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 3cxh_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAFRKSNVYL SLVNSYIIDS PQPSSINYWW NMGSLLGLCL VIQIVTGIFM DATA SEQUENCE AMHYSSNIEL AFSSVEHIMR DVHNGYILRY LHANGASFFF MVMFMHMAKG DATA SEQUENCE LYYGSYRSPR VTLWNVGVII FILTIATAFL GYCCVYGQMS HWGATVITNL DATA SEQUENCE FSAIPFVGND IVSWLWGGFS VSNPTIQRFF ALHYLVPFII AAMVIMHLMA DATA SEQUENCE LHIHGSSNPL GITGNLDRIP MHSYFIFKDL VTVFLFMLIL ALFVFYSPNT DATA SEQUENCE LGHPDNYIPG NPLVTPASIV PEWYLLPFYA ILRSIPDKLL GVITMFAAIL DATA SEQUENCE VLLVLPFTDR SVVRGNTFKV LSKFFFFIFV FNFVLLGQIG ACHVEVPYVL DATA SEQUENCE MGQIATFIYF AYFLIIVPVI STIENVLFYI GRVNK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.338 176.300 0.063 0.000 1.140 1 M CA 0.000 55.324 55.300 0.041 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 A N 2.370 125.227 122.820 0.062 0.000 2.462 2 A HA 0.269 4.588 4.320 -0.001 0.000 0.243 2 A C 0.258 177.914 177.584 0.120 0.000 1.076 2 A CA -0.087 52.005 52.037 0.092 0.000 0.773 2 A CB -0.100 18.945 19.000 0.074 0.000 1.010 2 A HN 0.966 nan 8.150 nan 0.000 0.493 3 F N 2.129 122.087 119.950 0.013 0.000 2.202 3 F HA -0.252 4.274 4.527 -0.001 0.000 0.301 3 F C 2.489 178.298 175.800 0.014 0.000 1.082 3 F CA 2.235 60.242 58.000 0.011 0.000 1.313 3 F CB 0.107 39.114 39.000 0.012 0.000 1.024 3 F HN 0.804 nan 8.300 nan 0.000 0.495 4 R N 0.295 120.794 120.500 -0.001 0.000 2.189 4 R HA -0.112 4.227 4.340 -0.001 0.000 0.223 4 R C 1.605 177.838 176.300 -0.113 0.000 1.092 4 R CA 1.627 57.679 56.100 -0.080 0.000 0.989 4 R CB -0.492 29.815 30.300 0.012 0.000 0.876 4 R HN 0.256 nan 8.270 nan 0.000 0.457 5 K N 0.665 121.017 120.400 -0.079 0.000 2.308 5 K HA 0.058 4.378 4.320 -0.001 0.000 0.197 5 K C 2.155 178.695 176.600 -0.101 0.000 1.049 5 K CA 0.935 57.185 56.287 -0.062 0.000 0.991 5 K CB 0.464 32.956 32.500 -0.014 0.000 0.836 5 K HN 0.273 nan 8.250 nan 0.000 0.500 6 S N 0.822 116.440 115.700 -0.137 0.000 2.406 6 S HA -0.062 4.408 4.470 -0.001 0.000 0.224 6 S C 0.941 175.393 174.600 -0.245 0.000 1.030 6 S CA -0.003 58.116 58.200 -0.135 0.000 0.958 6 S CB -0.484 62.693 63.200 -0.038 0.000 0.811 6 S HN 0.212 nan 8.310 nan 0.000 0.489 7 N N 1.382 119.777 118.700 -0.507 0.000 2.458 7 N HA -0.016 4.723 4.740 -0.001 0.000 0.258 7 N C 1.199 176.495 175.510 -0.357 0.000 1.219 7 N CA 0.313 53.026 53.050 -0.563 0.000 0.902 7 N CB 1.437 39.297 38.487 -1.046 0.000 1.076 7 N HN 0.154 nan 8.380 nan 0.000 0.455 8 V N 5.369 125.059 119.914 -0.373 0.000 2.392 8 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 8 V C 1.133 177.005 176.094 -0.370 0.000 1.059 8 V CA 1.750 63.800 62.300 -0.417 0.000 1.051 8 V CB -0.632 30.831 31.823 -0.600 0.000 0.658 8 V HN 0.732 nan 8.190 nan 0.000 0.455 9 Y N -0.690 119.550 120.300 -0.100 0.000 2.262 9 Y HA 0.100 4.649 4.550 -0.001 0.000 0.295 9 Y C 2.326 178.171 175.900 -0.093 0.000 1.121 9 Y CA 1.011 59.062 58.100 -0.081 0.000 1.144 9 Y CB -0.152 38.274 38.460 -0.057 0.000 1.043 9 Y HN 0.122 nan 8.280 nan 0.000 0.528 10 L N 0.179 121.405 121.223 0.005 0.000 2.191 10 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 10 L C 2.531 179.369 176.870 -0.053 0.000 1.103 10 L CA 1.445 56.258 54.840 -0.045 0.000 0.769 10 L CB -0.680 41.301 42.059 -0.130 0.000 0.908 10 L HN 0.327 nan 8.230 nan 0.000 0.438 11 S N -0.215 115.436 115.700 -0.082 0.000 2.423 11 S HA -0.127 4.343 4.470 -0.001 0.000 0.231 11 S C 1.887 176.498 174.600 0.019 0.000 1.014 11 S CA 0.726 58.898 58.200 -0.047 0.000 0.965 11 S CB -0.379 62.777 63.200 -0.072 0.000 0.785 11 S HN 0.402 nan 8.310 nan 0.000 0.495 12 L N 0.745 121.984 121.223 0.027 0.000 2.095 12 L HA 0.026 4.365 4.340 -0.001 0.000 0.204 12 L C 2.661 179.590 176.870 0.098 0.000 1.080 12 L CA 0.793 55.673 54.840 0.067 0.000 0.759 12 L CB -0.503 41.555 42.059 -0.003 0.000 0.914 12 L HN 0.263 nan 8.230 nan 0.000 0.439 13 V N 0.178 120.120 119.914 0.045 0.000 2.343 13 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 13 V C 2.277 178.420 176.094 0.081 0.000 1.051 13 V CA 2.027 64.355 62.300 0.046 0.000 1.036 13 V CB -0.736 31.095 31.823 0.014 0.000 0.654 13 V HN 0.573 nan 8.190 nan 0.000 0.451 14 N N 0.571 119.308 118.700 0.062 0.000 2.142 14 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 14 N C 2.046 177.615 175.510 0.098 0.000 1.023 14 N CA 1.836 54.924 53.050 0.063 0.000 0.852 14 N CB 0.055 38.562 38.487 0.032 0.000 0.998 14 N HN 0.599 nan 8.380 nan 0.000 0.424 15 S N -1.092 114.680 115.700 0.120 0.000 2.436 15 S HA -0.046 4.423 4.470 -0.001 0.000 0.228 15 S C 1.565 176.239 174.600 0.123 0.000 1.014 15 S CA 0.400 58.674 58.200 0.123 0.000 0.950 15 S CB -0.433 62.836 63.200 0.115 0.000 0.784 15 S HN 0.377 nan 8.310 nan 0.000 0.504 16 Y N 0.543 120.862 120.300 0.031 0.000 2.479 16 Y HA 0.492 5.042 4.550 -0.001 0.000 0.283 16 Y C 1.866 177.809 175.900 0.071 0.000 1.109 16 Y CA 0.125 58.249 58.100 0.039 0.000 1.239 16 Y CB 0.181 38.591 38.460 -0.083 0.000 1.108 16 Y HN 0.253 nan 8.280 nan 0.000 0.548 17 I N -1.753 118.935 120.570 0.197 0.000 4.323 17 I HA 0.043 4.212 4.170 -0.001 0.000 0.328 17 I C 1.144 177.339 176.117 0.130 0.000 1.310 17 I CA 0.344 61.727 61.300 0.138 0.000 1.186 17 I CB 0.525 38.576 38.000 0.085 0.000 1.130 17 I HN 0.041 nan 8.210 nan 0.000 0.411 18 I N 0.320 120.963 120.570 0.121 0.000 3.341 18 I HA 0.051 4.221 4.170 -0.001 0.000 0.243 18 I C 0.982 177.199 176.117 0.168 0.000 1.094 18 I CA 0.558 61.939 61.300 0.136 0.000 1.507 18 I CB 0.009 38.046 38.000 0.062 0.000 1.441 18 I HN -0.034 nan 8.210 nan 0.000 0.465 19 D N 1.049 121.523 120.400 0.122 0.000 2.339 19 D HA 0.042 4.681 4.640 -0.001 0.000 0.217 19 D C 0.755 177.103 176.300 0.081 0.000 1.050 19 D CA 0.294 54.358 54.000 0.106 0.000 0.856 19 D CB 0.161 41.007 40.800 0.077 0.000 0.922 19 D HN -0.030 nan 8.370 nan 0.000 0.518 20 S N 1.936 117.687 115.700 0.085 0.000 2.596 20 S HA 0.057 4.526 4.470 -0.001 0.000 0.298 20 S C -2.517 172.086 174.600 0.006 0.000 1.255 20 S CA -0.952 57.265 58.200 0.029 0.000 1.083 20 S CB 0.537 63.765 63.200 0.046 0.000 0.837 20 S HN -0.137 nan 8.310 nan 0.000 0.499 21 P HA 0.238 nan 4.420 nan 0.000 0.279 21 P C -0.815 176.424 177.300 -0.101 0.000 1.318 21 P CA -0.320 62.751 63.100 -0.048 0.000 0.819 21 P CB 0.582 32.242 31.700 -0.067 0.000 0.927 22 Q N 4.452 124.193 119.800 -0.100 0.000 2.222 22 Q HA 0.406 4.745 4.340 -0.001 0.000 0.252 22 Q C -2.384 173.493 176.000 -0.205 0.000 0.926 22 Q CA -2.601 53.045 55.803 -0.262 0.000 0.899 22 Q CB 0.393 28.769 28.738 -0.603 0.000 1.250 22 Q HN 0.268 nan 8.270 nan 0.000 0.441 23 P HA -0.028 nan 4.420 nan 0.000 0.267 23 P C 0.561 177.768 177.300 -0.155 0.000 1.205 23 P CA 0.286 63.254 63.100 -0.220 0.000 0.765 23 P CB 0.635 32.151 31.700 -0.306 0.000 0.828 24 S N 1.527 117.177 115.700 -0.084 0.000 2.419 24 S HA -0.167 4.302 4.470 -0.001 0.000 0.235 24 S C 1.466 176.040 174.600 -0.044 0.000 1.019 24 S CA 1.557 59.736 58.200 -0.036 0.000 0.982 24 S CB -1.032 62.117 63.200 -0.085 0.000 0.789 24 S HN 0.496 nan 8.310 nan 0.000 0.490 25 S N 1.600 117.227 115.700 -0.121 0.000 2.577 25 S HA 0.334 4.804 4.470 -0.001 0.000 0.219 25 S C 0.685 175.130 174.600 -0.259 0.000 0.962 25 S CA -0.727 57.385 58.200 -0.146 0.000 0.921 25 S CB -1.005 62.116 63.200 -0.131 0.000 0.789 25 S HN 0.721 nan 8.310 nan 0.000 0.497 26 I N 1.775 122.119 120.570 -0.377 0.000 2.710 26 I HA 0.323 4.493 4.170 -0.001 0.000 0.286 26 I C 0.058 176.032 176.117 -0.238 0.000 1.181 26 I CA -0.634 60.258 61.300 -0.680 0.000 1.430 26 I CB 0.070 37.470 38.000 -0.999 0.000 1.367 26 I HN 0.196 nan 8.210 nan 0.000 0.577 27 N N 3.900 122.549 118.700 -0.086 0.000 2.491 27 N HA 0.196 4.935 4.740 -0.001 0.000 0.279 27 N C 0.289 175.940 175.510 0.234 0.000 1.236 27 N CA -0.535 52.586 53.050 0.118 0.000 0.982 27 N CB 0.071 38.712 38.487 0.257 0.000 1.194 27 N HN 0.587 nan 8.380 nan 0.000 0.582 28 Y N -1.402 119.009 120.300 0.186 0.000 2.446 28 Y HA -0.136 4.413 4.550 -0.001 0.000 0.287 28 Y C 1.311 177.275 175.900 0.106 0.000 1.159 28 Y CA 1.087 59.242 58.100 0.092 0.000 1.297 28 Y CB -0.447 37.967 38.460 -0.077 0.000 0.974 28 Y HN 0.562 nan 8.280 nan 0.000 0.557 29 W N -1.967 119.590 121.300 0.428 0.000 2.425 29 W HA -0.178 4.481 4.660 -0.001 0.000 0.277 29 W C 1.611 178.255 176.519 0.208 0.000 1.231 29 W CA 0.272 57.787 57.345 0.284 0.000 1.248 29 W CB -0.423 29.164 29.460 0.212 0.000 1.117 29 W HN 0.091 nan 8.180 nan 0.000 0.568 30 W N 0.492 121.969 121.300 0.296 0.000 3.377 30 W HA -0.007 4.652 4.660 -0.001 0.000 0.277 30 W C 0.514 177.138 176.519 0.175 0.000 1.311 30 W CA 0.260 57.722 57.345 0.195 0.000 1.703 30 W CB -0.498 28.995 29.460 0.056 0.000 1.095 30 W HN -0.024 nan 8.180 nan 0.000 0.715 31 N N -0.572 118.344 118.700 0.359 0.000 2.254 31 N HA -0.035 4.705 4.740 -0.001 0.000 0.190 31 N C 1.848 177.469 175.510 0.185 0.000 1.107 31 N CA 0.455 53.661 53.050 0.260 0.000 0.869 31 N CB -0.131 38.527 38.487 0.285 0.000 0.983 31 N HN -0.089 nan 8.380 nan 0.000 0.487 32 M N -0.306 119.426 119.600 0.221 0.000 2.175 32 M HA 0.084 4.563 4.480 -0.001 0.000 0.264 32 M C 2.126 178.389 176.300 -0.062 0.000 1.063 32 M CA 1.009 56.395 55.300 0.143 0.000 1.119 32 M CB -1.485 31.291 32.600 0.294 0.000 1.377 32 M HN 0.154 nan 8.290 nan 0.000 0.415 33 G N 1.033 109.795 108.800 -0.062 0.000 2.514 33 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 33 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 33 G C 1.707 176.547 174.900 -0.100 0.000 1.198 33 G CA 2.058 47.056 45.100 -0.169 0.000 0.780 33 G HN 0.584 nan 8.290 nan 0.000 0.565 34 S N 0.398 116.082 115.700 -0.027 0.000 2.383 34 S HA -0.070 4.399 4.470 -0.001 0.000 0.229 34 S C 2.277 176.784 174.600 -0.155 0.000 1.030 34 S CA 1.387 59.552 58.200 -0.058 0.000 1.002 34 S CB -0.378 62.814 63.200 -0.014 0.000 0.829 34 S HN 0.103 nan 8.310 nan 0.000 0.467 35 L N 1.144 122.264 121.223 -0.172 0.000 2.131 35 L HA 0.187 4.526 4.340 -0.001 0.000 0.210 35 L C 2.360 178.991 176.870 -0.399 0.000 1.092 35 L CA 1.283 55.921 54.840 -0.337 0.000 0.759 35 L CB -0.703 41.218 42.059 -0.231 0.000 0.903 35 L HN 0.364 nan 8.230 nan 0.000 0.435 36 L N -1.761 119.308 121.223 -0.255 0.000 2.156 36 L HA -0.067 4.272 4.340 -0.001 0.000 0.208 36 L C 2.421 179.117 176.870 -0.290 0.000 1.095 36 L CA 0.993 55.708 54.840 -0.209 0.000 0.770 36 L CB -1.044 40.951 42.059 -0.107 0.000 0.914 36 L HN 0.377 nan 8.230 nan 0.000 0.439 37 G N -0.032 108.631 108.800 -0.228 0.000 2.418 37 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 37 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 37 G C 1.618 176.350 174.900 -0.281 0.000 1.158 37 G CA 0.326 45.304 45.100 -0.202 0.000 0.771 37 G HN 0.214 nan 8.290 nan 0.000 0.545 38 L N 0.173 121.197 121.223 -0.331 0.000 2.042 38 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 38 L C 2.935 179.549 176.870 -0.426 0.000 1.076 38 L CA 1.360 55.987 54.840 -0.355 0.000 0.749 38 L CB -0.375 41.413 42.059 -0.451 0.000 0.893 38 L HN 0.292 nan 8.230 nan 0.000 0.432 39 C N -0.658 118.274 119.300 -0.614 0.000 2.413 39 C HA -0.203 4.256 4.460 -0.001 0.000 0.276 39 C C 2.633 177.093 174.990 -0.883 0.000 1.236 39 C CA 0.687 59.223 59.018 -0.803 0.000 1.735 39 C CB -0.885 26.080 27.740 -1.292 0.000 2.031 39 C HN 0.557 nan 8.230 nan 0.000 0.474 40 L N 0.855 121.575 121.223 -0.839 0.000 2.012 40 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 40 L C 2.501 179.192 176.870 -0.299 0.000 1.073 40 L CA 1.912 56.468 54.840 -0.473 0.000 0.748 40 L CB -0.786 41.123 42.059 -0.250 0.000 0.891 40 L HN 0.211 nan 8.230 nan 0.000 0.431 41 V N -0.372 119.390 119.914 -0.253 0.000 2.343 41 V HA -0.308 3.812 4.120 -0.001 0.000 0.247 41 V C 2.504 178.522 176.094 -0.127 0.000 1.051 41 V CA 2.069 64.273 62.300 -0.160 0.000 1.036 41 V CB -0.492 31.254 31.823 -0.129 0.000 0.654 41 V HN 0.413 nan 8.190 nan 0.000 0.451 42 I N -0.440 120.036 120.570 -0.156 0.000 2.226 42 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 42 I C 2.758 178.848 176.117 -0.046 0.000 1.100 42 I CA 1.250 62.500 61.300 -0.084 0.000 1.374 42 I CB -0.342 37.615 38.000 -0.071 0.000 1.057 42 I HN 0.327 nan 8.210 nan 0.000 0.413 43 Q N 0.456 120.184 119.800 -0.121 0.000 2.050 43 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 43 Q C 2.330 178.355 176.000 0.041 0.000 0.980 43 Q CA 1.698 57.463 55.803 -0.064 0.000 0.840 43 Q CB -0.382 28.261 28.738 -0.159 0.000 0.898 43 Q HN 0.552 nan 8.270 nan 0.000 0.424 44 I N 0.051 120.566 120.570 -0.091 0.000 2.142 44 I HA -0.251 3.918 4.170 -0.001 0.000 0.240 44 I C 2.355 178.449 176.117 -0.037 0.000 1.078 44 I CA 0.907 62.123 61.300 -0.141 0.000 1.343 44 I CB -0.391 37.471 38.000 -0.231 0.000 1.046 44 I HN -0.026 nan 8.210 nan 0.000 0.405 45 V N 0.954 120.884 119.914 0.027 0.000 2.261 45 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 45 V C 2.733 178.956 176.094 0.215 0.000 1.047 45 V CA 2.581 64.967 62.300 0.143 0.000 1.015 45 V CB -1.341 30.558 31.823 0.127 0.000 0.642 45 V HN 0.647 nan 8.190 nan 0.000 0.446 46 T N -1.205 113.434 114.554 0.141 0.000 2.788 46 T HA -0.102 4.248 4.350 -0.001 0.000 0.268 46 T C 1.956 176.665 174.700 0.016 0.000 1.044 46 T CA 1.563 63.739 62.100 0.126 0.000 1.139 46 T CB -0.845 68.120 68.868 0.162 0.000 0.867 46 T HN 0.484 nan 8.240 nan 0.000 0.454 47 G N 2.003 110.768 108.800 -0.058 0.000 2.404 47 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.215 47 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.215 47 G C 1.520 176.298 174.900 -0.203 0.000 1.174 47 G CA 0.758 45.671 45.100 -0.311 0.000 0.780 47 G HN 0.450 nan 8.290 nan 0.000 0.537 48 I N 0.427 120.909 120.570 -0.148 0.000 2.163 48 I HA -0.100 4.069 4.170 -0.001 0.000 0.243 48 I C 2.578 178.626 176.117 -0.115 0.000 1.085 48 I CA 0.999 62.201 61.300 -0.164 0.000 1.347 48 I CB -1.366 36.551 38.000 -0.137 0.000 1.044 48 I HN 0.081 nan 8.210 nan 0.000 0.408 49 F N 0.414 120.345 119.950 -0.031 0.000 2.216 49 F HA -0.168 4.359 4.527 -0.001 0.000 0.300 49 F C 2.722 178.551 175.800 0.048 0.000 1.085 49 F CA 1.266 59.273 58.000 0.012 0.000 1.326 49 F CB -0.457 38.555 39.000 0.021 0.000 1.027 49 F HN -0.018 nan 8.300 nan 0.000 0.497 50 M N -0.943 118.744 119.600 0.145 0.000 2.236 50 M HA -0.086 4.393 4.480 -0.001 0.000 0.266 50 M C 2.465 178.832 176.300 0.111 0.000 1.070 50 M CA 1.201 56.570 55.300 0.115 0.000 1.137 50 M CB -0.438 32.124 32.600 -0.063 0.000 1.378 50 M HN 0.150 nan 8.290 nan 0.000 0.426 51 A N 0.390 123.247 122.820 0.061 0.000 2.024 51 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 51 A C 2.021 179.686 177.584 0.135 0.000 1.164 51 A CA 1.459 53.602 52.037 0.176 0.000 0.643 51 A CB -0.693 18.455 19.000 0.246 0.000 0.806 51 A HN 0.505 nan 8.150 nan 0.000 0.451 52 M N -1.185 118.409 119.600 -0.010 0.000 2.460 52 M HA -0.071 4.409 4.480 -0.001 0.000 0.263 52 M C 0.861 176.939 176.300 -0.369 0.000 1.071 52 M CA 0.984 56.159 55.300 -0.207 0.000 1.096 52 M CB -0.234 32.153 32.600 -0.354 0.000 1.408 52 M HN 0.472 nan 8.290 nan 0.000 0.463 53 H N -2.743 116.397 119.070 0.117 0.000 2.923 53 H HA 0.197 4.752 4.556 -0.001 0.000 0.268 53 H C -0.709 174.699 175.328 0.133 0.000 1.148 53 H CA -0.225 55.908 56.048 0.142 0.000 1.146 53 H CB 0.263 30.134 29.762 0.181 0.000 1.607 53 H HN 0.226 nan 8.280 nan 0.000 0.566 54 Y N 1.635 121.934 120.300 -0.001 0.000 2.335 54 Y HA 0.416 4.965 4.550 -0.001 0.000 0.323 54 Y C -0.290 175.485 175.900 -0.208 0.000 1.224 54 Y CA -0.586 57.434 58.100 -0.133 0.000 1.241 54 Y CB 1.367 39.666 38.460 -0.268 0.000 1.235 54 Y HN -0.216 nan 8.280 nan 0.000 0.492 55 S N 2.368 117.439 115.700 -1.049 0.000 2.756 55 S HA 0.131 4.600 4.470 -0.001 0.000 0.303 55 S C 0.310 174.179 174.600 -1.219 0.000 1.135 55 S CA -0.334 57.377 58.200 -0.815 0.000 1.066 55 S CB 1.127 64.051 63.200 -0.459 0.000 1.008 55 S HN 0.771 nan 8.310 nan 0.000 0.482 56 S N 2.263 117.441 115.700 -0.869 0.000 2.555 56 S HA 0.007 4.476 4.470 -0.001 0.000 0.230 56 S C 0.515 174.936 174.600 -0.300 0.000 0.978 56 S CA 0.062 57.962 58.200 -0.499 0.000 0.934 56 S CB -0.351 62.812 63.200 -0.061 0.000 0.766 56 S HN 0.699 nan 8.310 nan 0.000 0.533 57 N N 1.706 120.226 118.700 -0.301 0.000 2.412 57 N HA 0.069 4.808 4.740 -0.001 0.000 0.258 57 N C 0.901 176.255 175.510 -0.261 0.000 1.236 57 N CA 0.244 53.156 53.050 -0.231 0.000 0.882 57 N CB 0.669 39.040 38.487 -0.195 0.000 1.066 57 N HN 0.300 nan 8.380 nan 0.000 0.465 58 I N 2.156 122.549 120.570 -0.294 0.000 2.423 58 I HA -0.251 3.918 4.170 -0.001 0.000 0.254 58 I C 1.217 177.142 176.117 -0.320 0.000 1.151 58 I CA 1.551 62.579 61.300 -0.453 0.000 1.421 58 I CB 0.234 37.908 38.000 -0.544 0.000 1.079 58 I HN 0.503 nan 8.210 nan 0.000 0.431 59 E N 0.023 120.103 120.200 -0.200 0.000 2.371 59 E HA 0.008 4.357 4.350 -0.001 0.000 0.194 59 E C 1.532 178.082 176.600 -0.084 0.000 1.012 59 E CA 0.682 57.013 56.400 -0.116 0.000 0.860 59 E CB 0.223 29.864 29.700 -0.098 0.000 0.811 59 E HN 0.492 nan 8.360 nan 0.000 0.502 60 L N -1.243 119.904 121.223 -0.126 0.000 2.781 60 L HA 0.394 4.734 4.340 -0.001 0.000 0.245 60 L C 1.938 178.722 176.870 -0.142 0.000 1.118 60 L CA 0.195 54.961 54.840 -0.124 0.000 0.918 60 L CB 0.073 42.026 42.059 -0.177 0.000 1.246 60 L HN 0.055 nan 8.230 nan 0.000 0.526 61 A N 1.214 123.942 122.820 -0.154 0.000 1.842 61 A HA -0.292 4.027 4.320 -0.001 0.000 0.217 61 A C 2.088 179.708 177.584 0.059 0.000 1.206 61 A CA 1.961 53.917 52.037 -0.135 0.000 0.630 61 A CB -0.984 18.005 19.000 -0.019 0.000 0.839 61 A HN 0.348 nan 8.150 nan 0.000 0.447 62 F N 1.203 121.188 119.950 0.057 0.000 2.087 62 F HA -0.236 4.290 4.527 -0.001 0.000 0.299 62 F C 2.687 178.516 175.800 0.049 0.000 1.100 62 F CA 2.232 60.275 58.000 0.071 0.000 1.226 62 F CB -0.252 38.799 39.000 0.086 0.000 0.983 62 F HN 0.208 nan 8.300 nan 0.000 0.479 63 S N -0.583 115.262 115.700 0.242 0.000 2.399 63 S HA -0.197 4.272 4.470 -0.001 0.000 0.231 63 S C 2.217 176.844 174.600 0.043 0.000 1.022 63 S CA 1.241 59.528 58.200 0.145 0.000 0.983 63 S CB -0.602 62.665 63.200 0.112 0.000 0.803 63 S HN 0.635 nan 8.310 nan 0.000 0.480 64 S N 1.182 116.876 115.700 -0.011 0.000 2.402 64 S HA -0.025 4.444 4.470 -0.001 0.000 0.229 64 S C 1.811 176.462 174.600 0.084 0.000 1.021 64 S CA 0.943 59.141 58.200 -0.003 0.000 0.974 64 S CB -0.526 62.576 63.200 -0.164 0.000 0.800 64 S HN 0.291 nan 8.310 nan 0.000 0.484 65 V N 1.943 121.864 119.914 0.010 0.000 2.548 65 V HA -0.034 4.086 4.120 -0.001 0.000 0.249 65 V C 2.923 178.956 176.094 -0.101 0.000 1.055 65 V CA 1.646 63.915 62.300 -0.052 0.000 1.065 65 V CB -0.695 31.026 31.823 -0.170 0.000 0.681 65 V HN 0.422 nan 8.190 nan 0.000 0.462 66 E N -0.005 120.125 120.200 -0.117 0.000 2.150 66 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 66 E C 2.124 178.733 176.600 0.015 0.000 0.985 66 E CA 1.471 57.843 56.400 -0.048 0.000 0.814 66 E CB -0.296 29.413 29.700 0.015 0.000 0.752 66 E HN 0.846 nan 8.360 nan 0.000 0.466 67 H N 0.378 119.418 119.070 -0.049 0.000 2.389 67 H HA 0.025 4.580 4.556 -0.001 0.000 0.299 67 H C 2.019 177.297 175.328 -0.082 0.000 1.081 67 H CA 1.444 57.462 56.048 -0.049 0.000 1.345 67 H CB -0.139 29.603 29.762 -0.035 0.000 1.393 67 H HN 0.063 nan 8.280 nan 0.000 0.520 68 I N -0.246 120.239 120.570 -0.141 0.000 2.353 68 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 68 I C 1.929 177.928 176.117 -0.196 0.000 1.119 68 I CA 0.726 61.892 61.300 -0.223 0.000 1.417 68 I CB -0.161 37.792 38.000 -0.079 0.000 1.078 68 I HN 0.338 nan 8.210 nan 0.000 0.421 69 M N 0.162 119.685 119.600 -0.129 0.000 2.175 69 M HA -0.140 4.340 4.480 -0.001 0.000 0.264 69 M C 2.239 178.508 176.300 -0.051 0.000 1.063 69 M CA 1.858 57.107 55.300 -0.086 0.000 1.119 69 M CB -0.910 31.649 32.600 -0.068 0.000 1.377 69 M HN 0.230 nan 8.290 nan 0.000 0.415 70 R N -0.684 119.764 120.500 -0.086 0.000 2.164 70 R HA 0.033 4.372 4.340 -0.001 0.000 0.198 70 R C 1.476 177.699 176.300 -0.129 0.000 1.028 70 R CA 0.628 56.684 56.100 -0.074 0.000 1.083 70 R CB 0.136 30.413 30.300 -0.039 0.000 1.026 70 R HN 0.275 nan 8.270 nan 0.000 0.514 71 D N 0.370 120.619 120.400 -0.252 0.000 2.327 71 D HA 0.029 4.669 4.640 -0.001 0.000 0.205 71 D C 0.197 176.194 176.300 -0.504 0.000 0.989 71 D CA 0.503 54.300 54.000 -0.339 0.000 0.873 71 D CB 0.449 41.041 40.800 -0.347 0.000 0.955 71 D HN -0.079 nan 8.370 nan 0.000 0.515 72 V N 3.304 122.883 119.914 -0.558 0.000 2.461 72 V HA 0.012 4.131 4.120 -0.001 0.000 0.275 72 V C 0.305 176.173 176.094 -0.376 0.000 1.047 72 V CA -0.575 61.373 62.300 -0.586 0.000 0.955 72 V CB 0.774 32.202 31.823 -0.658 0.000 0.988 72 V HN 0.191 nan 8.190 nan 0.000 0.471 73 H N 6.810 125.805 119.070 -0.126 0.000 3.107 73 H HA 0.051 4.606 4.556 -0.001 0.000 0.301 73 H C 1.110 176.384 175.328 -0.090 0.000 0.981 73 H CA 0.542 56.556 56.048 -0.056 0.000 1.443 73 H CB 0.040 29.784 29.762 -0.030 0.000 1.479 73 H HN 0.777 nan 8.280 nan 0.000 0.564 74 N N 1.651 120.363 118.700 0.020 0.000 2.778 74 N HA -0.169 4.570 4.740 -0.001 0.000 0.249 74 N C 1.557 176.873 175.510 -0.323 0.000 1.069 74 N CA 0.964 53.886 53.050 -0.213 0.000 0.831 74 N CB -1.386 37.013 38.487 -0.148 0.000 1.142 74 N HN 0.828 nan 8.380 nan 0.000 0.573 75 G N 0.237 108.916 108.800 -0.201 0.000 2.432 75 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.219 75 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.219 75 G C 1.216 175.988 174.900 -0.214 0.000 1.135 75 G CA 1.224 46.202 45.100 -0.203 0.000 0.767 75 G HN 0.683 nan 8.290 nan 0.000 0.550 76 Y N -0.036 120.157 120.300 -0.178 0.000 2.352 76 Y HA 0.199 4.749 4.550 -0.001 0.000 0.292 76 Y C 2.326 178.085 175.900 -0.235 0.000 1.136 76 Y CA 0.355 58.287 58.100 -0.280 0.000 1.227 76 Y CB -0.381 37.977 38.460 -0.169 0.000 0.991 76 Y HN 0.171 nan 8.280 nan 0.000 0.545 77 I N 0.436 120.526 120.570 -0.800 0.000 2.315 77 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 77 I C 2.270 178.222 176.117 -0.274 0.000 1.117 77 I CA 1.128 62.100 61.300 -0.547 0.000 1.404 77 I CB -0.348 37.310 38.000 -0.570 0.000 1.071 77 I HN 0.298 nan 8.210 nan 0.000 0.419 78 L N 0.104 121.182 121.223 -0.242 0.000 1.994 78 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 78 L C 2.843 179.676 176.870 -0.062 0.000 1.071 78 L CA 1.195 55.960 54.840 -0.125 0.000 0.745 78 L CB -0.660 41.339 42.059 -0.100 0.000 0.892 78 L HN 0.208 nan 8.230 nan 0.000 0.431 79 R N -0.351 120.075 120.500 -0.123 0.000 2.066 79 R HA -0.178 4.162 4.340 -0.001 0.000 0.232 79 R C 2.354 178.665 176.300 0.018 0.000 1.131 79 R CA 1.716 57.761 56.100 -0.092 0.000 0.955 79 R CB -0.478 29.684 30.300 -0.230 0.000 0.851 79 R HN 0.268 nan 8.270 nan 0.000 0.432 80 Y N 0.666 120.978 120.300 0.019 0.000 2.293 80 Y HA -0.101 4.449 4.550 -0.001 0.000 0.291 80 Y C 2.320 178.208 175.900 -0.021 0.000 1.137 80 Y CA 0.538 58.647 58.100 0.015 0.000 1.202 80 Y CB -0.561 37.883 38.460 -0.026 0.000 0.990 80 Y HN 0.018 nan 8.280 nan 0.000 0.537 81 L N -1.412 119.860 121.223 0.081 0.000 2.044 81 L HA -0.240 4.099 4.340 -0.001 0.000 0.205 81 L C 2.430 179.346 176.870 0.077 0.000 1.075 81 L CA 1.504 56.353 54.840 0.014 0.000 0.747 81 L CB -0.378 41.663 42.059 -0.029 0.000 0.903 81 L HN 0.216 nan 8.230 nan 0.000 0.435 82 H N -0.516 118.569 119.070 0.026 0.000 2.321 82 H HA -0.165 4.390 4.556 -0.001 0.000 0.300 82 H C 2.076 177.478 175.328 0.123 0.000 1.087 82 H CA 1.889 57.971 56.048 0.057 0.000 1.319 82 H CB 0.034 29.821 29.762 0.041 0.000 1.379 82 H HN 0.374 nan 8.280 nan 0.000 0.501 83 A N 0.461 123.422 122.820 0.235 0.000 1.845 83 A HA -0.189 4.131 4.320 -0.001 0.000 0.215 83 A C 2.289 180.022 177.584 0.247 0.000 1.195 83 A CA 1.705 53.891 52.037 0.249 0.000 0.616 83 A CB -0.525 18.656 19.000 0.303 0.000 0.832 83 A HN 0.557 nan 8.150 nan 0.000 0.443 84 N N -0.088 118.744 118.700 0.220 0.000 2.244 84 N HA -0.112 4.627 4.740 -0.001 0.000 0.183 84 N C 1.835 177.450 175.510 0.175 0.000 1.016 84 N CA 1.195 54.365 53.050 0.200 0.000 0.866 84 N CB -0.422 38.119 38.487 0.090 0.000 0.980 84 N HN 0.508 nan 8.380 nan 0.000 0.430 85 G N 0.996 109.835 108.800 0.066 0.000 2.442 85 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 85 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 85 G C 1.688 176.709 174.900 0.202 0.000 1.141 85 G CA 1.040 46.175 45.100 0.060 0.000 0.763 85 G HN 0.399 nan 8.290 nan 0.000 0.554 86 A N 0.793 123.725 122.820 0.186 0.000 1.877 86 A HA 0.004 4.323 4.320 -0.001 0.000 0.216 86 A C 2.717 180.528 177.584 0.378 0.000 1.186 86 A CA 2.264 54.444 52.037 0.239 0.000 0.620 86 A CB -0.720 18.400 19.000 0.200 0.000 0.822 86 A HN 0.306 nan 8.150 nan 0.000 0.443 87 S N -0.961 115.042 115.700 0.504 0.000 2.368 87 S HA -0.116 4.353 4.470 -0.001 0.000 0.225 87 S C 1.632 176.626 174.600 0.657 0.000 1.030 87 S CA 1.482 60.109 58.200 0.712 0.000 0.999 87 S CB -0.556 63.181 63.200 0.895 0.000 0.844 87 S HN 0.560 nan 8.310 nan 0.000 0.459 88 F N 0.337 120.470 119.950 0.305 0.000 2.171 88 F HA -0.082 4.444 4.527 -0.001 0.000 0.300 88 F C 2.139 178.168 175.800 0.381 0.000 1.090 88 F CA 0.739 58.898 58.000 0.264 0.000 1.293 88 F CB -0.260 38.785 39.000 0.074 0.000 1.013 88 F HN 0.180 nan 8.300 nan 0.000 0.486 89 F N 0.094 120.207 119.950 0.272 0.000 2.126 89 F HA -0.230 4.296 4.527 -0.001 0.000 0.299 89 F C 1.919 177.597 175.800 -0.204 0.000 1.096 89 F CA 1.386 59.369 58.000 -0.028 0.000 1.255 89 F CB -1.161 37.695 39.000 -0.239 0.000 0.997 89 F HN -0.088 nan 8.300 nan 0.000 0.479 90 F N -1.002 118.925 119.950 -0.039 0.000 2.259 90 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 90 F C 2.422 178.095 175.800 -0.211 0.000 1.088 90 F CA 1.252 59.013 58.000 -0.399 0.000 1.358 90 F CB -0.684 37.884 39.000 -0.720 0.000 1.040 90 F HN -0.014 nan 8.300 nan 0.000 0.505 91 M N -0.023 119.818 119.600 0.402 0.000 2.132 91 M HA -0.103 4.377 4.480 -0.001 0.000 0.263 91 M C 1.961 178.479 176.300 0.362 0.000 1.065 91 M CA 1.602 57.199 55.300 0.494 0.000 1.122 91 M CB -0.621 32.173 32.600 0.323 0.000 1.365 91 M HN -0.049 nan 8.290 nan 0.000 0.411 92 V N -0.088 120.011 119.914 0.308 0.000 2.427 92 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 92 V C 2.498 178.734 176.094 0.235 0.000 1.051 92 V CA 1.963 64.441 62.300 0.297 0.000 1.048 92 V CB -0.798 31.208 31.823 0.304 0.000 0.666 92 V HN 0.615 nan 8.190 nan 0.000 0.456 93 M N -0.893 118.774 119.600 0.111 0.000 2.175 93 M HA -0.142 4.337 4.480 -0.001 0.000 0.264 93 M C 2.011 178.380 176.300 0.116 0.000 1.063 93 M CA 1.982 57.295 55.300 0.022 0.000 1.119 93 M CB -0.142 32.313 32.600 -0.242 0.000 1.377 93 M HN 0.294 nan 8.290 nan 0.000 0.415 94 F N 0.327 120.403 119.950 0.210 0.000 2.171 94 F HA -0.166 4.361 4.527 -0.001 0.000 0.300 94 F C 2.153 178.038 175.800 0.142 0.000 1.090 94 F CA 1.401 59.498 58.000 0.161 0.000 1.293 94 F CB -0.875 38.285 39.000 0.268 0.000 1.013 94 F HN 0.165 nan 8.300 nan 0.000 0.486 95 M N -1.505 118.342 119.600 0.412 0.000 2.175 95 M HA -0.187 4.292 4.480 -0.001 0.000 0.264 95 M C 2.201 178.690 176.300 0.315 0.000 1.063 95 M CA 1.460 56.977 55.300 0.362 0.000 1.119 95 M CB -0.641 32.259 32.600 0.501 0.000 1.377 95 M HN 0.087 nan 8.290 nan 0.000 0.415 96 H N 0.447 119.635 119.070 0.197 0.000 2.321 96 H HA -0.053 4.503 4.556 -0.001 0.000 0.300 96 H C 1.836 177.231 175.328 0.113 0.000 1.087 96 H CA 2.036 58.165 56.048 0.136 0.000 1.319 96 H CB 0.022 29.846 29.762 0.102 0.000 1.379 96 H HN 0.236 nan 8.280 nan 0.000 0.501 97 M N -0.606 119.058 119.600 0.107 0.000 2.099 97 M HA -0.085 4.394 4.480 -0.001 0.000 0.262 97 M C 2.675 179.066 176.300 0.152 0.000 1.067 97 M CA 1.524 56.861 55.300 0.062 0.000 1.124 97 M CB -0.208 32.365 32.600 -0.044 0.000 1.353 97 M HN 0.406 nan 8.290 nan 0.000 0.410 98 A N 0.503 123.393 122.820 0.116 0.000 1.883 98 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 98 A C 2.218 179.838 177.584 0.059 0.000 1.186 98 A CA 1.891 53.998 52.037 0.117 0.000 0.624 98 A CB -0.751 18.277 19.000 0.047 0.000 0.822 98 A HN 0.335 nan 8.150 nan 0.000 0.444 99 K N 0.036 120.393 120.400 -0.072 0.000 2.074 99 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 99 K C 2.007 178.565 176.600 -0.070 0.000 1.048 99 K CA 1.997 58.176 56.287 -0.180 0.000 0.926 99 K CB -1.035 31.381 32.500 -0.140 0.000 0.713 99 K HN 0.405 nan 8.250 nan 0.000 0.444 100 G N 1.262 110.065 108.800 0.006 0.000 2.421 100 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 100 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 100 G C 1.600 176.541 174.900 0.068 0.000 1.171 100 G CA 0.667 45.815 45.100 0.079 0.000 0.775 100 G HN 0.242 nan 8.290 nan 0.000 0.543 101 L N -0.585 120.718 121.223 0.133 0.000 2.012 101 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 101 L C 2.469 179.340 176.870 0.001 0.000 1.073 101 L CA 1.499 56.414 54.840 0.126 0.000 0.748 101 L CB -1.118 41.055 42.059 0.189 0.000 0.891 101 L HN 0.361 nan 8.230 nan 0.000 0.431 102 Y N -0.898 119.159 120.300 -0.404 0.000 2.070 102 Y HA -0.327 4.223 4.550 -0.001 0.000 0.280 102 Y C 2.031 177.516 175.900 -0.692 0.000 1.148 102 Y CA 1.858 59.376 58.100 -0.971 0.000 1.125 102 Y CB -0.369 37.169 38.460 -1.536 0.000 0.975 102 Y HN 0.186 nan 8.280 nan 0.000 0.492 103 Y N 0.031 120.252 120.300 -0.132 0.000 2.471 103 Y HA 0.223 4.773 4.550 -0.001 0.000 0.286 103 Y C 1.615 177.377 175.900 -0.230 0.000 1.188 103 Y CA 0.142 58.175 58.100 -0.111 0.000 1.286 103 Y CB -0.091 38.398 38.460 0.049 0.000 1.072 103 Y HN 0.291 nan 8.280 nan 0.000 0.517 104 G N -0.028 108.613 108.800 -0.265 0.000 2.273 104 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.280 104 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.280 104 G C 0.960 175.384 174.900 -0.793 0.000 1.047 104 G CA 0.633 45.277 45.100 -0.759 0.000 0.869 104 G HN 0.412 nan 8.290 nan 0.000 0.502 105 S N -0.915 114.507 115.700 -0.463 0.000 2.507 105 S HA -0.039 4.430 4.470 -0.001 0.000 0.235 105 S C 1.849 176.242 174.600 -0.345 0.000 0.988 105 S CA 1.578 59.617 58.200 -0.267 0.000 0.944 105 S CB -0.315 62.840 63.200 -0.075 0.000 0.762 105 S HN 0.951 nan 8.310 nan 0.000 0.526 106 Y N 2.538 122.529 120.300 -0.515 0.000 2.519 106 Y HA 0.252 4.801 4.550 -0.001 0.000 0.287 106 Y C 0.916 176.536 175.900 -0.467 0.000 1.128 106 Y CA -0.669 56.982 58.100 -0.749 0.000 1.282 106 Y CB -0.529 36.888 38.460 -1.738 0.000 1.027 106 Y HN 0.111 nan 8.280 nan 0.000 0.551 107 R N 1.126 121.158 120.500 -0.781 0.000 2.583 107 R HA 0.285 4.625 4.340 -0.001 0.000 0.268 107 R C 0.298 176.419 176.300 -0.299 0.000 1.101 107 R CA -0.302 55.524 56.100 -0.456 0.000 1.180 107 R CB 0.336 30.344 30.300 -0.487 0.000 1.128 107 R HN 0.122 nan 8.270 nan 0.000 0.568 108 S N 1.168 116.729 115.700 -0.233 0.000 2.573 108 S HA 0.014 4.483 4.470 -0.001 0.000 0.297 108 S C -1.376 173.083 174.600 -0.234 0.000 1.280 108 S CA -0.934 57.148 58.200 -0.197 0.000 1.061 108 S CB 0.263 63.379 63.200 -0.140 0.000 0.812 108 S HN 0.624 nan 8.310 nan 0.000 0.500 109 P HA 0.250 nan 4.420 nan 0.000 0.249 109 P C -0.128 176.928 177.300 -0.406 0.000 1.583 109 P CA -0.103 62.728 63.100 -0.449 0.000 0.988 109 P CB 0.020 31.195 31.700 -0.876 0.000 1.530 110 R N 0.163 120.529 120.500 -0.222 0.000 2.552 110 R HA 0.101 4.440 4.340 -0.001 0.000 0.314 110 R C 1.829 178.148 176.300 0.032 0.000 1.041 110 R CA -0.038 56.019 56.100 -0.071 0.000 1.076 110 R CB 0.175 30.442 30.300 -0.056 0.000 1.290 110 R HN 0.078 nan 8.270 nan 0.000 0.563 111 V N -1.870 118.053 119.914 0.014 0.000 2.358 111 V HA -0.178 3.942 4.120 -0.001 0.000 0.246 111 V C 1.692 177.902 176.094 0.194 0.000 1.047 111 V CA 2.036 64.394 62.300 0.098 0.000 1.035 111 V CB -0.325 31.508 31.823 0.017 0.000 0.658 111 V HN 0.155 nan 8.190 nan 0.000 0.452 112 T N 1.425 116.071 114.554 0.154 0.000 2.720 112 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 112 T C 1.838 176.654 174.700 0.193 0.000 1.037 112 T CA 2.168 64.367 62.100 0.165 0.000 1.144 112 T CB -0.518 68.437 68.868 0.145 0.000 0.864 112 T HN 0.475 nan 8.240 nan 0.000 0.444 113 L N 0.620 121.956 121.223 0.188 0.000 2.012 113 L HA -0.051 4.288 4.340 -0.001 0.000 0.210 113 L C 2.145 179.207 176.870 0.319 0.000 1.073 113 L CA 1.763 56.713 54.840 0.184 0.000 0.748 113 L CB -0.861 41.263 42.059 0.108 0.000 0.891 113 L HN 0.496 nan 8.230 nan 0.000 0.431 114 W N 0.225 121.592 121.300 0.113 0.000 2.379 114 W HA -0.238 4.421 4.660 -0.001 0.000 0.307 114 W C 2.131 178.718 176.519 0.114 0.000 1.200 114 W CA 1.537 58.952 57.345 0.117 0.000 1.297 114 W CB -0.221 29.293 29.460 0.090 0.000 1.140 114 W HN 0.332 nan 8.180 nan 0.000 0.507 115 N N 0.628 119.464 118.700 0.227 0.000 2.166 115 N HA -0.164 4.575 4.740 -0.001 0.000 0.186 115 N C 1.688 177.225 175.510 0.045 0.000 1.019 115 N CA 1.833 54.943 53.050 0.101 0.000 0.856 115 N CB -0.964 37.620 38.487 0.161 0.000 0.993 115 N HN 0.043 nan 8.380 nan 0.000 0.426 116 V N 0.662 120.643 119.914 0.112 0.000 2.427 116 V HA -0.113 4.007 4.120 -0.001 0.000 0.248 116 V C 2.387 178.489 176.094 0.013 0.000 1.051 116 V CA 1.905 64.268 62.300 0.105 0.000 1.048 116 V CB -1.188 30.759 31.823 0.208 0.000 0.666 116 V HN 0.343 nan 8.190 nan 0.000 0.456 117 G N -0.033 108.764 108.800 -0.006 0.000 2.421 117 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.216 117 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.216 117 G C 1.667 176.423 174.900 -0.240 0.000 1.171 117 G CA 1.256 46.230 45.100 -0.209 0.000 0.775 117 G HN 0.387 nan 8.290 nan 0.000 0.543 118 V N 1.117 120.853 119.914 -0.297 0.000 2.407 118 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 118 V C 2.769 178.847 176.094 -0.027 0.000 1.055 118 V CA 1.459 63.643 62.300 -0.193 0.000 1.049 118 V CB -0.377 31.317 31.823 -0.216 0.000 0.662 118 V HN 0.397 nan 8.190 nan 0.000 0.455 119 I N -0.403 120.145 120.570 -0.037 0.000 2.179 119 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 119 I C 2.300 178.397 176.117 -0.033 0.000 1.088 119 I CA 1.870 63.162 61.300 -0.013 0.000 1.357 119 I CB -0.280 37.720 38.000 0.000 0.000 1.051 119 I HN 0.239 nan 8.210 nan 0.000 0.409 120 I N -0.060 120.471 120.570 -0.065 0.000 2.226 120 I HA -0.332 3.837 4.170 -0.001 0.000 0.245 120 I C 2.503 178.564 176.117 -0.094 0.000 1.100 120 I CA 1.364 62.602 61.300 -0.103 0.000 1.374 120 I CB -0.389 37.507 38.000 -0.174 0.000 1.057 120 I HN 0.179 nan 8.210 nan 0.000 0.413 121 F N 1.894 121.707 119.950 -0.228 0.000 2.095 121 F HA -0.236 4.291 4.527 -0.001 0.000 0.298 121 F C 2.255 177.955 175.800 -0.167 0.000 1.104 121 F CA 1.602 59.466 58.000 -0.226 0.000 1.232 121 F CB -0.427 38.463 39.000 -0.184 0.000 0.987 121 F HN -0.086 nan 8.300 nan 0.000 0.475 122 I N -0.118 120.332 120.570 -0.200 0.000 2.179 122 I HA -0.344 3.825 4.170 -0.001 0.000 0.242 122 I C 2.486 178.490 176.117 -0.189 0.000 1.088 122 I CA 1.410 62.561 61.300 -0.248 0.000 1.357 122 I CB -0.679 37.278 38.000 -0.071 0.000 1.051 122 I HN 0.164 nan 8.210 nan 0.000 0.409 123 L N 0.072 121.219 121.223 -0.126 0.000 2.042 123 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 123 L C 2.641 179.428 176.870 -0.139 0.000 1.076 123 L CA 1.657 56.438 54.840 -0.097 0.000 0.749 123 L CB -0.957 41.056 42.059 -0.076 0.000 0.893 123 L HN 0.303 nan 8.230 nan 0.000 0.432 124 T N -0.010 114.399 114.554 -0.242 0.000 2.777 124 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 124 T C 1.927 176.503 174.700 -0.206 0.000 1.040 124 T CA 1.199 63.087 62.100 -0.355 0.000 1.141 124 T CB -0.157 68.293 68.868 -0.697 0.000 0.868 124 T HN 0.197 nan 8.240 nan 0.000 0.444 125 I N 1.363 121.817 120.570 -0.194 0.000 2.226 125 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 125 I C 2.946 179.073 176.117 0.016 0.000 1.100 125 I CA 1.173 62.434 61.300 -0.065 0.000 1.374 125 I CB -0.501 37.288 38.000 -0.351 0.000 1.057 125 I HN 0.207 nan 8.210 nan 0.000 0.413 126 A N 0.295 123.114 122.820 -0.001 0.000 1.933 126 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 126 A C 2.367 180.051 177.584 0.166 0.000 1.175 126 A CA 2.319 54.431 52.037 0.124 0.000 0.628 126 A CB -0.990 18.060 19.000 0.084 0.000 0.814 126 A HN 0.372 nan 8.150 nan 0.000 0.444 127 T N 0.365 114.971 114.554 0.087 0.000 2.674 127 T HA -0.051 4.298 4.350 -0.001 0.000 0.265 127 T C 2.260 177.090 174.700 0.217 0.000 1.039 127 T CA 1.744 63.925 62.100 0.135 0.000 1.150 127 T CB -0.524 68.360 68.868 0.026 0.000 0.864 127 T HN 0.603 nan 8.240 nan 0.000 0.427 128 A N 1.197 124.123 122.820 0.176 0.000 1.940 128 A HA -0.070 4.250 4.320 -0.001 0.000 0.219 128 A C 2.023 179.710 177.584 0.172 0.000 1.176 128 A CA 1.648 53.808 52.037 0.206 0.000 0.631 128 A CB -0.929 18.223 19.000 0.253 0.000 0.814 128 A HN 0.547 nan 8.150 nan 0.000 0.446 129 F N 0.623 120.596 119.950 0.038 0.000 2.113 129 F HA -0.091 4.435 4.527 -0.001 0.000 0.297 129 F C 1.769 177.553 175.800 -0.026 0.000 1.103 129 F CA 1.627 59.632 58.000 0.008 0.000 1.248 129 F CB -0.586 38.389 39.000 -0.042 0.000 0.999 129 F HN 0.124 nan 8.300 nan 0.000 0.475 130 L N 0.522 121.359 121.223 -0.644 0.000 2.079 130 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 130 L C 2.854 179.365 176.870 -0.598 0.000 1.081 130 L CA 1.401 55.770 54.840 -0.786 0.000 0.752 130 L CB -1.628 40.230 42.059 -0.335 0.000 0.896 130 L HN 0.409 nan 8.230 nan 0.000 0.433 131 G N -1.186 107.195 108.800 -0.698 0.000 2.421 131 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.216 131 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.216 131 G C 1.475 176.209 174.900 -0.277 0.000 1.171 131 G CA 0.593 45.119 45.100 -0.957 0.000 0.775 131 G HN 0.267 nan 8.290 nan 0.000 0.543 132 Y N 0.965 121.129 120.300 -0.227 0.000 2.207 132 Y HA -0.191 4.358 4.550 -0.001 0.000 0.287 132 Y C 2.885 178.726 175.900 -0.098 0.000 1.156 132 Y CA 0.779 58.819 58.100 -0.100 0.000 1.182 132 Y CB -0.538 37.909 38.460 -0.022 0.000 0.979 132 Y HN 0.263 nan 8.280 nan 0.000 0.521 133 C N -1.445 117.780 119.300 -0.125 0.000 2.432 133 C HA -0.186 4.273 4.460 -0.001 0.000 0.280 133 C C 2.891 177.903 174.990 0.038 0.000 1.353 133 C CA 1.037 60.022 59.018 -0.055 0.000 1.766 133 C CB -1.772 25.957 27.740 -0.019 0.000 1.924 133 C HN 0.708 nan 8.230 nan 0.000 0.509 134 C N 0.028 119.319 119.300 -0.015 0.000 2.432 134 C HA -0.028 4.431 4.460 -0.001 0.000 0.282 134 C C 2.602 177.671 174.990 0.132 0.000 1.388 134 C CA 0.680 59.750 59.018 0.087 0.000 1.777 134 C CB -1.366 26.338 27.740 -0.060 0.000 1.882 134 C HN 0.554 nan 8.230 nan 0.000 0.520 135 V N -1.577 118.334 119.914 -0.004 0.000 2.548 135 V HA -0.128 3.991 4.120 -0.001 0.000 0.249 135 V C 1.264 177.452 176.094 0.155 0.000 1.055 135 V CA 1.353 63.637 62.300 -0.026 0.000 1.065 135 V CB -0.893 30.805 31.823 -0.209 0.000 0.681 135 V HN 0.572 nan 8.190 nan 0.000 0.462 136 Y N 0.687 120.985 120.300 -0.003 0.000 3.234 136 Y HA -0.179 4.370 4.550 -0.001 0.000 0.207 136 Y C 0.877 176.863 175.900 0.143 0.000 1.316 136 Y CA 0.180 58.311 58.100 0.052 0.000 1.309 136 Y CB -1.197 37.306 38.460 0.071 0.000 1.408 136 Y HN 0.273 nan 8.280 nan 0.000 0.544 137 G N 0.267 108.998 108.800 -0.116 0.000 2.510 137 G HA2 0.243 4.202 3.960 -0.001 0.000 0.280 137 G HA3 0.243 4.202 3.960 -0.001 0.000 0.280 137 G C 0.545 175.263 174.900 -0.303 0.000 1.386 137 G CA 0.082 45.132 45.100 -0.083 0.000 1.047 137 G HN 0.296 nan 8.290 nan 0.000 0.527 138 Q N -1.061 118.630 119.800 -0.183 0.000 2.172 138 Q HA -0.014 4.325 4.340 -0.001 0.000 0.200 138 Q C 2.693 178.701 176.000 0.012 0.000 0.964 138 Q CA 0.913 56.666 55.803 -0.084 0.000 0.855 138 Q CB -0.153 28.591 28.738 0.009 0.000 0.918 138 Q HN 0.424 nan 8.270 nan 0.000 0.444 139 M N -0.282 119.275 119.600 -0.073 0.000 2.254 139 M HA -0.049 4.431 4.480 -0.001 0.000 0.265 139 M C 2.104 178.418 176.300 0.023 0.000 1.066 139 M CA 0.896 56.209 55.300 0.021 0.000 1.123 139 M CB -0.837 31.791 32.600 0.047 0.000 1.388 139 M HN -0.007 nan 8.290 nan 0.000 0.425 140 S N -0.358 115.211 115.700 -0.219 0.000 2.353 140 S HA -0.206 4.264 4.470 -0.001 0.000 0.222 140 S C 1.867 176.407 174.600 -0.101 0.000 1.035 140 S CA 1.729 59.807 58.200 -0.203 0.000 1.025 140 S CB -0.624 62.412 63.200 -0.273 0.000 0.902 140 S HN 0.566 nan 8.310 nan 0.000 0.440 141 H N -0.162 118.669 119.070 -0.398 0.000 2.290 141 H HA -0.135 4.421 4.556 -0.001 0.000 0.298 141 H C 1.822 176.832 175.328 -0.531 0.000 1.087 141 H CA 2.107 57.828 56.048 -0.546 0.000 1.291 141 H CB -0.285 28.892 29.762 -0.974 0.000 1.369 141 H HN 0.477 nan 8.280 nan 0.000 0.492 142 W N 0.013 121.411 121.300 0.164 0.000 2.425 142 W HA 0.043 4.702 4.660 -0.001 0.000 0.277 142 W C 2.761 179.372 176.519 0.153 0.000 1.231 142 W CA 0.697 58.138 57.345 0.159 0.000 1.248 142 W CB -0.371 29.168 29.460 0.132 0.000 1.117 142 W HN 0.316 nan 8.180 nan 0.000 0.568 143 G N 0.376 109.349 108.800 0.288 0.000 2.402 143 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.216 143 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.216 143 G C 1.686 176.834 174.900 0.413 0.000 1.162 143 G CA 1.245 46.544 45.100 0.332 0.000 0.777 143 G HN 0.271 nan 8.290 nan 0.000 0.539 144 A N 0.433 123.488 122.820 0.392 0.000 1.908 144 A HA -0.041 4.278 4.320 -0.001 0.000 0.218 144 A C 2.537 180.376 177.584 0.425 0.000 1.181 144 A CA 2.539 54.897 52.037 0.536 0.000 0.627 144 A CB -0.978 18.211 19.000 0.315 0.000 0.818 144 A HN 0.310 nan 8.150 nan 0.000 0.445 145 T N -0.458 114.213 114.554 0.195 0.000 2.674 145 T HA -0.111 4.238 4.350 -0.001 0.000 0.265 145 T C 1.899 176.853 174.700 0.423 0.000 1.039 145 T CA 1.598 63.874 62.100 0.292 0.000 1.150 145 T CB -0.503 68.485 68.868 0.199 0.000 0.864 145 T HN 0.147 nan 8.240 nan 0.000 0.427 146 V N 1.403 121.529 119.914 0.353 0.000 2.295 146 V HA -0.115 4.005 4.120 -0.001 0.000 0.246 146 V C 2.436 178.650 176.094 0.200 0.000 1.049 146 V CA 1.486 63.953 62.300 0.278 0.000 1.024 146 V CB -0.590 31.379 31.823 0.243 0.000 0.648 146 V HN 0.468 nan 8.190 nan 0.000 0.447 147 I N 0.825 121.483 120.570 0.147 0.000 2.315 147 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 147 I C 2.699 178.915 176.117 0.166 0.000 1.117 147 I CA 1.969 63.255 61.300 -0.023 0.000 1.404 147 I CB -0.753 36.964 38.000 -0.473 0.000 1.071 147 I HN 0.523 nan 8.210 nan 0.000 0.419 148 T N -1.819 112.960 114.554 0.375 0.000 2.777 148 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 148 T C 1.733 176.665 174.700 0.386 0.000 1.040 148 T CA 1.028 63.421 62.100 0.489 0.000 1.141 148 T CB -0.477 68.751 68.868 0.599 0.000 0.868 148 T HN 0.199 nan 8.240 nan 0.000 0.444 149 N N 1.013 119.900 118.700 0.312 0.000 2.443 149 N HA 0.017 4.756 4.740 -0.001 0.000 0.184 149 N C 1.537 177.121 175.510 0.124 0.000 1.037 149 N CA 0.321 53.493 53.050 0.202 0.000 0.896 149 N CB -0.458 38.187 38.487 0.264 0.000 0.959 149 N HN 0.230 nan 8.380 nan 0.000 0.442 150 L N -0.052 121.211 121.223 0.066 0.000 2.127 150 L HA -0.094 4.245 4.340 -0.001 0.000 0.211 150 L C 1.317 178.040 176.870 -0.245 0.000 1.089 150 L CA 1.345 56.109 54.840 -0.128 0.000 0.757 150 L CB -0.782 41.105 42.059 -0.286 0.000 0.899 150 L HN 0.096 nan 8.230 nan 0.000 0.434 151 F N -1.413 118.575 119.950 0.064 0.000 2.780 151 F HA -0.029 4.498 4.527 -0.001 0.000 0.299 151 F C 2.460 178.259 175.800 -0.002 0.000 1.146 151 F CA 0.680 58.697 58.000 0.029 0.000 1.428 151 F CB -0.825 38.192 39.000 0.029 0.000 1.115 151 F HN 0.166 nan 8.300 nan 0.000 0.583 152 S N -0.172 115.592 115.700 0.105 0.000 2.603 152 S HA 0.038 4.507 4.470 -0.001 0.000 0.229 152 S C 1.968 176.582 174.600 0.022 0.000 0.972 152 S CA 0.518 58.749 58.200 0.051 0.000 0.935 152 S CB -0.417 62.805 63.200 0.038 0.000 0.769 152 S HN 0.232 nan 8.310 nan 0.000 0.536 153 A N 1.290 124.115 122.820 0.007 0.000 2.072 153 A HA 0.378 4.698 4.320 -0.001 0.000 0.216 153 A C 0.909 178.469 177.584 -0.040 0.000 1.156 153 A CA -0.050 51.974 52.037 -0.021 0.000 0.701 153 A CB -0.527 18.457 19.000 -0.027 0.000 0.816 153 A HN 0.608 nan 8.150 nan 0.000 0.458 154 I N 2.748 123.309 120.570 -0.016 0.000 2.668 154 I HA 0.068 4.237 4.170 -0.001 0.000 0.285 154 I C -1.884 174.183 176.117 -0.083 0.000 1.168 154 I CA -1.528 59.754 61.300 -0.030 0.000 1.424 154 I CB 0.666 38.684 38.000 0.030 0.000 1.377 154 I HN 0.174 nan 8.210 nan 0.000 0.560 155 P HA 0.055 nan 4.420 nan 0.000 0.268 155 P C 0.365 177.461 177.300 -0.340 0.000 1.205 155 P CA 0.245 63.085 63.100 -0.434 0.000 0.771 155 P CB 0.633 31.917 31.700 -0.693 0.000 0.858 156 F N -0.774 119.180 119.950 0.006 0.000 2.550 156 F HA -0.367 4.159 4.527 -0.001 0.000 0.715 156 F C 1.934 177.734 175.800 -0.001 0.000 0.486 156 F CA 1.663 59.664 58.000 0.002 0.000 0.724 156 F CB -1.969 37.029 39.000 -0.004 0.000 1.603 156 F HN 0.233 nan 8.300 nan 0.000 0.270 157 V N -0.108 119.917 119.914 0.186 0.000 3.510 157 V HA 0.268 4.387 4.120 -0.001 0.000 0.270 157 V C 1.961 178.084 176.094 0.049 0.000 1.201 157 V CA 1.460 63.810 62.300 0.085 0.000 1.166 157 V CB -0.897 30.953 31.823 0.045 0.000 0.825 157 V HN 0.718 nan 8.190 nan 0.000 0.484 158 G N 1.902 110.729 108.800 0.045 0.000 2.672 158 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.218 158 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.218 158 G C 1.355 176.273 174.900 0.030 0.000 1.238 158 G CA 1.439 46.561 45.100 0.038 0.000 0.791 158 G HN 0.556 nan 8.290 nan 0.000 0.606 159 N N 1.080 119.794 118.700 0.023 0.000 2.289 159 N HA -0.067 4.672 4.740 -0.001 0.000 0.184 159 N C 1.708 177.211 175.510 -0.011 0.000 1.016 159 N CA 1.248 54.298 53.050 -0.001 0.000 0.872 159 N CB -0.333 38.173 38.487 0.030 0.000 0.973 159 N HN 0.281 nan 8.380 nan 0.000 0.433 160 D N 0.682 121.093 120.400 0.018 0.000 2.117 160 D HA -0.034 4.606 4.640 -0.001 0.000 0.198 160 D C 1.966 178.287 176.300 0.035 0.000 0.982 160 D CA 0.399 54.413 54.000 0.023 0.000 0.828 160 D CB -0.044 40.763 40.800 0.012 0.000 0.967 160 D HN 0.108 nan 8.370 nan 0.000 0.464 161 I N 0.467 121.052 120.570 0.026 0.000 2.226 161 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 161 I C 2.455 178.617 176.117 0.076 0.000 1.100 161 I CA 0.681 62.029 61.300 0.081 0.000 1.374 161 I CB -1.314 36.718 38.000 0.054 0.000 1.057 161 I HN -0.045 nan 8.210 nan 0.000 0.413 162 V N 0.803 120.663 119.914 -0.091 0.000 2.255 162 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 162 V C 2.663 178.433 176.094 -0.540 0.000 1.051 162 V CA 2.125 64.178 62.300 -0.412 0.000 1.018 162 V CB -0.902 30.574 31.823 -0.579 0.000 0.641 162 V HN 0.371 nan 8.190 nan 0.000 0.445 163 S N -1.380 114.159 115.700 -0.268 0.000 2.383 163 S HA -0.277 4.192 4.470 -0.001 0.000 0.229 163 S C 1.499 176.147 174.600 0.079 0.000 1.030 163 S CA 2.034 60.209 58.200 -0.042 0.000 1.002 163 S CB -0.478 62.756 63.200 0.055 0.000 0.829 163 S HN 0.790 nan 8.310 nan 0.000 0.467 164 W N 2.160 123.404 121.300 -0.093 0.000 2.379 164 W HA 0.026 4.685 4.660 -0.001 0.000 0.307 164 W C 1.620 178.120 176.519 -0.032 0.000 1.200 164 W CA 0.826 58.138 57.345 -0.054 0.000 1.297 164 W CB -0.526 28.897 29.460 -0.061 0.000 1.140 164 W HN 0.175 nan 8.180 nan 0.000 0.507 165 L N -0.589 120.574 121.223 -0.098 0.000 2.083 165 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 165 L C 2.344 179.172 176.870 -0.070 0.000 1.083 165 L CA 1.269 55.978 54.840 -0.218 0.000 0.752 165 L CB -1.044 40.998 42.059 -0.028 0.000 0.899 165 L HN 0.085 nan 8.230 nan 0.000 0.433 166 W N -0.007 121.223 121.300 -0.117 0.000 2.418 166 W HA 0.115 4.774 4.660 -0.001 0.000 0.292 166 W C 1.809 178.202 176.519 -0.211 0.000 1.213 166 W CA 1.034 58.280 57.345 -0.164 0.000 1.283 166 W CB -1.136 28.286 29.460 -0.063 0.000 1.119 166 W HN 0.338 nan 8.180 nan 0.000 0.542 167 G N 0.362 109.187 108.800 0.043 0.000 2.160 167 G HA2 0.093 4.052 3.960 -0.001 0.000 0.244 167 G HA3 0.093 4.052 3.960 -0.001 0.000 0.244 167 G C 0.430 175.301 174.900 -0.048 0.000 1.022 167 G CA 0.490 45.557 45.100 -0.055 0.000 0.741 167 G HN 0.768 nan 8.290 nan 0.000 0.508 168 G N -2.354 106.457 108.800 0.018 0.000 2.335 168 G HA2 0.518 4.478 3.960 -0.001 0.000 0.291 168 G HA3 0.518 4.478 3.960 -0.001 0.000 0.291 168 G C 0.178 175.108 174.900 0.051 0.000 1.261 168 G CA 0.217 45.244 45.100 -0.122 0.000 0.871 168 G HN 0.370 nan 8.290 nan 0.000 0.491 169 F N 1.676 121.727 119.950 0.168 0.000 2.407 169 F HA 0.334 4.860 4.527 -0.001 0.000 0.299 169 F C 1.769 177.666 175.800 0.161 0.000 1.097 169 F CA 0.847 58.969 58.000 0.203 0.000 1.422 169 F CB -0.015 39.048 39.000 0.105 0.000 1.067 169 F HN 0.693 nan 8.300 nan 0.000 0.539 170 S N -2.571 113.133 115.700 0.006 0.000 2.636 170 S HA 0.434 4.904 4.470 -0.001 0.000 0.268 170 S C -1.009 173.031 174.600 -0.934 0.000 1.159 170 S CA -1.239 56.490 58.200 -0.786 0.000 0.815 170 S CB 0.997 63.974 63.200 -0.372 0.000 1.130 170 S HN -0.281 nan 8.310 nan 0.000 0.471 171 V N 3.040 122.183 119.914 -1.284 0.000 2.434 171 V HA 0.447 4.567 4.120 -0.001 0.000 0.281 171 V C 0.738 176.574 176.094 -0.430 0.000 1.005 171 V CA 1.222 63.003 62.300 -0.865 0.000 1.089 171 V CB -0.850 30.445 31.823 -0.881 0.000 0.978 171 V HN 1.118 nan 8.190 nan 0.000 0.474 172 S N 3.502 118.999 115.700 -0.338 0.000 2.973 172 S HA 0.301 4.770 4.470 -0.001 0.000 0.317 172 S C 1.070 175.510 174.600 -0.267 0.000 1.196 172 S CA -0.150 57.907 58.200 -0.240 0.000 0.894 172 S CB 1.026 64.128 63.200 -0.163 0.000 1.292 172 S HN 0.478 nan 8.310 nan 0.000 0.614 173 N N 1.830 120.394 118.700 -0.228 0.000 2.036 173 N HA -0.121 4.618 4.740 -0.001 0.000 0.199 173 N C -1.089 174.303 175.510 -0.197 0.000 1.036 173 N CA 2.337 55.257 53.050 -0.217 0.000 0.870 173 N CB -1.236 37.152 38.487 -0.165 0.000 1.055 173 N HN 0.383 nan 8.380 nan 0.000 0.436 174 P HA -0.070 nan 4.420 nan 0.000 0.218 174 P C 1.038 178.199 177.300 -0.231 0.000 1.148 174 P CA 1.557 64.558 63.100 -0.165 0.000 0.822 174 P CB -0.142 31.473 31.700 -0.143 0.000 0.784 175 T N -0.808 113.557 114.554 -0.315 0.000 2.770 175 T HA -0.058 4.292 4.350 -0.001 0.000 0.263 175 T C 1.708 176.037 174.700 -0.618 0.000 1.039 175 T CA 0.873 62.634 62.100 -0.565 0.000 1.142 175 T CB -0.699 67.823 68.868 -0.576 0.000 0.868 175 T HN -0.053 nan 8.240 nan 0.000 0.435 176 I N 1.998 122.356 120.570 -0.353 0.000 2.226 176 I HA -0.115 4.055 4.170 -0.001 0.000 0.245 176 I C 2.602 178.724 176.117 0.008 0.000 1.100 176 I CA 1.292 62.503 61.300 -0.148 0.000 1.374 176 I CB -1.381 36.508 38.000 -0.184 0.000 1.057 176 I HN 0.356 nan 8.210 nan 0.000 0.413 177 Q N 0.505 120.281 119.800 -0.041 0.000 2.084 177 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 177 Q C 2.319 178.397 176.000 0.131 0.000 0.978 177 Q CA 1.561 57.404 55.803 0.068 0.000 0.844 177 Q CB -0.256 28.480 28.738 -0.004 0.000 0.898 177 Q HN 0.618 nan 8.270 nan 0.000 0.426 178 R N -0.346 120.170 120.500 0.027 0.000 2.090 178 R HA -0.074 4.265 4.340 -0.001 0.000 0.228 178 R C 1.835 178.285 176.300 0.251 0.000 1.110 178 R CA 1.125 57.267 56.100 0.069 0.000 0.973 178 R CB -0.448 29.830 30.300 -0.037 0.000 0.869 178 R HN 0.073 nan 8.270 nan 0.000 0.440 179 F N 1.049 121.024 119.950 0.042 0.000 2.216 179 F HA -0.066 4.460 4.527 -0.001 0.000 0.300 179 F C 2.113 177.987 175.800 0.123 0.000 1.085 179 F CA 0.192 58.212 58.000 0.034 0.000 1.326 179 F CB -0.951 38.027 39.000 -0.036 0.000 1.027 179 F HN -0.009 nan 8.300 nan 0.000 0.497 180 F N 0.552 120.651 119.950 0.248 0.000 2.146 180 F HA -0.039 4.487 4.527 -0.001 0.000 0.298 180 F C 2.335 178.287 175.800 0.253 0.000 1.096 180 F CA 1.404 59.547 58.000 0.239 0.000 1.275 180 F CB -0.292 38.888 39.000 0.299 0.000 1.008 180 F HN -0.104 nan 8.300 nan 0.000 0.480 181 A N 0.507 123.344 122.820 0.027 0.000 1.908 181 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 181 A C 1.959 179.515 177.584 -0.046 0.000 1.181 181 A CA 1.677 53.654 52.037 -0.099 0.000 0.627 181 A CB -0.993 18.007 19.000 0.000 0.000 0.818 181 A HN 0.420 nan 8.150 nan 0.000 0.445 182 L N -1.131 120.122 121.223 0.050 0.000 2.240 182 L HA -0.048 4.291 4.340 -0.001 0.000 0.211 182 L C 2.210 179.120 176.870 0.068 0.000 1.106 182 L CA 2.000 56.875 54.840 0.058 0.000 0.793 182 L CB -1.550 40.557 42.059 0.080 0.000 0.927 182 L HN 0.661 nan 8.230 nan 0.000 0.446 183 H N -1.673 117.374 119.070 -0.038 0.000 2.387 183 H HA -0.230 4.325 4.556 -0.001 0.000 0.299 183 H C 2.170 177.475 175.328 -0.038 0.000 1.090 183 H CA 1.784 57.804 56.048 -0.047 0.000 1.332 183 H CB -0.157 29.592 29.762 -0.023 0.000 1.386 183 H HN 0.385 nan 8.280 nan 0.000 0.516 184 Y N -0.581 119.557 120.300 -0.270 0.000 2.314 184 Y HA -0.122 4.428 4.550 -0.001 0.000 0.293 184 Y C 2.442 178.311 175.900 -0.053 0.000 1.129 184 Y CA 0.628 58.574 58.100 -0.257 0.000 1.201 184 Y CB 0.150 38.394 38.460 -0.361 0.000 0.999 184 Y HN 0.262 nan 8.280 nan 0.000 0.541 185 L N -0.684 120.646 121.223 0.178 0.000 2.044 185 L HA -0.147 4.192 4.340 -0.001 0.000 0.205 185 L C 2.089 179.047 176.870 0.147 0.000 1.075 185 L CA 1.161 56.108 54.840 0.179 0.000 0.747 185 L CB -0.609 41.490 42.059 0.067 0.000 0.903 185 L HN 0.142 nan 8.230 nan 0.000 0.435 186 V N 1.069 121.010 119.914 0.045 0.000 2.392 186 V HA -0.172 3.947 4.120 -0.001 0.000 0.249 186 V C -0.285 175.779 176.094 -0.049 0.000 1.059 186 V CA 1.796 64.099 62.300 0.006 0.000 1.051 186 V CB -1.887 29.934 31.823 -0.004 0.000 0.658 186 V HN 0.352 nan 8.190 nan 0.000 0.455 187 P HA -0.133 nan 4.420 nan 0.000 0.219 187 P C 1.484 178.588 177.300 -0.327 0.000 1.146 187 P CA 1.523 64.453 63.100 -0.283 0.000 0.808 187 P CB -0.129 31.300 31.700 -0.452 0.000 0.779 188 F N -1.690 118.246 119.950 -0.023 0.000 2.367 188 F HA 0.005 4.532 4.527 -0.001 0.000 0.298 188 F C 2.167 177.956 175.800 -0.019 0.000 1.094 188 F CA 0.685 58.676 58.000 -0.016 0.000 1.409 188 F CB -0.626 38.372 39.000 -0.004 0.000 1.064 188 F HN -0.166 nan 8.300 nan 0.000 0.528 189 I N -0.244 120.398 120.570 0.120 0.000 2.353 189 I HA -0.254 3.915 4.170 -0.001 0.000 0.248 189 I C 2.168 178.298 176.117 0.022 0.000 1.119 189 I CA 1.233 62.573 61.300 0.066 0.000 1.417 189 I CB -0.349 37.678 38.000 0.045 0.000 1.078 189 I HN 0.087 nan 8.210 nan 0.000 0.421 190 I N 0.937 121.496 120.570 -0.018 0.000 2.226 190 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 190 I C 2.822 178.922 176.117 -0.028 0.000 1.100 190 I CA 1.313 62.587 61.300 -0.043 0.000 1.374 190 I CB -0.451 37.503 38.000 -0.077 0.000 1.057 190 I HN 0.163 nan 8.210 nan 0.000 0.413 191 A N 0.766 123.568 122.820 -0.030 0.000 1.908 191 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 191 A C 2.532 180.125 177.584 0.015 0.000 1.181 191 A CA 1.994 54.022 52.037 -0.014 0.000 0.627 191 A CB -0.828 18.168 19.000 -0.006 0.000 0.818 191 A HN 0.444 nan 8.150 nan 0.000 0.445 192 A N -0.997 121.844 122.820 0.036 0.000 1.898 192 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 192 A C 2.155 179.758 177.584 0.032 0.000 1.181 192 A CA 1.828 53.886 52.037 0.036 0.000 0.620 192 A CB -0.440 18.586 19.000 0.044 0.000 0.819 192 A HN 0.432 nan 8.150 nan 0.000 0.442 193 M N -0.406 119.210 119.600 0.026 0.000 2.229 193 M HA -0.069 4.410 4.480 -0.001 0.000 0.264 193 M C 2.135 178.468 176.300 0.056 0.000 1.063 193 M CA 1.057 56.377 55.300 0.033 0.000 1.114 193 M CB -1.191 31.413 32.600 0.006 0.000 1.387 193 M HN 0.234 nan 8.290 nan 0.000 0.420 194 V N 0.579 120.514 119.914 0.034 0.000 2.490 194 V HA -0.244 3.876 4.120 -0.001 0.000 0.250 194 V C 2.357 178.518 176.094 0.110 0.000 1.061 194 V CA 1.392 63.732 62.300 0.067 0.000 1.064 194 V CB -0.553 31.282 31.823 0.020 0.000 0.670 194 V HN 0.371 nan 8.190 nan 0.000 0.461 195 I N -0.914 119.689 120.570 0.055 0.000 2.252 195 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 195 I C 2.442 178.599 176.117 0.066 0.000 1.102 195 I CA 1.593 62.907 61.300 0.023 0.000 1.385 195 I CB -0.231 37.760 38.000 -0.015 0.000 1.064 195 I HN 0.268 nan 8.210 nan 0.000 0.414 196 M N -0.606 119.047 119.600 0.088 0.000 2.175 196 M HA -0.228 4.252 4.480 -0.001 0.000 0.264 196 M C 2.399 178.797 176.300 0.163 0.000 1.063 196 M CA 1.623 56.987 55.300 0.107 0.000 1.119 196 M CB -0.691 31.966 32.600 0.094 0.000 1.377 196 M HN 0.262 nan 8.290 nan 0.000 0.415 197 H N 0.969 120.085 119.070 0.076 0.000 2.293 197 H HA -0.075 4.481 4.556 -0.001 0.000 0.300 197 H C 1.783 177.195 175.328 0.139 0.000 1.082 197 H CA 1.875 57.984 56.048 0.102 0.000 1.308 197 H CB -0.208 29.607 29.762 0.089 0.000 1.375 197 H HN 0.242 nan 8.280 nan 0.000 0.495 198 L N -0.631 120.702 121.223 0.183 0.000 2.131 198 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 198 L C 2.567 179.605 176.870 0.280 0.000 1.092 198 L CA 1.205 56.164 54.840 0.198 0.000 0.759 198 L CB -0.364 41.810 42.059 0.193 0.000 0.903 198 L HN 0.382 nan 8.230 nan 0.000 0.435 199 M N -0.667 119.058 119.600 0.208 0.000 2.132 199 M HA -0.157 4.322 4.480 -0.001 0.000 0.263 199 M C 2.438 178.838 176.300 0.166 0.000 1.065 199 M CA 1.863 57.292 55.300 0.216 0.000 1.122 199 M CB -0.353 32.328 32.600 0.135 0.000 1.365 199 M HN 0.300 nan 8.290 nan 0.000 0.411 200 A N -0.114 122.778 122.820 0.121 0.000 2.014 200 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 200 A C 2.024 179.664 177.584 0.093 0.000 1.163 200 A CA 0.932 53.031 52.037 0.103 0.000 0.652 200 A CB -0.597 18.467 19.000 0.107 0.000 0.808 200 A HN 0.454 nan 8.150 nan 0.000 0.449 201 L N -1.086 120.171 121.223 0.056 0.000 2.056 201 L HA -0.090 4.249 4.340 -0.001 0.000 0.207 201 L C 2.230 179.136 176.870 0.060 0.000 1.078 201 L CA 2.689 57.555 54.840 0.044 0.000 0.749 201 L CB -0.842 41.223 42.059 0.010 0.000 0.901 201 L HN 0.530 nan 8.230 nan 0.000 0.433 202 H N 0.184 119.229 119.070 -0.042 0.000 2.352 202 H HA -0.170 4.385 4.556 -0.001 0.000 0.299 202 H C 2.128 177.357 175.328 -0.165 0.000 1.097 202 H CA 2.543 58.490 56.048 -0.168 0.000 1.311 202 H CB -0.307 29.268 29.762 -0.311 0.000 1.377 202 H HN 0.603 nan 8.280 nan 0.000 0.504 203 I N -2.758 117.745 120.570 -0.112 0.000 2.676 203 I HA -0.113 4.057 4.170 -0.001 0.000 0.259 203 I C 1.147 177.013 176.117 -0.419 0.000 1.194 203 I CA 1.670 62.802 61.300 -0.280 0.000 1.473 203 I CB -0.306 37.511 38.000 -0.306 0.000 1.096 203 I HN 0.219 nan 8.210 nan 0.000 0.443 204 H N 0.963 119.986 119.070 -0.078 0.000 2.874 204 H HA 0.443 4.999 4.556 -0.001 0.000 0.264 204 H C 1.177 176.445 175.328 -0.101 0.000 1.007 204 H CA 0.367 56.369 56.048 -0.076 0.000 1.207 204 H CB 0.740 30.476 29.762 -0.043 0.000 1.487 204 H HN 0.531 nan 8.280 nan 0.000 0.505 205 G N 0.561 109.336 108.800 -0.043 0.000 2.855 205 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.352 205 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.352 205 G C -0.182 174.713 174.900 -0.009 0.000 1.415 205 G CA -0.202 44.847 45.100 -0.085 0.000 0.871 205 G HN 0.294 nan 8.290 nan 0.000 0.543 206 S N -0.763 114.924 115.700 -0.022 0.000 2.614 206 S HA 0.646 5.115 4.470 -0.001 0.000 0.265 206 S C 0.961 175.577 174.600 0.027 0.000 1.303 206 S CA 0.463 58.703 58.200 0.066 0.000 1.000 206 S CB 1.569 64.808 63.200 0.064 0.000 0.935 206 S HN 1.180 nan 8.310 nan 0.000 0.551 207 S N 0.893 116.688 115.700 0.158 0.000 2.623 207 S HA 0.508 4.977 4.470 -0.001 0.000 0.278 207 S C -0.407 174.131 174.600 -0.104 0.000 1.148 207 S CA -0.827 57.419 58.200 0.078 0.000 1.028 207 S CB 0.119 63.422 63.200 0.170 0.000 1.145 207 S HN 0.900 nan 8.310 nan 0.000 0.523 208 N N -0.232 118.371 118.700 -0.161 0.000 2.732 208 N HA 0.340 5.080 4.740 -0.001 0.000 0.259 208 N C -2.765 172.543 175.510 -0.336 0.000 1.402 208 N CA -1.462 51.243 53.050 -0.574 0.000 0.829 208 N CB 1.348 39.584 38.487 -0.419 0.000 1.495 208 N HN 0.246 nan 8.380 nan 0.000 0.511 209 P HA -0.027 nan 4.420 nan 0.000 0.222 209 P C 1.258 178.594 177.300 0.061 0.000 1.147 209 P CA 0.827 63.825 63.100 -0.170 0.000 0.790 209 P CB 0.352 31.986 31.700 -0.110 0.000 0.780 210 L N -1.588 119.638 121.223 0.005 0.000 2.492 210 L HA 0.150 4.489 4.340 -0.001 0.000 0.223 210 L C 1.864 178.823 176.870 0.149 0.000 1.132 210 L CA 0.884 55.789 54.840 0.108 0.000 0.850 210 L CB -1.147 40.991 42.059 0.132 0.000 0.966 210 L HN 0.105 nan 8.230 nan 0.000 0.454 211 G N 1.437 110.289 108.800 0.086 0.000 2.168 211 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.263 211 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.263 211 G C 0.418 175.333 174.900 0.026 0.000 0.977 211 G CA 0.867 46.008 45.100 0.067 0.000 0.659 211 G HN 0.506 nan 8.290 nan 0.000 0.533 212 I N -3.060 117.523 120.570 0.022 0.000 3.217 212 I HA 0.807 4.976 4.170 -0.001 0.000 0.308 212 I C 0.737 176.834 176.117 -0.034 0.000 1.091 212 I CA -0.607 60.688 61.300 -0.008 0.000 1.013 212 I CB 1.248 39.249 38.000 0.002 0.000 1.250 212 I HN 0.029 nan 8.210 nan 0.000 0.496 213 T N 0.960 115.489 114.554 -0.040 0.000 2.934 213 T HA 0.207 4.557 4.350 -0.001 0.000 0.306 213 T C 0.910 175.575 174.700 -0.058 0.000 1.042 213 T CA 0.581 62.652 62.100 -0.048 0.000 1.145 213 T CB 0.341 69.183 68.868 -0.043 0.000 0.982 213 T HN 0.891 nan 8.240 nan 0.000 0.544 214 G N 3.719 112.476 108.800 -0.072 0.000 3.126 214 G HA2 0.017 3.976 3.960 -0.001 0.000 0.224 214 G HA3 0.017 3.976 3.960 -0.001 0.000 0.224 214 G C 1.346 176.201 174.900 -0.075 0.000 1.142 214 G CA -0.306 44.742 45.100 -0.088 0.000 0.759 214 G HN 0.679 nan 8.290 nan 0.000 0.550 215 N N 0.737 119.401 118.700 -0.061 0.000 2.364 215 N HA -0.058 4.682 4.740 -0.001 0.000 0.183 215 N C 1.600 177.082 175.510 -0.047 0.000 1.022 215 N CA 0.604 53.622 53.050 -0.053 0.000 0.883 215 N CB -0.012 38.449 38.487 -0.044 0.000 0.965 215 N HN 0.239 nan 8.380 nan 0.000 0.438 216 L N -0.382 120.814 121.223 -0.046 0.000 2.492 216 L HA 0.135 4.475 4.340 -0.001 0.000 0.223 216 L C -0.044 176.801 176.870 -0.042 0.000 1.132 216 L CA 0.713 55.529 54.840 -0.040 0.000 0.850 216 L CB -0.112 41.925 42.059 -0.036 0.000 0.966 216 L HN -0.080 nan 8.230 nan 0.000 0.454 217 D N -0.016 120.353 120.400 -0.051 0.000 2.445 217 D HA 0.211 4.851 4.640 -0.001 0.000 0.236 217 D C -0.673 175.589 176.300 -0.063 0.000 1.315 217 D CA -0.338 53.630 54.000 -0.054 0.000 0.924 217 D CB 0.769 41.535 40.800 -0.056 0.000 1.447 217 D HN -0.166 nan 8.370 nan 0.000 0.532 218 R N 2.242 122.709 120.500 -0.054 0.000 2.604 218 R HA 0.731 5.071 4.340 -0.001 0.000 0.287 218 R C 0.080 176.364 176.300 -0.028 0.000 0.970 218 R CA -0.877 55.194 56.100 -0.049 0.000 0.946 218 R CB 1.335 31.606 30.300 -0.048 0.000 1.127 218 R HN 0.489 nan 8.270 nan 0.000 0.473 219 I N -1.672 118.903 120.570 0.007 0.000 2.689 219 I HA 0.545 4.714 4.170 -0.001 0.000 0.299 219 I C -2.653 173.573 176.117 0.181 0.000 1.059 219 I CA -3.188 58.130 61.300 0.029 0.000 1.055 219 I CB 2.412 40.296 38.000 -0.193 0.000 1.243 219 I HN 0.159 nan 8.210 nan 0.000 0.425 220 P HA 0.082 nan 4.420 nan 0.000 0.267 220 P C 0.423 177.966 177.300 0.404 0.000 1.200 220 P CA -0.268 62.998 63.100 0.276 0.000 0.772 220 P CB 0.581 32.436 31.700 0.258 0.000 0.855 221 M N 3.078 122.869 119.600 0.318 0.000 2.086 221 M HA -0.144 4.336 4.480 -0.001 0.000 0.261 221 M C 0.750 177.282 176.300 0.386 0.000 1.067 221 M CA 1.698 57.222 55.300 0.374 0.000 1.116 221 M CB -1.176 31.558 32.600 0.224 0.000 1.348 221 M HN 0.343 nan 8.290 nan 0.000 0.407 222 H N 0.282 119.469 119.070 0.195 0.000 2.848 222 H HA 0.320 4.875 4.556 -0.001 0.000 0.317 222 H C 0.706 176.066 175.328 0.053 0.000 1.046 222 H CA 0.641 56.764 56.048 0.125 0.000 1.470 222 H CB 0.506 30.321 29.762 0.088 0.000 1.483 222 H HN 0.593 nan 8.280 nan 0.000 0.548 223 S N 2.137 117.608 115.700 -0.382 0.000 2.512 223 S HA -0.310 4.160 4.470 -0.001 0.000 0.252 223 S C 1.491 176.027 174.600 -0.107 0.000 1.147 223 S CA 0.887 58.888 58.200 -0.332 0.000 2.484 223 S CB -1.769 60.950 63.200 -0.803 0.000 0.785 223 S HN 0.726 nan 8.310 nan 0.000 0.482 224 Y N 1.152 121.398 120.300 -0.091 0.000 1.993 224 Y HA -0.179 4.370 4.550 -0.001 0.000 0.267 224 Y C 2.277 177.949 175.900 -0.379 0.000 1.155 224 Y CA 2.415 60.338 58.100 -0.295 0.000 1.105 224 Y CB -0.488 37.697 38.460 -0.458 0.000 0.960 224 Y HN 0.446 nan 8.280 nan 0.000 0.486 225 F N -1.607 118.471 119.950 0.212 0.000 2.664 225 F HA -0.059 4.468 4.527 -0.001 0.000 0.296 225 F C 2.003 177.857 175.800 0.091 0.000 1.125 225 F CA 0.095 58.169 58.000 0.124 0.000 1.444 225 F CB -0.183 38.872 39.000 0.092 0.000 1.114 225 F HN 0.067 nan 8.300 nan 0.000 0.576 226 I N -0.672 120.023 120.570 0.207 0.000 2.202 226 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 226 I C 2.079 178.127 176.117 -0.116 0.000 1.091 226 I CA 1.767 63.093 61.300 0.042 0.000 1.368 226 I CB -1.106 36.926 38.000 0.052 0.000 1.058 226 I HN 0.102 nan 8.210 nan 0.000 0.410 227 F N 0.996 120.968 119.950 0.036 0.000 2.456 227 F HA -0.059 4.467 4.527 -0.001 0.000 0.298 227 F C 2.514 178.342 175.800 0.047 0.000 1.104 227 F CA 0.886 58.901 58.000 0.024 0.000 1.435 227 F CB -0.270 38.723 39.000 -0.013 0.000 1.078 227 F HN -0.011 nan 8.300 nan 0.000 0.546 228 K N 0.343 120.848 120.400 0.174 0.000 2.103 228 K HA -0.134 4.185 4.320 -0.001 0.000 0.204 228 K C 1.405 178.126 176.600 0.201 0.000 1.052 228 K CA 1.488 57.868 56.287 0.156 0.000 0.945 228 K CB -0.047 32.453 32.500 -0.001 0.000 0.722 228 K HN 0.039 nan 8.250 nan 0.000 0.443 229 D N 0.936 121.424 120.400 0.147 0.000 2.178 229 D HA -0.147 4.492 4.640 -0.001 0.000 0.202 229 D C 1.756 178.065 176.300 0.015 0.000 0.974 229 D CA 0.588 54.651 54.000 0.105 0.000 0.841 229 D CB -0.032 40.808 40.800 0.067 0.000 0.953 229 D HN 0.114 nan 8.370 nan 0.000 0.478 230 L N 0.442 121.638 121.223 -0.046 0.000 2.083 230 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 230 L C 2.245 179.060 176.870 -0.091 0.000 1.083 230 L CA 1.028 55.745 54.840 -0.204 0.000 0.752 230 L CB -0.318 41.629 42.059 -0.187 0.000 0.899 230 L HN -0.117 nan 8.230 nan 0.000 0.433 231 V N -0.522 119.474 119.914 0.136 0.000 2.255 231 V HA -0.354 3.766 4.120 -0.001 0.000 0.247 231 V C 2.592 178.797 176.094 0.185 0.000 1.051 231 V CA 2.363 64.799 62.300 0.227 0.000 1.018 231 V CB -1.269 30.721 31.823 0.279 0.000 0.641 231 V HN 0.723 nan 8.190 nan 0.000 0.445 232 T N -2.231 112.427 114.554 0.173 0.000 2.915 232 T HA -0.109 4.240 4.350 -0.001 0.000 0.269 232 T C 1.790 176.582 174.700 0.153 0.000 1.071 232 T CA 1.352 63.548 62.100 0.159 0.000 1.132 232 T CB -0.380 68.599 68.868 0.185 0.000 0.878 232 T HN 0.229 nan 8.240 nan 0.000 0.479 233 V N 0.678 120.609 119.914 0.028 0.000 2.295 233 V HA -0.063 4.057 4.120 -0.001 0.000 0.246 233 V C 2.324 178.487 176.094 0.114 0.000 1.049 233 V CA 1.668 63.941 62.300 -0.044 0.000 1.024 233 V CB -0.851 30.797 31.823 -0.291 0.000 0.648 233 V HN 0.491 nan 8.190 nan 0.000 0.447 234 F N -0.919 119.117 119.950 0.143 0.000 2.186 234 F HA -0.177 4.350 4.527 -0.001 0.000 0.299 234 F C 2.247 178.137 175.800 0.151 0.000 1.090 234 F CA 1.083 59.163 58.000 0.133 0.000 1.307 234 F CB -0.290 38.771 39.000 0.100 0.000 1.019 234 F HN 0.167 nan 8.300 nan 0.000 0.489 235 L N 0.073 121.498 121.223 0.337 0.000 2.017 235 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 235 L C 2.153 179.191 176.870 0.281 0.000 1.073 235 L CA 1.658 56.648 54.840 0.250 0.000 0.745 235 L CB -1.233 40.932 42.059 0.177 0.000 0.894 235 L HN 0.176 nan 8.230 nan 0.000 0.432 236 F N -0.247 119.807 119.950 0.174 0.000 2.095 236 F HA -0.292 4.234 4.527 -0.001 0.000 0.298 236 F C 2.271 178.173 175.800 0.170 0.000 1.104 236 F CA 2.147 60.267 58.000 0.200 0.000 1.232 236 F CB -0.170 38.919 39.000 0.147 0.000 0.987 236 F HN 0.092 nan 8.300 nan 0.000 0.475 237 M N -0.246 119.561 119.600 0.344 0.000 2.229 237 M HA -0.170 4.309 4.480 -0.001 0.000 0.264 237 M C 2.272 178.641 176.300 0.115 0.000 1.063 237 M CA 1.031 56.453 55.300 0.204 0.000 1.114 237 M CB -0.457 32.326 32.600 0.304 0.000 1.387 237 M HN 0.345 nan 8.290 nan 0.000 0.420 238 L N 0.779 122.099 121.223 0.161 0.000 2.027 238 L HA -0.185 4.154 4.340 -0.001 0.000 0.206 238 L C 2.161 179.118 176.870 0.145 0.000 1.074 238 L CA 1.860 56.784 54.840 0.140 0.000 0.745 238 L CB -0.388 41.756 42.059 0.142 0.000 0.898 238 L HN 0.289 nan 8.230 nan 0.000 0.433 239 I N -0.172 120.498 120.570 0.167 0.000 2.252 239 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 239 I C 2.517 178.817 176.117 0.304 0.000 1.102 239 I CA 0.818 62.292 61.300 0.290 0.000 1.385 239 I CB -0.315 37.907 38.000 0.369 0.000 1.064 239 I HN 0.290 nan 8.210 nan 0.000 0.414 240 L N 1.386 122.519 121.223 -0.150 0.000 2.083 240 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 240 L C 2.522 179.304 176.870 -0.148 0.000 1.083 240 L CA 2.026 56.465 54.840 -0.669 0.000 0.752 240 L CB -0.773 40.620 42.059 -1.111 0.000 0.899 240 L HN 0.179 nan 8.230 nan 0.000 0.433 241 A N -0.703 122.133 122.820 0.027 0.000 1.969 241 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 241 A C 2.247 179.996 177.584 0.275 0.000 1.169 241 A CA 1.690 53.855 52.037 0.212 0.000 0.635 241 A CB -0.780 18.358 19.000 0.229 0.000 0.810 241 A HN 0.499 nan 8.150 nan 0.000 0.445 242 L N -2.113 119.261 121.223 0.251 0.000 2.083 242 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 242 L C 2.440 179.424 176.870 0.190 0.000 1.083 242 L CA 1.356 56.358 54.840 0.270 0.000 0.752 242 L CB -0.504 41.672 42.059 0.196 0.000 0.899 242 L HN 0.400 nan 8.230 nan 0.000 0.433 243 F N -1.149 118.867 119.950 0.110 0.000 2.149 243 F HA -0.122 4.404 4.527 -0.001 0.000 0.294 243 F C 2.381 178.151 175.800 -0.050 0.000 1.095 243 F CA 0.956 58.997 58.000 0.068 0.000 1.276 243 F CB -0.742 38.328 39.000 0.116 0.000 1.023 243 F HN -0.292 nan 8.300 nan 0.000 0.480 244 V N -0.459 119.497 119.914 0.070 0.000 2.324 244 V HA -0.323 3.796 4.120 -0.001 0.000 0.250 244 V C 1.984 177.875 176.094 -0.338 0.000 1.060 244 V CA 2.047 64.233 62.300 -0.189 0.000 1.042 244 V CB -0.698 30.915 31.823 -0.349 0.000 0.650 244 V HN 0.245 nan 8.190 nan 0.000 0.450 245 F N -2.537 117.341 119.950 -0.120 0.000 2.582 245 F HA 0.130 4.656 4.527 -0.001 0.000 0.290 245 F C 1.897 177.503 175.800 -0.324 0.000 1.115 245 F CA 0.708 58.549 58.000 -0.264 0.000 1.445 245 F CB -0.057 38.649 39.000 -0.489 0.000 1.126 245 F HN 0.105 nan 8.300 nan 0.000 0.574 246 Y N -3.053 117.319 120.300 0.121 0.000 2.444 246 Y HA 0.269 4.819 4.550 -0.001 0.000 0.252 246 Y C 1.121 176.980 175.900 -0.068 0.000 1.091 246 Y CA -0.069 58.039 58.100 0.013 0.000 1.276 246 Y CB 0.764 39.215 38.460 -0.014 0.000 1.170 246 Y HN -0.249 nan 8.280 nan 0.000 0.517 247 S N 0.516 116.238 115.700 0.038 0.000 2.598 247 S HA 0.166 4.636 4.470 -0.001 0.000 0.209 247 S C -1.963 172.649 174.600 0.020 0.000 1.029 247 S CA -0.838 57.351 58.200 -0.020 0.000 1.172 247 S CB 0.222 63.336 63.200 -0.143 0.000 1.427 247 S HN 0.035 nan 8.310 nan 0.000 0.418 248 P HA -0.096 nan 4.420 nan 0.000 0.217 248 P C 0.441 177.672 177.300 -0.115 0.000 1.148 248 P CA 1.252 64.108 63.100 -0.406 0.000 0.828 248 P CB 0.082 30.942 31.700 -1.401 0.000 0.783 249 N N -1.620 117.091 118.700 0.019 0.000 2.204 249 N HA 0.060 4.799 4.740 -0.001 0.000 0.219 249 N C 1.088 176.714 175.510 0.194 0.000 1.151 249 N CA 0.181 53.345 53.050 0.189 0.000 0.867 249 N CB 0.140 38.785 38.487 0.263 0.000 1.043 249 N HN 0.082 nan 8.380 nan 0.000 0.516 250 T N 1.174 115.839 114.554 0.185 0.000 2.746 250 T HA 0.013 4.362 4.350 -0.001 0.000 0.267 250 T C 1.899 176.706 174.700 0.178 0.000 1.039 250 T CA 0.827 63.030 62.100 0.172 0.000 1.142 250 T CB 0.063 69.052 68.868 0.202 0.000 0.866 250 T HN 0.199 nan 8.240 nan 0.000 0.444 251 L N 0.451 121.814 121.223 0.233 0.000 2.599 251 L HA 0.270 4.609 4.340 -0.001 0.000 0.230 251 L C 1.614 178.650 176.870 0.276 0.000 1.141 251 L CA -0.366 54.597 54.840 0.205 0.000 0.877 251 L CB -0.432 41.765 42.059 0.230 0.000 1.009 251 L HN 0.211 nan 8.230 nan 0.000 0.447 252 G N -1.918 107.039 108.800 0.262 0.000 2.606 252 G HA2 0.274 4.233 3.960 -0.001 0.000 0.262 252 G HA3 0.274 4.233 3.960 -0.001 0.000 0.262 252 G C -1.366 173.697 174.900 0.272 0.000 1.394 252 G CA -0.328 44.944 45.100 0.286 0.000 1.044 252 G HN 0.201 nan 8.290 nan 0.000 0.553 253 H N -0.960 118.239 119.070 0.215 0.000 2.667 253 H HA 0.389 4.944 4.556 -0.001 0.000 0.353 253 H C -1.706 173.762 175.328 0.234 0.000 1.072 253 H CA -1.721 54.441 56.048 0.191 0.000 1.214 253 H CB 2.975 32.844 29.762 0.178 0.000 1.600 253 H HN 0.154 nan 8.280 nan 0.000 0.527 254 P HA -0.121 nan 4.420 nan 0.000 0.217 254 P C 0.738 178.292 177.300 0.422 0.000 1.150 254 P CA 0.880 64.260 63.100 0.466 0.000 0.832 254 P CB 0.360 32.244 31.700 0.308 0.000 0.787 255 D N -1.099 119.546 120.400 0.408 0.000 2.221 255 D HA -0.147 4.492 4.640 -0.001 0.000 0.204 255 D C 1.435 177.750 176.300 0.026 0.000 0.982 255 D CA 0.988 55.044 54.000 0.094 0.000 0.857 255 D CB -0.883 39.808 40.800 -0.181 0.000 0.934 255 D HN 0.086 nan 8.370 nan 0.000 0.475 256 N N -0.828 117.886 118.700 0.024 0.000 2.515 256 N HA -0.064 4.675 4.740 -0.001 0.000 0.191 256 N C 0.190 175.721 175.510 0.035 0.000 1.182 256 N CA 0.183 53.207 53.050 -0.043 0.000 0.879 256 N CB -0.136 38.269 38.487 -0.138 0.000 0.984 256 N HN 0.271 nan 8.380 nan 0.000 0.453 257 Y N -0.639 119.801 120.300 0.233 0.000 2.524 257 Y HA 0.362 4.911 4.550 -0.001 0.000 0.266 257 Y C -0.103 175.967 175.900 0.285 0.000 1.180 257 Y CA -0.176 58.134 58.100 0.349 0.000 1.244 257 Y CB 0.476 39.081 38.460 0.241 0.000 1.125 257 Y HN -0.062 nan 8.280 nan 0.000 0.524 258 I N 1.205 121.870 120.570 0.160 0.000 2.406 258 I HA 0.321 4.491 4.170 -0.001 0.000 0.290 258 I C -2.553 173.294 176.117 -0.448 0.000 0.999 258 I CA -2.623 58.598 61.300 -0.132 0.000 1.124 258 I CB 1.845 39.820 38.000 -0.042 0.000 1.289 258 I HN -0.201 nan 8.210 nan 0.000 0.441 259 P HA -0.006 nan 4.420 nan 0.000 0.265 259 P C 0.230 177.270 177.300 -0.434 0.000 1.187 259 P CA -0.021 62.597 63.100 -0.804 0.000 0.766 259 P CB 0.460 31.785 31.700 -0.625 0.000 0.820 260 G N 2.477 110.952 108.800 -0.543 0.000 2.321 260 G HA2 0.051 4.011 3.960 -0.001 0.000 0.237 260 G HA3 0.051 4.011 3.960 -0.001 0.000 0.237 260 G C -0.130 174.549 174.900 -0.367 0.000 1.282 260 G CA 0.086 44.765 45.100 -0.701 0.000 0.886 260 G HN 0.508 nan 8.290 nan 0.000 0.528 261 N N 2.428 120.936 118.700 -0.320 0.000 2.504 261 N HA 0.349 5.088 4.740 -0.001 0.000 0.280 261 N C -2.043 173.324 175.510 -0.238 0.000 1.052 261 N CA -2.252 50.692 53.050 -0.177 0.000 0.887 261 N CB 2.521 40.984 38.487 -0.040 0.000 1.323 261 N HN 0.002 nan 8.380 nan 0.000 0.509 262 P HA 0.044 nan 4.420 nan 0.000 0.228 262 P C 0.687 178.086 177.300 0.165 0.000 1.151 262 P CA 0.948 63.863 63.100 -0.309 0.000 0.770 262 P CB 0.365 31.968 31.700 -0.162 0.000 0.786 263 L N -2.742 118.569 121.223 0.147 0.000 2.693 263 L HA 0.203 4.542 4.340 -0.001 0.000 0.235 263 L C 0.033 176.962 176.870 0.098 0.000 1.127 263 L CA -0.061 54.860 54.840 0.135 0.000 0.914 263 L CB 0.601 42.693 42.059 0.055 0.000 1.193 263 L HN -0.304 nan 8.230 nan 0.000 0.502 264 V N -0.468 119.533 119.914 0.146 0.000 2.567 264 V HA 0.243 4.362 4.120 -0.001 0.000 0.298 264 V C -0.332 175.654 176.094 -0.180 0.000 1.047 264 V CA -0.393 61.893 62.300 -0.023 0.000 0.880 264 V CB 1.816 33.638 31.823 -0.003 0.000 1.009 264 V HN 0.006 nan 8.190 nan 0.000 0.429 265 T N 6.913 121.108 114.554 -0.598 0.000 2.733 265 T HA 0.429 4.779 4.350 -0.001 0.000 0.294 265 T C -2.344 172.136 174.700 -0.368 0.000 0.956 265 T CA -0.973 60.553 62.100 -0.956 0.000 0.987 265 T CB 1.307 69.491 68.868 -1.139 0.000 0.920 265 T HN 0.409 nan 8.240 nan 0.000 0.470 266 P HA 0.220 nan 4.420 nan 0.000 0.269 266 P C 0.460 177.738 177.300 -0.038 0.000 1.209 266 P CA -0.306 62.758 63.100 -0.060 0.000 0.776 266 P CB 0.506 32.210 31.700 0.007 0.000 0.876 267 A N 1.973 124.796 122.820 0.006 0.000 2.066 267 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 267 A C 1.652 179.303 177.584 0.112 0.000 1.157 267 A CA 1.496 53.562 52.037 0.048 0.000 0.670 267 A CB -1.071 17.960 19.000 0.052 0.000 0.804 267 A HN 0.563 nan 8.150 nan 0.000 0.453 268 S N -0.534 115.236 115.700 0.117 0.000 2.710 268 S HA 0.253 4.723 4.470 -0.001 0.000 0.224 268 S C 0.444 175.178 174.600 0.223 0.000 0.948 268 S CA -0.412 57.889 58.200 0.170 0.000 0.949 268 S CB -0.762 62.557 63.200 0.198 0.000 0.778 268 S HN 0.506 nan 8.310 nan 0.000 0.498 269 I N 2.428 123.082 120.570 0.140 0.000 2.598 269 I HA 0.198 4.367 4.170 -0.001 0.000 0.284 269 I C -1.123 175.079 176.117 0.141 0.000 1.140 269 I CA 0.085 61.466 61.300 0.135 0.000 1.420 269 I CB 0.472 38.510 38.000 0.064 0.000 1.387 269 I HN 0.045 nan 8.210 nan 0.000 0.553 270 V N 7.574 127.605 119.914 0.195 0.000 2.851 270 V HA 0.404 4.523 4.120 -0.001 0.000 0.307 270 V C -2.306 173.749 176.094 -0.065 0.000 1.129 270 V CA -1.309 60.999 62.300 0.015 0.000 0.932 270 V CB 1.724 33.550 31.823 0.004 0.000 1.024 270 V HN 0.666 nan 8.190 nan 0.000 0.426 271 P HA 0.295 nan 4.420 nan 0.000 0.272 271 P C -0.595 176.486 177.300 -0.364 0.000 1.240 271 P CA -0.456 62.407 63.100 -0.395 0.000 0.791 271 P CB 0.460 31.757 31.700 -0.671 0.000 0.978 272 E N 1.181 121.062 120.200 -0.533 0.000 2.452 272 E HA -0.093 4.257 4.350 -0.001 0.000 0.261 272 E C 1.153 177.280 176.600 -0.788 0.000 0.987 272 E CA 0.069 56.000 56.400 -0.782 0.000 0.926 272 E CB -0.086 28.807 29.700 -1.346 0.000 0.934 272 E HN 0.556 nan 8.360 nan 0.000 0.452 273 W N 4.374 125.341 121.300 -0.556 0.000 2.305 273 W HA -0.369 4.291 4.660 -0.001 0.000 0.308 273 W C 1.000 177.369 176.519 -0.249 0.000 1.226 273 W CA 1.502 58.647 57.345 -0.335 0.000 1.253 273 W CB -1.012 28.345 29.460 -0.173 0.000 1.146 273 W HN 0.763 nan 8.180 nan 0.000 0.507 274 Y N 0.110 119.673 120.300 -1.228 0.000 2.574 274 Y HA 0.149 4.698 4.550 -0.001 0.000 0.294 274 Y C 2.173 177.878 175.900 -0.324 0.000 1.142 274 Y CA 0.833 58.339 58.100 -0.990 0.000 1.314 274 Y CB -1.441 36.053 38.460 -1.610 0.000 0.991 274 Y HN -0.047 nan 8.280 nan 0.000 0.555 275 L N -0.399 120.657 121.223 -0.278 0.000 2.616 275 L HA 0.149 4.488 4.340 -0.001 0.000 0.229 275 L C 1.875 178.732 176.870 -0.022 0.000 1.110 275 L CA -0.048 54.778 54.840 -0.023 0.000 0.884 275 L CB -0.144 41.805 42.059 -0.184 0.000 1.115 275 L HN 0.235 nan 8.230 nan 0.000 0.481 276 L N 0.757 121.894 121.223 -0.143 0.000 2.013 276 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 276 L C -0.177 176.608 176.870 -0.141 0.000 1.073 276 L CA 1.808 56.583 54.840 -0.107 0.000 0.753 276 L CB -1.696 40.295 42.059 -0.113 0.000 0.890 276 L HN 0.233 nan 8.230 nan 0.000 0.432 277 P HA -0.183 nan 4.420 nan 0.000 0.215 277 P C 1.462 178.422 177.300 -0.567 0.000 1.153 277 P CA 1.598 64.269 63.100 -0.715 0.000 0.853 277 P CB -0.041 30.771 31.700 -1.480 0.000 0.788 278 F N -2.932 116.947 119.950 -0.118 0.000 2.259 278 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 278 F C 2.462 178.230 175.800 -0.053 0.000 1.088 278 F CA 0.816 58.761 58.000 -0.090 0.000 1.358 278 F CB -1.166 37.793 39.000 -0.068 0.000 1.040 278 F HN -0.099 nan 8.300 nan 0.000 0.505 279 Y N 1.103 121.387 120.300 -0.027 0.000 2.200 279 Y HA -0.132 4.417 4.550 -0.001 0.000 0.290 279 Y C 2.301 178.155 175.900 -0.078 0.000 1.137 279 Y CA 0.933 58.997 58.100 -0.061 0.000 1.163 279 Y CB -0.659 37.755 38.460 -0.077 0.000 0.988 279 Y HN -0.024 nan 8.280 nan 0.000 0.518 280 A N 0.477 123.253 122.820 -0.073 0.000 1.933 280 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 280 A C 2.299 179.794 177.584 -0.149 0.000 1.175 280 A CA 1.834 53.763 52.037 -0.180 0.000 0.628 280 A CB -1.091 17.820 19.000 -0.147 0.000 0.814 280 A HN 0.579 nan 8.150 nan 0.000 0.444 281 I N -0.662 119.840 120.570 -0.114 0.000 2.179 281 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 281 I C 2.510 178.612 176.117 -0.025 0.000 1.088 281 I CA 1.505 62.777 61.300 -0.046 0.000 1.357 281 I CB -0.239 37.735 38.000 -0.043 0.000 1.051 281 I HN 0.465 nan 8.210 nan 0.000 0.409 282 L N 0.763 121.955 121.223 -0.053 0.000 2.042 282 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 282 L C 2.744 179.552 176.870 -0.103 0.000 1.076 282 L CA 1.641 56.443 54.840 -0.063 0.000 0.749 282 L CB -0.319 41.699 42.059 -0.069 0.000 0.893 282 L HN 0.114 nan 8.230 nan 0.000 0.432 283 R N -0.765 119.616 120.500 -0.198 0.000 2.189 283 R HA -0.063 4.276 4.340 -0.001 0.000 0.223 283 R C 2.122 178.360 176.300 -0.103 0.000 1.092 283 R CA 1.212 57.192 56.100 -0.200 0.000 0.989 283 R CB -0.334 29.763 30.300 -0.339 0.000 0.876 283 R HN 0.397 nan 8.270 nan 0.000 0.457 284 S N 0.452 116.110 115.700 -0.070 0.000 2.515 284 S HA 0.049 4.519 4.470 -0.001 0.000 0.231 284 S C 0.729 175.328 174.600 -0.002 0.000 0.987 284 S CA 0.551 58.740 58.200 -0.019 0.000 0.936 284 S CB 0.106 63.314 63.200 0.013 0.000 0.766 284 S HN 0.107 nan 8.310 nan 0.000 0.528 285 I N 3.042 123.606 120.570 -0.011 0.000 2.328 285 I HA 0.259 4.429 4.170 -0.001 0.000 0.287 285 I C -2.071 174.039 176.117 -0.011 0.000 1.012 285 I CA -2.709 58.589 61.300 -0.003 0.000 1.195 285 I CB 0.896 38.897 38.000 0.002 0.000 1.350 285 I HN -0.110 nan 8.210 nan 0.000 0.464 286 P HA 0.064 nan 4.420 nan 0.000 0.269 286 P C -0.339 176.958 177.300 -0.005 0.000 1.461 286 P CA 0.412 63.508 63.100 -0.007 0.000 0.809 286 P CB 0.087 31.785 31.700 -0.004 0.000 1.503 287 D N -0.492 119.905 120.400 -0.005 0.000 2.896 287 D HA 0.140 4.779 4.640 -0.001 0.000 0.241 287 D C 1.108 177.406 176.300 -0.004 0.000 1.188 287 D CA -0.749 53.248 54.000 -0.004 0.000 0.879 287 D CB 1.924 42.721 40.800 -0.005 0.000 1.553 287 D HN -0.321 nan 8.370 nan 0.000 0.515 288 K N 2.733 123.132 120.400 -0.001 0.000 1.977 288 K HA -0.195 4.125 4.320 -0.001 0.000 0.218 288 K C 1.735 178.334 176.600 -0.002 0.000 1.051 288 K CA 1.476 57.764 56.287 0.001 0.000 0.953 288 K CB -0.197 32.307 32.500 0.007 0.000 0.727 288 K HN 0.465 nan 8.250 nan 0.000 0.445 289 L N 1.557 122.775 121.223 -0.008 0.000 2.012 289 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 289 L C 2.124 178.993 176.870 -0.002 0.000 1.073 289 L CA 1.605 56.438 54.840 -0.011 0.000 0.748 289 L CB -0.453 41.590 42.059 -0.027 0.000 0.891 289 L HN 0.323 nan 8.230 nan 0.000 0.431 290 L N -0.670 120.550 121.223 -0.004 0.000 2.191 290 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 290 L C 2.456 179.331 176.870 0.010 0.000 1.103 290 L CA 1.038 55.877 54.840 -0.001 0.000 0.769 290 L CB -1.292 40.762 42.059 -0.008 0.000 0.908 290 L HN 0.520 nan 8.230 nan 0.000 0.438 291 G N -0.003 108.801 108.800 0.006 0.000 2.404 291 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.215 291 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.215 291 G C 1.657 176.566 174.900 0.016 0.000 1.174 291 G CA 1.027 46.130 45.100 0.005 0.000 0.780 291 G HN 0.336 nan 8.290 nan 0.000 0.537 292 V N -0.582 119.347 119.914 0.025 0.000 2.548 292 V HA 0.066 4.186 4.120 -0.001 0.000 0.249 292 V C 2.528 178.725 176.094 0.171 0.000 1.055 292 V CA 1.254 63.589 62.300 0.058 0.000 1.065 292 V CB -0.348 31.508 31.823 0.056 0.000 0.681 292 V HN 0.374 nan 8.190 nan 0.000 0.462 293 I N 1.071 121.715 120.570 0.124 0.000 2.252 293 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 293 I C 2.722 178.936 176.117 0.161 0.000 1.102 293 I CA 2.013 63.399 61.300 0.143 0.000 1.385 293 I CB -0.671 37.365 38.000 0.059 0.000 1.064 293 I HN 0.325 nan 8.210 nan 0.000 0.414 294 T N 0.844 115.463 114.554 0.107 0.000 2.746 294 T HA -0.245 4.104 4.350 -0.001 0.000 0.267 294 T C 1.897 176.758 174.700 0.268 0.000 1.039 294 T CA 1.495 63.676 62.100 0.135 0.000 1.142 294 T CB -0.253 68.654 68.868 0.064 0.000 0.866 294 T HN 0.334 nan 8.240 nan 0.000 0.444 295 M N -0.033 119.655 119.600 0.146 0.000 2.108 295 M HA -0.081 4.399 4.480 -0.001 0.000 0.261 295 M C 1.719 178.043 176.300 0.040 0.000 1.066 295 M CA 1.816 57.158 55.300 0.069 0.000 1.107 295 M CB -0.274 32.268 32.600 -0.097 0.000 1.356 295 M HN 0.241 nan 8.290 nan 0.000 0.406 296 F N -0.046 119.951 119.950 0.079 0.000 2.259 296 F HA -0.032 4.494 4.527 -0.001 0.000 0.298 296 F C 2.478 178.350 175.800 0.121 0.000 1.088 296 F CA 0.940 58.968 58.000 0.046 0.000 1.358 296 F CB -0.343 38.653 39.000 -0.007 0.000 1.040 296 F HN 0.246 nan 8.300 nan 0.000 0.505 297 A N -0.115 122.928 122.820 0.372 0.000 2.015 297 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 297 A C 2.302 180.178 177.584 0.486 0.000 1.163 297 A CA 1.268 53.537 52.037 0.387 0.000 0.646 297 A CB -0.998 18.211 19.000 0.348 0.000 0.806 297 A HN 0.288 nan 8.150 nan 0.000 0.448 298 A N -0.176 122.921 122.820 0.461 0.000 2.019 298 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 298 A C 2.020 179.814 177.584 0.349 0.000 1.164 298 A CA 1.488 53.677 52.037 0.253 0.000 0.644 298 A CB -0.440 18.602 19.000 0.070 0.000 0.805 298 A HN 0.519 nan 8.150 nan 0.000 0.449 299 I N -0.859 119.889 120.570 0.296 0.000 2.494 299 I HA -0.092 4.077 4.170 -0.001 0.000 0.250 299 I C 2.091 178.309 176.117 0.169 0.000 1.112 299 I CA 0.536 61.994 61.300 0.263 0.000 1.438 299 I CB -0.197 37.899 38.000 0.159 0.000 1.111 299 I HN 0.231 nan 8.210 nan 0.000 0.431 300 L N 0.059 121.385 121.223 0.172 0.000 2.141 300 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 300 L C 2.536 179.448 176.870 0.070 0.000 1.094 300 L CA 0.650 55.564 54.840 0.123 0.000 0.763 300 L CB -0.555 41.588 42.059 0.141 0.000 0.908 300 L HN 0.137 nan 8.230 nan 0.000 0.437 301 V N 0.161 120.105 119.914 0.050 0.000 3.026 301 V HA -0.216 3.903 4.120 -0.001 0.000 0.265 301 V C 2.245 178.101 176.094 -0.397 0.000 1.121 301 V CA 1.061 63.303 62.300 -0.096 0.000 1.142 301 V CB -0.058 31.750 31.823 -0.026 0.000 0.730 301 V HN 0.272 nan 8.190 nan 0.000 0.503 302 L N -0.543 120.490 121.223 -0.317 0.000 2.275 302 L HA -0.032 4.307 4.340 -0.001 0.000 0.215 302 L C 2.063 179.018 176.870 0.140 0.000 1.119 302 L CA 1.764 56.476 54.840 -0.215 0.000 0.790 302 L CB -0.549 41.469 42.059 -0.068 0.000 0.919 302 L HN 0.311 nan 8.230 nan 0.000 0.443 303 L N -2.142 119.148 121.223 0.111 0.000 2.376 303 L HA -0.088 4.251 4.340 -0.001 0.000 0.219 303 L C 2.039 179.040 176.870 0.218 0.000 1.133 303 L CA 0.104 55.078 54.840 0.223 0.000 0.816 303 L CB -0.372 41.796 42.059 0.181 0.000 0.933 303 L HN 0.048 nan 8.230 nan 0.000 0.449 304 V N -0.818 119.166 119.914 0.117 0.000 2.951 304 V HA -0.159 3.961 4.120 -0.001 0.000 0.255 304 V C 2.291 178.415 176.094 0.049 0.000 1.088 304 V CA 0.500 62.909 62.300 0.182 0.000 1.109 304 V CB -0.060 31.829 31.823 0.110 0.000 0.724 304 V HN 0.250 nan 8.190 nan 0.000 0.471 305 L N 1.110 122.245 121.223 -0.146 0.000 2.051 305 L HA -0.125 4.214 4.340 -0.001 0.000 0.214 305 L C -0.124 176.510 176.870 -0.393 0.000 1.076 305 L CA 2.482 57.088 54.840 -0.390 0.000 0.758 305 L CB -1.782 39.787 42.059 -0.816 0.000 0.890 305 L HN 0.287 nan 8.230 nan 0.000 0.433 306 P HA -0.149 nan 4.420 nan 0.000 0.219 306 P C 1.198 178.126 177.300 -0.620 0.000 1.146 306 P CA 1.574 64.366 63.100 -0.514 0.000 0.808 306 P CB -0.051 31.129 31.700 -0.866 0.000 0.779 307 F N -1.726 118.223 119.950 -0.002 0.000 2.505 307 F HA 0.045 4.571 4.527 -0.001 0.000 0.289 307 F C 2.233 178.019 175.800 -0.023 0.000 1.101 307 F CA 1.028 59.023 58.000 -0.007 0.000 1.446 307 F CB -1.481 37.518 39.000 -0.002 0.000 1.123 307 F HN -0.136 nan 8.300 nan 0.000 0.564 308 T N -3.093 111.509 114.554 0.080 0.000 3.088 308 T HA -0.064 4.285 4.350 -0.001 0.000 0.259 308 T C 0.581 175.252 174.700 -0.050 0.000 1.122 308 T CA 0.277 62.383 62.100 0.011 0.000 1.095 308 T CB -0.405 68.453 68.868 -0.018 0.000 0.930 308 T HN -0.036 nan 8.240 nan 0.000 0.508 309 D N 1.649 122.018 120.400 -0.051 0.000 2.422 309 D HA 0.160 4.799 4.640 -0.001 0.000 0.227 309 D C 1.018 177.305 176.300 -0.023 0.000 1.190 309 D CA -0.540 53.436 54.000 -0.039 0.000 0.905 309 D CB 0.538 41.371 40.800 0.055 0.000 1.034 309 D HN 0.037 nan 8.370 nan 0.000 0.507 310 R N 1.745 122.229 120.500 -0.026 0.000 2.299 310 R HA 0.014 4.353 4.340 -0.001 0.000 0.197 310 R C 0.888 177.185 176.300 -0.006 0.000 0.971 310 R CA -0.042 56.051 56.100 -0.011 0.000 1.030 310 R CB -0.611 29.682 30.300 -0.012 0.000 0.932 310 R HN 0.298 nan 8.270 nan 0.000 0.477 311 S N 0.365 116.062 115.700 -0.005 0.000 2.563 311 S HA -0.009 4.460 4.470 -0.001 0.000 0.284 311 S C 1.330 175.928 174.600 -0.002 0.000 1.331 311 S CA -0.232 57.978 58.200 0.017 0.000 1.047 311 S CB 1.016 64.230 63.200 0.023 0.000 0.859 311 S HN 0.014 nan 8.310 nan 0.000 0.514 312 V N 4.705 124.626 119.914 0.011 0.000 3.541 312 V HA 0.155 4.274 4.120 -0.001 0.000 0.267 312 V C 0.490 176.554 176.094 -0.050 0.000 1.213 312 V CA 0.995 63.284 62.300 -0.019 0.000 1.149 312 V CB 0.272 32.092 31.823 -0.006 0.000 0.822 312 V HN 0.738 nan 8.190 nan 0.000 0.462 313 V N -0.666 119.221 119.914 -0.046 0.000 2.769 313 V HA 0.619 4.738 4.120 -0.001 0.000 0.312 313 V C -0.280 175.781 176.094 -0.056 0.000 1.061 313 V CA -1.095 61.169 62.300 -0.060 0.000 0.931 313 V CB 1.797 33.567 31.823 -0.088 0.000 1.010 313 V HN 0.319 nan 8.190 nan 0.000 0.433 314 R N 3.217 123.676 120.500 -0.067 0.000 2.254 314 R HA 0.678 5.018 4.340 -0.001 0.000 0.318 314 R C 0.224 176.480 176.300 -0.073 0.000 1.031 314 R CA 0.851 56.883 56.100 -0.113 0.000 0.905 314 R CB 0.608 30.826 30.300 -0.137 0.000 1.050 314 R HN 2.226 nan 8.270 nan 0.000 0.456 315 G N 2.875 111.591 108.800 -0.140 0.000 2.619 315 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.686 315 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.686 315 G C -0.505 174.237 174.900 -0.263 0.000 1.256 315 G CA -0.549 44.449 45.100 -0.170 0.000 0.826 315 G HN 0.648 nan 8.290 nan 0.000 0.619 316 N N -0.501 117.846 118.700 -0.587 0.000 2.299 316 N HA 0.072 4.811 4.740 -0.001 0.000 0.187 316 N C 2.335 177.584 175.510 -0.436 0.000 1.099 316 N CA 1.074 53.748 53.050 -0.626 0.000 0.867 316 N CB 0.041 37.813 38.487 -1.191 0.000 0.974 316 N HN 0.613 nan 8.380 nan 0.000 0.477 317 T N 0.228 114.553 114.554 -0.381 0.000 2.649 317 T HA -0.167 4.182 4.350 -0.001 0.000 0.268 317 T C 0.827 175.294 174.700 -0.388 0.000 1.036 317 T CA 1.409 63.285 62.100 -0.375 0.000 1.157 317 T CB -0.322 68.142 68.868 -0.674 0.000 0.861 317 T HN 0.311 nan 8.240 nan 0.000 0.445 318 F N 0.908 120.924 119.950 0.110 0.000 2.750 318 F HA 0.384 4.910 4.527 -0.001 0.000 0.297 318 F C 0.422 176.369 175.800 0.245 0.000 1.138 318 F CA -0.570 57.535 58.000 0.175 0.000 1.346 318 F CB 0.247 39.349 39.000 0.171 0.000 0.965 318 F HN -0.225 nan 8.300 nan 0.000 0.514 319 K N 0.544 121.089 120.400 0.242 0.000 2.572 319 K HA 0.328 4.647 4.320 -0.001 0.000 0.244 319 K C 0.576 177.246 176.600 0.117 0.000 0.965 319 K CA -0.309 56.085 56.287 0.179 0.000 0.943 319 K CB 2.441 35.025 32.500 0.140 0.000 1.154 319 K HN -0.047 nan 8.250 nan 0.000 0.447 320 V N 2.547 122.523 119.914 0.103 0.000 2.255 320 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 320 V C 1.826 178.011 176.094 0.151 0.000 1.051 320 V CA 1.746 64.113 62.300 0.111 0.000 1.018 320 V CB -0.317 31.539 31.823 0.056 0.000 0.641 320 V HN 0.622 nan 8.190 nan 0.000 0.445 321 L N -0.089 121.215 121.223 0.136 0.000 2.056 321 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 321 L C 2.583 179.694 176.870 0.402 0.000 1.078 321 L CA 1.877 56.870 54.840 0.255 0.000 0.749 321 L CB -1.008 41.190 42.059 0.231 0.000 0.901 321 L HN 0.234 nan 8.230 nan 0.000 0.433 322 S N -0.968 114.882 115.700 0.250 0.000 2.387 322 S HA -0.121 4.348 4.470 -0.001 0.000 0.226 322 S C 1.941 176.666 174.600 0.208 0.000 1.026 322 S CA 0.850 59.178 58.200 0.214 0.000 0.972 322 S CB -0.090 63.139 63.200 0.049 0.000 0.814 322 S HN 0.365 nan 8.310 nan 0.000 0.477 323 K N 0.314 120.814 120.400 0.167 0.000 2.057 323 K HA -0.098 4.221 4.320 -0.001 0.000 0.207 323 K C 1.866 178.741 176.600 0.458 0.000 1.049 323 K CA 1.282 57.714 56.287 0.243 0.000 0.931 323 K CB -0.342 32.328 32.500 0.284 0.000 0.714 323 K HN 0.385 nan 8.250 nan 0.000 0.440 324 F N 0.843 120.935 119.950 0.237 0.000 2.051 324 F HA -0.192 4.334 4.527 -0.001 0.000 0.296 324 F C 1.890 177.750 175.800 0.099 0.000 1.122 324 F CA 1.501 59.581 58.000 0.134 0.000 1.201 324 F CB -0.371 38.551 39.000 -0.131 0.000 0.978 324 F HN -0.121 nan 8.300 nan 0.000 0.472 325 F N -0.718 119.406 119.950 0.290 0.000 2.333 325 F HA -0.161 4.365 4.527 -0.001 0.000 0.300 325 F C 2.147 177.994 175.800 0.079 0.000 1.083 325 F CA 1.134 59.236 58.000 0.171 0.000 1.395 325 F CB -0.767 38.416 39.000 0.306 0.000 1.056 325 F HN 0.131 nan 8.300 nan 0.000 0.529 326 F N -0.074 119.913 119.950 0.062 0.000 2.146 326 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 326 F C 1.827 177.374 175.800 -0.421 0.000 1.096 326 F CA 1.545 59.398 58.000 -0.246 0.000 1.275 326 F CB -0.736 38.063 39.000 -0.334 0.000 1.008 326 F HN -0.113 nan 8.300 nan 0.000 0.480 327 F N 0.027 119.900 119.950 -0.128 0.000 2.325 327 F HA -0.141 4.385 4.527 -0.001 0.000 0.299 327 F C 2.262 177.919 175.800 -0.240 0.000 1.090 327 F CA 0.354 58.199 58.000 -0.259 0.000 1.392 327 F CB -0.415 38.609 39.000 0.041 0.000 1.053 327 F HN -0.025 nan 8.300 nan 0.000 0.521 328 I N -0.643 119.843 120.570 -0.140 0.000 2.226 328 I HA -0.318 3.852 4.170 -0.001 0.000 0.245 328 I C 2.405 178.416 176.117 -0.177 0.000 1.100 328 I CA 1.593 62.823 61.300 -0.116 0.000 1.374 328 I CB -1.116 36.834 38.000 -0.082 0.000 1.057 328 I HN 0.138 nan 8.210 nan 0.000 0.413 329 F N 1.560 121.194 119.950 -0.525 0.000 2.102 329 F HA -0.196 4.331 4.527 -0.001 0.000 0.298 329 F C 2.470 177.885 175.800 -0.642 0.000 1.105 329 F CA 1.505 59.043 58.000 -0.770 0.000 1.239 329 F CB -0.417 37.675 39.000 -1.514 0.000 0.991 329 F HN -0.210 nan 8.300 nan 0.000 0.474 330 V N -0.046 119.382 119.914 -0.811 0.000 2.295 330 V HA -0.325 3.794 4.120 -0.001 0.000 0.246 330 V C 2.254 177.969 176.094 -0.632 0.000 1.049 330 V CA 2.272 64.080 62.300 -0.819 0.000 1.024 330 V CB -0.915 30.333 31.823 -0.959 0.000 0.648 330 V HN 0.320 nan 8.190 nan 0.000 0.447 331 F N 0.165 119.975 119.950 -0.233 0.000 2.407 331 F HA -0.072 4.455 4.527 -0.001 0.000 0.299 331 F C 2.397 178.089 175.800 -0.180 0.000 1.097 331 F CA 1.311 59.217 58.000 -0.156 0.000 1.422 331 F CB -0.387 38.549 39.000 -0.106 0.000 1.067 331 F HN 0.197 nan 8.300 nan 0.000 0.539 332 N N 0.417 119.047 118.700 -0.117 0.000 2.270 332 N HA -0.210 4.529 4.740 -0.001 0.000 0.181 332 N C 1.974 177.372 175.510 -0.186 0.000 1.016 332 N CA 0.884 53.855 53.050 -0.133 0.000 0.870 332 N CB -0.233 38.155 38.487 -0.166 0.000 0.979 332 N HN 0.342 nan 8.380 nan 0.000 0.431 333 F N 1.327 120.969 119.950 -0.513 0.000 2.146 333 F HA -0.109 4.418 4.527 -0.001 0.000 0.298 333 F C 2.247 177.843 175.800 -0.341 0.000 1.096 333 F CA 0.781 58.482 58.000 -0.499 0.000 1.275 333 F CB -0.039 38.549 39.000 -0.688 0.000 1.008 333 F HN -0.182 nan 8.300 nan 0.000 0.480 334 V N 0.760 120.541 119.914 -0.221 0.000 2.343 334 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 334 V C 2.374 178.357 176.094 -0.184 0.000 1.051 334 V CA 1.606 63.790 62.300 -0.193 0.000 1.036 334 V CB -0.654 31.152 31.823 -0.028 0.000 0.654 334 V HN 0.415 nan 8.190 nan 0.000 0.451 335 L N -0.527 120.619 121.223 -0.128 0.000 2.046 335 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 335 L C 2.413 179.187 176.870 -0.160 0.000 1.077 335 L CA 1.981 56.759 54.840 -0.104 0.000 0.747 335 L CB -0.620 41.410 42.059 -0.048 0.000 0.896 335 L HN 0.289 nan 8.230 nan 0.000 0.432 336 L N 0.583 121.670 121.223 -0.227 0.000 2.079 336 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 336 L C 2.590 179.276 176.870 -0.306 0.000 1.081 336 L CA 1.963 56.643 54.840 -0.266 0.000 0.752 336 L CB -1.554 40.286 42.059 -0.365 0.000 0.896 336 L HN 0.298 nan 8.230 nan 0.000 0.433 337 G N -1.955 106.615 108.800 -0.382 0.000 2.408 337 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.217 337 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.217 337 G C 1.506 176.297 174.900 -0.181 0.000 1.150 337 G CA 0.739 45.656 45.100 -0.306 0.000 0.776 337 G HN 0.403 nan 8.290 nan 0.000 0.542 338 Q N 0.355 120.053 119.800 -0.170 0.000 2.079 338 Q HA -0.021 4.319 4.340 -0.001 0.000 0.200 338 Q C 2.435 178.320 176.000 -0.193 0.000 0.974 338 Q CA 0.950 56.662 55.803 -0.152 0.000 0.840 338 Q CB -0.336 28.325 28.738 -0.129 0.000 0.898 338 Q HN 0.371 nan 8.270 nan 0.000 0.430 339 I N 0.149 120.608 120.570 -0.185 0.000 2.264 339 I HA -0.169 4.001 4.170 -0.001 0.000 0.248 339 I C 2.135 178.158 176.117 -0.156 0.000 1.111 339 I CA 1.551 62.731 61.300 -0.200 0.000 1.382 339 I CB -1.784 36.147 38.000 -0.115 0.000 1.060 339 I HN 0.394 nan 8.210 nan 0.000 0.418 340 G N 0.752 109.494 108.800 -0.096 0.000 2.442 340 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 340 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 340 G C 1.700 176.640 174.900 0.066 0.000 1.141 340 G CA 0.885 46.017 45.100 0.054 0.000 0.763 340 G HN 0.510 nan 8.290 nan 0.000 0.554 341 A N -1.033 121.745 122.820 -0.069 0.000 2.208 341 A HA 0.332 4.651 4.320 -0.001 0.000 0.209 341 A C 1.166 178.641 177.584 -0.182 0.000 1.161 341 A CA 0.287 52.259 52.037 -0.108 0.000 0.782 341 A CB -0.335 18.596 19.000 -0.116 0.000 0.816 341 A HN 0.360 nan 8.150 nan 0.000 0.477 342 C N -0.021 119.139 119.300 -0.232 0.000 2.347 342 C HA 0.456 4.916 4.460 -0.001 0.000 0.366 342 C C 0.621 175.500 174.990 -0.184 0.000 1.241 342 C CA -0.973 57.869 59.018 -0.294 0.000 2.360 342 C CB 0.084 27.412 27.740 -0.686 0.000 2.290 342 C HN 0.576 nan 8.230 nan 0.000 0.587 343 H N -0.164 118.933 119.070 0.045 0.000 2.607 343 H HA 0.148 4.704 4.556 -0.001 0.000 0.367 343 H C -0.247 175.155 175.328 0.124 0.000 1.181 343 H CA 0.011 56.114 56.048 0.092 0.000 1.402 343 H CB 0.700 30.522 29.762 0.101 0.000 1.474 343 H HN 0.347 nan 8.280 nan 0.000 0.596 344 V N 3.528 123.558 119.914 0.194 0.000 2.266 344 V HA -0.004 4.116 4.120 -0.001 0.000 0.240 344 V C 0.329 176.503 176.094 0.134 0.000 1.225 344 V CA 0.707 63.079 62.300 0.121 0.000 1.237 344 V CB -1.240 30.617 31.823 0.057 0.000 1.343 344 V HN 0.632 nan 8.190 nan 0.000 0.496 345 E N 2.132 122.439 120.200 0.177 0.000 2.314 345 E HA 0.404 4.753 4.350 -0.001 0.000 0.272 345 E C 0.681 177.276 176.600 -0.008 0.000 0.884 345 E CA -0.866 55.586 56.400 0.087 0.000 0.753 345 E CB 2.564 32.323 29.700 0.099 0.000 1.213 345 E HN 0.077 nan 8.360 nan 0.000 0.432 346 V N 3.146 123.028 119.914 -0.053 0.000 2.351 346 V HA -0.359 3.760 4.120 -0.001 0.000 0.243 346 V C -0.548 175.479 176.094 -0.111 0.000 1.046 346 V CA 2.796 65.048 62.300 -0.080 0.000 1.107 346 V CB -1.524 30.247 31.823 -0.087 0.000 0.842 346 V HN 0.826 nan 8.190 nan 0.000 0.482 347 P HA -0.178 nan 4.420 nan 0.000 0.216 347 P C 1.553 178.803 177.300 -0.083 0.000 1.153 347 P CA 2.069 65.040 63.100 -0.215 0.000 0.848 347 P CB -0.227 31.249 31.700 -0.374 0.000 0.787 348 Y N 0.016 120.318 120.300 0.004 0.000 2.224 348 Y HA -0.141 4.408 4.550 -0.001 0.000 0.289 348 Y C 2.687 178.582 175.900 -0.008 0.000 1.146 348 Y CA 0.120 58.220 58.100 -0.001 0.000 1.182 348 Y CB -1.073 37.390 38.460 0.005 0.000 0.983 348 Y HN -0.259 nan 8.280 nan 0.000 0.524 349 V N 0.415 120.410 119.914 0.135 0.000 2.343 349 V HA -0.306 3.814 4.120 -0.001 0.000 0.247 349 V C 2.246 178.369 176.094 0.048 0.000 1.051 349 V CA 1.569 63.910 62.300 0.068 0.000 1.036 349 V CB -0.570 31.275 31.823 0.038 0.000 0.654 349 V HN 0.443 nan 8.190 nan 0.000 0.451 350 L N -1.065 120.182 121.223 0.040 0.000 2.072 350 L HA -0.156 4.184 4.340 -0.001 0.000 0.205 350 L C 2.483 179.383 176.870 0.050 0.000 1.079 350 L CA 1.749 56.608 54.840 0.031 0.000 0.752 350 L CB -0.163 41.904 42.059 0.013 0.000 0.906 350 L HN 0.315 nan 8.230 nan 0.000 0.436 351 M N -0.876 118.765 119.600 0.068 0.000 2.108 351 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 351 M C 2.116 178.458 176.300 0.071 0.000 1.066 351 M CA 1.946 57.294 55.300 0.079 0.000 1.107 351 M CB -0.894 31.773 32.600 0.112 0.000 1.356 351 M HN 0.355 nan 8.290 nan 0.000 0.406 352 G N -0.431 108.406 108.800 0.062 0.000 2.402 352 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.216 352 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.216 352 G C 1.408 176.343 174.900 0.059 0.000 1.162 352 G CA 0.469 45.589 45.100 0.034 0.000 0.777 352 G HN 0.484 nan 8.290 nan 0.000 0.539 353 Q N -0.361 119.479 119.800 0.067 0.000 2.119 353 Q HA 0.062 4.402 4.340 -0.001 0.000 0.201 353 Q C 2.560 178.649 176.000 0.148 0.000 0.972 353 Q CA 0.823 56.681 55.803 0.092 0.000 0.847 353 Q CB -0.120 28.653 28.738 0.058 0.000 0.903 353 Q HN 0.511 nan 8.270 nan 0.000 0.433 354 I N 0.280 120.926 120.570 0.128 0.000 2.286 354 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 354 I C 2.331 178.596 176.117 0.247 0.000 1.104 354 I CA 0.734 62.139 61.300 0.174 0.000 1.397 354 I CB -0.270 37.796 38.000 0.110 0.000 1.072 354 I HN 0.144 nan 8.210 nan 0.000 0.417 355 A N 0.217 123.138 122.820 0.168 0.000 1.933 355 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 355 A C 2.358 180.060 177.584 0.198 0.000 1.175 355 A CA 2.273 54.397 52.037 0.144 0.000 0.628 355 A CB -0.979 18.056 19.000 0.059 0.000 0.814 355 A HN 0.346 nan 8.150 nan 0.000 0.444 356 T N -0.867 113.813 114.554 0.210 0.000 2.746 356 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 356 T C 1.591 176.574 174.700 0.471 0.000 1.039 356 T CA 1.575 63.843 62.100 0.280 0.000 1.142 356 T CB -0.380 68.632 68.868 0.240 0.000 0.866 356 T HN 0.513 nan 8.240 nan 0.000 0.444 357 F N 1.690 121.810 119.950 0.284 0.000 2.102 357 F HA -0.032 4.494 4.527 -0.001 0.000 0.298 357 F C 1.945 177.937 175.800 0.319 0.000 1.105 357 F CA 1.042 59.219 58.000 0.294 0.000 1.239 357 F CB -0.432 38.673 39.000 0.175 0.000 0.991 357 F HN 0.089 nan 8.300 nan 0.000 0.474 358 I N -0.773 119.965 120.570 0.280 0.000 2.226 358 I HA -0.337 3.832 4.170 -0.001 0.000 0.245 358 I C 2.306 178.518 176.117 0.159 0.000 1.100 358 I CA 1.737 63.133 61.300 0.159 0.000 1.374 358 I CB -0.814 37.309 38.000 0.205 0.000 1.057 358 I HN 0.263 nan 8.210 nan 0.000 0.413 359 Y N 1.230 121.590 120.300 0.099 0.000 2.128 359 Y HA -0.323 4.226 4.550 -0.001 0.000 0.284 359 Y C 2.255 178.253 175.900 0.163 0.000 1.154 359 Y CA 1.922 60.091 58.100 0.115 0.000 1.149 359 Y CB -0.360 38.098 38.460 -0.003 0.000 0.976 359 Y HN -0.041 nan 8.280 nan 0.000 0.505 360 F N -0.477 119.731 119.950 0.430 0.000 2.234 360 F HA -0.043 4.483 4.527 -0.001 0.000 0.296 360 F C 2.542 178.384 175.800 0.069 0.000 1.089 360 F CA 0.907 59.104 58.000 0.328 0.000 1.343 360 F CB -0.785 38.348 39.000 0.221 0.000 1.040 360 F HN 0.126 nan 8.300 nan 0.000 0.498 361 A N -0.721 122.086 122.820 -0.022 0.000 1.972 361 A HA -0.261 4.059 4.320 -0.001 0.000 0.219 361 A C 1.975 179.487 177.584 -0.119 0.000 1.169 361 A CA 1.396 53.306 52.037 -0.213 0.000 0.635 361 A CB -1.342 17.346 19.000 -0.520 0.000 0.810 361 A HN 0.507 nan 8.150 nan 0.000 0.446 362 Y N -0.167 119.993 120.300 -0.234 0.000 2.097 362 Y HA -0.270 4.280 4.550 -0.001 0.000 0.282 362 Y C 1.916 177.533 175.900 -0.471 0.000 1.152 362 Y CA 2.201 60.049 58.100 -0.419 0.000 1.136 362 Y CB -0.615 37.458 38.460 -0.645 0.000 0.975 362 Y HN 0.314 nan 8.280 nan 0.000 0.498 363 F N -0.647 119.128 119.950 -0.291 0.000 2.163 363 F HA -0.134 4.392 4.527 -0.001 0.000 0.297 363 F C 2.089 177.754 175.800 -0.225 0.000 1.094 363 F CA 1.133 58.934 58.000 -0.333 0.000 1.290 363 F CB -0.417 38.473 39.000 -0.183 0.000 1.017 363 F HN -0.011 nan 8.300 nan 0.000 0.483 364 L N -1.042 120.225 121.223 0.073 0.000 2.416 364 L HA 0.094 4.433 4.340 -0.001 0.000 0.216 364 L C 1.641 178.486 176.870 -0.040 0.000 1.098 364 L CA 0.662 55.524 54.840 0.036 0.000 0.840 364 L CB -0.034 42.083 42.059 0.097 0.000 0.981 364 L HN 0.182 nan 8.230 nan 0.000 0.462 365 I N -1.466 119.042 120.570 -0.103 0.000 3.739 365 I HA -0.005 4.164 4.170 -0.001 0.000 0.272 365 I C 2.030 178.033 176.117 -0.190 0.000 1.167 365 I CA 0.140 61.372 61.300 -0.114 0.000 1.386 365 I CB 0.345 38.295 38.000 -0.082 0.000 1.490 365 I HN -0.064 nan 8.210 nan 0.000 0.452 366 I N 0.865 121.271 120.570 -0.274 0.000 2.113 366 I HA -0.249 3.921 4.170 -0.001 0.000 0.238 366 I C 2.579 178.445 176.117 -0.419 0.000 1.070 366 I CA 1.396 62.461 61.300 -0.392 0.000 1.332 366 I CB -0.431 37.312 38.000 -0.429 0.000 1.044 366 I HN 0.014 nan 8.210 nan 0.000 0.402 367 V N 1.911 121.499 119.914 -0.543 0.000 2.252 367 V HA -0.200 3.919 4.120 -0.001 0.000 0.249 367 V C -0.200 175.740 176.094 -0.256 0.000 1.056 367 V CA 2.483 64.502 62.300 -0.468 0.000 1.022 367 V CB -2.172 29.287 31.823 -0.606 0.000 0.641 367 V HN 0.361 nan 8.190 nan 0.000 0.445 368 P HA -0.079 nan 4.420 nan 0.000 0.217 368 P C 1.887 179.127 177.300 -0.100 0.000 1.150 368 P CA 1.384 64.414 63.100 -0.117 0.000 0.832 368 P CB -0.030 31.621 31.700 -0.082 0.000 0.787 369 V N 0.710 120.549 119.914 -0.124 0.000 2.270 369 V HA -0.189 3.931 4.120 -0.001 0.000 0.245 369 V C 2.716 178.752 176.094 -0.096 0.000 1.043 369 V CA 1.479 63.718 62.300 -0.101 0.000 1.014 369 V CB -1.054 30.701 31.823 -0.114 0.000 0.645 369 V HN -0.042 nan 8.190 nan 0.000 0.447 370 I N 1.378 121.866 120.570 -0.137 0.000 2.226 370 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 370 I C 2.761 178.854 176.117 -0.039 0.000 1.100 370 I CA 2.265 63.513 61.300 -0.086 0.000 1.374 370 I CB -1.503 36.435 38.000 -0.103 0.000 1.057 370 I HN 0.535 nan 8.210 nan 0.000 0.413 371 S N -0.262 115.405 115.700 -0.054 0.000 2.382 371 S HA -0.153 4.316 4.470 -0.001 0.000 0.228 371 S C 2.009 176.613 174.600 0.005 0.000 1.027 371 S CA 1.695 59.886 58.200 -0.014 0.000 0.991 371 S CB -1.031 62.149 63.200 -0.032 0.000 0.823 371 S HN 0.404 nan 8.310 nan 0.000 0.469 372 T N 2.946 117.490 114.554 -0.016 0.000 2.708 372 T HA 0.098 4.447 4.350 -0.001 0.000 0.266 372 T C 1.758 176.457 174.700 -0.002 0.000 1.037 372 T CA 1.518 63.613 62.100 -0.008 0.000 1.146 372 T CB -0.534 68.321 68.868 -0.022 0.000 0.865 372 T HN 0.370 nan 8.240 nan 0.000 0.435 373 I N 1.049 121.611 120.570 -0.014 0.000 2.163 373 I HA -0.209 3.961 4.170 -0.001 0.000 0.243 373 I C 2.620 178.723 176.117 -0.022 0.000 1.085 373 I CA 1.535 62.826 61.300 -0.015 0.000 1.347 373 I CB -0.412 37.578 38.000 -0.017 0.000 1.044 373 I HN 0.361 nan 8.210 nan 0.000 0.408 374 E N 0.491 120.676 120.200 -0.026 0.000 2.150 374 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 374 E C 1.872 178.491 176.600 0.032 0.000 0.985 374 E CA 0.840 57.185 56.400 -0.091 0.000 0.814 374 E CB -0.144 29.517 29.700 -0.065 0.000 0.752 374 E HN 0.447 nan 8.360 nan 0.000 0.466 375 N N 0.549 119.328 118.700 0.132 0.000 2.069 375 N HA -0.139 4.601 4.740 -0.001 0.000 0.191 375 N C 1.883 177.500 175.510 0.180 0.000 1.031 375 N CA 0.994 54.168 53.050 0.206 0.000 0.852 375 N CB -0.311 38.236 38.487 0.100 0.000 1.018 375 N HN 0.014 nan 8.380 nan 0.000 0.423 376 V N 0.905 120.868 119.914 0.082 0.000 2.548 376 V HA -0.125 3.994 4.120 -0.001 0.000 0.249 376 V C 2.191 178.351 176.094 0.110 0.000 1.055 376 V CA 0.822 63.166 62.300 0.074 0.000 1.065 376 V CB -0.333 31.497 31.823 0.013 0.000 0.681 376 V HN 0.151 nan 8.190 nan 0.000 0.462 377 L N -0.981 120.256 121.223 0.023 0.000 2.017 377 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 377 L C 2.185 179.057 176.870 0.004 0.000 1.073 377 L CA 1.930 56.742 54.840 -0.047 0.000 0.745 377 L CB -1.078 40.864 42.059 -0.194 0.000 0.894 377 L HN 0.234 nan 8.230 nan 0.000 0.432 378 F N -2.131 117.866 119.950 0.078 0.000 2.216 378 F HA -0.248 4.279 4.527 -0.001 0.000 0.300 378 F C 2.444 178.292 175.800 0.080 0.000 1.085 378 F CA 1.196 59.233 58.000 0.063 0.000 1.326 378 F CB -0.866 38.168 39.000 0.056 0.000 1.027 378 F HN 0.095 nan 8.300 nan 0.000 0.497 379 Y N 1.025 121.432 120.300 0.178 0.000 2.138 379 Y HA -0.124 4.426 4.550 -0.001 0.000 0.286 379 Y C 2.398 178.333 175.900 0.058 0.000 1.115 379 Y CA 1.915 60.072 58.100 0.095 0.000 1.105 379 Y CB -0.477 38.025 38.460 0.070 0.000 1.004 379 Y HN 0.045 nan 8.280 nan 0.000 0.494 380 I N -1.467 119.276 120.570 0.288 0.000 2.756 380 I HA 0.038 4.208 4.170 -0.001 0.000 0.262 380 I C 1.905 178.043 176.117 0.035 0.000 1.225 380 I CA 1.489 62.876 61.300 0.145 0.000 1.472 380 I CB -0.872 37.228 38.000 0.167 0.000 1.094 380 I HN 0.278 nan 8.210 nan 0.000 0.454 381 G N 1.825 110.648 108.800 0.039 0.000 2.956 381 G HA2 0.033 3.992 3.960 -0.001 0.000 0.207 381 G HA3 0.033 3.992 3.960 -0.001 0.000 0.207 381 G C 1.501 176.400 174.900 -0.003 0.000 1.162 381 G CA 0.452 45.562 45.100 0.018 0.000 0.796 381 G HN 0.710 nan 8.290 nan 0.000 0.527 382 R N -2.381 118.093 120.500 -0.044 0.000 2.880 382 R HA 0.114 4.453 4.340 -0.001 0.000 0.156 382 R C -0.194 176.035 176.300 -0.118 0.000 0.884 382 R CA -0.251 55.810 56.100 -0.064 0.000 1.623 382 R CB 0.141 30.411 30.300 -0.050 0.000 1.687 382 R HN -0.016 nan 8.270 nan 0.000 0.538 383 V N 4.551 124.330 119.914 -0.225 0.000 2.458 383 V HA 0.073 4.192 4.120 -0.001 0.000 0.287 383 V C -0.592 175.404 176.094 -0.164 0.000 1.009 383 V CA 0.077 62.202 62.300 -0.292 0.000 1.091 383 V CB 0.460 31.871 31.823 -0.687 0.000 0.960 383 V HN 0.270 nan 8.190 nan 0.000 0.476 384 N N 6.238 124.876 118.700 -0.104 0.000 2.589 384 N HA 0.422 5.161 4.740 -0.001 0.000 0.232 384 N C -0.353 175.135 175.510 -0.036 0.000 1.015 384 N CA -0.280 52.737 53.050 -0.054 0.000 0.931 384 N CB 1.802 40.264 38.487 -0.040 0.000 1.150 384 N HN 0.734 nan 8.380 nan 0.000 0.512 385 K N 0.000 120.390 120.400 -0.017 0.000 2.780 385 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 385 K CA 0.000 56.290 56.287 0.005 0.000 0.838 385 K CB 0.000 32.511 32.500 0.018 0.000 1.064 385 K HN 0.000 nan 8.250 nan 0.000 0.543