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 2cv9_1_C DATA FIRST_RESID 2 DATA SEQUENCE RVLFIGDVXA EPGLRAVGLH LPDIRDRYDL VIANGENAAR GKGLDRRSYR DATA SEQUENCE LLREAGVDLV SLGNHAWDHK EVYALLESEP VVRPLNYPPG TPGKGFWRLE DATA SEQUENCE VGGESLLFVQ VXGRIFXDPL DDPFRALDRL LEEEKADYVL VEVHAEATSE DATA SEQUENCE KXALAHYLDG RASAVLGTHT HVPTLDATRL PKGTLYQTDV GXTGTYHSII DATA SEQUENCE GGEVETFLAR FLTGRPQPFR AAQGKARFHA TELVFEGGRP VAISPYVWEE DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.287 176.300 -0.022 0.000 0.893 2 R CA 0.000 56.047 56.100 -0.089 0.000 0.921 2 R CB 0.000 30.271 30.300 -0.048 0.000 0.687 3 V N 3.874 123.701 119.914 -0.146 0.000 2.555 3 V HA 0.526 4.647 4.120 0.001 0.000 0.302 3 V C -0.219 175.781 176.094 -0.157 0.000 1.038 3 V CA -0.912 61.312 62.300 -0.127 0.000 0.887 3 V CB 2.419 34.122 31.823 -0.201 0.000 0.991 3 V HN 0.522 nan 8.190 nan 0.000 0.434 4 L N 4.916 125.960 121.223 -0.299 0.000 2.319 4 L HA 0.588 4.928 4.340 0.001 0.000 0.281 4 L C -1.581 175.148 176.870 -0.235 0.000 1.005 4 L CA -0.390 54.155 54.840 -0.492 0.000 0.828 4 L CB 1.411 42.715 42.059 -1.258 0.000 1.227 4 L HN 0.722 nan 8.230 nan 0.000 0.415 5 F N 6.150 125.967 119.950 -0.223 0.000 2.427 5 F HA 0.529 5.056 4.527 0.000 0.000 0.346 5 F C -0.321 175.385 175.800 -0.155 0.000 1.120 5 F CA -0.597 57.316 58.000 -0.146 0.000 1.033 5 F CB 1.074 40.050 39.000 -0.041 0.000 1.126 5 F HN 0.300 nan 8.300 nan 0.000 0.462 6 I N 5.733 125.914 120.570 -0.647 0.000 2.331 6 I HA 0.341 4.511 4.170 0.001 0.000 0.292 6 I C 0.840 176.727 176.117 -0.382 0.000 0.998 6 I CA -0.665 60.354 61.300 -0.468 0.000 1.267 6 I CB 1.127 38.843 38.000 -0.474 0.000 1.386 6 I HN 0.753 nan 8.210 nan 0.000 0.476 7 G N 3.688 112.446 108.800 -0.071 0.000 2.483 7 G HA2 0.079 4.040 3.960 0.001 0.000 0.248 7 G HA3 0.079 4.040 3.960 0.001 0.000 0.248 7 G C -0.282 174.646 174.900 0.046 0.000 1.248 7 G CA -0.534 44.634 45.100 0.114 0.000 0.838 7 G HN 0.698 nan 8.290 nan 0.000 0.566 8 D N 0.426 120.912 120.400 0.142 0.000 7.216 8 D HA -0.112 4.528 4.640 0.001 0.000 0.166 8 D C 1.200 177.536 176.300 0.061 0.000 1.310 8 D CA 0.506 54.594 54.000 0.147 0.000 0.825 8 D CB -0.311 40.673 40.800 0.307 0.000 1.567 8 D HN 0.082 nan 8.370 nan 0.000 0.908 12 E N 0.947 121.174 120.200 0.045 0.000 2.038 12 E HA -0.032 4.318 4.350 0.001 0.000 0.195 12 E C -1.125 175.503 176.600 0.048 0.000 1.000 12 E CA 2.572 58.997 56.400 0.041 0.000 0.803 12 E CB -1.296 28.427 29.700 0.038 0.000 0.750 12 E HN 0.455 nan 8.360 nan 0.000 0.448 13 P HA -0.161 nan 4.420 nan 0.000 0.214 13 P C 1.510 178.863 177.300 0.089 0.000 1.163 13 P CA 2.066 65.205 63.100 0.066 0.000 0.889 13 P CB -0.277 31.451 31.700 0.047 0.000 0.790 14 G N -0.374 108.464 108.800 0.064 0.000 2.440 14 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 14 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 14 G C 1.492 176.445 174.900 0.089 0.000 1.154 14 G CA 0.570 45.717 45.100 0.078 0.000 0.767 14 G HN 0.184 nan 8.290 nan 0.000 0.552 15 L N 0.451 121.709 121.223 0.058 0.000 2.046 15 L HA 0.090 4.431 4.340 0.001 0.000 0.208 15 L C 2.777 179.684 176.870 0.062 0.000 1.077 15 L CA 1.847 56.713 54.840 0.043 0.000 0.747 15 L CB -0.512 41.559 42.059 0.021 0.000 0.896 15 L HN 0.214 nan 8.230 nan 0.000 0.432 16 R N -0.809 119.738 120.500 0.078 0.000 2.081 16 R HA -0.160 4.180 4.340 0.001 0.000 0.235 16 R C 2.149 178.533 176.300 0.140 0.000 1.131 16 R CA 1.352 57.506 56.100 0.090 0.000 0.960 16 R CB -0.337 30.019 30.300 0.094 0.000 0.856 16 R HN 0.448 nan 8.270 nan 0.000 0.436 17 A N 0.440 123.389 122.820 0.215 0.000 1.883 17 A HA -0.150 4.170 4.320 0.001 0.000 0.217 17 A C 2.300 180.039 177.584 0.258 0.000 1.186 17 A CA 1.889 54.139 52.037 0.354 0.000 0.624 17 A CB -0.730 18.546 19.000 0.461 0.000 0.822 17 A HN 0.234 nan 8.150 nan 0.000 0.444 18 V N -0.170 119.902 119.914 0.263 0.000 2.261 18 V HA -0.187 3.933 4.120 0.001 0.000 0.246 18 V C 2.846 178.941 176.094 0.002 0.000 1.047 18 V CA 2.115 64.541 62.300 0.211 0.000 1.015 18 V CB -1.559 30.351 31.823 0.146 0.000 0.642 18 V HN 0.619 nan 8.190 nan 0.000 0.446 19 G N -0.681 108.116 108.800 -0.004 0.000 2.432 19 G HA2 -0.195 3.765 3.960 0.001 0.000 0.219 19 G HA3 -0.195 3.765 3.960 0.001 0.000 0.219 19 G C 1.511 176.361 174.900 -0.084 0.000 1.135 19 G CA 0.768 45.837 45.100 -0.053 0.000 0.767 19 G HN 0.377 nan 8.290 nan 0.000 0.550 20 L N -0.760 120.426 121.223 -0.062 0.000 2.131 20 L HA 0.123 4.463 4.340 0.001 0.000 0.206 20 L C 2.324 179.036 176.870 -0.263 0.000 1.087 20 L CA 1.595 56.386 54.840 -0.081 0.000 0.767 20 L CB -0.471 41.625 42.059 0.061 0.000 0.917 20 L HN 0.419 nan 8.230 nan 0.000 0.441 21 H N -2.240 116.446 119.070 -0.640 0.000 2.460 21 H HA 0.023 4.580 4.556 0.001 0.000 0.297 21 H C 2.095 176.956 175.328 -0.778 0.000 1.023 21 H CA 0.362 55.777 56.048 -1.054 0.000 1.321 21 H CB 0.554 29.090 29.762 -2.044 0.000 1.455 21 H HN 0.153 nan 8.280 nan 0.000 0.539 22 L N 2.258 123.041 121.223 -0.732 0.000 2.089 22 L HA -0.092 4.248 4.340 0.001 0.000 0.213 22 L C -1.069 175.543 176.870 -0.430 0.000 1.079 22 L CA 1.692 56.197 54.840 -0.559 0.000 0.758 22 L CB -1.068 40.848 42.059 -0.239 0.000 0.891 22 L HN 0.201 nan 8.230 nan 0.000 0.433 23 P HA -0.110 nan 4.420 nan 0.000 0.218 23 P C 0.922 178.062 177.300 -0.266 0.000 1.149 23 P CA 1.424 64.376 63.100 -0.246 0.000 0.817 23 P CB -0.053 31.533 31.700 -0.190 0.000 0.785 24 D N -1.028 119.147 120.400 -0.374 0.000 2.269 24 D HA -0.078 4.562 4.640 0.001 0.000 0.208 24 D C 1.508 177.620 176.300 -0.313 0.000 0.963 24 D CA 0.918 54.726 54.000 -0.321 0.000 0.864 24 D CB -0.067 40.532 40.800 -0.334 0.000 0.936 24 D HN 0.254 nan 8.370 nan 0.000 0.505 25 I N -1.885 118.448 120.570 -0.396 0.000 4.240 25 I HA 0.246 4.417 4.170 0.001 0.000 0.331 25 I C 1.695 177.747 176.117 -0.108 0.000 1.381 25 I CA -0.021 61.130 61.300 -0.249 0.000 1.136 25 I CB -0.039 37.805 38.000 -0.260 0.000 1.137 25 I HN -0.277 nan 8.210 nan 0.000 0.411 26 R N 2.459 122.890 120.500 -0.114 0.000 2.133 26 R HA -0.230 4.110 4.340 0.001 0.000 0.247 26 R C 1.547 177.830 176.300 -0.029 0.000 1.151 26 R CA 2.268 58.362 56.100 -0.010 0.000 0.971 26 R CB -0.823 29.431 30.300 -0.077 0.000 0.866 26 R HN 0.338 nan 8.270 nan 0.000 0.447 27 D N -0.170 120.165 120.400 -0.108 0.000 2.203 27 D HA -0.186 4.455 4.640 0.001 0.000 0.199 27 D C 1.594 177.770 176.300 -0.207 0.000 0.997 27 D CA 1.384 55.305 54.000 -0.132 0.000 0.863 27 D CB -0.086 40.637 40.800 -0.129 0.000 0.928 27 D HN 0.385 nan 8.370 nan 0.000 0.458 28 R N -1.270 119.008 120.500 -0.370 0.000 2.307 28 R HA 0.032 4.372 4.340 0.001 0.000 0.199 28 R C 0.098 175.857 176.300 -0.902 0.000 1.000 28 R CA 0.328 56.028 56.100 -0.667 0.000 1.023 28 R CB 0.131 29.908 30.300 -0.871 0.000 0.908 28 R HN 0.266 nan 8.270 nan 0.000 0.473 29 Y N -0.960 119.274 120.300 -0.110 0.000 2.598 29 Y HA 0.250 4.801 4.550 0.001 0.000 0.340 29 Y C 0.794 176.645 175.900 -0.082 0.000 1.038 29 Y CA -1.249 56.788 58.100 -0.105 0.000 1.100 29 Y CB 1.293 39.679 38.460 -0.122 0.000 1.281 29 Y HN -0.242 nan 8.280 nan 0.000 0.488 30 D N 0.156 120.605 120.400 0.081 0.000 2.323 30 D HA 0.111 4.751 4.640 0.001 0.000 0.218 30 D C -0.310 176.018 176.300 0.047 0.000 0.973 30 D CA 1.192 55.217 54.000 0.042 0.000 0.890 30 D CB 0.699 41.519 40.800 0.035 0.000 1.011 30 D HN 0.083 nan 8.370 nan 0.000 0.499 31 L N 1.078 122.330 121.223 0.048 0.000 2.401 31 L HA 0.441 4.781 4.340 0.001 0.000 0.266 31 L C -0.466 176.374 176.870 -0.051 0.000 0.991 31 L CA -0.901 53.944 54.840 0.008 0.000 0.818 31 L CB 2.346 44.423 42.059 0.030 0.000 1.321 31 L HN -0.311 nan 8.230 nan 0.000 0.413 32 V N 4.098 123.947 119.914 -0.109 0.000 2.531 32 V HA 0.586 4.706 4.120 0.001 0.000 0.301 32 V C -0.208 175.738 176.094 -0.246 0.000 1.034 32 V CA -0.424 61.757 62.300 -0.199 0.000 0.865 32 V CB 2.452 34.158 31.823 -0.194 0.000 0.995 32 V HN 0.529 nan 8.190 nan 0.000 0.424 33 I N 3.675 124.051 120.570 -0.324 0.000 2.545 33 I HA 0.876 5.047 4.170 0.001 0.000 0.292 33 I C -0.072 175.622 176.117 -0.705 0.000 1.040 33 I CA -0.703 60.312 61.300 -0.474 0.000 1.068 33 I CB 2.167 39.880 38.000 -0.478 0.000 1.251 33 I HN 0.675 nan 8.210 nan 0.000 0.424 34 A N 4.157 126.586 122.820 -0.650 0.000 2.449 34 A HA 0.530 4.851 4.320 0.001 0.000 0.302 34 A C -0.986 176.294 177.584 -0.506 0.000 1.048 34 A CA -0.690 50.948 52.037 -0.664 0.000 0.708 34 A CB 1.451 20.215 19.000 -0.393 0.000 1.274 34 A HN 0.793 nan 8.150 nan 0.000 0.410 35 N N 1.241 119.676 118.700 -0.441 0.000 2.411 35 N HA 0.429 5.170 4.740 0.001 0.000 0.259 35 N C 0.785 176.233 175.510 -0.104 0.000 1.103 35 N CA 0.570 53.537 53.050 -0.139 0.000 0.954 35 N CB 0.796 39.333 38.487 0.083 0.000 1.085 35 N HN 0.671 nan 8.380 nan 0.000 0.485 36 G N 2.590 111.330 108.800 -0.099 0.000 3.774 36 G HA2 -0.036 3.924 3.960 0.001 0.000 0.287 36 G HA3 -0.036 3.924 3.960 0.001 0.000 0.287 36 G C 0.763 175.629 174.900 -0.058 0.000 1.030 36 G CA -0.329 44.727 45.100 -0.073 0.000 0.824 36 G HN 0.750 nan 8.290 nan 0.000 0.518 37 E N 1.210 121.375 120.200 -0.059 0.000 2.136 37 E HA -0.203 4.147 4.350 0.001 0.000 0.202 37 E C 1.109 177.716 176.600 0.013 0.000 1.019 37 E CA 1.265 57.625 56.400 -0.066 0.000 0.819 37 E CB 0.099 29.748 29.700 -0.086 0.000 0.739 37 E HN 0.376 nan 8.360 nan 0.000 0.458 38 N N -0.760 117.976 118.700 0.061 0.000 2.204 38 N HA 0.127 4.867 4.740 0.001 0.000 0.219 38 N C 0.880 176.419 175.510 0.049 0.000 1.151 38 N CA 0.591 53.693 53.050 0.088 0.000 0.867 38 N CB 0.944 39.515 38.487 0.141 0.000 1.043 38 N HN 0.120 nan 8.380 nan 0.000 0.516 39 A N 0.879 123.708 122.820 0.014 0.000 2.093 39 A HA -0.024 4.296 4.320 0.001 0.000 0.222 39 A C 1.280 178.865 177.584 0.002 0.000 1.162 39 A CA 1.343 53.380 52.037 -0.000 0.000 0.655 39 A CB -0.195 18.790 19.000 -0.025 0.000 0.805 39 A HN 0.276 nan 8.150 nan 0.000 0.461 40 A N -1.031 121.790 122.820 0.003 0.000 2.444 40 A HA 0.596 4.916 4.320 0.001 0.000 0.332 40 A C 0.787 178.421 177.584 0.084 0.000 1.430 40 A CA -0.509 51.529 52.037 0.003 0.000 0.975 40 A CB -0.099 18.838 19.000 -0.106 0.000 1.147 40 A HN 0.392 nan 8.150 nan 0.000 0.524 41 R N 0.847 121.402 120.500 0.092 0.000 3.946 41 R HA -0.256 4.084 4.340 0.001 0.000 0.329 41 R C 1.197 177.631 176.300 0.224 0.000 1.209 41 R CA 2.084 58.272 56.100 0.146 0.000 0.909 41 R CB -1.987 28.410 30.300 0.161 0.000 1.355 41 R HN 2.364 nan 8.270 nan 0.000 0.539 42 G N -2.113 106.785 108.800 0.164 0.000 2.175 42 G HA2 -0.277 3.683 3.960 0.001 0.000 0.244 42 G HA3 -0.277 3.683 3.960 0.001 0.000 0.244 42 G C -0.274 174.601 174.900 -0.042 0.000 0.982 42 G CA 0.257 45.459 45.100 0.170 0.000 0.641 42 G HN 0.144 nan 8.290 nan 0.000 0.527 43 K N 0.336 120.731 120.400 -0.008 0.000 2.652 43 K HA 0.606 4.926 4.320 0.001 0.000 0.249 43 K C 0.609 177.254 176.600 0.074 0.000 0.986 43 K CA 0.426 56.670 56.287 -0.072 0.000 0.867 43 K CB 1.098 33.482 32.500 -0.193 0.000 1.201 43 K HN 1.685 nan 8.250 nan 0.000 0.450 44 G N 1.989 110.834 108.800 0.076 0.000 2.796 44 G HA2 -0.249 3.712 3.960 0.001 0.000 0.226 44 G HA3 -0.249 3.712 3.960 0.001 0.000 0.226 44 G C -1.168 173.749 174.900 0.029 0.000 1.381 44 G CA -0.705 44.444 45.100 0.082 0.000 0.867 44 G HN 0.471 nan 8.290 nan 0.000 0.552 45 L N 1.241 122.430 121.223 -0.057 0.000 2.365 45 L HA 0.664 5.004 4.340 0.001 0.000 0.273 45 L C -0.549 176.172 176.870 -0.247 0.000 1.000 45 L CA -0.640 54.119 54.840 -0.135 0.000 0.819 45 L CB 1.736 43.711 42.059 -0.140 0.000 1.284 45 L HN 1.062 nan 8.230 nan 0.000 0.418 46 D N 1.870 122.088 120.400 -0.305 0.000 2.533 46 D HA 0.305 4.945 4.640 0.001 0.000 0.247 46 D C 0.610 176.832 176.300 -0.129 0.000 1.056 46 D CA -0.768 53.025 54.000 -0.346 0.000 1.054 46 D CB 1.216 41.643 40.800 -0.622 0.000 1.400 46 D HN 0.346 nan 8.370 nan 0.000 0.533 47 R N -0.415 120.040 120.500 -0.075 0.000 2.083 47 R HA -0.152 4.188 4.340 0.001 0.000 0.237 47 R C 2.229 178.552 176.300 0.037 0.000 1.137 47 R CA 1.717 57.831 56.100 0.023 0.000 0.951 47 R CB -0.103 30.210 30.300 0.022 0.000 0.851 47 R HN 0.555 nan 8.270 nan 0.000 0.434 48 R N -0.059 120.431 120.500 -0.018 0.000 2.103 48 R HA -0.155 4.185 4.340 0.001 0.000 0.234 48 R C 2.171 178.453 176.300 -0.030 0.000 1.132 48 R CA 2.421 58.508 56.100 -0.023 0.000 0.925 48 R CB -0.448 29.834 30.300 -0.031 0.000 0.842 48 R HN 0.170 nan 8.270 nan 0.000 0.430 49 S N -0.213 115.462 115.700 -0.041 0.000 2.365 49 S HA -0.243 4.227 4.470 0.001 0.000 0.225 49 S C 1.567 176.152 174.600 -0.024 0.000 1.039 49 S CA 1.643 59.820 58.200 -0.038 0.000 1.033 49 S CB -0.615 62.555 63.200 -0.051 0.000 0.887 49 S HN 0.543 nan 8.310 nan 0.000 0.447 50 Y N 2.601 122.832 120.300 -0.114 0.000 2.128 50 Y HA -0.199 4.351 4.550 0.000 0.000 0.284 50 Y C 2.436 178.275 175.900 -0.103 0.000 1.154 50 Y CA 1.512 59.540 58.100 -0.119 0.000 1.149 50 Y CB -0.107 38.277 38.460 -0.127 0.000 0.976 50 Y HN 0.039 nan 8.280 nan 0.000 0.505 51 R N 0.415 120.758 120.500 -0.261 0.000 2.091 51 R HA -0.179 4.162 4.340 0.001 0.000 0.238 51 R C 2.286 178.425 176.300 -0.269 0.000 1.136 51 R CA 1.709 57.617 56.100 -0.320 0.000 0.959 51 R CB -0.909 29.316 30.300 -0.125 0.000 0.856 51 R HN 0.462 nan 8.270 nan 0.000 0.437 52 L N 0.575 121.693 121.223 -0.176 0.000 2.046 52 L HA -0.178 4.163 4.340 0.001 0.000 0.208 52 L C 2.531 179.303 176.870 -0.163 0.000 1.077 52 L CA 1.111 55.870 54.840 -0.135 0.000 0.747 52 L CB -0.484 41.526 42.059 -0.082 0.000 0.896 52 L HN 0.137 nan 8.230 nan 0.000 0.432 53 L N -0.913 120.195 121.223 -0.192 0.000 2.017 53 L HA -0.201 4.139 4.340 0.001 0.000 0.208 53 L C 2.960 179.684 176.870 -0.243 0.000 1.073 53 L CA 1.095 55.821 54.840 -0.190 0.000 0.745 53 L CB -0.583 41.371 42.059 -0.175 0.000 0.894 53 L HN 0.219 nan 8.230 nan 0.000 0.432 54 R N 0.495 120.771 120.500 -0.372 0.000 2.083 54 R HA -0.173 4.167 4.340 0.001 0.000 0.237 54 R C 2.074 178.235 176.300 -0.231 0.000 1.137 54 R CA 1.511 57.401 56.100 -0.349 0.000 0.951 54 R CB -0.656 29.335 30.300 -0.514 0.000 0.851 54 R HN 0.511 nan 8.270 nan 0.000 0.434 55 E N 0.309 120.381 120.200 -0.213 0.000 2.265 55 E HA -0.095 4.255 4.350 0.001 0.000 0.196 55 E C 1.661 178.182 176.600 -0.131 0.000 0.996 55 E CA 1.002 57.312 56.400 -0.151 0.000 0.832 55 E CB -0.017 29.605 29.700 -0.131 0.000 0.756 55 E HN 0.325 nan 8.360 nan 0.000 0.491 56 A N 0.137 122.875 122.820 -0.137 0.000 2.169 56 A HA 0.247 4.568 4.320 0.001 0.000 0.212 56 A C 1.635 179.139 177.584 -0.133 0.000 1.153 56 A CA 0.857 52.819 52.037 -0.126 0.000 0.756 56 A CB 0.040 18.975 19.000 -0.109 0.000 0.813 56 A HN 0.317 nan 8.150 nan 0.000 0.471 57 G N -1.780 106.939 108.800 -0.136 0.000 2.147 57 G HA2 -0.066 3.894 3.960 0.001 0.000 0.128 57 G HA3 -0.066 3.894 3.960 0.001 0.000 0.128 57 G C -0.149 174.670 174.900 -0.135 0.000 1.026 57 G CA -0.132 44.893 45.100 -0.125 0.000 0.693 57 G HN 0.619 nan 8.290 nan 0.000 0.499 58 V N 1.350 121.167 119.914 -0.161 0.000 2.432 58 V HA 0.346 4.466 4.120 0.001 0.000 0.275 58 V C 0.861 176.844 176.094 -0.185 0.000 1.043 58 V CA -0.040 62.149 62.300 -0.185 0.000 0.925 58 V CB 1.560 33.261 31.823 -0.203 0.000 0.985 58 V HN 0.287 nan 8.190 nan 0.000 0.466 59 D N 3.017 123.310 120.400 -0.179 0.000 2.277 59 D HA 0.123 4.763 4.640 0.001 0.000 0.209 59 D C 0.120 176.282 176.300 -0.229 0.000 0.970 59 D CA 0.765 54.670 54.000 -0.159 0.000 0.874 59 D CB 0.984 41.720 40.800 -0.107 0.000 0.982 59 D HN 0.307 nan 8.370 nan 0.000 0.504 60 L N 0.657 121.701 121.223 -0.299 0.000 2.482 60 L HA 0.349 4.689 4.340 0.001 0.000 0.263 60 L C -1.632 175.005 176.870 -0.388 0.000 0.957 60 L CA -0.768 53.820 54.840 -0.420 0.000 0.836 60 L CB 2.479 44.236 42.059 -0.503 0.000 1.324 60 L HN -0.342 nan 8.230 nan 0.000 0.406 61 V N 3.139 122.857 119.914 -0.327 0.000 2.448 61 V HA 0.732 4.852 4.120 0.001 0.000 0.295 61 V C 0.005 175.980 176.094 -0.198 0.000 1.025 61 V CA -0.290 61.864 62.300 -0.244 0.000 0.859 61 V CB 1.666 33.418 31.823 -0.118 0.000 0.988 61 V HN 0.908 nan 8.190 nan 0.000 0.431 62 S N 5.002 120.618 115.700 -0.140 0.000 2.608 62 S HA 0.825 5.295 4.470 0.001 0.000 0.291 62 S C -0.411 174.141 174.600 -0.079 0.000 1.146 62 S CA -0.575 57.628 58.200 0.005 0.000 1.043 62 S CB 1.920 65.263 63.200 0.238 0.000 1.037 62 S HN 0.322 nan 8.310 nan 0.000 0.520 63 L N 1.437 122.588 121.223 -0.121 0.000 2.695 63 L HA 0.980 5.321 4.340 0.001 0.000 0.211 63 L C 1.374 178.028 176.870 -0.360 0.000 1.839 63 L CA 0.544 55.247 54.840 -0.228 0.000 2.948 63 L CB -0.449 41.424 42.059 -0.310 0.000 2.799 63 L HN 1.145 nan 8.230 nan 0.000 0.731 64 G N -1.120 107.457 108.800 -0.371 0.000 2.392 64 G HA2 0.038 3.998 3.960 0.001 0.000 0.260 64 G HA3 0.038 3.998 3.960 0.001 0.000 0.260 64 G C -0.595 174.209 174.900 -0.160 0.000 1.226 64 G CA 0.068 44.897 45.100 -0.451 0.000 0.913 64 G HN 0.591 nan 8.290 nan 0.000 0.483 65 N N -1.494 117.181 118.700 -0.042 0.000 2.467 65 N HA 0.059 4.800 4.740 0.001 0.000 0.184 65 N C 0.937 176.565 175.510 0.197 0.000 1.106 65 N CA 0.656 53.810 53.050 0.175 0.000 0.892 65 N CB -0.100 38.515 38.487 0.213 0.000 0.969 65 N HN 0.592 nan 8.380 nan 0.000 0.454 66 H N -0.852 118.173 119.070 -0.077 0.000 2.519 66 H HA 0.350 4.907 4.556 0.001 0.000 0.289 66 H C 1.301 176.457 175.328 -0.286 0.000 1.040 66 H CA -0.252 55.735 56.048 -0.102 0.000 1.165 66 H CB 0.568 30.310 29.762 -0.034 0.000 1.462 66 H HN 0.431 nan 8.280 nan 0.000 0.555 67 A N 0.374 122.878 122.820 -0.527 0.000 2.014 67 A HA -0.118 4.203 4.320 0.001 0.000 0.218 67 A C 0.996 178.052 177.584 -0.880 0.000 1.163 67 A CA 0.404 51.912 52.037 -0.882 0.000 0.652 67 A CB -0.537 17.631 19.000 -1.386 0.000 0.808 67 A HN 0.544 nan 8.150 nan 0.000 0.449 68 W N -0.718 120.557 121.300 -0.042 0.000 3.400 68 W HA 0.309 4.969 4.660 0.000 0.000 0.347 68 W C 1.018 177.540 176.519 0.004 0.000 1.218 68 W CA -0.096 57.221 57.345 -0.047 0.000 1.837 68 W CB -0.128 29.351 29.460 0.032 0.000 1.067 68 W HN 0.328 nan 8.180 nan 0.000 0.701 69 D N -0.384 120.046 120.400 0.052 0.000 2.183 69 D HA -0.130 4.510 4.640 0.001 0.000 0.203 69 D C 0.531 176.791 176.300 -0.067 0.000 0.969 69 D CA 1.185 55.186 54.000 0.002 0.000 0.842 69 D CB 0.162 40.939 40.800 -0.037 0.000 0.957 69 D HN 0.036 nan 8.370 nan 0.000 0.484 70 H N -0.808 118.260 119.070 -0.003 0.000 2.495 70 H HA 0.161 4.718 4.556 0.001 0.000 0.348 70 H C 0.782 176.149 175.328 0.066 0.000 1.113 70 H CA -0.430 55.628 56.048 0.016 0.000 1.195 70 H CB 2.148 31.894 29.762 -0.027 0.000 1.521 70 H HN -0.044 nan 8.280 nan 0.000 0.509 71 K N 1.840 122.383 120.400 0.239 0.000 2.288 71 K HA -0.096 4.224 4.320 0.001 0.000 0.201 71 K C 1.240 178.003 176.600 0.271 0.000 1.048 71 K CA 1.323 57.798 56.287 0.314 0.000 0.956 71 K CB 0.194 32.817 32.500 0.204 0.000 0.746 71 K HN 0.473 nan 8.250 nan 0.000 0.461 72 E N 0.545 120.858 120.200 0.188 0.000 2.516 72 E HA -0.073 4.278 4.350 0.001 0.000 0.199 72 E C 1.445 178.039 176.600 -0.011 0.000 1.069 72 E CA 0.639 57.091 56.400 0.088 0.000 0.876 72 E CB 0.148 29.876 29.700 0.047 0.000 0.843 72 E HN 0.394 nan 8.360 nan 0.000 0.530 73 V N -2.114 117.754 119.914 -0.076 0.000 2.535 73 V HA -0.153 3.968 4.120 0.001 0.000 0.246 73 V C 1.704 177.637 176.094 -0.268 0.000 1.045 73 V CA 0.928 63.079 62.300 -0.249 0.000 1.058 73 V CB -0.909 30.681 31.823 -0.388 0.000 0.689 73 V HN 0.195 nan 8.190 nan 0.000 0.461 74 Y N 1.992 122.315 120.300 0.038 0.000 2.165 74 Y HA -0.095 4.456 4.550 0.000 0.000 0.286 74 Y C 2.935 178.837 175.900 0.003 0.000 1.155 74 Y CA 2.262 60.389 58.100 0.044 0.000 1.164 74 Y CB -0.926 37.569 38.460 0.058 0.000 0.978 74 Y HN 0.340 nan 8.280 nan 0.000 0.513 75 A N 0.294 123.182 122.820 0.113 0.000 1.877 75 A HA -0.159 4.162 4.320 0.001 0.000 0.216 75 A C 2.225 179.786 177.584 -0.038 0.000 1.186 75 A CA 1.683 53.746 52.037 0.044 0.000 0.620 75 A CB -1.143 17.877 19.000 0.033 0.000 0.822 75 A HN 0.476 nan 8.150 nan 0.000 0.443 76 L N -1.224 119.923 121.223 -0.126 0.000 2.042 76 L HA -0.178 4.162 4.340 0.001 0.000 0.210 76 L C 2.381 179.112 176.870 -0.231 0.000 1.076 76 L CA 0.805 55.474 54.840 -0.284 0.000 0.749 76 L CB -0.555 41.238 42.059 -0.442 0.000 0.893 76 L HN 0.312 nan 8.230 nan 0.000 0.432 77 L N 0.160 121.294 121.223 -0.149 0.000 2.362 77 L HA -0.154 4.186 4.340 0.001 0.000 0.219 77 L C 2.346 179.225 176.870 0.014 0.000 1.134 77 L CA 1.612 56.404 54.840 -0.079 0.000 0.807 77 L CB -0.543 41.486 42.059 -0.051 0.000 0.927 77 L HN 0.461 nan 8.230 nan 0.000 0.447 78 E N -3.049 117.166 120.200 0.025 0.000 2.447 78 E HA 0.042 4.393 4.350 0.001 0.000 0.204 78 E C 1.332 177.970 176.600 0.064 0.000 0.977 78 E CA 0.778 57.213 56.400 0.059 0.000 0.950 78 E CB 0.040 29.779 29.700 0.065 0.000 0.975 78 E HN 0.353 nan 8.360 nan 0.000 0.496 79 S N -0.673 115.051 115.700 0.040 0.000 2.787 79 S HA 0.214 4.685 4.470 0.001 0.000 0.255 79 S C 0.089 174.728 174.600 0.065 0.000 1.051 79 S CA -0.651 57.587 58.200 0.063 0.000 1.124 79 S CB 0.338 63.562 63.200 0.040 0.000 1.104 79 S HN 0.017 nan 8.310 nan 0.000 0.623 80 E N 1.952 122.138 120.200 -0.023 0.000 2.281 80 E HA 0.440 4.791 4.350 0.001 0.000 0.262 80 E C -3.065 173.360 176.600 -0.292 0.000 0.933 80 E CA -2.601 53.725 56.400 -0.123 0.000 0.809 80 E CB 0.877 30.334 29.700 -0.405 0.000 1.242 80 E HN -0.065 nan 8.360 nan 0.000 0.418 81 P HA 0.099 nan 4.420 nan 0.000 0.244 81 P C -0.906 175.870 177.300 -0.873 0.000 1.723 81 P CA 0.264 62.637 63.100 -1.211 0.000 1.110 81 P CB -0.025 31.250 31.700 -0.708 0.000 1.972 82 V N 2.375 121.874 119.914 -0.692 0.000 2.686 82 V HA 0.444 4.564 4.120 0.001 0.000 0.306 82 V C 0.047 176.029 176.094 -0.186 0.000 1.065 82 V CA -0.941 61.126 62.300 -0.388 0.000 0.894 82 V CB 2.663 34.262 31.823 -0.373 0.000 1.004 82 V HN 0.134 nan 8.190 nan 0.000 0.424 83 V N 3.055 122.920 119.914 -0.082 0.000 2.823 83 V HA 0.979 5.099 4.120 0.001 0.000 0.312 83 V C -0.568 175.555 176.094 0.048 0.000 1.072 83 V CA -0.874 61.469 62.300 0.071 0.000 0.937 83 V CB 2.077 34.046 31.823 0.244 0.000 1.013 83 V HN 1.004 nan 8.190 nan 0.000 0.430 84 R N 3.228 123.774 120.500 0.076 0.000 2.875 84 R HA 0.842 5.182 4.340 0.001 0.000 0.251 84 R C -3.038 173.385 176.300 0.205 0.000 1.123 84 R CA -2.557 53.586 56.100 0.073 0.000 1.064 84 R CB -0.735 29.591 30.300 0.043 0.000 1.205 84 R HN 0.464 nan 8.270 nan 0.000 0.503 85 P HA -0.044 nan 4.420 nan 0.000 0.264 85 P C 0.280 177.760 177.300 0.299 0.000 1.193 85 P CA -0.064 63.191 63.100 0.258 0.000 0.763 85 P CB 0.415 32.237 31.700 0.205 0.000 0.810 86 L N 5.139 126.478 121.223 0.193 0.000 2.083 86 L HA -0.194 4.146 4.340 0.001 0.000 0.209 86 L C 1.777 178.747 176.870 0.166 0.000 1.083 86 L CA 1.947 56.904 54.840 0.196 0.000 0.752 86 L CB -1.263 40.883 42.059 0.145 0.000 0.899 86 L HN 0.287 nan 8.230 nan 0.000 0.433 87 N N -1.694 117.062 118.700 0.093 0.000 2.322 87 N HA -0.246 4.495 4.740 0.001 0.000 0.189 87 N C -0.083 175.430 175.510 0.005 0.000 1.012 87 N CA 0.625 53.682 53.050 0.012 0.000 0.880 87 N CB -0.299 38.144 38.487 -0.073 0.000 0.967 87 N HN 0.414 nan 8.380 nan 0.000 0.439 88 Y N 1.079 121.440 120.300 0.102 0.000 2.480 88 Y HA 0.133 4.684 4.550 0.000 0.000 0.338 88 Y C -1.559 174.381 175.900 0.067 0.000 1.220 88 Y CA -1.982 56.177 58.100 0.098 0.000 1.430 88 Y CB 0.129 38.675 38.460 0.144 0.000 1.311 88 Y HN 0.137 nan 8.280 nan 0.000 0.575 89 P HA 0.068 nan 4.420 nan 0.000 0.272 89 P C -2.651 174.715 177.300 0.110 0.000 1.230 89 P CA -1.313 61.866 63.100 0.131 0.000 0.788 89 P CB 0.179 31.938 31.700 0.099 0.000 0.949 90 P HA 0.061 nan 4.420 nan 0.000 0.264 90 P C 0.782 178.104 177.300 0.036 0.000 1.183 90 P CA 1.436 64.572 63.100 0.058 0.000 0.763 90 P CB -0.279 31.448 31.700 0.045 0.000 0.807 91 G N 1.166 109.983 108.800 0.029 0.000 2.255 91 G HA2 -0.158 3.802 3.960 0.001 0.000 0.239 91 G HA3 -0.158 3.802 3.960 0.001 0.000 0.239 91 G C -0.076 174.808 174.900 -0.027 0.000 1.083 91 G CA -0.343 44.758 45.100 0.002 0.000 0.826 91 G HN 0.600 nan 8.290 nan 0.000 0.493 92 T N 2.454 117.001 114.554 -0.012 0.000 2.809 92 T HA 0.603 4.953 4.350 0.001 0.000 0.284 92 T C -1.785 172.908 174.700 -0.012 0.000 0.992 92 T CA -0.743 61.309 62.100 -0.079 0.000 0.957 92 T CB 2.553 71.375 68.868 -0.077 0.000 0.942 92 T HN 0.276 nan 8.240 nan 0.000 0.439 93 P HA 0.345 nan 4.420 nan 0.000 0.265 93 P C 0.558 177.961 177.300 0.171 0.000 1.187 93 P CA 0.520 63.694 63.100 0.124 0.000 0.766 93 P CB 0.238 32.099 31.700 0.267 0.000 0.820 94 G N 2.047 110.929 108.800 0.136 0.000 2.660 94 G HA2 -0.114 3.846 3.960 0.001 0.000 0.247 94 G HA3 -0.114 3.846 3.960 0.001 0.000 0.247 94 G C -1.311 173.647 174.900 0.096 0.000 1.328 94 G CA -0.669 44.502 45.100 0.118 0.000 0.884 94 G HN 0.692 nan 8.290 nan 0.000 0.531 95 K N -0.570 119.883 120.400 0.088 0.000 2.328 95 K HA 0.642 4.962 4.320 0.001 0.000 0.246 95 K C 0.946 177.607 176.600 0.102 0.000 0.955 95 K CA -0.382 55.922 56.287 0.028 0.000 0.817 95 K CB 2.121 34.565 32.500 -0.095 0.000 1.208 95 K HN 0.900 nan 8.250 nan 0.000 0.432 96 G N 1.487 110.376 108.800 0.148 0.000 3.189 96 G HA2 0.229 4.189 3.960 0.001 0.000 0.225 96 G HA3 0.229 4.189 3.960 0.001 0.000 0.225 96 G C -0.311 174.800 174.900 0.352 0.000 1.159 96 G CA 0.104 45.359 45.100 0.259 0.000 0.763 96 G HN 0.513 nan 8.290 nan 0.000 0.549 97 F N -3.741 116.335 119.950 0.211 0.000 2.713 97 F HA 0.770 5.297 4.527 0.000 0.000 0.311 97 F C -2.165 173.865 175.800 0.383 0.000 1.141 97 F CA -2.569 55.576 58.000 0.241 0.000 0.939 97 F CB 1.280 40.354 39.000 0.124 0.000 1.325 97 F HN -0.052 nan 8.300 nan 0.000 0.453 98 W N 2.830 124.325 121.300 0.325 0.000 3.256 98 W HA 0.523 5.183 4.660 0.001 0.000 0.324 98 W C -1.849 174.855 176.519 0.308 0.000 1.196 98 W CA -0.832 56.624 57.345 0.185 0.000 1.206 98 W CB 2.528 32.077 29.460 0.148 0.000 1.385 98 W HN 0.959 nan 8.180 nan 0.000 0.522 99 R N 5.138 125.670 120.500 0.052 0.000 2.295 99 R HA 0.608 4.949 4.340 0.001 0.000 0.324 99 R C -1.322 175.115 176.300 0.227 0.000 0.968 99 R CA -0.349 55.855 56.100 0.174 0.000 0.837 99 R CB 0.901 31.246 30.300 0.076 0.000 1.133 99 R HN 0.525 nan 8.270 nan 0.000 0.450 100 L N 3.071 124.482 121.223 0.313 0.000 2.329 100 L HA 0.473 4.814 4.340 0.001 0.000 0.279 100 L C -0.380 176.611 176.870 0.202 0.000 1.014 100 L CA -0.900 54.114 54.840 0.289 0.000 0.814 100 L CB 2.007 44.238 42.059 0.288 0.000 1.257 100 L HN 0.595 nan 8.230 nan 0.000 0.424 101 E N 1.592 121.889 120.200 0.163 0.000 2.195 101 E HA 0.723 5.073 4.350 0.001 0.000 0.271 101 E C -1.452 175.219 176.600 0.118 0.000 0.923 101 E CA -0.391 56.086 56.400 0.128 0.000 0.790 101 E CB 2.188 31.946 29.700 0.096 0.000 1.155 101 E HN 0.208 nan 8.360 nan 0.000 0.402 102 V N 2.994 122.976 119.914 0.114 0.000 2.766 102 V HA 0.391 4.511 4.120 0.001 0.000 0.286 102 V C 0.103 176.253 176.094 0.093 0.000 1.237 102 V CA -0.149 62.210 62.300 0.098 0.000 0.934 102 V CB 1.765 33.649 31.823 0.103 0.000 1.068 102 V HN 0.863 nan 8.190 nan 0.000 0.451 103 G N 3.629 112.471 108.800 0.070 0.000 2.366 103 G HA2 0.107 4.068 3.960 0.001 0.000 0.299 103 G HA3 0.107 4.068 3.960 0.001 0.000 0.299 103 G C 1.332 176.273 174.900 0.069 0.000 1.020 103 G CA 1.243 46.381 45.100 0.063 0.000 1.026 103 G HN 2.566 nan 8.290 nan 0.000 0.512 104 G N -1.688 107.151 108.800 0.064 0.000 2.179 104 G HA2 -0.238 3.723 3.960 0.001 0.000 0.260 104 G HA3 -0.238 3.723 3.960 0.001 0.000 0.260 104 G C 0.124 175.064 174.900 0.068 0.000 0.977 104 G CA 1.065 46.199 45.100 0.058 0.000 0.641 104 G HN 1.063 nan 8.290 nan 0.000 0.533 105 E N 0.177 120.438 120.200 0.101 0.000 2.244 105 E HA 0.605 4.955 4.350 0.001 0.000 0.266 105 E C -0.094 176.593 176.600 0.145 0.000 0.914 105 E CA -0.171 56.304 56.400 0.124 0.000 0.794 105 E CB 1.857 31.691 29.700 0.224 0.000 1.210 105 E HN 0.431 nan 8.360 nan 0.000 0.414 106 S N 1.539 117.312 115.700 0.121 0.000 2.578 106 S HA 0.699 5.169 4.470 0.001 0.000 0.301 106 S C -0.892 173.837 174.600 0.215 0.000 1.091 106 S CA -0.899 57.387 58.200 0.142 0.000 1.032 106 S CB 1.372 64.620 63.200 0.080 0.000 1.064 106 S HN 0.339 nan 8.310 nan 0.000 0.508 107 L N 2.173 123.549 121.223 0.255 0.000 2.406 107 L HA 0.680 5.021 4.340 0.001 0.000 0.272 107 L C -1.554 175.496 176.870 0.300 0.000 0.980 107 L CA -0.878 54.157 54.840 0.325 0.000 0.831 107 L CB 1.730 44.023 42.059 0.390 0.000 1.253 107 L HN 0.838 nan 8.230 nan 0.000 0.406 108 L N 5.570 126.949 121.223 0.259 0.000 2.257 108 L HA 0.523 4.864 4.340 0.001 0.000 0.290 108 L C -1.324 175.741 176.870 0.326 0.000 1.044 108 L CA 0.081 55.078 54.840 0.262 0.000 0.810 108 L CB 0.726 42.860 42.059 0.125 0.000 1.193 108 L HN 0.624 nan 8.230 nan 0.000 0.425 109 F N 6.044 126.166 119.950 0.287 0.000 2.415 109 F HA 0.700 5.228 4.527 0.000 0.000 0.348 109 F C -0.905 175.067 175.800 0.286 0.000 1.119 109 F CA -0.464 57.699 58.000 0.272 0.000 1.069 109 F CB 1.220 40.391 39.000 0.284 0.000 1.124 109 F HN 0.230 nan 8.300 nan 0.000 0.472 110 V N 6.398 125.956 119.914 -0.594 0.000 2.588 110 V HA 0.333 4.453 4.120 0.001 0.000 0.304 110 V C -0.729 174.998 176.094 -0.612 0.000 1.042 110 V CA -0.783 61.294 62.300 -0.371 0.000 0.877 110 V CB 1.617 33.358 31.823 -0.136 0.000 0.996 110 V HN 0.785 nan 8.190 nan 0.000 0.425 111 Q N 3.123 122.746 119.800 -0.295 0.000 2.293 111 Q HA 0.790 5.130 4.340 0.001 0.000 0.261 111 Q C -1.650 174.330 176.000 -0.035 0.000 0.960 111 Q CA -0.219 55.499 55.803 -0.142 0.000 0.882 111 Q CB 2.234 31.017 28.738 0.075 0.000 1.275 111 Q HN 0.584 nan 8.270 nan 0.000 0.445 115 R N -0.763 119.712 120.500 -0.041 0.000 2.342 115 R HA 0.266 4.607 4.340 0.001 0.000 0.204 115 R C 1.237 177.500 176.300 -0.062 0.000 0.882 115 R CA -0.193 55.882 56.100 -0.042 0.000 1.041 115 R CB 0.796 31.079 30.300 -0.028 0.000 1.188 115 R HN 0.551 nan 8.270 nan 0.000 0.598 116 I N 1.868 122.360 120.570 -0.130 0.000 2.471 116 I HA 0.099 4.269 4.170 0.001 0.000 0.286 116 I C -0.860 175.122 176.117 -0.224 0.000 1.079 116 I CA -0.071 61.044 61.300 -0.309 0.000 1.398 116 I CB 0.164 37.838 38.000 -0.543 0.000 1.403 116 I HN 0.007 nan 8.210 nan 0.000 0.530 120 P HA 0.304 nan 4.420 nan 0.000 0.270 120 P C -0.799 176.489 177.300 -0.021 0.000 1.242 120 P CA -0.186 62.911 63.100 -0.005 0.000 0.768 120 P CB 0.682 32.386 31.700 0.006 0.000 0.820 121 L N 1.940 123.135 121.223 -0.046 0.000 2.242 121 L HA 0.530 4.871 4.340 0.001 0.000 0.261 121 L C 0.569 177.419 176.870 -0.034 0.000 1.052 121 L CA -1.042 53.757 54.840 -0.069 0.000 0.972 121 L CB 0.030 41.983 42.059 -0.176 0.000 1.562 121 L HN 0.136 nan 8.230 nan 0.000 0.509 122 D N 0.109 120.493 120.400 -0.026 0.000 2.357 122 D HA 0.056 4.696 4.640 0.001 0.000 0.242 122 D C -0.673 175.634 176.300 0.011 0.000 1.153 122 D CA -0.105 53.898 54.000 0.006 0.000 0.918 122 D CB 0.474 41.290 40.800 0.027 0.000 1.181 122 D HN 0.420 nan 8.370 nan 0.000 0.435 123 D N 1.071 121.491 120.400 0.034 0.000 2.389 123 D HA -0.016 4.624 4.640 0.001 0.000 0.263 123 D C -1.459 174.887 176.300 0.077 0.000 1.255 123 D CA -1.333 52.710 54.000 0.072 0.000 0.914 123 D CB 0.968 41.811 40.800 0.073 0.000 1.116 123 D HN 0.039 nan 8.370 nan 0.000 0.502 124 P HA -0.146 nan 4.420 nan 0.000 0.219 124 P C 1.453 178.714 177.300 -0.064 0.000 1.150 124 P CA 0.802 63.871 63.100 -0.052 0.000 0.814 124 P CB 0.048 31.650 31.700 -0.162 0.000 0.787 125 F N 1.152 121.088 119.950 -0.024 0.000 2.075 125 F HA -0.083 4.444 4.527 0.000 0.000 0.297 125 F C 2.775 178.653 175.800 0.130 0.000 1.113 125 F CA 1.601 59.596 58.000 -0.010 0.000 1.218 125 F CB -0.987 37.810 39.000 -0.337 0.000 0.984 125 F HN -0.224 nan 8.300 nan 0.000 0.472 126 R N -0.213 120.436 120.500 0.248 0.000 2.236 126 R HA 0.088 4.428 4.340 0.001 0.000 0.208 126 R C 2.213 178.584 176.300 0.118 0.000 1.036 126 R CA 0.664 56.873 56.100 0.182 0.000 1.001 126 R CB -0.449 29.919 30.300 0.114 0.000 0.896 126 R HN 0.264 nan 8.270 nan 0.000 0.464 127 A N 1.068 123.943 122.820 0.092 0.000 1.929 127 A HA -0.081 4.239 4.320 0.001 0.000 0.216 127 A C 1.922 179.529 177.584 0.039 0.000 1.176 127 A CA 0.843 52.915 52.037 0.058 0.000 0.628 127 A CB -0.158 18.871 19.000 0.048 0.000 0.816 127 A HN 0.081 nan 8.150 nan 0.000 0.444 128 L N 0.207 121.458 121.223 0.046 0.000 2.141 128 L HA -0.118 4.222 4.340 0.001 0.000 0.209 128 L C 1.726 178.601 176.870 0.007 0.000 1.094 128 L CA 1.727 56.574 54.840 0.011 0.000 0.763 128 L CB -1.363 40.702 42.059 0.010 0.000 0.908 128 L HN 0.371 nan 8.230 nan 0.000 0.437 129 D N -0.384 120.056 120.400 0.066 0.000 2.097 129 D HA -0.158 4.483 4.640 0.001 0.000 0.197 129 D C 2.286 178.584 176.300 -0.003 0.000 0.984 129 D CA 0.937 54.958 54.000 0.034 0.000 0.826 129 D CB 0.045 40.905 40.800 0.100 0.000 0.973 129 D HN 0.260 nan 8.370 nan 0.000 0.460 130 R N 0.262 120.767 120.500 0.010 0.000 2.091 130 R HA -0.072 4.269 4.340 0.001 0.000 0.238 130 R C 2.290 178.558 176.300 -0.054 0.000 1.136 130 R CA 0.472 56.565 56.100 -0.011 0.000 0.959 130 R CB -0.283 30.022 30.300 0.008 0.000 0.856 130 R HN 0.173 nan 8.270 nan 0.000 0.437 131 L N 0.604 121.780 121.223 -0.079 0.000 2.027 131 L HA -0.129 4.211 4.340 0.001 0.000 0.206 131 L C 1.820 178.578 176.870 -0.187 0.000 1.074 131 L CA 1.653 56.389 54.840 -0.173 0.000 0.745 131 L CB -0.479 41.468 42.059 -0.187 0.000 0.898 131 L HN 0.206 nan 8.230 nan 0.000 0.433 132 L N 0.083 121.227 121.223 -0.131 0.000 2.275 132 L HA -0.121 4.219 4.340 0.001 0.000 0.215 132 L C 2.607 179.415 176.870 -0.103 0.000 1.119 132 L CA 1.158 55.926 54.840 -0.121 0.000 0.790 132 L CB -1.068 40.930 42.059 -0.103 0.000 0.919 132 L HN 0.274 nan 8.230 nan 0.000 0.443 133 E N 0.183 120.331 120.200 -0.087 0.000 2.028 133 E HA -0.209 4.142 4.350 0.001 0.000 0.191 133 E C 1.974 178.530 176.600 -0.074 0.000 0.988 133 E CA 1.494 57.853 56.400 -0.067 0.000 0.799 133 E CB 0.159 29.831 29.700 -0.047 0.000 0.755 133 E HN 0.735 nan 8.360 nan 0.000 0.447 134 E N 0.152 120.298 120.200 -0.091 0.000 2.299 134 E HA -0.014 4.337 4.350 0.001 0.000 0.193 134 E C 0.033 176.566 176.600 -0.113 0.000 0.998 134 E CA 0.419 56.766 56.400 -0.088 0.000 0.851 134 E CB 0.169 29.821 29.700 -0.080 0.000 0.795 134 E HN -0.054 nan 8.360 nan 0.000 0.492 135 E N 1.650 121.752 120.200 -0.164 0.000 2.155 135 E HA 0.304 4.654 4.350 0.001 0.000 0.264 135 E C -0.721 175.807 176.600 -0.120 0.000 0.886 135 E CA -0.588 55.709 56.400 -0.171 0.000 0.752 135 E CB 1.682 31.179 29.700 -0.339 0.000 1.133 135 E HN 0.027 nan 8.360 nan 0.000 0.414 136 K N 1.026 121.379 120.400 -0.079 0.000 2.259 136 K HA 0.864 5.184 4.320 0.001 0.000 0.249 136 K C -0.496 176.076 176.600 -0.047 0.000 0.942 136 K CA -0.930 55.316 56.287 -0.067 0.000 0.816 136 K CB 2.526 34.989 32.500 -0.062 0.000 1.155 136 K HN 0.562 nan 8.250 nan 0.000 0.428 137 A N 0.989 123.776 122.820 -0.055 0.000 2.588 137 A HA 0.377 4.697 4.320 0.001 0.000 0.290 137 A C -0.087 177.422 177.584 -0.124 0.000 1.136 137 A CA -0.554 51.459 52.037 -0.042 0.000 0.681 137 A CB 0.882 19.897 19.000 0.026 0.000 1.282 137 A HN 0.644 nan 8.150 nan 0.000 0.421 138 D N -0.891 119.396 120.400 -0.188 0.000 2.149 138 D HA 0.032 4.672 4.640 0.001 0.000 0.201 138 D C -0.501 175.347 176.300 -0.754 0.000 0.972 138 D CA 2.068 55.770 54.000 -0.496 0.000 0.835 138 D CB 0.049 40.481 40.800 -0.613 0.000 0.966 138 D HN 0.463 nan 8.370 nan 0.000 0.476 139 Y N -0.770 119.515 120.300 -0.025 0.000 2.545 139 Y HA 0.442 4.992 4.550 0.000 0.000 0.348 139 Y C -0.215 175.652 175.900 -0.055 0.000 1.002 139 Y CA -1.078 56.943 58.100 -0.130 0.000 1.039 139 Y CB 2.148 40.517 38.460 -0.151 0.000 1.271 139 Y HN -0.419 nan 8.280 nan 0.000 0.467 140 V N 3.598 123.537 119.914 0.042 0.000 2.525 140 V HA 0.439 4.559 4.120 0.001 0.000 0.299 140 V C -1.329 174.806 176.094 0.069 0.000 1.034 140 V CA -0.657 61.675 62.300 0.055 0.000 0.863 140 V CB 1.846 33.657 31.823 -0.019 0.000 0.999 140 V HN 0.540 nan 8.190 nan 0.000 0.423 141 L N 6.555 127.877 121.223 0.166 0.000 2.333 141 L HA 0.794 5.134 4.340 0.001 0.000 0.280 141 L C -0.694 176.164 176.870 -0.019 0.000 1.004 141 L CA -0.142 54.809 54.840 0.185 0.000 0.820 141 L CB 1.864 44.178 42.059 0.424 0.000 1.247 141 L HN 0.445 nan 8.230 nan 0.000 0.416 142 V N 4.937 124.801 119.914 -0.083 0.000 2.409 142 V HA 0.440 4.561 4.120 0.001 0.000 0.291 142 V C -0.176 175.795 176.094 -0.205 0.000 1.020 142 V CA -0.678 61.504 62.300 -0.197 0.000 0.848 142 V CB 1.482 33.232 31.823 -0.121 0.000 0.990 142 V HN 0.808 nan 8.190 nan 0.000 0.430 143 E N 4.083 124.108 120.200 -0.292 0.000 2.174 143 E HA 0.493 4.843 4.350 0.001 0.000 0.282 143 E C -1.433 175.122 176.600 -0.075 0.000 0.992 143 E CA -0.476 55.827 56.400 -0.161 0.000 0.803 143 E CB 1.816 31.541 29.700 0.041 0.000 1.090 143 E HN 0.474 nan 8.360 nan 0.000 0.396 144 V N 5.984 125.874 119.914 -0.040 0.000 2.294 144 V HA 0.089 4.210 4.120 0.001 0.000 0.272 144 V C -0.094 176.035 176.094 0.057 0.000 1.027 144 V CA -0.580 61.717 62.300 -0.006 0.000 0.823 144 V CB 0.836 32.650 31.823 -0.014 0.000 1.030 144 V HN 0.675 nan 8.190 nan 0.000 0.457 145 H N 4.885 123.935 119.070 -0.032 0.000 2.820 145 H HA 0.694 5.250 4.556 0.000 0.000 0.278 145 H C -0.126 175.150 175.328 -0.087 0.000 1.142 145 H CA 0.326 56.354 56.048 -0.033 0.000 1.346 145 H CB 1.028 30.758 29.762 -0.054 0.000 1.438 145 H HN 0.795 nan 8.280 nan 0.000 0.473 146 A N 4.085 126.810 122.820 -0.158 0.000 2.599 146 A HA 0.208 4.528 4.320 0.001 0.000 0.290 146 A C 0.295 177.923 177.584 0.074 0.000 1.101 146 A CA -0.671 51.322 52.037 -0.074 0.000 0.674 146 A CB 1.535 20.524 19.000 -0.019 0.000 1.277 146 A HN 0.608 nan 8.150 nan 0.000 0.419 147 E N -0.082 120.208 120.200 0.149 0.000 2.201 147 E HA 0.231 4.581 4.350 0.001 0.000 0.193 147 E C 0.878 177.599 176.600 0.202 0.000 0.957 147 E CA 1.052 57.583 56.400 0.217 0.000 0.858 147 E CB 0.424 30.314 29.700 0.318 0.000 0.816 147 E HN 0.825 nan 8.360 nan 0.000 0.475 148 A N 1.416 124.345 122.820 0.181 0.000 2.354 148 A HA 0.239 4.559 4.320 0.001 0.000 0.281 148 A C 1.350 178.997 177.584 0.106 0.000 1.174 148 A CA 0.304 52.432 52.037 0.151 0.000 0.828 148 A CB 0.201 19.214 19.000 0.021 0.000 1.099 148 A HN 0.240 nan 8.150 nan 0.000 0.516 149 T N 0.710 115.335 114.554 0.119 0.000 2.684 149 T HA -0.239 4.111 4.350 0.001 0.000 0.267 149 T C 2.040 176.805 174.700 0.109 0.000 1.036 149 T CA 2.033 64.205 62.100 0.120 0.000 1.148 149 T CB -0.846 68.091 68.868 0.116 0.000 0.863 149 T HN 1.148 nan 8.240 nan 0.000 0.436 150 S N 1.753 117.502 115.700 0.082 0.000 2.383 150 S HA -0.219 4.252 4.470 0.001 0.000 0.229 150 S C 2.126 176.767 174.600 0.070 0.000 1.030 150 S CA 1.483 59.719 58.200 0.060 0.000 1.002 150 S CB -0.687 62.533 63.200 0.033 0.000 0.829 150 S HN 0.744 nan 8.310 nan 0.000 0.467 151 E N 1.459 121.698 120.200 0.064 0.000 2.106 151 E HA -0.046 4.305 4.350 0.001 0.000 0.192 151 E C 0.742 177.394 176.600 0.086 0.000 0.984 151 E CA 0.573 57.026 56.400 0.088 0.000 0.806 151 E CB 0.017 29.741 29.700 0.040 0.000 0.750 151 E HN 0.574 nan 8.360 nan 0.000 0.458 155 L N 0.767 122.090 121.223 0.166 0.000 2.012 155 L HA -0.139 4.201 4.340 0.001 0.000 0.210 155 L C 3.049 179.946 176.870 0.044 0.000 1.073 155 L CA 1.696 56.492 54.840 -0.074 0.000 0.748 155 L CB -0.493 41.387 42.059 -0.298 0.000 0.891 155 L HN 0.571 nan 8.230 nan 0.000 0.431 156 A N -0.858 121.947 122.820 -0.025 0.000 1.883 156 A HA -0.254 4.067 4.320 0.001 0.000 0.217 156 A C 2.163 179.665 177.584 -0.136 0.000 1.186 156 A CA 1.627 53.588 52.037 -0.126 0.000 0.624 156 A CB -0.880 17.851 19.000 -0.449 0.000 0.822 156 A HN 0.442 nan 8.150 nan 0.000 0.444 157 H N -2.908 116.142 119.070 -0.033 0.000 2.387 157 H HA -0.142 4.414 4.556 0.000 0.000 0.299 157 H C 1.949 177.341 175.328 0.108 0.000 1.090 157 H CA 1.977 58.034 56.048 0.016 0.000 1.332 157 H CB -0.349 29.420 29.762 0.011 0.000 1.386 157 H HN 0.666 nan 8.280 nan 0.000 0.516 158 Y N 0.841 121.239 120.300 0.164 0.000 2.421 158 Y HA -0.111 4.440 4.550 0.001 0.000 0.292 158 Y C 1.558 177.501 175.900 0.072 0.000 1.136 158 Y CA 0.655 58.850 58.100 0.157 0.000 1.255 158 Y CB -0.005 38.650 38.460 0.324 0.000 0.991 158 Y HN 0.005 nan 8.280 nan 0.000 0.552 159 L N -0.245 120.984 121.223 0.010 0.000 2.616 159 L HA 0.128 4.468 4.340 0.001 0.000 0.229 159 L C 0.049 176.868 176.870 -0.086 0.000 1.110 159 L CA 0.142 54.925 54.840 -0.095 0.000 0.884 159 L CB -0.562 41.464 42.059 -0.055 0.000 1.115 159 L HN -0.052 nan 8.230 nan 0.000 0.481 160 D N 0.362 120.725 120.400 -0.062 0.000 2.531 160 D HA 0.294 4.935 4.640 0.001 0.000 0.239 160 D C 1.497 177.763 176.300 -0.058 0.000 1.144 160 D CA 1.523 55.486 54.000 -0.062 0.000 0.869 160 D CB 0.587 41.360 40.800 -0.045 0.000 1.160 160 D HN 0.328 nan 8.370 nan 0.000 0.484 161 G N 4.062 112.830 108.800 -0.053 0.000 2.225 161 G HA2 -0.349 3.611 3.960 0.001 0.000 0.254 161 G HA3 -0.349 3.611 3.960 0.001 0.000 0.254 161 G C 1.350 176.209 174.900 -0.068 0.000 0.988 161 G CA 0.613 45.682 45.100 -0.051 0.000 0.625 161 G HN 0.575 nan 8.290 nan 0.000 0.527 162 R N 0.242 120.691 120.500 -0.085 0.000 2.121 162 R HA 0.564 4.904 4.340 0.001 0.000 0.206 162 R C 1.585 177.831 176.300 -0.090 0.000 1.094 162 R CA 0.756 56.798 56.100 -0.097 0.000 1.055 162 R CB 0.137 30.360 30.300 -0.127 0.000 0.964 162 R HN 0.536 nan 8.270 nan 0.000 0.473 163 A N 0.297 123.068 122.820 -0.083 0.000 2.302 163 A HA 0.316 4.636 4.320 0.001 0.000 0.285 163 A C 0.760 178.294 177.584 -0.084 0.000 1.105 163 A CA -0.380 51.613 52.037 -0.073 0.000 0.816 163 A CB 1.138 20.105 19.000 -0.055 0.000 1.067 163 A HN 0.170 nan 8.150 nan 0.000 0.489 164 S N 0.077 115.700 115.700 -0.127 0.000 2.406 164 S HA 0.373 4.844 4.470 0.001 0.000 0.224 164 S C 0.779 175.320 174.600 -0.098 0.000 1.030 164 S CA 0.995 59.045 58.200 -0.251 0.000 0.958 164 S CB -0.072 62.694 63.200 -0.724 0.000 0.811 164 S HN 1.408 nan 8.310 nan 0.000 0.489 165 A N 0.488 123.315 122.820 0.011 0.000 2.594 165 A HA 0.677 4.997 4.320 0.001 0.000 0.295 165 A C -1.586 176.037 177.584 0.064 0.000 1.071 165 A CA -0.561 51.540 52.037 0.107 0.000 0.685 165 A CB 1.384 20.538 19.000 0.257 0.000 1.285 165 A HN 0.065 nan 8.150 nan 0.000 0.405 166 V N 2.053 122.007 119.914 0.066 0.000 2.482 166 V HA 0.497 4.618 4.120 0.001 0.000 0.295 166 V C -0.719 175.352 176.094 -0.037 0.000 1.026 166 V CA -0.166 62.163 62.300 0.047 0.000 0.856 166 V CB 1.099 33.013 31.823 0.152 0.000 1.001 166 V HN 0.718 nan 8.190 nan 0.000 0.424 167 L N 4.050 125.176 121.223 -0.163 0.000 2.341 167 L HA 0.831 5.171 4.340 0.001 0.000 0.278 167 L C 0.750 177.477 176.870 -0.239 0.000 1.005 167 L CA -0.423 54.242 54.840 -0.293 0.000 0.818 167 L CB 2.046 43.826 42.059 -0.466 0.000 1.259 167 L HN 0.733 nan 8.230 nan 0.000 0.418 168 G N 0.792 109.471 108.800 -0.202 0.000 2.412 168 G HA2 0.702 4.663 3.960 0.001 0.000 0.318 168 G HA3 0.702 4.663 3.960 0.001 0.000 0.318 168 G C -0.374 174.503 174.900 -0.039 0.000 1.146 168 G CA -0.072 44.978 45.100 -0.084 0.000 0.882 168 G HN 0.602 nan 8.290 nan 0.000 0.501 169 T N -3.042 111.531 114.554 0.032 0.000 2.681 169 T HA 0.512 4.862 4.350 0.001 0.000 0.296 169 T C 0.161 174.839 174.700 -0.035 0.000 1.157 169 T CA 0.193 62.353 62.100 0.100 0.000 1.025 169 T CB 1.745 70.811 68.868 0.330 0.000 1.441 169 T HN 1.558 nan 8.240 nan 0.000 0.504 170 H N -2.002 116.914 119.070 -0.257 0.000 4.370 170 H HA -0.173 4.383 4.556 0.000 0.000 0.114 170 H C 1.035 176.019 175.328 -0.574 0.000 0.638 170 H CA 2.162 57.846 56.048 -0.607 0.000 1.203 170 H CB -1.564 27.531 29.762 -1.112 0.000 0.562 170 H HN 0.698 nan 8.280 nan 0.000 0.652 171 T N -0.250 114.071 114.554 -0.387 0.000 3.148 171 T HA 0.037 4.388 4.350 0.001 0.000 0.253 171 T C 0.508 175.095 174.700 -0.188 0.000 1.134 171 T CA 0.974 62.889 62.100 -0.308 0.000 1.051 171 T CB -0.345 68.459 68.868 -0.105 0.000 0.959 171 T HN 0.752 nan 8.240 nan 0.000 0.525 172 H N -1.441 117.576 119.070 -0.088 0.000 3.141 172 H HA -0.126 4.430 4.556 0.000 0.000 0.260 172 H C -0.568 174.764 175.328 0.008 0.000 1.132 172 H CA 0.161 56.173 56.048 -0.060 0.000 1.171 172 H CB -1.458 28.237 29.762 -0.111 0.000 1.274 172 H HN 0.169 nan 8.280 nan 0.000 0.329 173 V N 1.327 121.306 119.914 0.108 0.000 2.567 173 V HA 0.260 4.380 4.120 0.001 0.000 0.298 173 V C -2.033 174.046 176.094 -0.024 0.000 1.047 173 V CA -1.504 60.847 62.300 0.086 0.000 0.880 173 V CB 2.210 34.075 31.823 0.070 0.000 1.009 173 V HN -0.028 nan 8.190 nan 0.000 0.429 174 P HA 0.128 nan 4.420 nan 0.000 0.265 174 P C -0.161 177.079 177.300 -0.100 0.000 1.193 174 P CA 0.352 63.348 63.100 -0.174 0.000 0.765 174 P CB 0.772 32.224 31.700 -0.414 0.000 0.823 175 T N 0.393 114.908 114.554 -0.064 0.000 2.895 175 T HA 0.338 4.688 4.350 0.001 0.000 0.283 175 T C 0.339 175.022 174.700 -0.028 0.000 1.014 175 T CA -0.885 61.191 62.100 -0.040 0.000 1.037 175 T CB 1.081 69.929 68.868 -0.033 0.000 1.006 175 T HN 0.198 nan 8.240 nan 0.000 0.468 176 L N 2.861 124.078 121.223 -0.011 0.000 3.035 176 L HA 0.354 4.694 4.340 0.001 0.000 0.232 176 L C 0.253 177.133 176.870 0.017 0.000 1.341 176 L CA 0.088 54.930 54.840 0.003 0.000 1.177 176 L CB -0.611 41.450 42.059 0.004 0.000 1.555 176 L HN 0.861 nan 8.230 nan 0.000 0.473 177 D N -0.894 119.514 120.400 0.013 0.000 2.599 177 D HA 0.185 4.826 4.640 0.001 0.000 0.249 177 D C 0.516 176.839 176.300 0.038 0.000 1.313 177 D CA -0.131 53.895 54.000 0.042 0.000 0.815 177 D CB 0.114 40.963 40.800 0.080 0.000 1.077 177 D HN 0.210 nan 8.370 nan 0.000 0.492 178 A N 0.920 123.743 122.820 0.006 0.000 2.566 178 A HA 0.468 4.788 4.320 0.001 0.000 0.245 178 A C 0.777 178.394 177.584 0.055 0.000 1.056 178 A CA 0.825 52.864 52.037 0.004 0.000 0.757 178 A CB -0.277 18.729 19.000 0.011 0.000 0.979 178 A HN 0.529 nan 8.150 nan 0.000 0.508 179 T N -0.035 114.572 114.554 0.089 0.000 2.648 179 T HA 0.714 5.064 4.350 0.001 0.000 0.304 179 T C -0.580 174.184 174.700 0.107 0.000 1.312 179 T CA -0.786 61.374 62.100 0.101 0.000 1.023 179 T CB 1.037 69.974 68.868 0.116 0.000 1.612 179 T HN 1.174 nan 8.240 nan 0.000 0.487 180 R N 0.691 121.241 120.500 0.084 0.000 2.561 180 R HA 0.738 5.078 4.340 0.001 0.000 0.297 180 R C -0.918 175.407 176.300 0.041 0.000 0.969 180 R CA -0.976 55.164 56.100 0.067 0.000 0.879 180 R CB 1.164 31.500 30.300 0.060 0.000 1.178 180 R HN 0.654 nan 8.270 nan 0.000 0.445 181 L N 4.260 125.485 121.223 0.003 0.000 2.475 181 L HA 0.305 4.646 4.340 0.001 0.000 0.253 181 L C -1.421 175.452 176.870 0.005 0.000 1.198 181 L CA -2.274 52.543 54.840 -0.038 0.000 0.814 181 L CB 0.667 42.625 42.059 -0.169 0.000 1.134 181 L HN 0.517 nan 8.230 nan 0.000 0.478 182 P HA -0.196 nan 4.420 nan 0.000 0.216 182 P C 0.657 177.969 177.300 0.020 0.000 1.157 182 P CA 1.578 64.699 63.100 0.035 0.000 0.880 182 P CB 0.108 31.841 31.700 0.054 0.000 0.791 183 K N -1.754 118.652 120.400 0.010 0.000 2.551 183 K HA 0.187 4.507 4.320 0.001 0.000 0.192 183 K C 1.229 177.828 176.600 -0.002 0.000 1.027 183 K CA 0.738 57.025 56.287 0.001 0.000 1.059 183 K CB -0.420 32.074 32.500 -0.009 0.000 0.831 183 K HN 0.232 nan 8.250 nan 0.000 0.508 184 G N 0.957 109.760 108.800 0.004 0.000 2.194 184 G HA2 -0.227 3.733 3.960 0.001 0.000 0.236 184 G HA3 -0.227 3.733 3.960 0.001 0.000 0.236 184 G C 0.260 175.168 174.900 0.013 0.000 0.987 184 G CA -0.070 45.038 45.100 0.013 0.000 0.635 184 G HN 0.285 nan 8.290 nan 0.000 0.520 185 T N 2.710 117.260 114.554 -0.005 0.000 2.870 185 T HA 0.490 4.841 4.350 0.001 0.000 0.300 185 T C 1.013 175.740 174.700 0.045 0.000 0.989 185 T CA -0.006 62.096 62.100 0.003 0.000 1.139 185 T CB 0.892 69.746 68.868 -0.024 0.000 0.920 185 T HN 0.367 nan 8.240 nan 0.000 0.537 186 L N 3.625 124.898 121.223 0.083 0.000 2.439 186 L HA 0.460 4.800 4.340 0.001 0.000 0.269 186 L C -0.310 176.650 176.870 0.150 0.000 1.179 186 L CA -0.560 54.349 54.840 0.116 0.000 0.828 186 L CB 0.188 42.332 42.059 0.142 0.000 1.106 186 L HN 0.665 nan 8.230 nan 0.000 0.467 187 Y N 2.135 122.432 120.300 -0.005 0.000 2.544 187 Y HA 0.418 4.968 4.550 0.000 0.000 0.342 187 Y C -1.050 174.845 175.900 -0.009 0.000 1.062 187 Y CA -0.706 57.379 58.100 -0.025 0.000 1.023 187 Y CB 1.809 40.232 38.460 -0.062 0.000 1.308 187 Y HN 0.590 nan 8.280 nan 0.000 0.457 188 Q N 3.515 122.665 119.800 -1.084 0.000 2.268 188 Q HA 0.269 4.609 4.340 0.001 0.000 0.266 188 Q C -0.711 174.676 176.000 -1.023 0.000 1.006 188 Q CA -0.342 54.982 55.803 -0.799 0.000 0.824 188 Q CB 2.407 30.945 28.738 -0.334 0.000 1.306 188 Q HN 0.952 nan 8.270 nan 0.000 0.424 189 T N 1.920 116.066 114.554 -0.680 0.000 2.759 189 T HA -0.075 4.275 4.350 0.001 0.000 0.269 189 T C -0.034 174.571 174.700 -0.159 0.000 1.042 189 T CA 1.390 63.332 62.100 -0.263 0.000 1.140 189 T CB 0.002 68.888 68.868 0.030 0.000 0.864 189 T HN 0.503 nan 8.240 nan 0.000 0.455 190 D N -0.403 119.912 120.400 -0.142 0.000 2.738 190 D HA 0.188 4.828 4.640 0.001 0.000 0.218 190 D C 0.599 176.867 176.300 -0.053 0.000 1.345 190 D CA -0.227 53.727 54.000 -0.076 0.000 0.943 190 D CB 2.031 42.809 40.800 -0.037 0.000 1.514 190 D HN -0.126 nan 8.370 nan 0.000 0.585 191 V N 2.530 122.437 119.914 -0.012 0.000 2.594 191 V HA 0.129 4.250 4.120 0.001 0.000 0.253 191 V C 1.477 177.604 176.094 0.055 0.000 1.069 191 V CA 1.667 64.000 62.300 0.054 0.000 1.082 191 V CB -1.163 30.764 31.823 0.174 0.000 0.680 191 V HN 0.893 nan 8.190 nan 0.000 0.469 195 G N 1.077 109.934 108.800 0.095 0.000 2.336 195 G HA2 0.512 4.473 3.960 0.001 0.000 0.286 195 G HA3 0.512 4.473 3.960 0.001 0.000 0.286 195 G C -0.943 173.956 174.900 -0.001 0.000 1.269 195 G CA 0.005 45.111 45.100 0.010 0.000 0.873 195 G HN 1.087 nan 8.290 nan 0.000 0.494 196 T N -0.273 114.241 114.554 -0.068 0.000 2.806 196 T HA 0.514 4.864 4.350 0.001 0.000 0.290 196 T C 0.261 174.840 174.700 -0.203 0.000 0.966 196 T CA -0.148 61.926 62.100 -0.043 0.000 1.060 196 T CB 0.495 69.383 68.868 0.034 0.000 0.927 196 T HN 0.371 nan 8.240 nan 0.000 0.485 197 Y N 2.473 122.654 120.300 -0.199 0.000 2.490 197 Y HA 0.185 4.735 4.550 0.001 0.000 0.281 197 Y C 1.202 176.972 175.900 -0.217 0.000 1.174 197 Y CA 0.035 58.014 58.100 -0.201 0.000 1.295 197 Y CB -0.168 38.175 38.460 -0.195 0.000 1.062 197 Y HN 0.772 nan 8.280 nan 0.000 0.522 198 H N 0.274 119.376 119.070 0.053 0.000 2.970 198 H HA 0.288 4.844 4.556 0.000 0.000 0.226 198 H C 0.336 175.636 175.328 -0.047 0.000 1.909 198 H CA 0.174 56.227 56.048 0.009 0.000 1.388 198 H CB -0.155 29.608 29.762 0.002 0.000 1.773 198 H HN 0.228 nan 8.280 nan 0.000 0.559 199 S N 0.733 116.430 115.700 -0.005 0.000 2.979 199 S HA 0.332 4.803 4.470 0.001 0.000 0.302 199 S C -1.449 173.073 174.600 -0.130 0.000 1.250 199 S CA -1.026 57.112 58.200 -0.103 0.000 1.148 199 S CB 1.329 64.414 63.200 -0.191 0.000 1.409 199 S HN 0.197 nan 8.310 nan 0.000 0.517 200 I N -0.768 119.650 120.570 -0.252 0.000 2.540 200 I HA 0.603 4.774 4.170 0.001 0.000 0.280 200 I C -0.397 175.499 176.117 -0.367 0.000 1.083 200 I CA -0.680 60.486 61.300 -0.224 0.000 1.080 200 I CB -0.107 37.811 38.000 -0.136 0.000 1.205 200 I HN 0.773 nan 8.210 nan 0.000 0.459 201 I N 5.671 126.109 120.570 -0.221 0.000 6.133 201 I HA -0.222 3.949 4.170 0.001 0.000 0.126 201 I C 1.466 177.353 176.117 -0.383 0.000 1.819 201 I CA 1.581 62.764 61.300 -0.196 0.000 2.061 201 I CB -1.435 36.621 38.000 0.093 0.000 3.437 201 I HN 1.198 nan 8.210 nan 0.000 0.177 202 G N -0.887 107.665 108.800 -0.413 0.000 2.179 202 G HA2 -0.095 3.866 3.960 0.001 0.000 0.260 202 G HA3 -0.095 3.866 3.960 0.001 0.000 0.260 202 G C 0.673 175.394 174.900 -0.299 0.000 0.977 202 G CA 0.142 45.038 45.100 -0.340 0.000 0.641 202 G HN 1.376 nan 8.290 nan 0.000 0.533 203 G N -0.575 107.893 108.800 -0.554 0.000 2.477 203 G HA2 0.554 4.514 3.960 0.001 0.000 0.304 203 G HA3 0.554 4.514 3.960 0.001 0.000 0.304 203 G C -0.108 174.490 174.900 -0.505 0.000 1.175 203 G CA 0.168 44.827 45.100 -0.735 0.000 0.907 203 G HN 0.485 nan 8.290 nan 0.000 0.509 204 E N 0.442 120.447 120.200 -0.325 0.000 2.417 204 E HA 0.045 4.395 4.350 0.001 0.000 0.261 204 E C 1.380 177.943 176.600 -0.062 0.000 1.000 204 E CA -0.529 55.780 56.400 -0.151 0.000 0.919 204 E CB 0.871 30.505 29.700 -0.109 0.000 0.955 204 E HN 0.123 nan 8.360 nan 0.000 0.455 205 V N 5.285 125.172 119.914 -0.045 0.000 2.222 205 V HA -0.339 3.781 4.120 0.001 0.000 0.252 205 V C 2.090 178.234 176.094 0.083 0.000 1.060 205 V CA 2.181 64.490 62.300 0.014 0.000 1.027 205 V CB -0.576 31.253 31.823 0.010 0.000 0.644 205 V HN 0.729 nan 8.190 nan 0.000 0.448 206 E N -0.042 120.192 120.200 0.057 0.000 2.097 206 E HA -0.212 4.139 4.350 0.001 0.000 0.196 206 E C 2.260 178.919 176.600 0.098 0.000 1.000 206 E CA 1.961 58.401 56.400 0.067 0.000 0.804 206 E CB -0.922 28.799 29.700 0.035 0.000 0.740 206 E HN 0.657 nan 8.360 nan 0.000 0.454 207 T N 0.787 115.407 114.554 0.110 0.000 2.652 207 T HA -0.121 4.229 4.350 0.001 0.000 0.267 207 T C 1.785 176.593 174.700 0.180 0.000 1.039 207 T CA 1.280 63.452 62.100 0.121 0.000 1.153 207 T CB -0.469 68.466 68.868 0.110 0.000 0.863 207 T HN 0.137 nan 8.240 nan 0.000 0.428 208 F N 0.204 120.173 119.950 0.032 0.000 2.146 208 F HA -0.012 4.516 4.527 0.001 0.000 0.298 208 F C 2.157 178.096 175.800 0.232 0.000 1.096 208 F CA 0.245 58.317 58.000 0.120 0.000 1.275 208 F CB -0.278 38.825 39.000 0.171 0.000 1.008 208 F HN 0.067 nan 8.300 nan 0.000 0.480 209 L N 0.556 121.998 121.223 0.365 0.000 1.970 209 L HA -0.198 4.143 4.340 0.001 0.000 0.212 209 L C 2.570 179.569 176.870 0.215 0.000 1.071 209 L CA 2.053 57.063 54.840 0.282 0.000 0.751 209 L CB -1.267 40.888 42.059 0.159 0.000 0.889 209 L HN 0.081 nan 8.230 nan 0.000 0.432 210 A N -0.725 122.174 122.820 0.131 0.000 1.948 210 A HA -0.290 4.031 4.320 0.001 0.000 0.220 210 A C 2.505 180.115 177.584 0.044 0.000 1.177 210 A CA 1.971 54.052 52.037 0.073 0.000 0.636 210 A CB -0.711 18.315 19.000 0.043 0.000 0.815 210 A HN 0.459 nan 8.150 nan 0.000 0.449 211 R N -1.124 119.380 120.500 0.008 0.000 2.080 211 R HA -0.142 4.199 4.340 0.001 0.000 0.236 211 R C 1.863 178.085 176.300 -0.131 0.000 1.137 211 R CA 2.040 58.061 56.100 -0.131 0.000 0.943 211 R CB -0.675 29.441 30.300 -0.307 0.000 0.846 211 R HN 0.548 nan 8.270 nan 0.000 0.431 212 F N 0.605 120.549 119.950 -0.009 0.000 2.234 212 F HA -0.091 4.436 4.527 0.000 0.000 0.299 212 F C 2.361 178.164 175.800 0.005 0.000 1.087 212 F CA 0.841 58.844 58.000 0.005 0.000 1.340 212 F CB -0.085 38.933 39.000 0.031 0.000 1.031 212 F HN -0.010 nan 8.300 nan 0.000 0.500 213 L N -0.702 120.635 121.223 0.189 0.000 2.131 213 L HA -0.117 4.223 4.340 0.001 0.000 0.206 213 L C 2.442 179.348 176.870 0.061 0.000 1.087 213 L CA 1.691 56.597 54.840 0.110 0.000 0.767 213 L CB -0.761 41.350 42.059 0.087 0.000 0.917 213 L HN 0.239 nan 8.230 nan 0.000 0.441 214 T N -4.816 109.760 114.554 0.037 0.000 3.037 214 T HA 0.184 4.534 4.350 0.001 0.000 0.252 214 T C 1.564 176.262 174.700 -0.003 0.000 1.073 214 T CA 0.553 62.661 62.100 0.013 0.000 1.091 214 T CB 0.583 69.453 68.868 0.003 0.000 0.935 214 T HN 0.390 nan 8.240 nan 0.000 0.488 215 G N 1.602 110.390 108.800 -0.020 0.000 2.184 215 G HA2 -0.282 3.678 3.960 0.001 0.000 0.264 215 G HA3 -0.282 3.678 3.960 0.001 0.000 0.264 215 G C 0.189 175.058 174.900 -0.052 0.000 0.975 215 G CA 0.260 45.337 45.100 -0.039 0.000 0.642 215 G HN 0.701 nan 8.290 nan 0.000 0.536 216 R N 0.939 121.410 120.500 -0.049 0.000 2.674 216 R HA 0.604 4.944 4.340 0.001 0.000 0.266 216 R C -2.069 174.190 176.300 -0.069 0.000 1.016 216 R CA -1.639 54.433 56.100 -0.048 0.000 1.062 216 R CB 1.079 31.361 30.300 -0.029 0.000 1.142 216 R HN 0.142 nan 8.270 nan 0.000 0.517 217 P HA 0.020 nan 4.420 nan 0.000 0.271 217 P C -1.246 176.017 177.300 -0.061 0.000 1.218 217 P CA -0.066 62.992 63.100 -0.071 0.000 0.780 217 P CB 0.927 32.598 31.700 -0.049 0.000 0.901 218 Q N 1.632 121.387 119.800 -0.075 0.000 2.305 218 Q HA 0.409 4.749 4.340 0.001 0.000 0.271 218 Q C -2.447 173.538 176.000 -0.025 0.000 1.046 218 Q CA -1.963 53.808 55.803 -0.053 0.000 0.798 218 Q CB 1.017 29.712 28.738 -0.073 0.000 1.286 218 Q HN 0.372 nan 8.270 nan 0.000 0.435 219 P HA 0.034 nan 4.420 nan 0.000 0.263 219 P C -0.507 176.842 177.300 0.081 0.000 1.195 219 P CA -0.106 63.022 63.100 0.048 0.000 0.762 219 P CB 0.058 31.779 31.700 0.036 0.000 0.799 220 F N 4.698 124.655 119.950 0.012 0.000 2.572 220 F HA 0.185 4.713 4.527 0.000 0.000 0.370 220 F C 0.515 176.378 175.800 0.105 0.000 1.103 220 F CA 0.246 58.293 58.000 0.079 0.000 1.286 220 F CB 0.477 39.524 39.000 0.078 0.000 1.105 220 F HN 0.243 nan 8.300 nan 0.000 0.583 221 R N 4.544 124.557 120.500 -0.813 0.000 2.574 221 R HA 0.622 4.962 4.340 0.001 0.000 0.288 221 R C -1.118 174.688 176.300 -0.824 0.000 1.004 221 R CA -1.076 54.701 56.100 -0.537 0.000 0.895 221 R CB 1.751 31.925 30.300 -0.210 0.000 1.191 221 R HN 0.762 nan 8.270 nan 0.000 0.444 222 A N 2.124 124.690 122.820 -0.422 0.000 2.366 222 A HA 0.631 4.952 4.320 0.001 0.000 0.272 222 A C 0.257 177.751 177.584 -0.150 0.000 1.135 222 A CA -0.334 51.579 52.037 -0.206 0.000 0.804 222 A CB 0.597 19.655 19.000 0.096 0.000 1.064 222 A HN 0.808 nan 8.150 nan 0.000 0.499 223 A N 2.487 125.213 122.820 -0.157 0.000 2.386 223 A HA 0.546 4.866 4.320 0.001 0.000 0.248 223 A C 0.083 177.639 177.584 -0.047 0.000 1.082 223 A CA -0.118 51.856 52.037 -0.105 0.000 0.789 223 A CB 0.220 19.148 19.000 -0.120 0.000 1.025 223 A HN 0.799 nan 8.150 nan 0.000 0.490 224 Q N -0.348 119.438 119.800 -0.023 0.000 2.356 224 Q HA 0.709 5.050 4.340 0.001 0.000 0.270 224 Q C -0.090 175.923 176.000 0.021 0.000 1.058 224 Q CA 0.147 55.951 55.803 0.002 0.000 0.802 224 Q CB 2.055 30.793 28.738 0.000 0.000 1.303 224 Q HN 1.467 nan 8.270 nan 0.000 0.444 225 G N 0.950 109.778 108.800 0.047 0.000 2.321 225 G HA2 0.104 4.064 3.960 0.001 0.000 0.298 225 G HA3 0.104 4.064 3.960 0.001 0.000 0.298 225 G C -1.419 173.555 174.900 0.122 0.000 1.385 225 G CA -1.036 44.112 45.100 0.079 0.000 0.856 225 G HN 0.320 nan 8.290 nan 0.000 0.584 226 K N 0.124 120.614 120.400 0.151 0.000 2.484 226 K HA 0.470 4.791 4.320 0.001 0.000 0.280 226 K C 0.565 177.251 176.600 0.143 0.000 1.013 226 K CA 0.650 57.014 56.287 0.128 0.000 1.029 226 K CB 1.089 33.649 32.500 0.101 0.000 0.902 226 K HN 0.806 nan 8.250 nan 0.000 0.481 227 A N 3.929 126.806 122.820 0.095 0.000 2.282 227 A HA 0.602 4.922 4.320 0.001 0.000 0.324 227 A C -0.424 177.214 177.584 0.090 0.000 1.119 227 A CA -0.731 51.373 52.037 0.111 0.000 0.880 227 A CB 0.992 20.076 19.000 0.140 0.000 1.294 227 A HN 0.688 nan 8.150 nan 0.000 0.493 228 R N -0.819 119.785 120.500 0.174 0.000 2.740 228 R HA 0.458 4.798 4.340 0.001 0.000 0.282 228 R C -1.946 174.505 176.300 0.252 0.000 0.969 228 R CA -0.417 55.750 56.100 0.112 0.000 0.918 228 R CB 2.037 32.352 30.300 0.025 0.000 1.175 228 R HN 0.633 nan 8.270 nan 0.000 0.464 229 F N 3.211 123.207 119.950 0.076 0.000 2.361 229 F HA 0.329 4.856 4.527 0.000 0.000 0.364 229 F C -0.552 175.256 175.800 0.013 0.000 1.117 229 F CA -0.439 57.673 58.000 0.187 0.000 1.071 229 F CB 0.619 39.871 39.000 0.420 0.000 1.188 229 F HN 0.344 nan 8.300 nan 0.000 0.464 230 H N 5.207 124.223 119.070 -0.089 0.000 2.505 230 H HA 0.797 5.353 4.556 0.000 0.000 0.338 230 H C -0.794 174.427 175.328 -0.178 0.000 1.057 230 H CA -0.489 55.546 56.048 -0.020 0.000 1.202 230 H CB 1.613 31.415 29.762 0.066 0.000 1.466 230 H HN 0.814 nan 8.280 nan 0.000 0.499 231 A N 2.348 125.235 122.820 0.112 0.000 2.602 231 A HA 0.662 4.983 4.320 0.001 0.000 0.290 231 A C -0.890 176.801 177.584 0.178 0.000 1.114 231 A CA -0.682 51.387 52.037 0.052 0.000 0.683 231 A CB 1.744 20.679 19.000 -0.108 0.000 1.281 231 A HN 0.519 nan 8.150 nan 0.000 0.416 232 T N 1.666 116.304 114.554 0.140 0.000 2.879 232 T HA 0.529 4.879 4.350 0.001 0.000 0.290 232 T C -0.737 174.001 174.700 0.063 0.000 0.993 232 T CA -0.417 61.757 62.100 0.123 0.000 0.975 232 T CB 1.232 70.152 68.868 0.087 0.000 0.981 232 T HN 0.745 nan 8.240 nan 0.000 0.439 233 E N 3.841 124.081 120.200 0.067 0.000 2.216 233 E HA 0.657 5.007 4.350 0.001 0.000 0.279 233 E C -1.122 175.474 176.600 -0.007 0.000 0.997 233 E CA -0.895 55.521 56.400 0.026 0.000 0.817 233 E CB 1.137 30.927 29.700 0.150 0.000 1.096 233 E HN 0.419 nan 8.360 nan 0.000 0.393 234 L N 2.502 123.654 121.223 -0.119 0.000 2.365 234 L HA 0.513 4.853 4.340 0.001 0.000 0.273 234 L C -0.873 175.729 176.870 -0.447 0.000 1.000 234 L CA -1.356 53.316 54.840 -0.279 0.000 0.819 234 L CB 2.141 43.927 42.059 -0.456 0.000 1.284 234 L HN 0.449 nan 8.230 nan 0.000 0.418 235 V N 2.802 122.521 119.914 -0.326 0.000 2.409 235 V HA 0.500 4.620 4.120 0.001 0.000 0.291 235 V C -0.873 175.161 176.094 -0.100 0.000 1.020 235 V CA -0.396 61.758 62.300 -0.243 0.000 0.848 235 V CB 1.456 33.244 31.823 -0.059 0.000 0.990 235 V HN 0.343 nan 8.190 nan 0.000 0.430 236 F N 2.690 122.496 119.950 -0.239 0.000 2.507 236 F HA 0.748 5.276 4.527 0.000 0.000 0.325 236 F C 0.259 175.885 175.800 -0.291 0.000 1.116 236 F CA -1.662 56.058 58.000 -0.467 0.000 0.930 236 F CB 1.802 40.011 39.000 -1.319 0.000 1.146 236 F HN 0.478 nan 8.300 nan 0.000 0.447 237 E N 0.070 120.369 120.200 0.164 0.000 2.354 237 E HA 0.503 4.853 4.350 0.001 0.000 0.283 237 E C -0.065 176.691 176.600 0.260 0.000 0.938 237 E CA -0.686 55.848 56.400 0.224 0.000 0.777 237 E CB 2.211 31.985 29.700 0.123 0.000 1.222 237 E HN 0.775 nan 8.360 nan 0.000 0.423 238 G N 1.453 110.404 108.800 0.250 0.000 2.198 238 G HA2 -0.192 3.769 3.960 0.001 0.000 0.257 238 G HA3 -0.192 3.769 3.960 0.001 0.000 0.257 238 G C 0.898 175.882 174.900 0.140 0.000 1.042 238 G CA 0.584 45.777 45.100 0.155 0.000 0.791 238 G HN 1.388 nan 8.290 nan 0.000 0.502 239 G N -1.860 107.050 108.800 0.183 0.000 2.175 239 G HA2 -0.296 3.664 3.960 0.001 0.000 0.265 239 G HA3 -0.296 3.664 3.960 0.001 0.000 0.265 239 G C 0.514 175.509 174.900 0.157 0.000 0.979 239 G CA 1.275 46.340 45.100 -0.059 0.000 0.663 239 G HN 0.933 nan 8.290 nan 0.000 0.533 240 R N 0.125 120.812 120.500 0.312 0.000 2.778 240 R HA 0.514 4.855 4.340 0.001 0.000 0.277 240 R C -2.694 173.712 176.300 0.176 0.000 0.977 240 R CA -2.125 54.085 56.100 0.184 0.000 0.950 240 R CB 1.954 32.323 30.300 0.114 0.000 1.165 240 R HN 0.098 nan 8.270 nan 0.000 0.474 241 P HA 0.108 nan 4.420 nan 0.000 0.286 241 P C 0.419 177.826 177.300 0.179 0.000 1.321 241 P CA -0.136 63.049 63.100 0.143 0.000 0.790 241 P CB 1.034 32.763 31.700 0.049 0.000 0.897 242 V N 3.116 123.157 119.914 0.213 0.000 2.426 242 V HA 0.192 4.312 4.120 0.001 0.000 0.242 242 V C 1.195 177.352 176.094 0.105 0.000 1.036 242 V CA 1.834 64.211 62.300 0.129 0.000 1.044 242 V CB -0.643 31.239 31.823 0.099 0.000 0.688 242 V HN 0.709 nan 8.190 nan 0.000 0.462 243 A N -0.721 122.162 122.820 0.104 0.000 2.606 243 A HA 0.797 5.117 4.320 0.001 0.000 0.293 243 A C -1.516 176.110 177.584 0.070 0.000 1.082 243 A CA -0.358 51.725 52.037 0.077 0.000 0.685 243 A CB 2.026 21.058 19.000 0.053 0.000 1.284 243 A HN 0.182 nan 8.150 nan 0.000 0.408 244 I N 0.857 121.467 120.570 0.068 0.000 2.512 244 I HA 0.612 4.782 4.170 0.001 0.000 0.287 244 I C -1.244 174.912 176.117 0.064 0.000 1.069 244 I CA -0.064 61.272 61.300 0.061 0.000 1.056 244 I CB 1.818 39.856 38.000 0.063 0.000 1.229 244 I HN 0.472 nan 8.210 nan 0.000 0.429 245 S N 7.957 123.703 115.700 0.076 0.000 2.779 245 S HA 0.481 4.952 4.470 0.001 0.000 0.293 245 S C -2.658 172.025 174.600 0.139 0.000 1.150 245 S CA -0.958 57.304 58.200 0.103 0.000 1.057 245 S CB 1.838 65.112 63.200 0.123 0.000 1.021 245 S HN 0.416 nan 8.310 nan 0.000 0.485 246 P HA 0.222 nan 4.420 nan 0.000 0.268 246 P C -1.238 176.208 177.300 0.243 0.000 1.205 246 P CA -0.089 63.107 63.100 0.159 0.000 0.771 246 P CB 0.253 32.018 31.700 0.108 0.000 0.858 247 Y N 3.003 123.392 120.300 0.147 0.000 2.485 247 Y HA 0.620 5.170 4.550 0.000 0.000 0.345 247 Y C -1.283 174.734 175.900 0.195 0.000 0.998 247 Y CA -0.716 57.493 58.100 0.181 0.000 1.059 247 Y CB 1.581 40.175 38.460 0.224 0.000 1.234 247 Y HN 0.104 nan 8.280 nan 0.000 0.461 248 V N 4.845 124.584 119.914 -0.292 0.000 2.808 248 V HA 0.334 4.454 4.120 0.001 0.000 0.308 248 V C -1.647 174.285 176.094 -0.271 0.000 1.099 248 V CA -0.992 61.177 62.300 -0.217 0.000 0.920 248 V CB 1.823 33.526 31.823 -0.201 0.000 1.014 248 V HN 0.824 nan 8.190 nan 0.000 0.425 249 W N 3.384 124.540 121.300 -0.239 0.000 3.022 249 W HA 0.719 5.379 4.660 0.000 0.000 0.335 249 W C -0.749 175.634 176.519 -0.226 0.000 1.133 249 W CA -0.225 56.935 57.345 -0.309 0.000 1.219 249 W CB 1.791 30.920 29.460 -0.552 0.000 1.409 249 W HN 0.607 nan 8.180 nan 0.000 0.507 250 E N 2.758 122.316 120.200 -1.070 0.000 2.227 250 E HA 0.163 4.514 4.350 0.001 0.000 0.268 250 E C -1.172 174.533 176.600 -1.490 0.000 0.907 250 E CA -1.113 54.742 56.400 -0.908 0.000 0.786 250 E CB 2.304 31.687 29.700 -0.529 0.000 1.191 250 E HN 0.382 nan 8.360 nan 0.000 0.411 251 E N 3.933 123.599 120.200 -0.889 0.000 2.217 251 E HA 0.094 4.444 4.350 0.001 0.000 0.279 251 E C -1.800 174.560 176.600 -0.399 0.000 1.068 251 E CA -1.710 54.301 56.400 -0.649 0.000 0.882 251 E CB 0.512 30.120 29.700 -0.154 0.000 1.039 251 E HN 0.264 nan 8.360 nan 0.000 0.418 252 P HA 0.000 nan 4.420 nan 0.000 0.216 252 P CA 0.000 62.990 63.100 -0.183 0.000 0.800 252 P CB 0.000 31.639 31.700 -0.102 0.000 0.726