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 3cky_1_B DATA FIRST_RESID 4 DATA SEQUENCE SIKIGFIGLG AMGKPMAINL LKEGVTVYAF DLMEANVAAV VAQGAQACEN DATA SEQUENCE NQKVAAASDI IFTSLPNAGI VETVMNGPGG VLSACKAGTV IVDMSSVSPS DATA SEQUENCE STLKMAKVAA EKGIDYVDAP VSGGTKGAEA GTLTIMVGAS EAVFEKIQPV DATA SEQUENCE LSVIGKDIYH VGDTGAGDAV KIVNNLLLGC NMASLAEALV LGVKCGLKPE DATA SEQUENCE TMQEIIGKSS GRSYAMEAKM EKFIMSGDFA GGFAMDLQHK DLGLALEAGK DATA SEQUENCE EGNVPLPMTA MATQIFEGGR AMGLGREDMS AVIKVWEQMT GVSVSG 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.618 174.600 0.030 0.000 1.055 4 S CA 0.000 58.212 58.200 0.019 0.000 1.107 4 S CB 0.000 63.208 63.200 0.014 0.000 0.593 5 I N 3.301 123.886 120.570 0.025 0.000 2.692 5 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 5 I C -0.587 175.565 176.117 0.059 0.000 1.159 5 I CA 0.299 61.618 61.300 0.031 0.000 1.423 5 I CB 0.556 38.565 38.000 0.014 0.000 1.380 5 I HN 0.196 nan 8.210 nan 0.000 0.580 6 K N 8.078 128.529 120.400 0.085 0.000 2.307 6 K HA 0.473 4.792 4.320 -0.000 0.000 0.263 6 K C -1.120 175.574 176.600 0.156 0.000 0.973 6 K CA -0.722 55.665 56.287 0.166 0.000 0.846 6 K CB 1.547 34.211 32.500 0.274 0.000 1.100 6 K HN 0.386 nan 8.250 nan 0.000 0.438 7 I N 1.995 122.670 120.570 0.175 0.000 2.392 7 I HA 0.406 4.575 4.170 -0.000 0.000 0.295 7 I C 0.729 176.982 176.117 0.227 0.000 0.985 7 I CA -0.691 60.704 61.300 0.158 0.000 1.221 7 I CB 1.248 39.362 38.000 0.190 0.000 1.366 7 I HN 0.668 nan 8.210 nan 0.000 0.467 8 G N 4.771 113.630 108.800 0.098 0.000 2.524 8 G HA2 0.709 4.669 3.960 -0.000 0.000 0.310 8 G HA3 0.709 4.669 3.960 -0.000 0.000 0.310 8 G C -1.734 173.142 174.900 -0.040 0.000 1.279 8 G CA -0.301 44.890 45.100 0.152 0.000 0.974 8 G HN 0.251 nan 8.290 nan 0.000 0.484 9 F N 1.856 121.930 119.950 0.207 0.000 2.500 9 F HA 0.367 4.894 4.527 -0.000 0.000 0.349 9 F C 0.100 176.000 175.800 0.168 0.000 1.127 9 F CA -0.897 57.214 58.000 0.185 0.000 0.998 9 F CB 2.034 41.110 39.000 0.127 0.000 1.237 9 F HN 0.113 nan 8.300 nan 0.000 0.439 10 I N 4.117 124.853 120.570 0.276 0.000 2.260 10 I HA 0.395 4.565 4.170 -0.000 0.000 0.297 10 I C 0.670 176.926 176.117 0.231 0.000 1.143 10 I CA 0.026 61.474 61.300 0.248 0.000 1.271 10 I CB -0.427 37.675 38.000 0.169 0.000 1.461 10 I HN 0.726 nan 8.210 nan 0.000 0.530 11 G N 6.028 114.951 108.800 0.205 0.000 2.788 11 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 11 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 11 G C -0.933 174.035 174.900 0.113 0.000 1.147 11 G CA -0.999 44.168 45.100 0.111 0.000 0.755 11 G HN 0.467 nan 8.290 nan 0.000 0.634 12 L N 2.861 124.089 121.223 0.009 0.000 2.502 12 L HA 0.528 4.868 4.340 -0.000 0.000 0.249 12 L C 1.340 178.178 176.870 -0.054 0.000 1.446 12 L CA -0.002 54.807 54.840 -0.052 0.000 0.887 12 L CB 0.708 42.699 42.059 -0.113 0.000 1.126 12 L HN 0.994 nan 8.230 nan 0.000 0.509 13 G N 0.100 108.889 108.800 -0.017 0.000 2.546 13 G HA2 0.360 4.320 3.960 -0.000 0.000 0.239 13 G HA3 0.360 4.320 3.960 -0.000 0.000 0.239 13 G C 1.113 175.996 174.900 -0.029 0.000 1.476 13 G CA 0.372 45.463 45.100 -0.015 0.000 1.064 13 G HN 0.443 nan 8.290 nan 0.000 0.561 14 A N -1.330 121.483 122.820 -0.012 0.000 1.972 14 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 14 A C 2.355 179.927 177.584 -0.020 0.000 1.169 14 A CA 1.862 53.890 52.037 -0.015 0.000 0.635 14 A CB -0.296 18.705 19.000 0.002 0.000 0.810 14 A HN 0.401 nan 8.150 nan 0.000 0.446 15 M N -1.213 118.383 119.600 -0.006 0.000 2.299 15 M HA 0.062 4.541 4.480 -0.000 0.000 0.264 15 M C 2.396 178.674 176.300 -0.036 0.000 1.095 15 M CA 1.354 56.650 55.300 -0.006 0.000 1.165 15 M CB -1.838 30.780 32.600 0.029 0.000 1.349 15 M HN 0.410 nan 8.290 nan 0.000 0.446 16 G N 0.777 109.561 108.800 -0.026 0.000 2.440 16 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 16 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 16 G C 1.800 176.501 174.900 -0.333 0.000 1.154 16 G CA 1.337 46.386 45.100 -0.085 0.000 0.767 16 G HN 0.406 nan 8.290 nan 0.000 0.552 17 K N 0.784 121.043 120.400 -0.236 0.000 1.985 17 K HA -0.061 4.259 4.320 -0.000 0.000 0.210 17 K C 0.159 176.616 176.600 -0.238 0.000 1.047 17 K CA 1.528 57.663 56.287 -0.254 0.000 0.932 17 K CB -0.431 31.977 32.500 -0.154 0.000 0.716 17 K HN 0.254 nan 8.250 nan 0.000 0.439 18 P HA -0.179 nan 4.420 nan 0.000 0.218 18 P C 1.235 178.447 177.300 -0.147 0.000 1.149 18 P CA 1.586 64.609 63.100 -0.127 0.000 0.817 18 P CB -0.059 31.593 31.700 -0.081 0.000 0.785 19 M N -0.301 119.195 119.600 -0.174 0.000 2.086 19 M HA -0.124 4.355 4.480 -0.000 0.000 0.261 19 M C 2.411 178.590 176.300 -0.201 0.000 1.067 19 M CA 2.197 57.402 55.300 -0.158 0.000 1.116 19 M CB -1.026 31.506 32.600 -0.113 0.000 1.348 19 M HN -0.083 nan 8.290 nan 0.000 0.407 20 A N 0.637 123.156 122.820 -0.501 0.000 1.908 20 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 20 A C 2.070 179.525 177.584 -0.215 0.000 1.181 20 A CA 1.585 53.306 52.037 -0.527 0.000 0.627 20 A CB -0.969 17.482 19.000 -0.914 0.000 0.818 20 A HN 0.465 nan 8.150 nan 0.000 0.445 21 I N 0.006 120.457 120.570 -0.199 0.000 2.226 21 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 21 I C 2.112 178.181 176.117 -0.081 0.000 1.100 21 I CA 1.236 62.463 61.300 -0.121 0.000 1.374 21 I CB -0.464 37.470 38.000 -0.109 0.000 1.057 21 I HN 0.311 nan 8.210 nan 0.000 0.413 22 N N 0.868 119.521 118.700 -0.078 0.000 2.166 22 N HA -0.133 4.606 4.740 -0.000 0.000 0.186 22 N C 1.937 177.426 175.510 -0.034 0.000 1.019 22 N CA 1.268 54.287 53.050 -0.051 0.000 0.856 22 N CB -0.374 38.083 38.487 -0.050 0.000 0.993 22 N HN 0.325 nan 8.380 nan 0.000 0.426 23 L N 0.486 121.695 121.223 -0.024 0.000 2.056 23 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 23 L C 2.183 179.053 176.870 -0.000 0.000 1.078 23 L CA 0.699 55.545 54.840 0.010 0.000 0.749 23 L CB -0.334 41.769 42.059 0.073 0.000 0.901 23 L HN 0.116 nan 8.230 nan 0.000 0.433 24 L N -0.484 120.727 121.223 -0.020 0.000 2.141 24 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 24 L C 2.443 179.296 176.870 -0.028 0.000 1.094 24 L CA 1.236 56.058 54.840 -0.030 0.000 0.763 24 L CB -0.391 41.639 42.059 -0.048 0.000 0.908 24 L HN 0.201 nan 8.230 nan 0.000 0.437 25 K N -0.263 120.119 120.400 -0.030 0.000 2.365 25 K HA -0.089 4.231 4.320 -0.000 0.000 0.199 25 K C 1.202 177.790 176.600 -0.019 0.000 1.045 25 K CA 0.597 56.868 56.287 -0.026 0.000 0.962 25 K CB 0.111 32.595 32.500 -0.028 0.000 0.759 25 K HN 0.242 nan 8.250 nan 0.000 0.469 26 E N -0.219 119.971 120.200 -0.016 0.000 2.465 26 E HA 0.043 4.392 4.350 -0.000 0.000 0.191 26 E C 0.828 177.422 176.600 -0.010 0.000 1.053 26 E CA 0.212 56.605 56.400 -0.011 0.000 0.869 26 E CB 0.629 30.325 29.700 -0.008 0.000 0.977 26 E HN 0.418 nan 8.360 nan 0.000 0.483 27 G N 1.292 110.084 108.800 -0.014 0.000 2.160 27 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.251 27 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.251 27 G C 0.414 175.306 174.900 -0.012 0.000 1.008 27 G CA 0.432 45.523 45.100 -0.015 0.000 0.724 27 G HN 0.186 nan 8.290 nan 0.000 0.514 28 V N 1.079 120.989 119.914 -0.006 0.000 2.583 28 V HA 0.402 4.521 4.120 -0.000 0.000 0.287 28 V C 1.209 177.295 176.094 -0.013 0.000 1.051 28 V CA 0.240 62.542 62.300 0.005 0.000 1.010 28 V CB 1.364 33.205 31.823 0.029 0.000 0.988 28 V HN 0.339 nan 8.190 nan 0.000 0.478 29 T N 5.069 119.607 114.554 -0.027 0.000 2.799 29 T HA 0.315 4.665 4.350 -0.000 0.000 0.296 29 T C -0.123 174.512 174.700 -0.108 0.000 0.947 29 T CA -0.005 62.032 62.100 -0.106 0.000 1.141 29 T CB 0.515 69.312 68.868 -0.117 0.000 0.891 29 T HN 0.422 nan 8.240 nan 0.000 0.533 30 V N 5.172 124.988 119.914 -0.163 0.000 2.407 30 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 30 V C -0.860 175.152 176.094 -0.138 0.000 1.018 30 V CA -1.050 61.240 62.300 -0.017 0.000 0.842 30 V CB 0.709 32.596 31.823 0.106 0.000 0.996 30 V HN 0.769 nan 8.190 nan 0.000 0.426 31 Y N 2.566 122.967 120.300 0.169 0.000 2.335 31 Y HA 0.794 5.344 4.550 -0.000 0.000 0.323 31 Y C 0.520 176.556 175.900 0.227 0.000 1.224 31 Y CA -0.406 57.786 58.100 0.154 0.000 1.241 31 Y CB 1.763 40.291 38.460 0.113 0.000 1.235 31 Y HN 0.746 nan 8.280 nan 0.000 0.492 32 A N 2.691 125.721 122.820 0.350 0.000 2.566 32 A HA 0.688 5.008 4.320 -0.000 0.000 0.297 32 A C -2.240 175.530 177.584 0.310 0.000 1.059 32 A CA -0.564 51.658 52.037 0.308 0.000 0.691 32 A CB 1.040 20.146 19.000 0.177 0.000 1.282 32 A HN 0.601 nan 8.150 nan 0.000 0.401 33 F N 1.804 121.838 119.950 0.140 0.000 2.578 33 F HA 0.742 5.269 4.527 -0.000 0.000 0.311 33 F C -1.298 174.552 175.800 0.084 0.000 1.094 33 F CA -0.454 57.603 58.000 0.094 0.000 0.923 33 F CB 1.851 40.900 39.000 0.082 0.000 1.230 33 F HN 0.630 nan 8.300 nan 0.000 0.450 34 D N 5.303 125.120 120.400 -0.972 0.000 2.753 34 D HA 0.212 4.852 4.640 -0.000 0.000 0.224 34 D C 0.164 175.849 176.300 -1.024 0.000 1.213 34 D CA -0.408 53.141 54.000 -0.752 0.000 0.833 34 D CB 2.344 42.956 40.800 -0.313 0.000 1.607 34 D HN 0.519 nan 8.370 nan 0.000 0.463 35 L N 1.495 122.357 121.223 -0.602 0.000 2.201 35 L HA 0.061 4.400 4.340 -0.000 0.000 0.212 35 L C 1.242 177.993 176.870 -0.198 0.000 1.105 35 L CA 1.281 55.931 54.840 -0.316 0.000 0.775 35 L CB -0.542 41.470 42.059 -0.078 0.000 0.913 35 L HN 0.467 nan 8.230 nan 0.000 0.440 36 M N 0.090 119.579 119.600 -0.184 0.000 2.201 36 M HA 0.059 4.539 4.480 -0.000 0.000 0.345 36 M C 1.344 177.567 176.300 -0.129 0.000 1.352 36 M CA -0.027 55.203 55.300 -0.117 0.000 1.218 36 M CB 0.856 33.404 32.600 -0.085 0.000 1.512 36 M HN 0.092 nan 8.290 nan 0.000 0.447 37 E N 2.213 122.357 120.200 -0.093 0.000 2.108 37 E HA -0.282 4.067 4.350 -0.000 0.000 0.203 37 E C 1.959 178.526 176.600 -0.055 0.000 1.022 37 E CA 1.883 58.245 56.400 -0.063 0.000 0.823 37 E CB -0.066 29.619 29.700 -0.024 0.000 0.744 37 E HN 0.899 nan 8.360 nan 0.000 0.456 38 A N 1.578 124.369 122.820 -0.049 0.000 1.978 38 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 38 A C 1.801 179.352 177.584 -0.055 0.000 1.170 38 A CA 1.675 53.686 52.037 -0.043 0.000 0.636 38 A CB -0.441 18.538 19.000 -0.036 0.000 0.810 38 A HN 0.159 nan 8.150 nan 0.000 0.448 39 N N 0.025 118.681 118.700 -0.073 0.000 2.142 39 N HA -0.091 4.648 4.740 -0.000 0.000 0.186 39 N C 1.634 177.091 175.510 -0.088 0.000 1.023 39 N CA 1.508 54.508 53.050 -0.085 0.000 0.852 39 N CB -0.620 37.807 38.487 -0.100 0.000 0.998 39 N HN 0.272 nan 8.380 nan 0.000 0.424 40 V N 1.427 121.290 119.914 -0.086 0.000 2.295 40 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 40 V C 2.390 178.460 176.094 -0.040 0.000 1.049 40 V CA 1.816 64.081 62.300 -0.058 0.000 1.024 40 V CB -1.072 30.728 31.823 -0.039 0.000 0.648 40 V HN 0.297 nan 8.190 nan 0.000 0.447 41 A N 0.072 122.870 122.820 -0.036 0.000 1.933 41 A HA -0.127 4.192 4.320 -0.000 0.000 0.218 41 A C 2.451 180.013 177.584 -0.037 0.000 1.175 41 A CA 2.101 54.122 52.037 -0.027 0.000 0.628 41 A CB -0.814 18.172 19.000 -0.022 0.000 0.814 41 A HN 0.582 nan 8.150 nan 0.000 0.444 42 A N -0.070 122.721 122.820 -0.048 0.000 1.892 42 A HA -0.084 4.235 4.320 -0.000 0.000 0.218 42 A C 2.351 179.897 177.584 -0.064 0.000 1.188 42 A CA 2.633 54.637 52.037 -0.055 0.000 0.631 42 A CB -1.229 17.732 19.000 -0.064 0.000 0.822 42 A HN 1.199 nan 8.150 nan 0.000 0.447 43 V N -3.146 116.721 119.914 -0.078 0.000 2.649 43 V HA -0.052 4.067 4.120 -0.000 0.000 0.248 43 V C 2.122 178.178 176.094 -0.063 0.000 1.054 43 V CA 1.570 63.816 62.300 -0.091 0.000 1.073 43 V CB -0.954 30.789 31.823 -0.134 0.000 0.699 43 V HN 0.166 nan 8.190 nan 0.000 0.463 44 V N 1.416 121.304 119.914 -0.043 0.000 2.469 44 V HA -0.196 3.923 4.120 -0.000 0.000 0.251 44 V C 3.107 179.183 176.094 -0.029 0.000 1.064 44 V CA 2.194 64.478 62.300 -0.028 0.000 1.066 44 V CB -1.209 30.608 31.823 -0.010 0.000 0.667 44 V HN 0.669 nan 8.190 nan 0.000 0.461 45 A N -0.912 121.889 122.820 -0.032 0.000 2.019 45 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 45 A C 2.018 179.582 177.584 -0.034 0.000 1.164 45 A CA 1.223 53.243 52.037 -0.029 0.000 0.644 45 A CB -0.247 18.735 19.000 -0.029 0.000 0.805 45 A HN 0.536 nan 8.150 nan 0.000 0.449 46 Q N -1.489 118.285 119.800 -0.043 0.000 2.320 46 Q HA 0.240 4.579 4.340 -0.000 0.000 0.201 46 Q C 0.999 176.972 176.000 -0.046 0.000 0.910 46 Q CA 0.756 56.531 55.803 -0.045 0.000 0.946 46 Q CB 0.502 29.207 28.738 -0.056 0.000 1.062 46 Q HN 0.953 nan 8.270 nan 0.000 0.503 47 G N -0.010 108.763 108.800 -0.044 0.000 2.175 47 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.182 47 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.182 47 G C 0.286 175.150 174.900 -0.060 0.000 1.003 47 G CA -0.160 44.913 45.100 -0.047 0.000 0.666 47 G HN 0.510 nan 8.290 nan 0.000 0.506 48 A N 0.067 122.853 122.820 -0.058 0.000 2.386 48 A HA 0.645 4.964 4.320 -0.000 0.000 0.248 48 A C 0.492 178.045 177.584 -0.050 0.000 1.082 48 A CA 0.319 52.319 52.037 -0.061 0.000 0.789 48 A CB 0.313 19.286 19.000 -0.045 0.000 1.025 48 A HN 0.429 nan 8.150 nan 0.000 0.490 49 Q N 0.826 120.580 119.800 -0.076 0.000 2.368 49 Q HA 0.473 4.813 4.340 -0.000 0.000 0.256 49 Q C 0.017 176.086 176.000 0.114 0.000 0.980 49 Q CA -0.413 55.385 55.803 -0.009 0.000 0.887 49 Q CB 1.580 30.265 28.738 -0.088 0.000 1.221 49 Q HN 0.847 nan 8.270 nan 0.000 0.458 50 A N 2.136 125.022 122.820 0.110 0.000 2.445 50 A HA 0.349 4.669 4.320 -0.000 0.000 0.242 50 A C -0.316 177.382 177.584 0.189 0.000 1.075 50 A CA -0.213 51.911 52.037 0.145 0.000 0.777 50 A CB 0.393 19.457 19.000 0.106 0.000 1.013 50 A HN 0.855 nan 8.150 nan 0.000 0.493 51 C N 0.784 120.222 119.300 0.230 0.000 2.779 51 C HA 0.531 4.991 4.460 -0.000 0.000 0.314 51 C C 1.565 176.670 174.990 0.192 0.000 1.231 51 C CA -0.483 58.646 59.018 0.185 0.000 1.652 51 C CB 1.868 29.708 27.740 0.167 0.000 2.198 51 C HN 0.978 nan 8.230 nan 0.000 0.483 52 E N 1.340 121.566 120.200 0.044 0.000 2.285 52 E HA -0.049 4.300 4.350 -0.000 0.000 0.194 52 E C 0.036 176.417 176.600 -0.365 0.000 0.997 52 E CA 0.988 57.380 56.400 -0.014 0.000 0.845 52 E CB -0.166 29.517 29.700 -0.029 0.000 0.782 52 E HN 0.853 nan 8.360 nan 0.000 0.491 53 N N -0.812 117.511 118.700 -0.629 0.000 3.179 53 N HA 0.084 4.824 4.740 -0.000 0.000 0.250 53 N C -0.084 175.014 175.510 -0.686 0.000 1.507 53 N CA -0.650 51.686 53.050 -1.190 0.000 0.883 53 N CB -0.033 38.094 38.487 -0.600 0.000 1.435 53 N HN -0.354 nan 8.380 nan 0.000 0.532 54 N N -0.098 118.306 118.700 -0.494 0.000 2.104 54 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 54 N C 1.002 176.461 175.510 -0.085 0.000 1.024 54 N CA 1.396 54.380 53.050 -0.110 0.000 0.853 54 N CB -0.255 38.225 38.487 -0.011 0.000 1.008 54 N HN 0.592 nan 8.380 nan 0.000 0.424 55 Q N 0.308 120.035 119.800 -0.121 0.000 2.124 55 Q HA -0.081 4.258 4.340 -0.000 0.000 0.202 55 Q C 1.705 177.651 176.000 -0.091 0.000 0.977 55 Q CA 1.183 56.934 55.803 -0.087 0.000 0.850 55 Q CB -0.005 28.682 28.738 -0.085 0.000 0.901 55 Q HN 0.190 nan 8.270 nan 0.000 0.429 56 K N -0.090 120.243 120.400 -0.111 0.000 2.062 56 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 56 K C 1.952 178.487 176.600 -0.109 0.000 1.051 56 K CA 0.698 56.923 56.287 -0.103 0.000 0.941 56 K CB -0.202 32.245 32.500 -0.089 0.000 0.719 56 K HN -0.024 nan 8.250 nan 0.000 0.440 57 V N 0.971 120.854 119.914 -0.052 0.000 2.287 57 V HA -0.297 3.822 4.120 -0.000 0.000 0.248 57 V C 2.220 178.272 176.094 -0.069 0.000 1.053 57 V CA 2.077 64.370 62.300 -0.011 0.000 1.027 57 V CB -0.903 30.989 31.823 0.114 0.000 0.646 57 V HN 0.382 nan 8.190 nan 0.000 0.447 58 A N 0.195 122.982 122.820 -0.055 0.000 1.865 58 A HA -0.185 4.134 4.320 -0.000 0.000 0.217 58 A C 2.440 179.969 177.584 -0.092 0.000 1.191 58 A CA 2.424 54.425 52.037 -0.060 0.000 0.623 58 A CB -0.964 18.011 19.000 -0.042 0.000 0.826 58 A HN 0.612 nan 8.150 nan 0.000 0.444 59 A N -0.615 122.140 122.820 -0.108 0.000 1.972 59 A HA 0.194 4.514 4.320 -0.000 0.000 0.219 59 A C 2.365 179.849 177.584 -0.167 0.000 1.169 59 A CA 2.037 54.004 52.037 -0.116 0.000 0.635 59 A CB -0.742 18.196 19.000 -0.104 0.000 0.810 59 A HN 1.101 nan 8.150 nan 0.000 0.446 60 A N -0.990 121.662 122.820 -0.281 0.000 2.081 60 A HA 0.351 4.671 4.320 -0.000 0.000 0.214 60 A C 1.270 178.648 177.584 -0.344 0.000 1.158 60 A CA 0.744 52.494 52.037 -0.478 0.000 0.724 60 A CB -0.135 18.199 19.000 -1.110 0.000 0.826 60 A HN 0.359 nan 8.150 nan 0.000 0.463 61 S N 0.286 115.872 115.700 -0.189 0.000 2.608 61 S HA 0.387 4.856 4.470 -0.000 0.000 0.291 61 S C -0.170 174.409 174.600 -0.035 0.000 1.146 61 S CA -0.584 57.597 58.200 -0.032 0.000 1.043 61 S CB 1.361 64.566 63.200 0.009 0.000 1.037 61 S HN 0.360 nan 8.310 nan 0.000 0.520 62 D N 0.601 120.995 120.400 -0.010 0.000 2.323 62 D HA 0.239 4.879 4.640 -0.000 0.000 0.218 62 D C 0.117 176.363 176.300 -0.090 0.000 0.973 62 D CA 0.826 54.802 54.000 -0.041 0.000 0.890 62 D CB 0.301 41.089 40.800 -0.019 0.000 1.011 62 D HN 0.369 nan 8.370 nan 0.000 0.499 63 I N 1.387 121.891 120.570 -0.109 0.000 2.447 63 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 63 I C -0.757 175.180 176.117 -0.299 0.000 1.023 63 I CA -0.558 60.598 61.300 -0.241 0.000 1.083 63 I CB 2.481 40.331 38.000 -0.251 0.000 1.245 63 I HN -0.328 nan 8.210 nan 0.000 0.434 64 I N 5.843 126.169 120.570 -0.406 0.000 2.406 64 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 64 I C -0.901 174.898 176.117 -0.530 0.000 0.999 64 I CA -0.453 60.643 61.300 -0.340 0.000 1.124 64 I CB 1.539 39.430 38.000 -0.183 0.000 1.289 64 I HN 0.303 nan 8.210 nan 0.000 0.441 65 F N 3.533 123.244 119.950 -0.399 0.000 2.421 65 F HA 0.606 5.132 4.527 -0.000 0.000 0.337 65 F C 0.587 176.306 175.800 -0.135 0.000 1.105 65 F CA -0.336 57.468 58.000 -0.325 0.000 1.049 65 F CB 1.988 40.668 39.000 -0.534 0.000 1.139 65 F HN 0.283 nan 8.300 nan 0.000 0.479 66 T N 1.217 115.840 114.554 0.114 0.000 2.894 66 T HA 0.542 4.892 4.350 -0.000 0.000 0.309 66 T C -1.507 173.274 174.700 0.134 0.000 1.208 66 T CA -0.632 61.547 62.100 0.131 0.000 1.016 66 T CB 1.508 70.424 68.868 0.079 0.000 1.192 66 T HN 0.532 nan 8.240 nan 0.000 0.491 67 S N 3.635 119.415 115.700 0.134 0.000 2.673 67 S HA 0.628 5.098 4.470 -0.000 0.000 0.256 67 S C -1.195 173.463 174.600 0.096 0.000 1.141 67 S CA -0.617 57.650 58.200 0.112 0.000 1.109 67 S CB -0.151 63.118 63.200 0.115 0.000 1.101 67 S HN 0.589 nan 8.310 nan 0.000 0.471 68 L N 4.944 126.220 121.223 0.090 0.000 2.332 68 L HA 0.573 4.912 4.340 -0.000 0.000 0.269 68 L C -1.502 175.407 176.870 0.066 0.000 1.016 68 L CA -2.505 52.382 54.840 0.079 0.000 0.809 68 L CB 1.329 43.438 42.059 0.084 0.000 1.280 68 L HN 0.353 nan 8.230 nan 0.000 0.447 69 P HA -0.053 nan 4.420 nan 0.000 0.219 69 P C -0.893 176.432 177.300 0.042 0.000 1.150 69 P CA 0.987 64.115 63.100 0.045 0.000 0.814 69 P CB 0.093 31.815 31.700 0.037 0.000 0.787 70 N N -3.869 114.857 118.700 0.044 0.000 3.106 70 N HA 0.445 5.184 4.740 -0.000 0.000 0.253 70 N C 0.379 175.914 175.510 0.041 0.000 1.506 70 N CA -0.378 52.695 53.050 0.038 0.000 0.876 70 N CB -0.129 38.375 38.487 0.028 0.000 1.452 70 N HN -0.212 nan 8.380 nan 0.000 0.542 71 A N -0.365 122.475 122.820 0.033 0.000 1.972 71 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 71 A C 1.913 179.511 177.584 0.022 0.000 1.169 71 A CA 1.972 54.026 52.037 0.028 0.000 0.635 71 A CB -1.673 17.337 19.000 0.017 0.000 0.810 71 A HN 0.805 nan 8.150 nan 0.000 0.446 72 G N 0.032 108.844 108.800 0.020 0.000 2.418 72 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 72 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 72 G C 1.494 176.409 174.900 0.025 0.000 1.158 72 G CA 1.164 46.274 45.100 0.018 0.000 0.771 72 G HN 0.495 nan 8.290 nan 0.000 0.545 73 I N 0.241 120.831 120.570 0.034 0.000 2.353 73 I HA -0.089 4.081 4.170 -0.000 0.000 0.248 73 I C 2.717 178.865 176.117 0.053 0.000 1.119 73 I CA 0.132 61.458 61.300 0.042 0.000 1.417 73 I CB -0.147 37.881 38.000 0.047 0.000 1.078 73 I HN 0.005 nan 8.210 nan 0.000 0.421 74 V N 1.013 120.962 119.914 0.059 0.000 2.255 74 V HA -0.350 3.770 4.120 -0.000 0.000 0.247 74 V C 2.522 178.648 176.094 0.053 0.000 1.051 74 V CA 2.366 64.712 62.300 0.077 0.000 1.018 74 V CB -0.660 31.217 31.823 0.090 0.000 0.641 74 V HN 0.503 nan 8.190 nan 0.000 0.445 75 E N -0.316 119.898 120.200 0.023 0.000 2.085 75 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 75 E C 2.218 178.826 176.600 0.013 0.000 0.994 75 E CA 1.921 58.322 56.400 0.002 0.000 0.801 75 E CB -0.141 29.554 29.700 -0.009 0.000 0.743 75 E HN 0.646 nan 8.360 nan 0.000 0.453 76 T N 0.244 114.811 114.554 0.022 0.000 2.708 76 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 76 T C 1.914 176.633 174.700 0.033 0.000 1.037 76 T CA 1.356 63.471 62.100 0.024 0.000 1.146 76 T CB -0.201 68.684 68.868 0.028 0.000 0.865 76 T HN 0.028 nan 8.240 nan 0.000 0.435 77 V N 1.394 121.337 119.914 0.048 0.000 2.343 77 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 77 V C 2.519 178.647 176.094 0.056 0.000 1.051 77 V CA 1.382 63.718 62.300 0.060 0.000 1.036 77 V CB -0.458 31.414 31.823 0.081 0.000 0.654 77 V HN 0.419 nan 8.190 nan 0.000 0.451 78 M N -0.696 118.941 119.600 0.062 0.000 2.191 78 M HA -0.025 4.454 4.480 -0.000 0.000 0.262 78 M C 1.996 178.315 176.300 0.032 0.000 1.083 78 M CA 1.641 56.982 55.300 0.069 0.000 1.154 78 M CB -1.317 31.341 32.600 0.096 0.000 1.344 78 M HN 0.425 nan 8.290 nan 0.000 0.431 79 N N -0.465 118.241 118.700 0.011 0.000 2.294 79 N HA 0.064 4.804 4.740 -0.000 0.000 0.186 79 N C 0.824 176.333 175.510 -0.003 0.000 1.107 79 N CA -0.113 52.933 53.050 -0.006 0.000 0.884 79 N CB 0.911 39.382 38.487 -0.027 0.000 1.030 79 N HN 0.204 nan 8.380 nan 0.000 0.482 80 G N 1.421 110.224 108.800 0.004 0.000 2.667 80 G HA2 0.187 4.147 3.960 -0.000 0.000 0.250 80 G HA3 0.187 4.147 3.960 -0.000 0.000 0.250 80 G C -2.429 172.472 174.900 0.001 0.000 1.212 80 G CA -0.674 44.428 45.100 0.004 0.000 0.874 80 G HN 0.075 nan 8.290 nan 0.000 0.561 81 P HA 0.092 nan 4.420 nan 0.000 0.259 81 P C 0.861 178.158 177.300 -0.006 0.000 1.163 81 P CA 1.691 64.789 63.100 -0.003 0.000 0.760 81 P CB 0.393 32.092 31.700 -0.002 0.000 0.762 82 G N 2.658 111.452 108.800 -0.010 0.000 2.323 82 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.292 82 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.292 82 G C 0.688 175.579 174.900 -0.014 0.000 1.040 82 G CA -0.116 44.975 45.100 -0.016 0.000 0.942 82 G HN 0.864 nan 8.290 nan 0.000 0.506 83 G N -1.776 107.020 108.800 -0.006 0.000 2.651 83 G HA2 0.472 4.432 3.960 -0.000 0.000 0.260 83 G HA3 0.472 4.432 3.960 -0.000 0.000 0.260 83 G C 1.266 176.167 174.900 0.002 0.000 1.216 83 G CA 0.118 45.220 45.100 0.003 0.000 0.913 83 G HN 0.682 nan 8.290 nan 0.000 0.535 84 V N 0.245 120.169 119.914 0.017 0.000 2.343 84 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 84 V C 2.929 179.032 176.094 0.015 0.000 1.051 84 V CA 1.150 63.460 62.300 0.017 0.000 1.036 84 V CB -0.580 31.267 31.823 0.040 0.000 0.654 84 V HN 0.456 nan 8.190 nan 0.000 0.451 85 L N 1.044 122.285 121.223 0.030 0.000 2.012 85 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 85 L C 2.789 179.663 176.870 0.006 0.000 1.073 85 L CA 2.571 57.428 54.840 0.028 0.000 0.748 85 L CB -1.440 40.637 42.059 0.030 0.000 0.891 85 L HN 0.611 nan 8.230 nan 0.000 0.431 86 S N -1.190 114.509 115.700 -0.001 0.000 2.442 86 S HA -0.065 4.405 4.470 -0.000 0.000 0.236 86 S C 1.818 176.408 174.600 -0.017 0.000 1.007 86 S CA 0.783 58.977 58.200 -0.010 0.000 0.965 86 S CB -0.382 62.811 63.200 -0.012 0.000 0.773 86 S HN 0.327 nan 8.310 nan 0.000 0.504 87 A N -0.240 122.567 122.820 -0.020 0.000 2.267 87 A HA 0.408 4.728 4.320 -0.000 0.000 0.213 87 A C 0.908 178.470 177.584 -0.037 0.000 1.192 87 A CA -0.225 51.793 52.037 -0.032 0.000 0.851 87 A CB -0.581 18.394 19.000 -0.040 0.000 0.881 87 A HN 0.589 nan 8.150 nan 0.000 0.494 88 C N 1.286 120.569 119.300 -0.028 0.000 2.536 88 C HA 0.381 4.841 4.460 -0.000 0.000 0.396 88 C C 0.826 175.798 174.990 -0.030 0.000 1.279 88 C CA -0.626 58.373 59.018 -0.033 0.000 2.148 88 C CB 0.052 27.778 27.740 -0.023 0.000 2.584 88 C HN 0.497 nan 8.230 nan 0.000 0.579 89 K N 1.748 122.126 120.400 -0.037 0.000 2.295 89 K HA 0.444 4.764 4.320 -0.000 0.000 0.270 89 K C 0.369 176.954 176.600 -0.025 0.000 1.011 89 K CA -0.023 56.245 56.287 -0.031 0.000 0.953 89 K CB 0.447 32.926 32.500 -0.035 0.000 0.956 89 K HN 0.845 nan 8.250 nan 0.000 0.477 90 A N 1.326 124.135 122.820 -0.019 0.000 2.498 90 A HA 0.396 4.716 4.320 -0.000 0.000 0.239 90 A C 1.231 178.803 177.584 -0.019 0.000 1.068 90 A CA 0.700 52.727 52.037 -0.015 0.000 0.766 90 A CB -0.584 18.409 19.000 -0.012 0.000 1.003 90 A HN 0.920 nan 8.150 nan 0.000 0.497 91 G N 1.452 110.241 108.800 -0.019 0.000 2.176 91 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 91 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 91 G C 0.470 175.347 174.900 -0.037 0.000 0.979 91 G CA 0.493 45.578 45.100 -0.024 0.000 0.641 91 G HN 1.208 nan 8.290 nan 0.000 0.530 92 T N 0.932 115.462 114.554 -0.041 0.000 2.919 92 T HA 0.475 4.824 4.350 -0.000 0.000 0.302 92 T C 0.448 175.102 174.700 -0.077 0.000 1.031 92 T CA 0.173 62.236 62.100 -0.061 0.000 1.127 92 T CB 2.262 71.094 68.868 -0.059 0.000 0.952 92 T HN 0.529 nan 8.240 nan 0.000 0.540 93 V N 4.431 124.272 119.914 -0.122 0.000 2.398 93 V HA 0.426 4.545 4.120 -0.000 0.000 0.286 93 V C 0.150 176.092 176.094 -0.254 0.000 1.026 93 V CA -0.787 61.413 62.300 -0.165 0.000 0.868 93 V CB 1.332 33.045 31.823 -0.183 0.000 0.982 93 V HN 0.757 nan 8.190 nan 0.000 0.443 94 I N 4.734 125.126 120.570 -0.296 0.000 2.336 94 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 94 I C -0.504 175.264 176.117 -0.581 0.000 0.991 94 I CA -0.601 60.428 61.300 -0.451 0.000 1.227 94 I CB 1.882 39.589 38.000 -0.489 0.000 1.366 94 I HN 0.297 nan 8.210 nan 0.000 0.466 95 V N 5.256 124.829 119.914 -0.569 0.000 2.293 95 V HA 0.183 4.303 4.120 -0.000 0.000 0.275 95 V C -0.268 175.646 176.094 -0.300 0.000 1.021 95 V CA -0.519 61.498 62.300 -0.471 0.000 0.815 95 V CB 1.180 32.616 31.823 -0.645 0.000 1.025 95 V HN 0.596 nan 8.190 nan 0.000 0.448 96 D N 4.978 125.215 120.400 -0.271 0.000 2.347 96 D HA 0.365 5.005 4.640 -0.000 0.000 0.235 96 D C 0.595 176.909 176.300 0.023 0.000 1.149 96 D CA -0.224 53.716 54.000 -0.101 0.000 0.850 96 D CB 1.494 42.264 40.800 -0.049 0.000 1.061 96 D HN 0.461 nan 8.370 nan 0.000 0.487 97 M N 1.164 120.808 119.600 0.073 0.000 2.431 97 M HA 0.106 4.585 4.480 -0.000 0.000 0.237 97 M C 0.596 176.951 176.300 0.091 0.000 1.130 97 M CA -0.259 55.100 55.300 0.099 0.000 1.002 97 M CB 0.359 33.040 32.600 0.135 0.000 1.524 97 M HN 0.088 nan 8.290 nan 0.000 0.482 98 S N 0.994 116.748 115.700 0.090 0.000 2.568 98 S HA 0.031 4.501 4.470 -0.000 0.000 0.282 98 S C 0.500 175.145 174.600 0.076 0.000 1.338 98 S CA -0.259 57.992 58.200 0.085 0.000 1.045 98 S CB 0.912 64.167 63.200 0.092 0.000 0.873 98 S HN 0.329 nan 8.310 nan 0.000 0.516 99 S N 2.468 118.208 115.700 0.067 0.000 2.681 99 S HA 0.437 4.906 4.470 -0.000 0.000 0.313 99 S C -0.252 174.378 174.600 0.049 0.000 1.137 99 S CA -0.708 57.526 58.200 0.057 0.000 1.045 99 S CB -1.377 61.857 63.200 0.058 0.000 1.208 99 S HN 0.615 nan 8.310 nan 0.000 0.523 100 V N 2.127 122.071 119.914 0.049 0.000 3.159 100 V HA 0.825 4.945 4.120 -0.000 0.000 0.308 100 V C 0.016 176.131 176.094 0.035 0.000 1.190 100 V CA -1.017 61.308 62.300 0.042 0.000 1.037 100 V CB 1.320 33.175 31.823 0.054 0.000 1.060 100 V HN 0.709 nan 8.190 nan 0.000 0.437 101 S N 0.693 116.408 115.700 0.024 0.000 2.576 101 S HA 0.409 4.879 4.470 -0.000 0.000 0.276 101 S C -1.668 172.945 174.600 0.022 0.000 1.339 101 S CA -0.419 57.791 58.200 0.017 0.000 1.039 101 S CB 0.797 64.002 63.200 0.008 0.000 0.902 101 S HN 0.730 nan 8.310 nan 0.000 0.516 102 P HA -0.191 nan 4.420 nan 0.000 0.216 102 P C 1.900 179.209 177.300 0.015 0.000 1.154 102 P CA 1.964 65.078 63.100 0.023 0.000 0.865 102 P CB -0.270 31.438 31.700 0.015 0.000 0.789 103 S N -1.008 114.695 115.700 0.006 0.000 2.368 103 S HA -0.199 4.270 4.470 -0.000 0.000 0.225 103 S C 2.226 176.818 174.600 -0.013 0.000 1.030 103 S CA 1.656 59.853 58.200 -0.004 0.000 0.999 103 S CB -1.671 61.526 63.200 -0.006 0.000 0.844 103 S HN 0.192 nan 8.310 nan 0.000 0.459 104 S N 1.597 117.293 115.700 -0.007 0.000 2.372 104 S HA -0.191 4.278 4.470 -0.000 0.000 0.227 104 S C 1.954 176.532 174.600 -0.037 0.000 1.044 104 S CA 2.242 60.432 58.200 -0.015 0.000 1.050 104 S CB -1.440 61.765 63.200 0.008 0.000 0.901 104 S HN 0.703 nan 8.310 nan 0.000 0.447 105 T N 2.658 117.213 114.554 0.001 0.000 2.857 105 T HA 0.095 4.445 4.350 -0.000 0.000 0.266 105 T C 1.733 176.408 174.700 -0.041 0.000 1.048 105 T CA 0.966 63.076 62.100 0.017 0.000 1.139 105 T CB -0.281 68.659 68.868 0.119 0.000 0.874 105 T HN 0.186 nan 8.240 nan 0.000 0.455 106 L N 1.871 123.083 121.223 -0.019 0.000 2.042 106 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 106 L C 2.436 179.267 176.870 -0.067 0.000 1.076 106 L CA 1.908 56.733 54.840 -0.026 0.000 0.749 106 L CB -1.105 40.948 42.059 -0.011 0.000 0.893 106 L HN 0.388 nan 8.230 nan 0.000 0.432 107 K N -1.221 119.129 120.400 -0.084 0.000 2.167 107 K HA -0.110 4.210 4.320 -0.000 0.000 0.203 107 K C 1.854 178.357 176.600 -0.162 0.000 1.052 107 K CA 1.061 57.290 56.287 -0.096 0.000 0.956 107 K CB -0.269 32.188 32.500 -0.071 0.000 0.735 107 K HN -0.015 nan 8.250 nan 0.000 0.451 108 M N 0.911 120.347 119.600 -0.274 0.000 2.132 108 M HA 0.090 4.570 4.480 -0.000 0.000 0.263 108 M C 2.344 178.344 176.300 -0.499 0.000 1.065 108 M CA 1.789 56.789 55.300 -0.500 0.000 1.122 108 M CB -1.167 30.857 32.600 -0.959 0.000 1.365 108 M HN 0.414 nan 8.290 nan 0.000 0.411 109 A N -0.048 122.554 122.820 -0.364 0.000 1.933 109 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 109 A C 2.318 179.865 177.584 -0.062 0.000 1.175 109 A CA 1.544 53.515 52.037 -0.110 0.000 0.628 109 A CB -0.537 18.475 19.000 0.021 0.000 0.814 109 A HN 0.416 nan 8.150 nan 0.000 0.444 110 K N -0.296 120.057 120.400 -0.079 0.000 2.002 110 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 110 K C 2.119 178.688 176.600 -0.050 0.000 1.048 110 K CA 1.850 58.107 56.287 -0.050 0.000 0.930 110 K CB -0.537 31.933 32.500 -0.050 0.000 0.714 110 K HN 0.536 nan 8.250 nan 0.000 0.438 111 V N -1.382 118.486 119.914 -0.077 0.000 2.407 111 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 111 V C 2.225 178.295 176.094 -0.040 0.000 1.055 111 V CA 1.823 64.086 62.300 -0.060 0.000 1.049 111 V CB -0.966 30.812 31.823 -0.075 0.000 0.662 111 V HN 0.227 nan 8.190 nan 0.000 0.455 112 A N 0.924 123.717 122.820 -0.045 0.000 1.877 112 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 112 A C 2.552 180.149 177.584 0.021 0.000 1.186 112 A CA 2.506 54.554 52.037 0.018 0.000 0.620 112 A CB -1.238 17.824 19.000 0.103 0.000 0.822 112 A HN 1.032 nan 8.150 nan 0.000 0.443 113 A N -0.591 122.237 122.820 0.014 0.000 1.940 113 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 113 A C 2.039 179.625 177.584 0.004 0.000 1.176 113 A CA 1.882 53.927 52.037 0.013 0.000 0.631 113 A CB -0.487 18.520 19.000 0.011 0.000 0.814 113 A HN 0.529 nan 8.150 nan 0.000 0.446 114 E N 0.371 120.569 120.200 -0.003 0.000 2.153 114 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 114 E C 1.086 177.684 176.600 -0.003 0.000 0.988 114 E CA 1.042 57.439 56.400 -0.005 0.000 0.811 114 E CB -0.092 29.602 29.700 -0.010 0.000 0.746 114 E HN 0.543 nan 8.360 nan 0.000 0.466 115 K N -0.751 119.648 120.400 -0.001 0.000 2.444 115 K HA 0.084 4.404 4.320 -0.000 0.000 0.193 115 K C 1.012 177.612 176.600 0.001 0.000 1.024 115 K CA 0.627 56.914 56.287 -0.001 0.000 1.077 115 K CB 0.541 33.042 32.500 0.002 0.000 0.833 115 K HN 0.234 nan 8.250 nan 0.000 0.517 116 G N 2.210 111.012 108.800 0.003 0.000 2.153 116 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 116 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 116 G C 0.072 174.975 174.900 0.004 0.000 0.994 116 G CA 0.003 45.104 45.100 0.002 0.000 0.698 116 G HN 0.298 nan 8.290 nan 0.000 0.521 117 I N 0.986 121.565 120.570 0.015 0.000 2.359 117 I HA 0.314 4.484 4.170 -0.000 0.000 0.294 117 I C -0.427 175.716 176.117 0.043 0.000 0.987 117 I CA -0.865 60.448 61.300 0.022 0.000 1.225 117 I CB 1.230 39.254 38.000 0.039 0.000 1.366 117 I HN -0.076 nan 8.210 nan 0.000 0.466 118 D N 5.700 126.112 120.400 0.020 0.000 2.277 118 D HA 0.172 4.812 4.640 -0.000 0.000 0.249 118 D C -1.065 175.262 176.300 0.046 0.000 1.134 118 D CA 0.127 54.145 54.000 0.031 0.000 0.863 118 D CB 1.527 42.321 40.800 -0.009 0.000 1.143 118 D HN 0.345 nan 8.370 nan 0.000 0.458 119 Y N 1.821 122.103 120.300 -0.030 0.000 2.328 119 Y HA 0.370 4.919 4.550 -0.000 0.000 0.336 119 Y C -0.897 174.993 175.900 -0.017 0.000 0.960 119 Y CA -0.576 57.506 58.100 -0.031 0.000 1.134 119 Y CB 1.190 39.637 38.460 -0.020 0.000 1.166 119 Y HN 0.068 nan 8.280 nan 0.000 0.464 120 V N 6.176 126.002 119.914 -0.147 0.000 2.588 120 V HA 0.234 4.354 4.120 -0.000 0.000 0.304 120 V C -1.008 175.062 176.094 -0.041 0.000 1.042 120 V CA -1.021 61.257 62.300 -0.036 0.000 0.877 120 V CB 1.915 33.693 31.823 -0.075 0.000 0.996 120 V HN 0.776 nan 8.190 nan 0.000 0.425 121 D N 4.053 124.498 120.400 0.075 0.000 2.277 121 D HA 0.496 5.136 4.640 -0.000 0.000 0.249 121 D C -0.045 176.301 176.300 0.077 0.000 1.134 121 D CA -0.464 53.584 54.000 0.081 0.000 0.863 121 D CB 2.147 43.012 40.800 0.108 0.000 1.143 121 D HN 0.627 nan 8.370 nan 0.000 0.458 122 A N 3.497 126.361 122.820 0.073 0.000 3.415 122 A HA 0.348 4.668 4.320 -0.000 0.000 0.244 122 A C -2.666 174.984 177.584 0.109 0.000 0.988 122 A CA -1.034 51.065 52.037 0.104 0.000 0.991 122 A CB 0.505 19.569 19.000 0.107 0.000 1.240 122 A HN 0.428 nan 8.150 nan 0.000 0.541 123 P HA 0.314 nan 4.420 nan 0.000 0.269 123 P C 0.188 177.539 177.300 0.086 0.000 1.215 123 P CA 0.347 63.498 63.100 0.084 0.000 0.780 123 P CB 1.359 33.098 31.700 0.064 0.000 0.898 124 V N -1.014 118.945 119.914 0.076 0.000 2.960 124 V HA 0.871 4.991 4.120 -0.000 0.000 0.315 124 V C -0.302 175.818 176.094 0.043 0.000 1.087 124 V CA -0.880 61.462 62.300 0.070 0.000 0.982 124 V CB 1.724 33.590 31.823 0.072 0.000 1.039 124 V HN 0.752 nan 8.190 nan 0.000 0.437 125 S N 0.523 116.243 115.700 0.034 0.000 2.634 125 S HA 0.970 5.439 4.470 -0.000 0.000 0.296 125 S C 0.525 175.132 174.600 0.012 0.000 1.104 125 S CA 0.002 58.205 58.200 0.006 0.000 0.920 125 S CB 1.474 64.659 63.200 -0.026 0.000 1.111 125 S HN 2.704 nan 8.310 nan 0.000 0.493 126 G N -0.380 108.419 108.800 -0.001 0.000 2.336 126 G HA2 0.398 4.358 3.960 -0.000 0.000 0.194 126 G HA3 0.398 4.358 3.960 -0.000 0.000 0.194 126 G C 1.177 176.086 174.900 0.014 0.000 0.999 126 G CA 0.430 45.535 45.100 0.007 0.000 0.669 126 G HN 2.466 nan 8.290 nan 0.000 0.482 127 G N -0.890 107.921 108.800 0.019 0.000 2.642 127 G HA2 0.130 4.090 3.960 -0.000 0.000 0.231 127 G HA3 0.130 4.090 3.960 -0.000 0.000 0.231 127 G C 1.155 176.069 174.900 0.023 0.000 1.338 127 G CA 1.549 46.666 45.100 0.028 0.000 0.883 127 G HN 1.787 nan 8.290 nan 0.000 0.570 128 T N -1.361 113.207 114.554 0.023 0.000 2.904 128 T HA 0.069 4.419 4.350 -0.000 0.000 0.267 128 T C 2.034 176.737 174.700 0.005 0.000 1.059 128 T CA 1.799 63.906 62.100 0.011 0.000 1.137 128 T CB -0.131 68.744 68.868 0.012 0.000 0.879 128 T HN 0.669 nan 8.240 nan 0.000 0.467 129 K N 1.246 121.654 120.400 0.012 0.000 2.057 129 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 129 K C 2.731 179.334 176.600 0.005 0.000 1.049 129 K CA 1.370 57.662 56.287 0.008 0.000 0.931 129 K CB -0.739 31.770 32.500 0.015 0.000 0.714 129 K HN 0.499 nan 8.250 nan 0.000 0.440 130 G N 1.313 110.118 108.800 0.008 0.000 2.422 130 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 130 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 130 G C 1.657 176.556 174.900 -0.001 0.000 1.140 130 G CA 0.921 46.025 45.100 0.007 0.000 0.775 130 G HN 0.342 nan 8.290 nan 0.000 0.545 131 A N 0.967 123.785 122.820 -0.004 0.000 1.902 131 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 131 A C 2.148 179.715 177.584 -0.029 0.000 1.181 131 A CA 1.904 53.931 52.037 -0.017 0.000 0.623 131 A CB -0.378 18.611 19.000 -0.018 0.000 0.818 131 A HN 0.440 nan 8.150 nan 0.000 0.443 132 E N -0.338 119.847 120.200 -0.025 0.000 2.051 132 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 132 E C 2.146 178.731 176.600 -0.025 0.000 0.991 132 E CA 1.048 57.430 56.400 -0.029 0.000 0.799 132 E CB -0.267 29.419 29.700 -0.022 0.000 0.748 132 E HN 0.595 nan 8.360 nan 0.000 0.449 133 A N 0.284 123.095 122.820 -0.016 0.000 2.168 133 A HA 0.148 4.468 4.320 -0.000 0.000 0.215 133 A C 1.736 179.311 177.584 -0.014 0.000 1.152 133 A CA 0.888 52.918 52.037 -0.012 0.000 0.716 133 A CB -0.493 18.504 19.000 -0.005 0.000 0.794 133 A HN 0.357 nan 8.150 nan 0.000 0.465 134 G N -0.698 108.092 108.800 -0.017 0.000 2.221 134 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.265 134 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.265 134 G C 0.615 175.511 174.900 -0.007 0.000 1.041 134 G CA 1.261 46.350 45.100 -0.017 0.000 0.807 134 G HN 1.381 nan 8.290 nan 0.000 0.502 135 T N -1.905 112.648 114.554 -0.001 0.000 3.129 135 T HA 0.568 4.918 4.350 -0.000 0.000 0.267 135 T C 1.063 175.773 174.700 0.017 0.000 1.018 135 T CA -0.334 61.770 62.100 0.006 0.000 0.903 135 T CB 0.332 69.205 68.868 0.007 0.000 1.067 135 T HN 0.441 nan 8.240 nan 0.000 0.549 136 L N 2.486 123.720 121.223 0.018 0.000 2.543 136 L HA 0.150 4.490 4.340 -0.000 0.000 0.285 136 L C 0.512 177.414 176.870 0.054 0.000 1.236 136 L CA 0.211 55.070 54.840 0.032 0.000 0.871 136 L CB 0.150 42.228 42.059 0.031 0.000 1.121 136 L HN 0.196 nan 8.230 nan 0.000 0.501 137 T N 4.800 119.398 114.554 0.073 0.000 2.780 137 T HA 0.500 4.850 4.350 -0.000 0.000 0.294 137 T C 0.040 174.823 174.700 0.140 0.000 0.949 137 T CA -0.148 62.029 62.100 0.129 0.000 1.074 137 T CB 0.377 69.333 68.868 0.147 0.000 0.910 137 T HN 0.262 nan 8.240 nan 0.000 0.501 138 I N 4.041 124.721 120.570 0.184 0.000 2.418 138 I HA 0.385 4.555 4.170 -0.000 0.000 0.287 138 I C -0.364 175.902 176.117 0.249 0.000 1.008 138 I CA -0.727 60.681 61.300 0.181 0.000 1.104 138 I CB 1.701 39.796 38.000 0.159 0.000 1.264 138 I HN 0.421 nan 8.210 nan 0.000 0.438 139 M N 6.710 126.426 119.600 0.193 0.000 2.101 139 M HA 0.439 4.918 4.480 -0.000 0.000 0.340 139 M C -0.884 175.517 176.300 0.170 0.000 1.057 139 M CA -0.555 54.853 55.300 0.180 0.000 0.984 139 M CB 1.807 34.453 32.600 0.077 0.000 1.560 139 M HN 0.214 nan 8.290 nan 0.000 0.435 140 V N 2.326 122.370 119.914 0.216 0.000 2.417 140 V HA 0.732 4.852 4.120 -0.000 0.000 0.291 140 V C 0.399 176.624 176.094 0.219 0.000 1.024 140 V CA -0.802 61.641 62.300 0.238 0.000 0.861 140 V CB 1.698 33.754 31.823 0.388 0.000 0.985 140 V HN 0.952 nan 8.190 nan 0.000 0.436 141 G N 3.009 111.910 108.800 0.169 0.000 2.415 141 G HA2 0.774 4.734 3.960 -0.000 0.000 0.317 141 G HA3 0.774 4.734 3.960 -0.000 0.000 0.317 141 G C -0.373 174.630 174.900 0.172 0.000 1.152 141 G CA 0.256 45.445 45.100 0.149 0.000 0.956 141 G HN 1.261 nan 8.290 nan 0.000 0.458 142 A N 1.901 124.865 122.820 0.240 0.000 2.566 142 A HA 0.817 5.137 4.320 -0.000 0.000 0.290 142 A C 0.159 177.887 177.584 0.240 0.000 1.071 142 A CA -0.106 52.046 52.037 0.193 0.000 0.658 142 A CB 0.482 19.564 19.000 0.137 0.000 1.285 142 A HN 1.895 nan 8.150 nan 0.000 0.427 143 S N -0.182 115.601 115.700 0.138 0.000 2.589 143 S HA 0.295 4.765 4.470 -0.000 0.000 0.265 143 S C 0.885 175.556 174.600 0.117 0.000 1.342 143 S CA 0.887 59.164 58.200 0.128 0.000 1.005 143 S CB 1.027 64.273 63.200 0.076 0.000 0.909 143 S HN 0.963 nan 8.310 nan 0.000 0.555 144 E N 1.791 122.081 120.200 0.152 0.000 2.058 144 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 144 E C 2.142 178.784 176.600 0.070 0.000 0.997 144 E CA 2.006 58.479 56.400 0.123 0.000 0.801 144 E CB -1.042 28.739 29.700 0.136 0.000 0.746 144 E HN 0.814 nan 8.360 nan 0.000 0.450 145 A N -0.038 122.815 122.820 0.054 0.000 1.908 145 A HA -0.153 4.166 4.320 -0.000 0.000 0.218 145 A C 2.529 180.116 177.584 0.006 0.000 1.181 145 A CA 1.821 53.874 52.037 0.028 0.000 0.627 145 A CB -0.738 18.275 19.000 0.022 0.000 0.818 145 A HN 0.207 nan 8.150 nan 0.000 0.445 146 V N -1.434 118.486 119.914 0.010 0.000 2.453 146 V HA -0.171 3.948 4.120 -0.000 0.000 0.247 146 V C 2.228 178.297 176.094 -0.041 0.000 1.048 146 V CA 1.775 64.065 62.300 -0.016 0.000 1.049 146 V CB -0.914 30.908 31.823 -0.001 0.000 0.672 146 V HN 0.624 nan 8.190 nan 0.000 0.457 147 F N 1.562 121.391 119.950 -0.202 0.000 2.102 147 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 147 F C 2.352 178.049 175.800 -0.172 0.000 1.105 147 F CA 2.095 59.929 58.000 -0.276 0.000 1.239 147 F CB -0.183 38.420 39.000 -0.660 0.000 0.991 147 F HN 0.212 nan 8.300 nan 0.000 0.474 148 E N 0.018 120.145 120.200 -0.122 0.000 2.110 148 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 148 E C 2.157 178.647 176.600 -0.183 0.000 0.988 148 E CA 1.174 57.480 56.400 -0.156 0.000 0.804 148 E CB -0.190 29.501 29.700 -0.015 0.000 0.745 148 E HN 0.381 nan 8.360 nan 0.000 0.458 149 K N 0.855 121.173 120.400 -0.137 0.000 2.001 149 K HA -0.192 4.128 4.320 -0.000 0.000 0.214 149 K C 2.222 178.724 176.600 -0.163 0.000 1.050 149 K CA 1.983 58.197 56.287 -0.121 0.000 0.934 149 K CB -0.171 32.272 32.500 -0.095 0.000 0.718 149 K HN 0.253 nan 8.250 nan 0.000 0.443 150 I N -1.955 118.480 120.570 -0.224 0.000 3.427 150 I HA -0.059 4.111 4.170 -0.000 0.000 0.288 150 I C 2.237 178.194 176.117 -0.266 0.000 1.249 150 I CA 0.342 61.513 61.300 -0.216 0.000 1.421 150 I CB -0.150 37.728 38.000 -0.204 0.000 1.086 150 I HN 0.153 nan 8.210 nan 0.000 0.448 151 Q N 2.627 122.148 119.800 -0.465 0.000 2.077 151 Q HA -0.165 4.174 4.340 -0.000 0.000 0.206 151 Q C -0.423 175.431 176.000 -0.243 0.000 0.989 151 Q CA 2.628 58.112 55.803 -0.532 0.000 0.853 151 Q CB -1.423 26.831 28.738 -0.806 0.000 0.907 151 Q HN 0.382 nan 8.270 nan 0.000 0.418 152 P HA -0.108 nan 4.420 nan 0.000 0.216 152 P C 1.694 178.963 177.300 -0.052 0.000 1.150 152 P CA 1.207 64.251 63.100 -0.093 0.000 0.837 152 P CB -0.123 31.532 31.700 -0.074 0.000 0.786 153 V N -0.791 119.103 119.914 -0.034 0.000 2.358 153 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 153 V C 2.356 178.485 176.094 0.058 0.000 1.047 153 V CA 1.436 63.757 62.300 0.035 0.000 1.035 153 V CB -1.237 30.641 31.823 0.092 0.000 0.658 153 V HN 0.007 nan 8.190 nan 0.000 0.452 154 L N 0.302 121.552 121.223 0.044 0.000 2.081 154 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 154 L C 2.536 179.412 176.870 0.009 0.000 1.080 154 L CA 1.900 56.771 54.840 0.051 0.000 0.754 154 L CB -1.314 40.751 42.059 0.009 0.000 0.893 154 L HN 0.300 nan 8.230 nan 0.000 0.433 155 S N -1.491 114.194 115.700 -0.024 0.000 2.474 155 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 155 S C 2.014 176.604 174.600 -0.016 0.000 0.997 155 S CA 0.941 59.126 58.200 -0.024 0.000 0.949 155 S CB -0.162 63.014 63.200 -0.040 0.000 0.766 155 S HN 0.355 nan 8.310 nan 0.000 0.517 156 V N 2.785 122.692 119.914 -0.012 0.000 2.407 156 V HA -0.021 4.099 4.120 -0.000 0.000 0.245 156 V C 1.737 177.819 176.094 -0.020 0.000 1.041 156 V CA 1.528 63.819 62.300 -0.014 0.000 1.040 156 V CB -0.299 31.519 31.823 -0.008 0.000 0.671 156 V HN 0.658 nan 8.190 nan 0.000 0.455 157 I N -0.945 119.609 120.570 -0.026 0.000 3.059 157 I HA 0.437 4.607 4.170 -0.000 0.000 0.270 157 I C 1.025 177.131 176.117 -0.020 0.000 1.238 157 I CA 0.790 62.065 61.300 -0.042 0.000 1.478 157 I CB -0.560 37.382 38.000 -0.098 0.000 1.097 157 I HN 0.297 nan 8.210 nan 0.000 0.455 158 G N 0.572 109.370 108.800 -0.002 0.000 2.714 158 G HA2 0.418 4.377 3.960 -0.000 0.000 0.292 158 G HA3 0.418 4.377 3.960 -0.000 0.000 0.292 158 G C -0.281 174.621 174.900 0.004 0.000 1.308 158 G CA -0.497 44.610 45.100 0.012 0.000 0.964 158 G HN 0.055 nan 8.290 nan 0.000 0.484 159 K N -1.051 119.353 120.400 0.008 0.000 2.230 159 K HA 0.144 4.464 4.320 -0.000 0.000 0.219 159 K C -0.335 176.250 176.600 -0.026 0.000 1.033 159 K CA 0.063 56.347 56.287 -0.005 0.000 0.937 159 K CB 0.306 32.807 32.500 0.001 0.000 1.018 159 K HN 0.332 nan 8.250 nan 0.000 0.463 160 D N 2.408 122.795 120.400 -0.022 0.000 2.365 160 D HA 0.141 4.781 4.640 -0.000 0.000 0.237 160 D C -0.645 175.588 176.300 -0.112 0.000 1.190 160 D CA 0.038 53.966 54.000 -0.121 0.000 0.867 160 D CB 0.764 41.543 40.800 -0.035 0.000 1.050 160 D HN 0.152 nan 8.370 nan 0.000 0.491 161 I N 3.339 123.817 120.570 -0.154 0.000 2.307 161 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 161 I C -0.286 175.813 176.117 -0.030 0.000 1.021 161 I CA -0.823 60.490 61.300 0.022 0.000 1.224 161 I CB -0.241 37.821 38.000 0.102 0.000 1.376 161 I HN 0.164 nan 8.210 nan 0.000 0.470 162 Y N 4.299 124.701 120.300 0.170 0.000 2.331 162 Y HA 0.268 4.818 4.550 -0.000 0.000 0.338 162 Y C 0.613 176.535 175.900 0.037 0.000 0.992 162 Y CA -0.605 57.545 58.100 0.084 0.000 1.121 162 Y CB 0.931 39.410 38.460 0.031 0.000 1.184 162 Y HN 0.418 nan 8.280 nan 0.000 0.469 163 H N 4.075 122.983 119.070 -0.269 0.000 2.908 163 H HA 0.223 4.779 4.556 -0.000 0.000 0.269 163 H C 0.575 175.767 175.328 -0.226 0.000 1.303 163 H CA -0.996 54.690 56.048 -0.604 0.000 1.341 163 H CB 0.326 29.230 29.762 -1.430 0.000 1.519 163 H HN 0.584 nan 8.280 nan 0.000 0.505 164 V N 1.978 121.833 119.914 -0.099 0.000 3.406 164 V HA 0.468 4.588 4.120 -0.000 0.000 0.263 164 V C 1.011 176.980 176.094 -0.207 0.000 1.172 164 V CA 0.916 63.143 62.300 -0.121 0.000 1.140 164 V CB -0.498 31.299 31.823 -0.044 0.000 0.784 164 V HN 0.824 nan 8.190 nan 0.000 0.467 165 G N -0.722 107.891 108.800 -0.312 0.000 2.351 165 G HA2 0.158 4.118 3.960 -0.000 0.000 0.279 165 G HA3 0.158 4.118 3.960 -0.000 0.000 0.279 165 G C -1.752 173.078 174.900 -0.117 0.000 1.297 165 G CA 0.013 44.956 45.100 -0.262 0.000 0.886 165 G HN 0.171 nan 8.290 nan 0.000 0.493 166 D N -0.122 120.257 120.400 -0.034 0.000 2.447 166 D HA 0.525 5.165 4.640 -0.000 0.000 0.265 166 D C 0.822 177.159 176.300 0.062 0.000 1.250 166 D CA 0.295 54.325 54.000 0.051 0.000 1.046 166 D CB 0.653 41.473 40.800 0.034 0.000 1.095 166 D HN 0.360 nan 8.370 nan 0.000 0.555 167 T N -0.127 114.472 114.554 0.075 0.000 2.891 167 T HA 0.342 4.692 4.350 -0.000 0.000 0.296 167 T C 1.083 175.818 174.700 0.059 0.000 1.025 167 T CA 1.028 63.176 62.100 0.079 0.000 1.149 167 T CB 0.233 69.148 68.868 0.077 0.000 1.007 167 T HN 0.591 nan 8.240 nan 0.000 0.528 168 G N 1.871 110.712 108.800 0.068 0.000 2.195 168 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.246 168 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.246 168 G C 1.039 175.960 174.900 0.036 0.000 0.984 168 G CA 0.244 45.374 45.100 0.050 0.000 0.633 168 G HN 1.059 nan 8.290 nan 0.000 0.525 169 A N 0.390 123.231 122.820 0.034 0.000 1.970 169 A HA 0.477 4.797 4.320 -0.000 0.000 0.216 169 A C 2.665 180.259 177.584 0.018 0.000 1.170 169 A CA 1.989 54.033 52.037 0.012 0.000 0.645 169 A CB -0.813 18.180 19.000 -0.011 0.000 0.816 169 A HN 1.536 nan 8.150 nan 0.000 0.447 170 G N 0.310 109.138 108.800 0.047 0.000 2.433 170 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 170 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 170 G C 1.133 176.056 174.900 0.038 0.000 1.186 170 G CA 1.201 46.334 45.100 0.054 0.000 0.779 170 G HN 0.429 nan 8.290 nan 0.000 0.543 171 D N 1.115 121.542 120.400 0.045 0.000 2.133 171 D HA -0.107 4.532 4.640 -0.000 0.000 0.195 171 D C 2.822 179.133 176.300 0.018 0.000 0.997 171 D CA 1.366 55.388 54.000 0.038 0.000 0.840 171 D CB -0.511 40.316 40.800 0.046 0.000 0.947 171 D HN 0.312 nan 8.370 nan 0.000 0.452 172 A N 0.638 123.465 122.820 0.012 0.000 1.877 172 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 172 A C 2.453 180.028 177.584 -0.015 0.000 1.186 172 A CA 1.439 53.474 52.037 -0.002 0.000 0.620 172 A CB -0.847 18.150 19.000 -0.006 0.000 0.822 172 A HN 0.200 nan 8.150 nan 0.000 0.443 173 V N -0.177 119.723 119.914 -0.023 0.000 2.548 173 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 173 V C 2.479 178.545 176.094 -0.047 0.000 1.055 173 V CA 2.713 64.985 62.300 -0.047 0.000 1.065 173 V CB -0.358 31.422 31.823 -0.073 0.000 0.681 173 V HN 0.672 nan 8.190 nan 0.000 0.462 174 K N 0.602 120.984 120.400 -0.030 0.000 2.002 174 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 174 K C 1.814 178.401 176.600 -0.021 0.000 1.048 174 K CA 2.253 58.524 56.287 -0.027 0.000 0.930 174 K CB -0.612 31.886 32.500 -0.004 0.000 0.714 174 K HN 0.501 nan 8.250 nan 0.000 0.438 175 I N 0.205 120.769 120.570 -0.010 0.000 2.208 175 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 175 I C 2.039 178.149 176.117 -0.011 0.000 1.097 175 I CA 1.095 62.392 61.300 -0.006 0.000 1.363 175 I CB -0.170 37.829 38.000 -0.002 0.000 1.051 175 I HN 0.004 nan 8.210 nan 0.000 0.413 176 V N 0.884 120.787 119.914 -0.018 0.000 2.358 176 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 176 V C 2.171 178.251 176.094 -0.023 0.000 1.047 176 V CA 2.306 64.594 62.300 -0.019 0.000 1.035 176 V CB -0.929 30.879 31.823 -0.026 0.000 0.658 176 V HN 0.503 nan 8.190 nan 0.000 0.452 177 N N 0.972 119.649 118.700 -0.039 0.000 2.084 177 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 177 N C 1.584 177.073 175.510 -0.034 0.000 1.030 177 N CA 1.914 54.935 53.050 -0.049 0.000 0.849 177 N CB -0.221 38.218 38.487 -0.079 0.000 1.012 177 N HN 0.421 nan 8.380 nan 0.000 0.423 178 N N 0.546 119.228 118.700 -0.031 0.000 2.244 178 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 178 N C 1.699 177.218 175.510 0.015 0.000 1.016 178 N CA 0.477 53.518 53.050 -0.016 0.000 0.866 178 N CB -0.474 38.010 38.487 -0.005 0.000 0.980 178 N HN 0.391 nan 8.380 nan 0.000 0.430 179 L N 0.479 121.710 121.223 0.013 0.000 2.012 179 L HA -0.131 4.208 4.340 -0.000 0.000 0.210 179 L C 1.772 178.671 176.870 0.049 0.000 1.073 179 L CA 1.284 56.141 54.840 0.028 0.000 0.748 179 L CB -0.239 41.829 42.059 0.016 0.000 0.891 179 L HN 0.099 nan 8.230 nan 0.000 0.431 180 L N -0.611 120.634 121.223 0.036 0.000 2.056 180 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 180 L C 2.580 179.497 176.870 0.078 0.000 1.078 180 L CA 0.777 55.646 54.840 0.049 0.000 0.749 180 L CB -0.579 41.497 42.059 0.028 0.000 0.901 180 L HN 0.355 nan 8.230 nan 0.000 0.433 181 L N 0.376 121.642 121.223 0.071 0.000 1.989 181 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 181 L C 2.342 179.304 176.870 0.153 0.000 1.071 181 L CA 2.337 57.242 54.840 0.107 0.000 0.749 181 L CB -1.193 40.906 42.059 0.067 0.000 0.890 181 L HN 0.148 nan 8.230 nan 0.000 0.431 182 G N -1.462 107.424 108.800 0.144 0.000 2.421 182 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 182 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 182 G C 1.615 176.724 174.900 0.348 0.000 1.171 182 G CA 0.961 46.203 45.100 0.237 0.000 0.775 182 G HN 0.551 nan 8.290 nan 0.000 0.543 183 C N 0.811 120.239 119.300 0.214 0.000 2.413 183 C HA -0.067 4.393 4.460 -0.000 0.000 0.276 183 C C 2.855 177.934 174.990 0.147 0.000 1.236 183 C CA 0.992 60.111 59.018 0.169 0.000 1.735 183 C CB -0.946 26.859 27.740 0.109 0.000 2.031 183 C HN 0.439 nan 8.230 nan 0.000 0.474 184 N N 0.615 119.398 118.700 0.137 0.000 2.166 184 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 184 N C 1.529 177.117 175.510 0.130 0.000 1.019 184 N CA 1.252 54.372 53.050 0.117 0.000 0.856 184 N CB -0.516 38.037 38.487 0.111 0.000 0.993 184 N HN 0.455 nan 8.380 nan 0.000 0.426 185 M N 1.005 120.715 119.600 0.183 0.000 2.123 185 M HA 0.104 4.583 4.480 -0.000 0.000 0.263 185 M C 1.853 178.234 176.300 0.135 0.000 1.069 185 M CA 1.110 56.528 55.300 0.196 0.000 1.133 185 M CB -0.576 32.216 32.600 0.320 0.000 1.356 185 M HN 0.116 nan 8.290 nan 0.000 0.415 186 A N -0.869 122.018 122.820 0.112 0.000 1.908 186 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 186 A C 2.252 179.877 177.584 0.067 0.000 1.181 186 A CA 2.385 54.407 52.037 -0.025 0.000 0.627 186 A CB -1.235 17.739 19.000 -0.043 0.000 0.818 186 A HN 0.604 nan 8.150 nan 0.000 0.445 187 S N -0.587 115.158 115.700 0.075 0.000 2.368 187 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 187 S C 1.849 176.480 174.600 0.051 0.000 1.030 187 S CA 1.366 59.598 58.200 0.055 0.000 0.999 187 S CB -0.448 62.782 63.200 0.050 0.000 0.844 187 S HN 0.474 nan 8.310 nan 0.000 0.459 188 L N 2.056 123.321 121.223 0.070 0.000 2.042 188 L HA -0.054 4.285 4.340 -0.000 0.000 0.210 188 L C 2.369 179.290 176.870 0.084 0.000 1.076 188 L CA 1.799 56.681 54.840 0.070 0.000 0.749 188 L CB -1.103 41.005 42.059 0.083 0.000 0.893 188 L HN 0.248 nan 8.230 nan 0.000 0.432 189 A N 0.129 123.018 122.820 0.115 0.000 1.859 189 A HA -0.305 4.014 4.320 -0.000 0.000 0.217 189 A C 2.183 179.889 177.584 0.203 0.000 1.198 189 A CA 2.203 54.349 52.037 0.181 0.000 0.629 189 A CB -0.961 18.157 19.000 0.197 0.000 0.830 189 A HN 0.729 nan 8.150 nan 0.000 0.446 190 E N -0.187 120.076 120.200 0.105 0.000 2.106 190 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 190 E C 2.023 178.546 176.600 -0.128 0.000 0.984 190 E CA 1.098 57.364 56.400 -0.223 0.000 0.806 190 E CB -0.473 28.952 29.700 -0.459 0.000 0.750 190 E HN 0.479 nan 8.360 nan 0.000 0.458 191 A N 1.927 124.718 122.820 -0.049 0.000 1.908 191 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 191 A C 2.327 179.905 177.584 -0.011 0.000 1.181 191 A CA 1.363 53.381 52.037 -0.032 0.000 0.627 191 A CB -0.706 18.291 19.000 -0.006 0.000 0.818 191 A HN 0.289 nan 8.150 nan 0.000 0.445 192 L N -0.703 120.533 121.223 0.021 0.000 2.109 192 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 192 L C 2.512 179.402 176.870 0.032 0.000 1.086 192 L CA 0.845 55.707 54.840 0.038 0.000 0.760 192 L CB -0.501 41.599 42.059 0.069 0.000 0.910 192 L HN 0.245 nan 8.230 nan 0.000 0.437 193 V N 0.003 119.937 119.914 0.033 0.000 2.343 193 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 193 V C 2.408 178.493 176.094 -0.015 0.000 1.051 193 V CA 1.629 63.944 62.300 0.025 0.000 1.036 193 V CB -0.405 31.442 31.823 0.041 0.000 0.654 193 V HN 0.313 nan 8.190 nan 0.000 0.451 194 L N 1.355 122.547 121.223 -0.051 0.000 2.012 194 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 194 L C 2.366 179.220 176.870 -0.028 0.000 1.073 194 L CA 2.533 57.339 54.840 -0.056 0.000 0.748 194 L CB -1.320 40.693 42.059 -0.076 0.000 0.891 194 L HN 0.278 nan 8.230 nan 0.000 0.431 195 G N -1.232 107.559 108.800 -0.016 0.000 2.418 195 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 195 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 195 G C 1.531 176.432 174.900 0.002 0.000 1.158 195 G CA 1.095 46.192 45.100 -0.005 0.000 0.771 195 G HN 0.343 nan 8.290 nan 0.000 0.545 196 V N 0.953 120.872 119.914 0.009 0.000 2.295 196 V HA -0.146 3.973 4.120 -0.000 0.000 0.246 196 V C 2.680 178.779 176.094 0.008 0.000 1.049 196 V CA 2.247 64.555 62.300 0.014 0.000 1.024 196 V CB -0.398 31.441 31.823 0.026 0.000 0.648 196 V HN 0.367 nan 8.190 nan 0.000 0.447 197 K N 0.277 120.679 120.400 0.002 0.000 2.103 197 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 197 K C 1.710 178.306 176.600 -0.005 0.000 1.048 197 K CA 2.012 58.298 56.287 -0.003 0.000 0.930 197 K CB -0.776 31.717 32.500 -0.013 0.000 0.716 197 K HN 0.566 nan 8.250 nan 0.000 0.444 198 C N -0.142 119.153 119.300 -0.008 0.000 2.573 198 C HA 0.402 4.862 4.460 -0.000 0.000 0.273 198 C C 1.248 176.236 174.990 -0.003 0.000 1.346 198 C CA 0.131 59.144 59.018 -0.008 0.000 1.702 198 C CB -1.262 26.471 27.740 -0.011 0.000 1.751 198 C HN 0.721 nan 8.230 nan 0.000 0.583 199 G N 0.538 109.338 108.800 0.000 0.000 2.131 199 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.223 199 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.223 199 G C -0.119 174.783 174.900 0.004 0.000 0.990 199 G CA -0.390 44.711 45.100 0.003 0.000 0.671 199 G HN 0.515 nan 8.290 nan 0.000 0.521 200 L N 0.346 121.572 121.223 0.005 0.000 2.326 200 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 200 L C 0.875 177.752 176.870 0.011 0.000 1.092 200 L CA -0.647 54.197 54.840 0.007 0.000 0.810 200 L CB 1.093 43.156 42.059 0.006 0.000 1.153 200 L HN 0.009 nan 8.230 nan 0.000 0.439 201 K N 3.658 124.064 120.400 0.010 0.000 2.249 201 K HA 0.176 4.496 4.320 -0.000 0.000 0.280 201 K C -1.586 175.023 176.600 0.015 0.000 1.033 201 K CA -1.522 54.773 56.287 0.013 0.000 0.946 201 K CB 1.222 33.728 32.500 0.009 0.000 1.005 201 K HN 0.235 nan 8.250 nan 0.000 0.469 202 P HA -0.225 nan 4.420 nan 0.000 0.216 202 P C 0.346 177.657 177.300 0.017 0.000 1.154 202 P CA 1.380 64.494 63.100 0.024 0.000 0.865 202 P CB 0.297 32.015 31.700 0.030 0.000 0.789 203 E N -1.112 119.094 120.200 0.012 0.000 2.070 203 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 203 E C 2.141 178.745 176.600 0.007 0.000 1.004 203 E CA 2.137 58.541 56.400 0.007 0.000 0.805 203 E CB -1.344 28.358 29.700 0.003 0.000 0.744 203 E HN 0.339 nan 8.360 nan 0.000 0.451 204 T N -1.105 113.453 114.554 0.008 0.000 2.896 204 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 204 T C 1.851 176.556 174.700 0.009 0.000 1.050 204 T CA 1.024 63.128 62.100 0.007 0.000 1.140 204 T CB -0.132 68.740 68.868 0.006 0.000 0.877 204 T HN 0.037 nan 8.240 nan 0.000 0.457 205 M N 0.631 120.237 119.600 0.011 0.000 2.117 205 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 205 M C 2.733 179.042 176.300 0.014 0.000 1.065 205 M CA 1.860 57.168 55.300 0.013 0.000 1.114 205 M CB -0.466 32.144 32.600 0.017 0.000 1.361 205 M HN 0.424 nan 8.290 nan 0.000 0.408 206 Q N 0.485 120.294 119.800 0.014 0.000 2.030 206 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 206 Q C 1.902 177.907 176.000 0.009 0.000 0.986 206 Q CA 1.947 57.757 55.803 0.012 0.000 0.843 206 Q CB -0.102 28.642 28.738 0.010 0.000 0.904 206 Q HN 0.539 nan 8.270 nan 0.000 0.420 207 E N -0.279 119.925 120.200 0.007 0.000 2.038 207 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 207 E C 1.957 178.562 176.600 0.008 0.000 1.000 207 E CA 1.377 57.781 56.400 0.006 0.000 0.803 207 E CB -0.046 29.657 29.700 0.005 0.000 0.750 207 E HN 0.354 nan 8.360 nan 0.000 0.448 208 I N 0.443 121.018 120.570 0.008 0.000 2.206 208 I HA -0.211 3.959 4.170 -0.000 0.000 0.239 208 I C 2.279 178.402 176.117 0.010 0.000 1.078 208 I CA 0.836 62.141 61.300 0.008 0.000 1.367 208 I CB -0.117 37.887 38.000 0.007 0.000 1.078 208 I HN 0.151 nan 8.210 nan 0.000 0.413 209 I N 0.420 120.997 120.570 0.011 0.000 2.286 209 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 209 I C 2.545 178.671 176.117 0.016 0.000 1.115 209 I CA 1.478 62.787 61.300 0.014 0.000 1.392 209 I CB -0.942 37.067 38.000 0.016 0.000 1.065 209 I HN 0.312 nan 8.210 nan 0.000 0.418 210 G N 0.947 109.756 108.800 0.014 0.000 2.462 210 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 210 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 210 G C 1.566 176.476 174.900 0.016 0.000 1.121 210 G CA 0.616 45.724 45.100 0.015 0.000 0.758 210 G HN 0.390 nan 8.290 nan 0.000 0.559 211 K N 0.024 120.432 120.400 0.014 0.000 2.372 211 K HA 0.286 4.606 4.320 -0.000 0.000 0.200 211 K C 0.068 176.676 176.600 0.014 0.000 1.022 211 K CA -0.121 56.174 56.287 0.014 0.000 1.125 211 K CB 0.818 33.325 32.500 0.011 0.000 0.855 211 K HN 0.166 nan 8.250 nan 0.000 0.524 212 S N -0.412 115.297 115.700 0.014 0.000 2.745 212 S HA 0.095 4.565 4.470 -0.000 0.000 0.306 212 S C 0.960 175.570 174.600 0.016 0.000 1.137 212 S CA -0.764 57.444 58.200 0.013 0.000 0.900 212 S CB 1.626 64.833 63.200 0.011 0.000 1.176 212 S HN 0.213 nan 8.310 nan 0.000 0.520 213 S N 0.198 115.906 115.700 0.014 0.000 2.507 213 S HA 0.005 4.475 4.470 -0.000 0.000 0.235 213 S C 1.588 176.199 174.600 0.018 0.000 0.988 213 S CA 0.755 58.964 58.200 0.016 0.000 0.944 213 S CB -0.719 62.488 63.200 0.012 0.000 0.762 213 S HN 0.870 nan 8.310 nan 0.000 0.526 214 G N 2.229 111.040 108.800 0.018 0.000 2.744 214 G HA2 0.029 3.988 3.960 -0.000 0.000 0.211 214 G HA3 0.029 3.988 3.960 -0.000 0.000 0.211 214 G C 0.626 175.543 174.900 0.028 0.000 1.143 214 G CA -0.525 44.588 45.100 0.021 0.000 0.788 214 G HN 0.743 nan 8.290 nan 0.000 0.534 215 R N 0.238 120.755 120.500 0.029 0.000 2.641 215 R HA 0.493 4.833 4.340 -0.000 0.000 0.269 215 R C -0.493 175.835 176.300 0.046 0.000 1.074 215 R CA 0.209 56.329 56.100 0.034 0.000 1.133 215 R CB 0.625 30.945 30.300 0.032 0.000 1.029 215 R HN 0.123 nan 8.270 nan 0.000 0.488 216 S N 0.893 116.626 115.700 0.054 0.000 2.596 216 S HA 0.087 4.556 4.470 -0.000 0.000 0.270 216 S C 0.052 174.711 174.600 0.099 0.000 1.155 216 S CA -0.926 57.324 58.200 0.084 0.000 0.827 216 S CB 0.787 64.038 63.200 0.085 0.000 1.130 216 S HN 0.768 nan 8.310 nan 0.000 0.467 217 Y N 1.858 122.177 120.300 0.031 0.000 2.165 217 Y HA -0.018 4.531 4.550 -0.001 0.000 0.286 217 Y C 2.489 178.419 175.900 0.049 0.000 1.155 217 Y CA 2.446 60.566 58.100 0.033 0.000 1.164 217 Y CB -0.933 37.538 38.460 0.018 0.000 0.978 217 Y HN 0.920 nan 8.280 nan 0.000 0.513 218 A N 0.871 123.729 122.820 0.063 0.000 1.896 218 A HA -0.359 3.961 4.320 -0.000 0.000 0.220 218 A C 2.494 180.048 177.584 -0.051 0.000 1.206 218 A CA 2.551 54.597 52.037 0.015 0.000 0.647 218 A CB -1.117 17.947 19.000 0.107 0.000 0.828 218 A HN 0.698 nan 8.150 nan 0.000 0.455 219 M N -0.864 118.725 119.600 -0.018 0.000 2.132 219 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 219 M C 1.977 178.243 176.300 -0.055 0.000 1.065 219 M CA 2.231 57.526 55.300 -0.007 0.000 1.122 219 M CB -0.263 32.347 32.600 0.016 0.000 1.365 219 M HN 0.558 nan 8.290 nan 0.000 0.411 220 E N 0.261 120.390 120.200 -0.118 0.000 2.085 220 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 220 E C 1.951 178.433 176.600 -0.197 0.000 0.994 220 E CA 1.534 57.849 56.400 -0.142 0.000 0.801 220 E CB -0.245 29.369 29.700 -0.142 0.000 0.743 220 E HN 0.673 nan 8.360 nan 0.000 0.453 221 A N 0.796 123.380 122.820 -0.395 0.000 1.929 221 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 221 A C 1.856 179.459 177.584 0.031 0.000 1.176 221 A CA 1.138 53.000 52.037 -0.291 0.000 0.628 221 A CB 0.061 18.733 19.000 -0.546 0.000 0.816 221 A HN -0.045 nan 8.150 nan 0.000 0.444 222 K N -1.482 118.954 120.400 0.061 0.000 2.313 222 K HA 0.276 4.596 4.320 -0.000 0.000 0.197 222 K C 1.880 178.615 176.600 0.225 0.000 1.061 222 K CA 0.596 57.038 56.287 0.258 0.000 0.980 222 K CB -0.439 32.158 32.500 0.162 0.000 0.888 222 K HN 0.521 nan 8.250 nan 0.000 0.502 223 M N 1.175 120.839 119.600 0.106 0.000 2.086 223 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 223 M C 2.135 178.461 176.300 0.043 0.000 1.067 223 M CA 1.788 57.138 55.300 0.083 0.000 1.116 223 M CB 0.071 32.702 32.600 0.052 0.000 1.348 223 M HN 0.129 nan 8.290 nan 0.000 0.407 224 E N -0.180 120.024 120.200 0.007 0.000 2.046 224 E HA -0.223 4.127 4.350 -0.000 0.000 0.190 224 E C 1.994 178.533 176.600 -0.100 0.000 0.982 224 E CA 1.141 57.518 56.400 -0.038 0.000 0.800 224 E CB 0.034 29.709 29.700 -0.042 0.000 0.756 224 E HN 0.363 nan 8.360 nan 0.000 0.449 225 K N -0.965 119.350 120.400 -0.141 0.000 2.097 225 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 225 K C 1.345 177.607 176.600 -0.564 0.000 1.050 225 K CA 1.347 57.406 56.287 -0.381 0.000 0.938 225 K CB 0.081 32.269 32.500 -0.520 0.000 0.718 225 K HN 0.092 nan 8.250 nan 0.000 0.442 226 F N -0.602 119.250 119.950 -0.163 0.000 2.532 226 F HA 0.202 4.729 4.527 -0.000 0.000 0.278 226 F C 1.891 177.347 175.800 -0.574 0.000 0.975 226 F CA -0.214 57.569 58.000 -0.362 0.000 1.292 226 F CB -0.124 38.788 39.000 -0.147 0.000 1.112 226 F HN -0.167 nan 8.300 nan 0.000 0.703 227 I N 0.021 120.596 120.570 0.009 0.000 2.193 227 I HA -0.264 3.905 4.170 -0.000 0.000 0.240 227 I C 2.186 178.307 176.117 0.006 0.000 1.084 227 I CA 1.597 62.957 61.300 0.100 0.000 1.365 227 I CB -0.380 37.752 38.000 0.219 0.000 1.064 227 I HN 0.122 nan 8.210 nan 0.000 0.410 228 M N 0.171 119.763 119.600 -0.013 0.000 2.319 228 M HA -0.121 4.358 4.480 -0.000 0.000 0.265 228 M C 2.507 178.767 176.300 -0.066 0.000 1.068 228 M CA 1.608 56.896 55.300 -0.020 0.000 1.118 228 M CB -0.355 32.237 32.600 -0.014 0.000 1.395 228 M HN 0.349 nan 8.290 nan 0.000 0.435 229 S N -0.186 115.433 115.700 -0.134 0.000 2.387 229 S HA 0.017 4.487 4.470 -0.000 0.000 0.226 229 S C 1.812 176.314 174.600 -0.164 0.000 1.026 229 S CA 1.073 59.179 58.200 -0.157 0.000 0.972 229 S CB -0.621 62.448 63.200 -0.219 0.000 0.814 229 S HN 0.645 nan 8.310 nan 0.000 0.477 230 G N 1.026 109.666 108.800 -0.266 0.000 2.184 230 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 230 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 230 G C -0.217 174.491 174.900 -0.320 0.000 0.975 230 G CA 0.332 45.288 45.100 -0.240 0.000 0.642 230 G HN 0.713 nan 8.290 nan 0.000 0.536 231 D N -0.229 119.936 120.400 -0.392 0.000 2.396 231 D HA 0.548 5.187 4.640 -0.000 0.000 0.225 231 D C 0.534 176.703 176.300 -0.220 0.000 1.121 231 D CA -0.873 53.002 54.000 -0.208 0.000 0.853 231 D CB -0.134 40.578 40.800 -0.147 0.000 1.043 231 D HN 0.057 nan 8.370 nan 0.000 0.500 232 F N 1.751 121.822 119.950 0.202 0.000 2.641 232 F HA 0.359 4.886 4.527 -0.000 0.000 0.302 232 F C 1.304 177.238 175.800 0.222 0.000 1.098 232 F CA -0.549 57.618 58.000 0.277 0.000 1.318 232 F CB 0.010 39.089 39.000 0.132 0.000 1.035 232 F HN 0.302 nan 8.300 nan 0.000 0.551 233 A N 0.425 123.425 122.820 0.300 0.000 2.425 233 A HA 0.549 4.869 4.320 -0.000 0.000 0.249 233 A C 1.143 178.893 177.584 0.277 0.000 1.084 233 A CA 0.599 52.765 52.037 0.215 0.000 0.781 233 A CB -0.573 18.505 19.000 0.130 0.000 1.019 233 A HN 0.726 nan 8.150 nan 0.000 0.490 234 G N 1.091 110.012 108.800 0.202 0.000 2.525 234 G HA2 0.340 4.299 3.960 -0.000 0.000 0.248 234 G HA3 0.340 4.299 3.960 -0.000 0.000 0.248 234 G C 1.419 176.464 174.900 0.241 0.000 1.238 234 G CA 0.735 45.961 45.100 0.210 0.000 0.926 234 G HN 3.013 nan 8.290 nan 0.000 0.574 235 G N -0.981 108.012 108.800 0.322 0.000 2.550 235 G HA2 0.182 4.141 3.960 -0.000 0.000 0.277 235 G HA3 0.182 4.141 3.960 -0.000 0.000 0.277 235 G C 0.155 175.171 174.900 0.194 0.000 1.190 235 G CA 1.024 46.272 45.100 0.246 0.000 0.971 235 G HN 2.208 nan 8.290 nan 0.000 0.559 236 F N 2.766 122.666 119.950 -0.083 0.000 2.382 236 F HA 0.719 5.246 4.527 -0.000 0.000 0.361 236 F C 0.738 176.491 175.800 -0.077 0.000 1.109 236 F CA -0.381 57.587 58.000 -0.054 0.000 1.031 236 F CB 0.813 39.786 39.000 -0.046 0.000 1.234 236 F HN 1.124 nan 8.300 nan 0.000 0.445 237 A N 7.300 129.856 122.820 -0.442 0.000 2.565 237 A HA 0.018 4.337 4.320 -0.000 0.000 0.237 237 A C 1.585 178.877 177.584 -0.486 0.000 1.053 237 A CA 0.148 51.963 52.037 -0.370 0.000 0.755 237 A CB 0.008 18.842 19.000 -0.278 0.000 0.980 237 A HN 1.089 nan 8.150 nan 0.000 0.506 238 M N 1.178 120.613 119.600 -0.276 0.000 2.149 238 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 238 M C 0.960 177.107 176.300 -0.255 0.000 1.064 238 M CA 2.248 57.407 55.300 -0.236 0.000 1.102 238 M CB -0.272 32.277 32.600 -0.084 0.000 1.369 238 M HN 0.859 nan 8.290 nan 0.000 0.408 239 D N 0.479 120.751 120.400 -0.215 0.000 2.123 239 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 239 D C 1.987 178.183 176.300 -0.173 0.000 0.992 239 D CA 1.212 55.120 54.000 -0.154 0.000 0.833 239 D CB -0.350 40.375 40.800 -0.125 0.000 0.954 239 D HN 0.425 nan 8.370 nan 0.000 0.455 240 L N 0.392 121.408 121.223 -0.344 0.000 2.072 240 L HA -0.207 4.132 4.340 -0.000 0.000 0.205 240 L C 2.462 179.137 176.870 -0.325 0.000 1.079 240 L CA 1.086 55.701 54.840 -0.374 0.000 0.752 240 L CB -0.094 41.574 42.059 -0.651 0.000 0.906 240 L HN -0.025 nan 8.230 nan 0.000 0.436 241 Q N -0.486 119.004 119.800 -0.516 0.000 2.096 241 Q HA -0.315 4.025 4.340 -0.000 0.000 0.204 241 Q C 2.005 177.836 176.000 -0.282 0.000 0.982 241 Q CA 2.245 57.887 55.803 -0.269 0.000 0.850 241 Q CB -0.353 28.119 28.738 -0.443 0.000 0.901 241 Q HN 0.583 nan 8.270 nan 0.000 0.422 242 H N -0.004 118.840 119.070 -0.377 0.000 2.321 242 H HA -0.037 4.518 4.556 -0.000 0.000 0.300 242 H C 1.892 177.155 175.328 -0.109 0.000 1.087 242 H CA 2.158 58.077 56.048 -0.216 0.000 1.319 242 H CB 0.021 29.700 29.762 -0.138 0.000 1.379 242 H HN 0.256 nan 8.280 nan 0.000 0.501 243 K N -0.086 120.275 120.400 -0.064 0.000 2.063 243 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 243 K C 1.488 178.039 176.600 -0.081 0.000 1.048 243 K CA 1.939 58.186 56.287 -0.067 0.000 0.928 243 K CB -0.043 32.445 32.500 -0.020 0.000 0.713 243 K HN 0.367 nan 8.250 nan 0.000 0.442 244 D N 0.843 121.212 120.400 -0.053 0.000 2.117 244 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 244 D C 1.987 178.254 176.300 -0.055 0.000 0.987 244 D CA 1.008 54.997 54.000 -0.018 0.000 0.829 244 D CB -0.189 40.640 40.800 0.049 0.000 0.961 244 D HN 0.231 nan 8.370 nan 0.000 0.460 245 L N 0.466 121.625 121.223 -0.106 0.000 2.083 245 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 245 L C 2.559 179.358 176.870 -0.119 0.000 1.083 245 L CA 1.354 56.135 54.840 -0.099 0.000 0.752 245 L CB -0.652 41.348 42.059 -0.099 0.000 0.899 245 L HN 0.089 nan 8.230 nan 0.000 0.433 246 G N -0.013 108.673 108.800 -0.191 0.000 2.422 246 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 246 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 246 G C 1.634 176.491 174.900 -0.071 0.000 1.146 246 G CA 0.498 45.510 45.100 -0.147 0.000 0.769 246 G HN 0.232 nan 8.290 nan 0.000 0.547 247 L N 0.600 121.790 121.223 -0.054 0.000 2.083 247 L HA -0.040 4.299 4.340 -0.000 0.000 0.209 247 L C 3.405 180.264 176.870 -0.019 0.000 1.083 247 L CA 0.912 55.737 54.840 -0.025 0.000 0.752 247 L CB -0.372 41.681 42.059 -0.010 0.000 0.899 247 L HN 0.303 nan 8.230 nan 0.000 0.433 248 A N 0.289 123.096 122.820 -0.022 0.000 1.883 248 A HA -0.190 4.129 4.320 -0.000 0.000 0.217 248 A C 2.238 179.814 177.584 -0.013 0.000 1.186 248 A CA 1.552 53.581 52.037 -0.013 0.000 0.624 248 A CB -0.763 18.232 19.000 -0.010 0.000 0.822 248 A HN 0.361 nan 8.150 nan 0.000 0.444 249 L N -0.866 120.344 121.223 -0.020 0.000 2.083 249 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 249 L C 2.677 179.540 176.870 -0.011 0.000 1.083 249 L CA 1.730 56.561 54.840 -0.015 0.000 0.752 249 L CB -0.529 41.517 42.059 -0.022 0.000 0.899 249 L HN 0.607 nan 8.230 nan 0.000 0.433 250 E N 0.582 120.773 120.200 -0.015 0.000 2.051 250 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 250 E C 2.229 178.825 176.600 -0.006 0.000 0.991 250 E CA 1.305 57.699 56.400 -0.009 0.000 0.799 250 E CB 0.016 29.711 29.700 -0.009 0.000 0.748 250 E HN 0.455 nan 8.360 nan 0.000 0.449 251 A N 0.769 123.586 122.820 -0.005 0.000 1.933 251 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 251 A C 2.405 179.987 177.584 -0.003 0.000 1.175 251 A CA 1.740 53.775 52.037 -0.003 0.000 0.628 251 A CB -1.141 17.857 19.000 -0.003 0.000 0.814 251 A HN 0.460 nan 8.150 nan 0.000 0.444 252 G N -0.170 108.628 108.800 -0.003 0.000 2.418 252 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 252 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 252 G C 1.636 176.536 174.900 -0.001 0.000 1.158 252 G CA 1.287 46.386 45.100 -0.001 0.000 0.771 252 G HN 0.628 nan 8.290 nan 0.000 0.545 253 K N 0.565 120.964 120.400 -0.002 0.000 2.026 253 K HA -0.097 4.222 4.320 -0.000 0.000 0.208 253 K C 2.352 178.950 176.600 -0.002 0.000 1.048 253 K CA 1.651 57.937 56.287 -0.001 0.000 0.929 253 K CB -0.224 32.275 32.500 -0.001 0.000 0.713 253 K HN 0.385 nan 8.250 nan 0.000 0.439 254 E N -0.815 119.384 120.200 -0.003 0.000 2.153 254 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 254 E C 1.669 178.267 176.600 -0.003 0.000 0.988 254 E CA 1.096 57.494 56.400 -0.003 0.000 0.811 254 E CB -0.024 29.674 29.700 -0.004 0.000 0.746 254 E HN 0.560 nan 8.360 nan 0.000 0.466 255 G N 0.251 109.049 108.800 -0.003 0.000 3.088 255 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 255 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 255 G C -0.075 174.824 174.900 -0.002 0.000 1.159 255 G CA -0.377 44.721 45.100 -0.003 0.000 0.760 255 G HN 0.072 nan 8.290 nan 0.000 0.550 256 N N -0.467 118.232 118.700 -0.002 0.000 2.705 256 N HA -0.146 4.594 4.740 -0.000 0.000 0.255 256 N C -0.556 174.954 175.510 -0.001 0.000 1.008 256 N CA 0.799 53.849 53.050 -0.001 0.000 0.742 256 N CB -1.277 37.209 38.487 -0.001 0.000 0.906 256 N HN 0.180 nan 8.380 nan 0.000 0.541 257 V N 1.037 120.951 119.914 -0.000 0.000 2.376 257 V HA 0.327 4.447 4.120 -0.000 0.000 0.287 257 V C -1.857 174.238 176.094 0.002 0.000 1.015 257 V CA -1.399 60.901 62.300 0.000 0.000 0.834 257 V CB 1.975 33.798 31.823 -0.001 0.000 1.001 257 V HN 0.006 nan 8.190 nan 0.000 0.428 258 P HA 0.285 nan 4.420 nan 0.000 0.268 258 P C -0.503 176.801 177.300 0.008 0.000 1.205 258 P CA 0.048 63.152 63.100 0.006 0.000 0.771 258 P CB 0.500 32.204 31.700 0.006 0.000 0.858 259 L N 4.432 125.662 121.223 0.011 0.000 2.625 259 L HA 0.233 4.573 4.340 -0.000 0.000 0.255 259 L C -1.520 175.362 176.870 0.020 0.000 1.493 259 L CA -1.236 53.612 54.840 0.014 0.000 0.796 259 L CB 1.582 43.648 42.059 0.012 0.000 1.064 259 L HN 0.284 nan 8.230 nan 0.000 0.516 260 P HA -0.167 nan 4.420 nan 0.000 0.216 260 P C 1.624 178.943 177.300 0.033 0.000 1.153 260 P CA 1.390 64.505 63.100 0.024 0.000 0.848 260 P CB 0.287 31.998 31.700 0.019 0.000 0.787 261 M N -0.615 119.006 119.600 0.034 0.000 2.132 261 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 261 M C 2.110 178.447 176.300 0.060 0.000 1.065 261 M CA 1.781 57.108 55.300 0.045 0.000 1.122 261 M CB -2.234 30.391 32.600 0.042 0.000 1.365 261 M HN -0.029 nan 8.290 nan 0.000 0.411 262 T N 1.428 116.014 114.554 0.053 0.000 2.708 262 T HA -0.083 4.266 4.350 -0.000 0.000 0.266 262 T C 1.956 176.693 174.700 0.062 0.000 1.037 262 T CA 1.739 63.875 62.100 0.060 0.000 1.146 262 T CB -0.413 68.477 68.868 0.036 0.000 0.865 262 T HN 0.486 nan 8.240 nan 0.000 0.435 263 A N 1.613 124.461 122.820 0.047 0.000 1.908 263 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 263 A C 2.287 179.910 177.584 0.066 0.000 1.181 263 A CA 1.506 53.571 52.037 0.046 0.000 0.627 263 A CB -0.534 18.487 19.000 0.034 0.000 0.818 263 A HN 0.294 nan 8.150 nan 0.000 0.445 264 M N -0.710 118.931 119.600 0.068 0.000 2.193 264 M HA 0.043 4.523 4.480 -0.000 0.000 0.265 264 M C 2.544 178.903 176.300 0.099 0.000 1.071 264 M CA 1.275 56.621 55.300 0.077 0.000 1.140 264 M CB -1.661 30.979 32.600 0.066 0.000 1.369 264 M HN 0.462 nan 8.290 nan 0.000 0.423 265 A N 0.111 123.001 122.820 0.117 0.000 1.917 265 A HA -0.187 4.132 4.320 -0.000 0.000 0.219 265 A C 2.318 180.066 177.584 0.273 0.000 1.182 265 A CA 2.522 54.662 52.037 0.171 0.000 0.633 265 A CB -1.294 17.849 19.000 0.239 0.000 0.819 265 A HN 0.499 nan 8.150 nan 0.000 0.448 266 T N -0.116 114.572 114.554 0.224 0.000 2.720 266 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 266 T C 2.033 176.902 174.700 0.280 0.000 1.037 266 T CA 1.633 63.871 62.100 0.230 0.000 1.144 266 T CB -0.234 68.669 68.868 0.058 0.000 0.864 266 T HN 0.476 nan 8.240 nan 0.000 0.444 267 Q N 0.330 120.231 119.800 0.167 0.000 2.172 267 Q HA 0.163 4.503 4.340 -0.000 0.000 0.200 267 Q C 2.431 178.462 176.000 0.052 0.000 0.964 267 Q CA 0.783 56.656 55.803 0.117 0.000 0.855 267 Q CB -0.457 28.329 28.738 0.080 0.000 0.918 267 Q HN 0.555 nan 8.270 nan 0.000 0.444 268 I N -0.172 120.408 120.570 0.017 0.000 2.179 268 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 268 I C 1.828 177.808 176.117 -0.228 0.000 1.088 268 I CA 1.131 62.343 61.300 -0.146 0.000 1.357 268 I CB -0.342 37.567 38.000 -0.152 0.000 1.051 268 I HN 0.031 nan 8.210 nan 0.000 0.409 269 F N 1.071 121.014 119.950 -0.011 0.000 2.216 269 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 269 F C 2.520 178.245 175.800 -0.125 0.000 1.085 269 F CA 1.425 59.406 58.000 -0.031 0.000 1.326 269 F CB -0.502 38.558 39.000 0.100 0.000 1.027 269 F HN 0.055 nan 8.300 nan 0.000 0.497 270 E N 0.341 120.585 120.200 0.073 0.000 2.110 270 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 270 E C 2.520 179.043 176.600 -0.128 0.000 0.988 270 E CA 1.346 57.672 56.400 -0.124 0.000 0.804 270 E CB -0.852 28.844 29.700 -0.007 0.000 0.745 270 E HN 0.278 nan 8.360 nan 0.000 0.458 271 G N -0.138 108.584 108.800 -0.130 0.000 2.446 271 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.217 271 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.217 271 G C 1.659 176.437 174.900 -0.203 0.000 1.168 271 G CA 0.848 45.837 45.100 -0.185 0.000 0.771 271 G HN 0.464 nan 8.290 nan 0.000 0.551 272 G N 0.476 109.147 108.800 -0.214 0.000 2.440 272 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 272 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 272 G C 1.971 176.784 174.900 -0.146 0.000 1.154 272 G CA 0.936 45.922 45.100 -0.190 0.000 0.767 272 G HN 0.456 nan 8.290 nan 0.000 0.552 273 R N 0.517 120.931 120.500 -0.142 0.000 2.081 273 R HA 0.042 4.381 4.340 -0.000 0.000 0.235 273 R C 3.010 179.233 176.300 -0.127 0.000 1.131 273 R CA 1.157 57.167 56.100 -0.150 0.000 0.960 273 R CB -0.390 29.777 30.300 -0.222 0.000 0.856 273 R HN 0.341 nan 8.270 nan 0.000 0.436 274 A N 0.762 123.507 122.820 -0.126 0.000 1.978 274 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 274 A C 1.942 179.471 177.584 -0.093 0.000 1.170 274 A CA 1.392 53.369 52.037 -0.100 0.000 0.636 274 A CB -0.386 18.557 19.000 -0.095 0.000 0.810 274 A HN 0.232 nan 8.150 nan 0.000 0.448 275 M N -1.120 118.414 119.600 -0.109 0.000 2.628 275 M HA 0.177 4.657 4.480 -0.000 0.000 0.232 275 M C 1.215 177.462 176.300 -0.087 0.000 1.128 275 M CA 0.720 55.960 55.300 -0.101 0.000 1.040 275 M CB 0.152 32.676 32.600 -0.128 0.000 1.608 275 M HN 0.615 nan 8.290 nan 0.000 0.507 276 G N 0.545 109.294 108.800 -0.085 0.000 2.137 276 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.237 276 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.237 276 G C 0.191 175.048 174.900 -0.073 0.000 1.002 276 G CA -0.345 44.713 45.100 -0.070 0.000 0.702 276 G HN 0.334 nan 8.290 nan 0.000 0.515 277 L N 1.056 122.223 121.223 -0.094 0.000 2.628 277 L HA 0.362 4.701 4.340 -0.000 0.000 0.229 277 L C 2.556 179.372 176.870 -0.090 0.000 1.137 277 L CA 1.056 55.836 54.840 -0.099 0.000 0.909 277 L CB -0.391 41.582 42.059 -0.143 0.000 1.137 277 L HN 0.276 nan 8.230 nan 0.000 0.470 278 G N -0.052 108.694 108.800 -0.090 0.000 2.450 278 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 278 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 278 G C 1.809 176.652 174.900 -0.095 0.000 1.130 278 G CA 0.457 45.498 45.100 -0.099 0.000 0.760 278 G HN 0.344 nan 8.290 nan 0.000 0.557 279 R N 0.282 120.742 120.500 -0.068 0.000 2.300 279 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 279 R C 0.500 176.783 176.300 -0.029 0.000 0.920 279 R CA -0.084 55.985 56.100 -0.052 0.000 1.046 279 R CB 0.273 30.555 30.300 -0.030 0.000 0.984 279 R HN 0.440 nan 8.270 nan 0.000 0.493 280 E N 0.991 121.176 120.200 -0.024 0.000 2.345 280 E HA 0.000 4.350 4.350 -0.000 0.000 0.259 280 E C -0.699 175.894 176.600 -0.011 0.000 1.117 280 E CA -0.533 55.883 56.400 0.026 0.000 0.913 280 E CB 0.615 30.334 29.700 0.032 0.000 1.057 280 E HN -0.008 nan 8.360 nan 0.000 0.432 281 D N 0.582 121.000 120.400 0.031 0.000 2.506 281 D HA -0.109 4.530 4.640 -0.000 0.000 0.234 281 D C 1.117 177.374 176.300 -0.071 0.000 1.143 281 D CA 0.187 54.121 54.000 -0.109 0.000 0.871 281 D CB 0.659 41.186 40.800 -0.455 0.000 1.190 281 D HN 0.368 nan 8.370 nan 0.000 0.459 282 M N 1.771 121.327 119.600 -0.074 0.000 2.346 282 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 282 M C 1.720 178.124 176.300 0.174 0.000 1.064 282 M CA 1.599 56.931 55.300 0.054 0.000 1.083 282 M CB -0.665 31.945 32.600 0.016 0.000 1.399 282 M HN 0.287 nan 8.290 nan 0.000 0.435 283 S N 0.662 116.416 115.700 0.091 0.000 2.507 283 S HA 0.169 4.638 4.470 -0.000 0.000 0.235 283 S C 2.069 176.675 174.600 0.009 0.000 0.988 283 S CA 0.520 58.813 58.200 0.155 0.000 0.944 283 S CB -0.735 62.609 63.200 0.240 0.000 0.762 283 S HN 0.606 nan 8.310 nan 0.000 0.526 284 A N 1.320 123.971 122.820 -0.281 0.000 2.076 284 A HA 0.037 4.357 4.320 -0.000 0.000 0.220 284 A C 2.210 179.505 177.584 -0.481 0.000 1.160 284 A CA 1.212 52.725 52.037 -0.874 0.000 0.653 284 A CB -1.096 17.503 19.000 -0.667 0.000 0.801 284 A HN 0.542 nan 8.150 nan 0.000 0.455 285 V N -0.074 119.691 119.914 -0.249 0.000 2.660 285 V HA -0.246 3.874 4.120 -0.000 0.000 0.257 285 V C 2.084 177.967 176.094 -0.352 0.000 1.088 285 V CA 1.963 64.079 62.300 -0.307 0.000 1.106 285 V CB -0.467 31.105 31.823 -0.418 0.000 0.686 285 V HN 0.661 nan 8.190 nan 0.000 0.481 286 I N -0.416 120.028 120.570 -0.209 0.000 2.423 286 I HA -0.277 3.893 4.170 -0.000 0.000 0.254 286 I C 2.407 178.453 176.117 -0.118 0.000 1.151 286 I CA 1.689 62.947 61.300 -0.069 0.000 1.421 286 I CB -0.200 37.840 38.000 0.067 0.000 1.079 286 I HN 0.310 nan 8.210 nan 0.000 0.431 287 K N -0.177 120.086 120.400 -0.229 0.000 2.209 287 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 287 K C 1.913 178.380 176.600 -0.222 0.000 1.048 287 K CA 1.241 57.414 56.287 -0.190 0.000 0.940 287 K CB -0.089 32.270 32.500 -0.236 0.000 0.729 287 K HN 0.261 nan 8.250 nan 0.000 0.451 288 V N 0.352 120.030 119.914 -0.394 0.000 2.252 288 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 288 V C 1.824 177.679 176.094 -0.398 0.000 1.056 288 V CA 2.008 63.979 62.300 -0.549 0.000 1.022 288 V CB -0.586 30.656 31.823 -0.968 0.000 0.641 288 V HN 0.456 nan 8.190 nan 0.000 0.445 289 W N -0.126 121.132 121.300 -0.070 0.000 2.409 289 W HA -0.035 4.625 4.660 0.000 0.000 0.299 289 W C 2.526 179.025 176.519 -0.033 0.000 1.203 289 W CA 0.528 57.843 57.345 -0.049 0.000 1.298 289 W CB -0.259 29.172 29.460 -0.048 0.000 1.127 289 W HN 0.205 nan 8.180 nan 0.000 0.528 290 E N 0.630 120.929 120.200 0.165 0.000 2.085 290 E HA -0.315 4.034 4.350 -0.000 0.000 0.194 290 E C 2.043 178.683 176.600 0.067 0.000 0.994 290 E CA 1.494 57.955 56.400 0.101 0.000 0.801 290 E CB -0.378 29.361 29.700 0.066 0.000 0.743 290 E HN 0.408 nan 8.360 nan 0.000 0.453 291 Q N 0.268 120.086 119.800 0.030 0.000 2.123 291 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 291 Q C 2.131 178.151 176.000 0.033 0.000 0.966 291 Q CA 0.852 56.663 55.803 0.013 0.000 0.845 291 Q CB 0.058 28.779 28.738 -0.027 0.000 0.907 291 Q HN 0.258 nan 8.270 nan 0.000 0.439 292 M N -0.267 119.372 119.600 0.065 0.000 2.254 292 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 292 M C 1.725 178.078 176.300 0.087 0.000 1.066 292 M CA 1.853 57.207 55.300 0.090 0.000 1.123 292 M CB 0.187 32.890 32.600 0.173 0.000 1.388 292 M HN 0.323 nan 8.290 nan 0.000 0.425 293 T N -4.556 110.055 114.554 0.096 0.000 3.015 293 T HA 0.314 4.663 4.350 -0.000 0.000 0.250 293 T C 1.402 176.130 174.700 0.047 0.000 1.057 293 T CA 0.658 62.798 62.100 0.067 0.000 1.066 293 T CB 0.278 69.188 68.868 0.070 0.000 0.959 293 T HN 0.553 nan 8.240 nan 0.000 0.488 294 G N 1.129 109.958 108.800 0.049 0.000 2.162 294 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 294 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 294 G C 0.083 175.007 174.900 0.040 0.000 0.976 294 G CA 0.102 45.225 45.100 0.038 0.000 0.655 294 G HN 0.735 nan 8.290 nan 0.000 0.533 295 V N 0.965 120.909 119.914 0.049 0.000 2.530 295 V HA 0.570 4.690 4.120 -0.000 0.000 0.282 295 V C 0.853 176.981 176.094 0.058 0.000 1.048 295 V CA 0.584 62.913 62.300 0.047 0.000 0.997 295 V CB 1.673 33.524 31.823 0.047 0.000 0.987 295 V HN 0.504 nan 8.190 nan 0.000 0.477 296 S N 3.959 119.690 115.700 0.051 0.000 2.438 296 S HA 0.449 4.918 4.470 -0.000 0.000 0.316 296 S C 0.443 175.081 174.600 0.064 0.000 1.084 296 S CA -0.678 57.558 58.200 0.060 0.000 1.107 296 S CB 1.399 64.629 63.200 0.050 0.000 0.981 296 S HN 0.431 nan 8.310 nan 0.000 0.466 297 V N 4.203 124.167 119.914 0.084 0.000 2.690 297 V HA 0.091 4.211 4.120 -0.000 0.000 0.240 297 V C 1.319 177.471 176.094 0.097 0.000 1.078 297 V CA 0.875 63.227 62.300 0.088 0.000 1.102 297 V CB -0.355 31.532 31.823 0.107 0.000 0.800 297 V HN 0.948 nan 8.190 nan 0.000 0.479 298 S N 1.831 117.614 115.700 0.137 0.000 4.120 298 S HA 0.388 4.857 4.470 -0.000 0.000 0.215 298 S C 0.626 175.282 174.600 0.093 0.000 1.347 298 S CA 0.004 58.294 58.200 0.150 0.000 0.889 298 S CB -0.331 63.059 63.200 0.316 0.000 1.585 298 S HN 0.470 nan 8.310 nan 0.000 0.447 299 G N 0.000 108.833 108.800 0.055 0.000 5.446 299 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 299 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 299 G CA 0.000 45.121 45.100 0.036 0.000 0.502 299 G HN 0.000 nan 8.290 nan 0.000 0.925