0.000 2.515 297 L HA 0.076 4.416 4.340 -0.000 0.000 0.223 297 L C 0.407 177.294 176.870 0.029 0.000 1.079 297 L CA 0.065 54.905 54.840 -0.000 0.000 0.857 297 L CB 0.137 42.177 42.059 -0.032 0.000 1.050 297 L HN 0.077 nan 8.230 nan 0.000 0.476 298 Q N 1.299 121.129 119.800 0.049 0.000 2.339 298 Q HA 0.028 4.368 4.340 -0.000 0.000 0.308 298 Q C 1.179 177.225 176.000 0.077 0.000 1.097 298 Q CA 1.203 57.050 55.803 0.073 0.000 1.007 298 Q CB 0.010 28.790 28.738 0.070 0.000 1.051 298 Q HN 0.484 nan 8.270 nan 0.000 0.381 299 G N 1.577 110.438 108.800 0.103 0.000 2.195 299 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 299 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 299 G C 0.404 175.419 174.900 0.192 0.000 0.984 299 G CA -0.083 45.090 45.100 0.122 0.000 0.633 299 G HN 0.767 nan 8.290 nan 0.000 0.525 300 C N 1.436 120.815 119.300 0.133 0.000 2.662 300 C HA 0.599 5.059 4.460 -0.000 0.000 0.420 300 C C 1.550 176.589 174.990 0.082 0.000 1.314 300 C CA -0.554 58.524 59.018 0.099 0.000 1.963 300 C CB -0.466 27.288 27.740 0.023 0.000 2.686 300 C HN 0.828 nan 8.230 nan 0.000 0.609 301 L N 5.513 126.724 121.223 -0.020 0.000 2.506 301 L HA 0.139 4.479 4.340 -0.000 0.000 0.281 301 L C -0.194 176.587 176.870 -0.147 0.000 1.228 301 L CA 0.418 55.059 54.840 -0.333 0.000 0.850 301 L CB 0.207 42.093 42.059 -0.287 0.000 1.110 301 L HN 0.764 nan 8.230 nan 0.000 0.496 302 Y N 5.992 126.122 120.300 -0.283 0.000 2.802 302 Y HA 0.547 5.097 4.550 0.000 0.000 0.330 302 Y C -0.228 175.569 175.900 -0.172 0.000 1.193 302 Y CA -0.339 57.640 58.100 -0.201 0.000 1.427 302 Y CB -0.320 38.051 38.460 -0.148 0.000 1.357 302 Y HN 0.654 nan 8.280 nan 0.000 0.501 303 R N 2.612 122.805 120.500 -0.511 0.000 2.664 303 R HA 0.559 4.899 4.340 -0.000 0.000 0.266 303 R C 0.354 176.447 176.300 -0.345 0.000 1.046 303 R CA 0.105 55.932 56.100 -0.455 0.000 0.885 303 R CB 1.200 31.341 30.300 -0.266 0.000 1.254 303 R HN 0.514 nan 8.270 nan 0.000 0.465 304 A N 1.933 124.573 122.820 -0.301 0.000 1.869 304 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 304 A C 0.481 177.966 177.584 -0.164 0.000 1.203 304 A CA 2.131 54.031 52.037 -0.229 0.000 0.638 304 A CB -0.993 17.899 19.000 -0.181 0.000 0.831 304 A HN 0.845 nan 8.150 nan 0.000 0.450 308 Q N 0.639 120.388 119.800 -0.085 0.000 2.016 308 Q HA -0.251 4.089 4.340 -0.000 0.000 0.200 308 Q C 1.722 177.699 176.000 -0.037 0.000 0.978 308 Q CA 2.184 57.954 55.803 -0.055 0.000 0.833 308 Q CB -0.001 28.706 28.738 -0.053 0.000 0.895 308 Q HN 0.281 nan 8.270 nan 0.000 0.427 309 Q N 1.238 121.015 119.800 -0.038 0.000 2.028 309 Q HA -0.277 4.062 4.340 -0.000 0.000 0.213 309 Q C 1.839 177.829 176.000 -0.018 0.000 1.017 309 Q CA 2.043 57.831 55.803 -0.025 0.000 0.875 309 Q CB -0.217 28.506 28.738 -0.025 0.000 0.962 309 Q HN 0.250 nan 8.270 nan 0.000 0.413 310 E N -0.215 119.972 120.200 -0.022 0.000 2.086 310 E HA -0.253 4.097 4.350 -0.000 0.000 0.200 310 E C 2.235 178.827 176.600 -0.013 0.000 1.012 310 E CA 1.365 57.757 56.400 -0.014 0.000 0.812 310 E CB -1.136 28.552 29.700 -0.020 0.000 0.743 310 E HN 0.593 nan 8.360 nan 0.000 0.453 311 C N 1.405 120.691 119.300 -0.024 0.000 2.442 311 C HA -0.134 4.326 4.460 -0.000 0.000 0.279 311 C C 2.448 177.422 174.990 -0.027 0.000 1.237 311 C CA 1.223 60.224 59.018 -0.030 0.000 1.722 311 C CB -0.867 26.860 27.740 -0.022 0.000 2.056 311 C HN 0.435 nan 8.230 nan 0.000 0.469 312 E N 0.520 120.711 120.200 -0.016 0.000 2.265 312 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 312 E C 2.309 178.915 176.600 0.010 0.000 0.996 312 E CA 1.006 57.402 56.400 -0.007 0.000 0.832 312 E CB -0.286 29.411 29.700 -0.005 0.000 0.756 312 E HN 0.777 nan 8.360 nan 0.000 0.491 313 A N 1.127 123.954 122.820 0.012 0.000 2.076 313 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 313 A C 2.073 179.689 177.584 0.054 0.000 1.160 313 A CA 1.012 53.065 52.037 0.026 0.000 0.653 313 A CB -0.495 18.518 19.000 0.021 0.000 0.801 313 A HN 0.167 nan 8.150 nan 0.000 0.455 314 L N -0.847 120.419 121.223 0.070 0.000 2.418 314 L HA -0.005 4.335 4.340 -0.000 0.000 0.218 314 L C 2.252 179.261 176.870 0.232 0.000 1.125 314 L CA -0.220 54.726 54.840 0.177 0.000 0.835 314 L CB -0.504 41.636 42.059 0.134 0.000 0.953 314 L HN 0.278 nan 8.230 nan 0.000 0.454 315 L N 0.346 121.636 121.223 0.111 0.000 2.026 315 L HA -0.347 3.993 4.340 -0.000 0.000 0.231 315 L C 2.620 179.547 176.870 0.095 0.000 1.095 315 L CA 2.141 57.034 54.840 0.089 0.000 0.810 315 L CB -0.743 41.340 42.059 0.039 0.000 0.909 315 L HN 0.117 nan 8.230 nan 0.000 0.444 316 V N -0.037 119.912 119.914 0.059 0.000 2.511 316 V HA -0.315 3.805 4.120 -0.000 0.000 0.257 316 V C 1.651 177.739 176.094 -0.009 0.000 1.088 316 V CA 2.361 64.675 62.300 0.023 0.000 1.098 316 V CB -0.366 31.465 31.823 0.013 0.000 0.674 316 V HN 0.513 nan 8.190 nan 0.000 0.470 317 D N -2.332 118.060 120.400 -0.014 0.000 2.431 317 D HA 0.158 4.798 4.640 -0.000 0.000 0.213 317 D C -0.114 175.902 176.300 -0.473 0.000 1.130 317 D CA 0.069 53.941 54.000 -0.213 0.000 0.834 317 D CB 0.513 41.163 40.800 -0.251 0.000 0.985 317 D HN 0.488 nan 8.370 nan 0.000 0.504 318 F N 1.142 121.068 119.950 -0.039 0.000 2.542 318 F HA 0.246 4.773 4.527 -0.000 0.000 0.323 318 F C -1.631 174.134 175.800 -0.058 0.000 1.411 318 F CA -1.675 56.293 58.000 -0.054 0.000 1.124 318 F CB 1.548 40.505 39.000 -0.071 0.000 1.331 318 F HN -0.174 nan 8.300 nan 0.000 0.560 319 P HA -0.161 nan 4.420 nan 0.000 0.217 319 P C 1.295 178.610 177.300 0.025 0.000 1.150 319 P CA 1.401 64.519 63.100 0.029 0.000 0.832 319 P CB 0.509 32.209 31.700 -0.001 0.000 0.787 320 E N -0.278 119.938 120.200 0.026 0.000 2.265 320 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 320 E C 1.187 177.771 176.600 -0.026 0.000 0.996 320 E CA 1.002 57.406 56.400 0.005 0.000 0.832 320 E CB -0.671 29.035 29.700 0.010 0.000 0.756 320 E HN 0.289 nan 8.360 nan 0.000 0.491 321 Q N -0.091 119.708 119.800 -0.001 0.000 2.242 321 Q HA 0.100 4.440 4.340 -0.000 0.000 0.246 321 Q C 0.877 176.788 176.000 -0.147 0.000 0.883 321 Q CA -0.066 55.660 55.803 -0.129 0.000 0.984 321 Q CB 0.527 29.155 28.738 -0.183 0.000 1.096 321 Q HN 0.131 nan 8.270 nan 0.000 0.452 322 E N 1.103 121.256 120.200 -0.078 0.000 2.086 322 E HA -0.267 4.083 4.350 -0.000 0.000 0.200 322 E C 1.376 177.919 176.600 -0.095 0.000 1.012 322 E CA 1.297 57.660 56.400 -0.063 0.000 0.812 322 E CB 0.320 30.001 29.700 -0.031 0.000 0.743 322 E HN 0.356 nan 8.360 nan 0.000 0.453 323 K N 0.242 120.566 120.400 -0.126 0.000 2.098 323 K HA -0.118 4.202 4.320 -0.000 0.000 0.203 323 K C 1.989 178.493 176.600 -0.160 0.000 1.051 323 K CA 0.958 57.188 56.287 -0.094 0.000 0.957 323 K CB 0.126 32.590 32.500 -0.060 0.000 0.738 323 K HN -0.102 nan 8.250 nan 0.000 0.447 324 E N 1.271 121.210 120.200 -0.435 0.000 2.086 324 E HA -0.221 4.129 4.350 -0.000 0.000 0.200 324 E C 1.910 178.281 176.600 -0.382 0.000 1.012 324 E CA 1.508 57.431 56.400 -0.795 0.000 0.812 324 E CB -0.247 28.654 29.700 -1.332 0.000 0.743 324 E HN 0.267 nan 8.360 nan 0.000 0.453 325 L N 0.176 121.231 121.223 -0.281 0.000 1.988 325 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 325 L C 2.518 179.353 176.870 -0.059 0.000 1.071 325 L CA 1.360 56.105 54.840 -0.158 0.000 0.744 325 L CB -0.429 41.549 42.059 -0.135 0.000 0.893 325 L HN 0.065 nan 8.230 nan 0.000 0.433 326 R N 0.073 120.553 120.500 -0.033 0.000 2.119 326 R HA -0.239 4.101 4.340 -0.000 0.000 0.246 326 R C 2.179 178.520 176.300 0.068 0.000 1.146 326 R CA 1.799 57.910 56.100 0.019 0.000 0.962 326 R CB -0.407 29.908 30.300 0.025 0.000 0.863 326 R HN 0.475 nan 8.270 nan 0.000 0.442 327 E N 0.526 120.768 120.200 0.070 0.000 2.072 327 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 327 E C 2.099 178.828 176.600 0.216 0.000 0.982 327 E CA 0.634 57.125 56.400 0.152 0.000 0.803 327 E CB 0.040 29.842 29.700 0.170 0.000 0.755 327 E HN 0.229 nan 8.360 nan 0.000 0.453 328 L N 0.195 121.472 121.223 0.088 0.000 1.970 328 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 328 L C 2.658 179.737 176.870 0.347 0.000 1.071 328 L CA 1.330 56.348 54.840 0.297 0.000 0.751 328 L CB -0.589 41.568 42.059 0.163 0.000 0.889 328 L HN 0.172 nan 8.230 nan 0.000 0.432 329 S N -0.368 115.427 115.700 0.159 0.000 2.359 329 S HA -0.300 4.169 4.470 -0.000 0.000 0.222 329 S C 2.123 176.784 174.600 0.101 0.000 1.038 329 S CA 1.675 59.926 58.200 0.086 0.000 1.051 329 S CB -0.297 62.925 63.200 0.037 0.000 0.944 329 S HN 0.453 nan 8.310 nan 0.000 0.433 330 A N 0.863 123.770 122.820 0.145 0.000 1.917 330 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 330 A C 1.135 178.845 177.584 0.210 0.000 1.182 330 A CA 1.405 53.531 52.037 0.148 0.000 0.633 330 A CB -1.274 17.825 19.000 0.164 0.000 0.819 330 A HN 0.816 nan 8.150 nan 0.000 0.448 334 G N 0.119 108.855 108.800 -0.106 0.000 2.494 334 G HA2 0.322 4.282 3.960 -0.000 0.000 0.216 334 G HA3 0.322 4.282 3.960 -0.000 0.000 0.216 334 G C 1.430 176.253 174.900 -0.128 0.000 1.140 334 G CA 1.503 46.554 45.100 -0.082 0.000 0.801 334 G HN 1.211 nan 8.290 nan 0.000 0.536 335 A N -0.005 122.657 122.820 -0.264 0.000 1.970 335 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 335 A C 2.412 179.901 177.584 -0.159 0.000 1.170 335 A CA 1.142 53.029 52.037 -0.250 0.000 0.645 335 A CB -0.228 18.444 19.000 -0.546 0.000 0.816 335 A HN 0.190 nan 8.150 nan 0.000 0.447 336 V N 0.850 120.641 119.914 -0.204 0.000 2.488 336 V HA -0.068 4.052 4.120 -0.000 0.000 0.246 336 V C 1.554 177.585 176.094 -0.106 0.000 1.046 336 V CA 1.509 63.723 62.300 -0.143 0.000 1.053 336 V CB -0.579 31.051 31.823 -0.321 0.000 0.679 336 V HN 0.704 nan 8.190 nan 0.000 0.458 337 R N 0.000 120.424 120.500 -0.127 0.000 2.786 337 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 337 R CA 0.000 56.052 56.100 -0.080 0.000 0.921 337 R CB 0.000 30.244 30.300 -0.094 0.000 0.687 337 R HN 0.000 nan 8.270 nan 0.000 0.535