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 1g2v_1_E DATA FIRST_RESID 2 DATA SEQUENCE KRKGIILAGG SGTRLHPATL AISKQLLPVY DKPMIYYPLS TLMLAGIREI DATA SEQUENCE LIISTPQDTP RFQQLLGDGS NWGLDLQYAV QPSPDGLAQA FLIGESFIGN DATA SEQUENCE DLSALVLGDN LYYGHDFHEL LGSASQRQTG ASVFAYHVLD PERYGVVEFD DATA SEQUENCE QGGKAISLEE KPLEPKSNYA VTGLYFYDQQ VVDIARDLKP SPRGELEITD DATA SEQUENCE VNRAYLERGQ LSVEIMGRGY AWLDTGTHDS LLEAGQFIAT LENRQGLKVA DATA SEQUENCE CPEEIAYRQK WIDAAQLEKL AAPLAKNGYG QYLKRLLTET VY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.607 176.600 0.011 0.000 0.988 2 K CA 0.000 56.288 56.287 0.002 0.000 0.838 2 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 3 R N 3.058 123.577 120.500 0.032 0.000 2.562 3 R HA 0.511 4.851 4.340 -0.000 0.000 0.298 3 R C -0.723 175.598 176.300 0.035 0.000 0.961 3 R CA -0.803 55.329 56.100 0.053 0.000 0.881 3 R CB 1.080 31.448 30.300 0.113 0.000 1.159 3 R HN 0.497 nan 8.270 nan 0.000 0.450 4 K N 1.458 121.869 120.400 0.018 0.000 2.130 4 K HA 0.390 4.710 4.320 -0.000 0.000 0.268 4 K C -0.182 176.509 176.600 0.152 0.000 0.983 4 K CA -0.707 55.594 56.287 0.024 0.000 0.893 4 K CB 2.044 34.419 32.500 -0.208 0.000 1.066 4 K HN 0.716 nan 8.250 nan 0.000 0.450 5 G N 2.066 110.992 108.800 0.209 0.000 2.417 5 G HA2 0.675 4.635 3.960 -0.000 0.000 0.334 5 G HA3 0.675 4.635 3.960 -0.000 0.000 0.334 5 G C -0.674 174.304 174.900 0.130 0.000 1.150 5 G CA -0.688 44.499 45.100 0.144 0.000 0.923 5 G HN 0.472 nan 8.290 nan 0.000 0.485 6 I N 0.770 121.355 120.570 0.025 0.000 2.582 6 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 6 I C -0.762 175.306 176.117 -0.081 0.000 1.066 6 I CA -0.672 60.569 61.300 -0.098 0.000 1.053 6 I CB 2.496 40.402 38.000 -0.157 0.000 1.241 6 I HN 0.186 nan 8.210 nan 0.000 0.421 7 I N 6.383 126.879 120.570 -0.124 0.000 2.382 7 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 7 I C -0.807 175.243 176.117 -0.112 0.000 1.002 7 I CA -0.735 60.518 61.300 -0.078 0.000 1.135 7 I CB 1.955 39.909 38.000 -0.077 0.000 1.288 7 I HN 0.296 nan 8.210 nan 0.000 0.448 8 L N 7.311 128.502 121.223 -0.054 0.000 2.268 8 L HA 0.543 4.883 4.340 -0.000 0.000 0.289 8 L C 0.425 177.267 176.870 -0.046 0.000 1.064 8 L CA 0.237 55.041 54.840 -0.059 0.000 0.824 8 L CB 0.856 42.908 42.059 -0.012 0.000 1.202 8 L HN 0.702 nan 8.230 nan 0.000 0.433 9 A N 4.020 126.776 122.820 -0.107 0.000 2.956 9 A HA 0.723 5.043 4.320 -0.000 0.000 0.294 9 A C 0.498 178.068 177.584 -0.023 0.000 0.993 9 A CA 0.153 52.126 52.037 -0.106 0.000 1.032 9 A CB -0.289 18.510 19.000 -0.336 0.000 1.129 9 A HN 0.766 nan 8.150 nan 0.000 0.505 10 G N -0.370 108.441 108.800 0.018 0.000 3.410 10 G HA2 0.716 4.676 3.960 -0.000 0.000 0.189 10 G HA3 0.716 4.676 3.960 -0.000 0.000 0.189 10 G C 0.674 175.613 174.900 0.063 0.000 1.404 10 G CA -0.129 45.008 45.100 0.060 0.000 0.898 10 G HN 1.835 nan 8.290 nan 0.000 0.650 11 G N -1.844 106.985 108.800 0.049 0.000 2.756 11 G HA2 0.170 4.130 3.960 -0.000 0.000 0.678 11 G HA3 0.170 4.130 3.960 -0.000 0.000 0.678 11 G C 0.644 175.569 174.900 0.042 0.000 1.349 11 G CA 0.640 45.764 45.100 0.039 0.000 0.847 11 G HN 1.551 nan 8.290 nan 0.000 0.548 12 S N -0.713 115.000 115.700 0.022 0.000 2.505 12 S HA 0.445 4.915 4.470 -0.000 0.000 0.216 12 S C 1.951 176.541 174.600 -0.018 0.000 1.018 12 S CA 1.201 59.418 58.200 0.030 0.000 0.911 12 S CB 0.862 64.082 63.200 0.035 0.000 0.818 12 S HN 2.785 nan 8.310 nan 0.000 0.497 13 G N 2.791 111.549 108.800 -0.070 0.000 2.323 13 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.292 13 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.292 13 G C 0.750 175.434 174.900 -0.359 0.000 1.040 13 G CA 0.828 45.846 45.100 -0.136 0.000 0.942 13 G HN 0.753 nan 8.290 nan 0.000 0.506 14 T N -2.672 111.608 114.554 -0.458 0.000 2.915 14 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 14 T C 2.117 176.499 174.700 -0.530 0.000 1.071 14 T CA 1.412 62.981 62.100 -0.886 0.000 1.132 14 T CB -0.144 68.492 68.868 -0.387 0.000 0.878 14 T HN 0.513 nan 8.240 nan 0.000 0.479 15 R N 0.522 120.836 120.500 -0.310 0.000 2.159 15 R HA 0.111 4.451 4.340 -0.000 0.000 0.237 15 R C 1.899 178.000 176.300 -0.331 0.000 1.131 15 R CA 1.094 57.040 56.100 -0.255 0.000 0.982 15 R CB -0.424 29.745 30.300 -0.219 0.000 0.868 15 R HN 0.457 nan 8.270 nan 0.000 0.453 16 L N -0.435 120.631 121.223 -0.262 0.000 2.592 16 L HA 0.102 4.442 4.340 -0.000 0.000 0.227 16 L C 0.204 177.182 176.870 0.180 0.000 1.127 16 L CA -0.279 54.492 54.840 -0.115 0.000 0.884 16 L CB -0.319 41.713 42.059 -0.045 0.000 1.065 16 L HN 0.222 nan 8.230 nan 0.000 0.457 17 H N 1.491 120.610 119.070 0.081 0.000 3.016 17 H HA -0.033 4.523 4.556 -0.000 0.000 0.345 17 H C -1.285 174.132 175.328 0.149 0.000 1.066 17 H CA -1.166 54.938 56.048 0.093 0.000 1.390 17 H CB 0.660 30.453 29.762 0.053 0.000 1.344 17 H HN -0.011 nan 8.280 nan 0.000 0.605 18 P HA 0.048 nan 4.420 nan 0.000 0.251 18 P C 1.060 178.439 177.300 0.132 0.000 1.223 18 P CA 0.531 63.709 63.100 0.129 0.000 0.796 18 P CB 0.224 31.940 31.700 0.026 0.000 1.068 19 A N 0.778 123.689 122.820 0.151 0.000 2.054 19 A HA -0.197 4.123 4.320 -0.000 0.000 0.223 19 A C 1.842 179.497 177.584 0.118 0.000 1.169 19 A CA 2.446 54.550 52.037 0.113 0.000 0.655 19 A CB -1.676 17.400 19.000 0.127 0.000 0.812 19 A HN 0.390 nan 8.150 nan 0.000 0.462 20 T N -3.735 110.933 114.554 0.190 0.000 3.174 20 T HA 0.476 4.826 4.350 -0.000 0.000 0.269 20 T C 1.251 176.057 174.700 0.176 0.000 1.017 20 T CA 0.034 62.231 62.100 0.162 0.000 0.899 20 T CB -0.102 68.849 68.868 0.139 0.000 1.077 20 T HN 0.233 nan 8.240 nan 0.000 0.552 21 L N 0.553 121.849 121.223 0.120 0.000 2.046 21 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 21 L C 2.990 179.873 176.870 0.022 0.000 1.077 21 L CA 1.741 56.586 54.840 0.008 0.000 0.747 21 L CB -0.400 41.596 42.059 -0.104 0.000 0.896 21 L HN 0.496 nan 8.230 nan 0.000 0.432 22 A N -1.446 121.385 122.820 0.019 0.000 2.030 22 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 22 A C 1.043 178.631 177.584 0.007 0.000 1.164 22 A CA 0.458 52.498 52.037 0.004 0.000 0.697 22 A CB 0.213 19.210 19.000 -0.006 0.000 0.827 22 A HN 0.302 nan 8.150 nan 0.000 0.457 23 I N -1.263 119.319 120.570 0.020 0.000 2.994 23 I HA 0.342 4.512 4.170 -0.000 0.000 0.306 23 I C -0.120 176.019 176.117 0.036 0.000 1.195 23 I CA -0.853 60.451 61.300 0.007 0.000 1.001 23 I CB 2.220 40.206 38.000 -0.023 0.000 1.244 23 I HN 0.091 nan 8.210 nan 0.000 0.437 24 S N 4.372 120.093 115.700 0.035 0.000 2.560 24 S HA 0.046 4.516 4.470 -0.000 0.000 0.284 24 S C 1.158 175.817 174.600 0.098 0.000 1.327 24 S CA 0.252 58.507 58.200 0.092 0.000 1.055 24 S CB 0.978 64.281 63.200 0.171 0.000 0.868 24 S HN 0.799 nan 8.310 nan 0.000 0.506 25 K N 2.474 122.935 120.400 0.101 0.000 2.074 25 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 25 K C 1.625 178.302 176.600 0.128 0.000 1.048 25 K CA 2.010 58.349 56.287 0.087 0.000 0.926 25 K CB -0.248 32.288 32.500 0.060 0.000 0.713 25 K HN 0.698 nan 8.250 nan 0.000 0.444 26 Q N 0.242 120.170 119.800 0.214 0.000 2.541 26 Q HA 0.035 4.375 4.340 -0.000 0.000 0.215 26 Q C 1.195 177.391 176.000 0.326 0.000 0.977 26 Q CA 0.607 56.587 55.803 0.294 0.000 0.934 26 Q CB 0.186 29.131 28.738 0.344 0.000 0.988 26 Q HN 0.384 nan 8.270 nan 0.000 0.521 27 L N -0.863 120.461 121.223 0.167 0.000 2.590 27 L HA 0.209 4.549 4.340 -0.000 0.000 0.227 27 L C 0.115 177.001 176.870 0.025 0.000 1.099 27 L CA -0.211 54.656 54.840 0.045 0.000 0.872 27 L CB 0.156 42.141 42.059 -0.123 0.000 1.088 27 L HN 0.149 nan 8.230 nan 0.000 0.479 28 L N 0.718 121.968 121.223 0.044 0.000 2.473 28 L HA 0.188 4.528 4.340 -0.000 0.000 0.268 28 L C -2.131 174.759 176.870 0.033 0.000 1.215 28 L CA -1.811 53.046 54.840 0.027 0.000 0.823 28 L CB -0.369 41.712 42.059 0.036 0.000 1.099 28 L HN -0.207 nan 8.230 nan 0.000 0.483 29 P HA 0.140 nan 4.420 nan 0.000 0.278 29 P C -0.947 176.389 177.300 0.060 0.000 1.238 29 P CA -0.301 62.811 63.100 0.019 0.000 0.794 29 P CB 1.008 32.696 31.700 -0.019 0.000 0.955 30 V N 5.222 125.211 119.914 0.125 0.000 2.293 30 V HA 0.173 4.293 4.120 -0.000 0.000 0.275 30 V C 0.436 176.670 176.094 0.234 0.000 1.021 30 V CA 0.024 62.382 62.300 0.097 0.000 0.815 30 V CB -0.745 31.012 31.823 -0.109 0.000 1.025 30 V HN 0.688 nan 8.190 nan 0.000 0.448 31 Y N 4.558 124.876 120.300 0.031 0.000 2.783 31 Y HA -0.440 4.110 4.550 -0.000 0.000 0.474 31 Y C 1.394 177.311 175.900 0.028 0.000 1.132 31 Y CA 2.552 60.671 58.100 0.031 0.000 2.790 31 Y CB -1.024 37.462 38.460 0.043 0.000 1.128 31 Y HN 0.738 nan 8.280 nan 0.000 0.608 32 D N 1.198 121.490 120.400 -0.181 0.000 2.469 32 D HA 0.218 4.858 4.640 -0.000 0.000 0.213 32 D C 0.138 176.318 176.300 -0.200 0.000 1.135 32 D CA 0.611 54.396 54.000 -0.358 0.000 0.834 32 D CB 0.176 40.693 40.800 -0.471 0.000 1.009 32 D HN 0.699 nan 8.370 nan 0.000 0.507 33 K N -0.744 119.589 120.400 -0.111 0.000 2.509 33 K HA 0.615 4.935 4.320 -0.000 0.000 0.266 33 K C -3.363 173.085 176.600 -0.254 0.000 0.987 33 K CA -2.098 54.002 56.287 -0.311 0.000 0.868 33 K CB 1.550 33.823 32.500 -0.379 0.000 1.421 33 K HN -0.350 nan 8.250 nan 0.000 0.444 34 P HA 0.004 nan 4.420 nan 0.000 0.268 34 P C 0.727 178.067 177.300 0.066 0.000 1.204 34 P CA -0.237 62.751 63.100 -0.187 0.000 0.768 34 P CB 0.543 32.118 31.700 -0.207 0.000 0.842 35 M N 4.144 123.867 119.600 0.206 0.000 2.124 35 M HA -0.249 4.231 4.480 -0.000 0.000 0.253 35 M C 1.600 178.164 176.300 0.440 0.000 1.077 35 M CA 2.090 57.597 55.300 0.344 0.000 1.085 35 M CB -0.518 32.200 32.600 0.197 0.000 1.320 35 M HN 0.332 nan 8.290 nan 0.000 0.404 36 I N -0.193 120.602 120.570 0.375 0.000 2.850 36 I HA -0.286 3.884 4.170 -0.000 0.000 0.266 36 I C 1.266 177.656 176.117 0.456 0.000 1.257 36 I CA 0.804 62.336 61.300 0.385 0.000 1.465 36 I CB -0.167 38.066 38.000 0.388 0.000 1.091 36 I HN 0.338 nan 8.210 nan 0.000 0.467 37 Y N 0.175 120.588 120.300 0.188 0.000 2.274 37 Y HA -0.247 4.303 4.550 -0.000 0.000 0.290 37 Y C 2.096 177.995 175.900 -0.001 0.000 1.145 37 Y CA 1.121 59.248 58.100 0.046 0.000 1.203 37 Y CB -1.234 37.132 38.460 -0.157 0.000 0.984 37 Y HN 0.252 nan 8.280 nan 0.000 0.533 38 Y N -0.091 120.405 120.300 0.326 0.000 2.070 38 Y HA -0.184 4.366 4.550 -0.000 0.000 0.279 38 Y C -0.091 175.962 175.900 0.255 0.000 1.134 38 Y CA 1.697 59.953 58.100 0.258 0.000 1.113 38 Y CB -2.144 36.436 38.460 0.199 0.000 0.981 38 Y HN 0.076 nan 8.280 nan 0.000 0.487 39 P HA -0.143 nan 4.420 nan 0.000 0.218 39 P C 1.776 179.220 177.300 0.239 0.000 1.149 39 P CA 1.079 64.363 63.100 0.307 0.000 0.817 39 P CB -0.066 31.783 31.700 0.248 0.000 0.785 40 L N 0.886 122.241 121.223 0.220 0.000 2.012 40 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 40 L C 2.409 179.384 176.870 0.175 0.000 1.073 40 L CA 2.574 57.522 54.840 0.180 0.000 0.748 40 L CB -1.624 40.545 42.059 0.183 0.000 0.891 40 L HN 0.033 nan 8.230 nan 0.000 0.431 41 S N -2.811 112.990 115.700 0.168 0.000 2.423 41 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 41 S C 1.853 176.579 174.600 0.211 0.000 1.014 41 S CA 1.433 59.724 58.200 0.152 0.000 0.965 41 S CB -0.965 62.309 63.200 0.122 0.000 0.785 41 S HN 0.542 nan 8.310 nan 0.000 0.495 42 T N 2.872 117.584 114.554 0.264 0.000 2.737 42 T HA 0.135 4.485 4.350 -0.000 0.000 0.265 42 T C 1.691 176.493 174.700 0.170 0.000 1.038 42 T CA 1.470 63.738 62.100 0.279 0.000 1.144 42 T CB -0.462 68.610 68.868 0.340 0.000 0.866 42 T HN 0.337 nan 8.240 nan 0.000 0.434 43 L N 0.275 121.595 121.223 0.162 0.000 2.046 43 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 43 L C 2.652 179.637 176.870 0.191 0.000 1.077 43 L CA 1.275 56.201 54.840 0.143 0.000 0.747 43 L CB -0.543 41.591 42.059 0.125 0.000 0.896 43 L HN 0.329 nan 8.230 nan 0.000 0.432 44 M N -0.569 119.165 119.600 0.223 0.000 2.159 44 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 44 M C 2.105 178.518 176.300 0.189 0.000 1.063 44 M CA 1.670 57.161 55.300 0.318 0.000 1.110 44 M CB -0.331 32.448 32.600 0.299 0.000 1.374 44 M HN 0.203 nan 8.290 nan 0.000 0.411 45 L N -0.289 121.005 121.223 0.119 0.000 2.465 45 L HA -0.016 4.324 4.340 -0.000 0.000 0.224 45 L C 2.165 179.031 176.870 -0.007 0.000 1.145 45 L CA 0.158 55.042 54.840 0.073 0.000 0.834 45 L CB -0.505 41.615 42.059 0.102 0.000 0.944 45 L HN 0.228 nan 8.230 nan 0.000 0.451 46 A N -0.324 122.518 122.820 0.038 0.000 2.337 46 A HA 0.412 4.732 4.320 -0.000 0.000 0.227 46 A C 1.645 179.281 177.584 0.086 0.000 1.259 46 A CA 0.489 52.536 52.037 0.018 0.000 0.870 46 A CB -0.493 18.588 19.000 0.136 0.000 0.927 46 A HN 0.439 nan 8.150 nan 0.000 0.497 47 G N -0.556 108.341 108.800 0.163 0.000 2.147 47 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 47 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 47 G C -0.001 175.098 174.900 0.331 0.000 1.005 47 G CA 0.415 45.697 45.100 0.304 0.000 0.713 47 G HN 0.506 nan 8.290 nan 0.000 0.515 48 I N -0.364 120.385 120.570 0.298 0.000 2.336 48 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 48 I C 1.411 177.578 176.117 0.082 0.000 0.991 48 I CA -0.781 60.612 61.300 0.156 0.000 1.227 48 I CB 1.446 39.528 38.000 0.137 0.000 1.366 48 I HN 0.043 nan 8.210 nan 0.000 0.466 49 R N 3.183 123.600 120.500 -0.137 0.000 2.373 49 R HA 0.170 4.510 4.340 -0.000 0.000 0.221 49 R C 0.124 176.340 176.300 -0.141 0.000 0.893 49 R CA 0.022 55.923 56.100 -0.332 0.000 1.049 49 R CB 0.689 30.582 30.300 -0.679 0.000 1.119 49 R HN 0.555 nan 8.270 nan 0.000 0.535 50 E N 1.550 121.724 120.200 -0.044 0.000 2.155 50 E HA 0.402 4.752 4.350 -0.000 0.000 0.264 50 E C -1.168 175.553 176.600 0.202 0.000 0.886 50 E CA -0.305 56.120 56.400 0.043 0.000 0.752 50 E CB 0.952 30.650 29.700 -0.004 0.000 1.133 50 E HN 0.030 nan 8.360 nan 0.000 0.414 51 I N 4.651 125.324 120.570 0.172 0.000 2.656 51 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 51 I C -1.264 174.683 176.117 -0.283 0.000 1.144 51 I CA -1.140 60.198 61.300 0.063 0.000 1.038 51 I CB 1.967 39.964 38.000 -0.005 0.000 1.244 51 I HN 0.480 nan 8.210 nan 0.000 0.420 52 L N 7.445 128.293 121.223 -0.626 0.000 2.272 52 L HA 0.596 4.936 4.340 -0.000 0.000 0.289 52 L C -0.964 175.581 176.870 -0.541 0.000 1.032 52 L CA 0.079 54.372 54.840 -0.912 0.000 0.810 52 L CB 1.009 42.084 42.059 -1.639 0.000 1.205 52 L HN 0.394 nan 8.230 nan 0.000 0.422 53 I N 6.472 126.723 120.570 -0.532 0.000 2.321 53 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 53 I C -0.408 175.554 176.117 -0.258 0.000 0.998 53 I CA -0.276 60.794 61.300 -0.384 0.000 1.227 53 I CB 1.214 38.970 38.000 -0.406 0.000 1.368 53 I HN 0.540 nan 8.210 nan 0.000 0.466 54 I N 5.522 125.962 120.570 -0.217 0.000 2.377 54 I HA 0.427 4.597 4.170 -0.000 0.000 0.293 54 I C 0.129 176.184 176.117 -0.104 0.000 0.987 54 I CA 0.022 61.243 61.300 -0.132 0.000 1.185 54 I CB 1.894 39.814 38.000 -0.132 0.000 1.341 54 I HN 0.522 nan 8.210 nan 0.000 0.455 55 S N 2.689 118.383 115.700 -0.011 0.000 2.776 55 S HA 0.527 4.997 4.470 -0.000 0.000 0.292 55 S C -0.357 174.294 174.600 0.085 0.000 1.187 55 S CA -0.520 57.713 58.200 0.056 0.000 0.834 55 S CB 1.541 64.840 63.200 0.166 0.000 1.199 55 S HN 0.735 nan 8.310 nan 0.000 0.514 56 T N 0.929 115.550 114.554 0.112 0.000 2.734 56 T HA 0.285 4.635 4.350 -0.000 0.000 0.314 56 T C -2.018 172.729 174.700 0.080 0.000 1.057 56 T CA -0.630 61.520 62.100 0.083 0.000 1.047 56 T CB -0.244 68.675 68.868 0.084 0.000 0.991 56 T HN 0.370 nan 8.240 nan 0.000 0.540 57 P HA -0.149 nan 4.420 nan 0.000 0.216 57 P C 1.941 179.264 177.300 0.039 0.000 1.150 57 P CA 1.101 64.227 63.100 0.043 0.000 0.837 57 P CB -0.053 31.665 31.700 0.030 0.000 0.786 58 Q N -0.718 119.105 119.800 0.038 0.000 2.187 58 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 58 Q C 0.973 176.989 176.000 0.026 0.000 0.957 58 Q CA 1.478 57.295 55.803 0.024 0.000 0.857 58 Q CB -1.028 27.721 28.738 0.018 0.000 0.929 58 Q HN 0.272 nan 8.270 nan 0.000 0.453 59 D N 0.655 121.095 120.400 0.065 0.000 2.346 59 D HA 0.033 4.673 4.640 -0.000 0.000 0.206 59 D C 1.364 177.749 176.300 0.141 0.000 1.001 59 D CA 0.578 54.614 54.000 0.060 0.000 0.871 59 D CB 0.300 41.178 40.800 0.131 0.000 0.943 59 D HN 0.209 nan 8.370 nan 0.000 0.518 60 T N 1.685 116.351 114.554 0.187 0.000 2.684 60 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 60 T C -0.878 173.865 174.700 0.072 0.000 1.036 60 T CA 1.163 63.401 62.100 0.231 0.000 1.148 60 T CB -0.808 68.147 68.868 0.144 0.000 0.863 60 T HN 0.136 nan 8.240 nan 0.000 0.436 61 P HA -0.090 nan 4.420 nan 0.000 0.216 61 P C 1.381 178.614 177.300 -0.112 0.000 1.150 61 P CA 1.305 64.347 63.100 -0.095 0.000 0.843 61 P CB -0.056 31.604 31.700 -0.067 0.000 0.787 62 R N -1.905 118.525 120.500 -0.117 0.000 2.092 62 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 62 R C 2.239 178.416 176.300 -0.204 0.000 1.119 62 R CA 1.156 57.140 56.100 -0.194 0.000 0.970 62 R CB -0.870 29.267 30.300 -0.273 0.000 0.864 62 R HN 0.243 nan 8.270 nan 0.000 0.440 63 F N 1.116 121.060 119.950 -0.010 0.000 2.234 63 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 63 F C 2.829 178.616 175.800 -0.022 0.000 1.087 63 F CA 1.185 59.227 58.000 0.070 0.000 1.340 63 F CB -0.131 38.987 39.000 0.197 0.000 1.031 63 F HN 0.096 nan 8.300 nan 0.000 0.500 64 Q N 0.474 120.174 119.800 -0.166 0.000 2.079 64 Q HA -0.261 4.079 4.340 -0.000 0.000 0.200 64 Q C 2.294 178.187 176.000 -0.177 0.000 0.974 64 Q CA 1.489 56.997 55.803 -0.492 0.000 0.840 64 Q CB -0.237 28.068 28.738 -0.722 0.000 0.898 64 Q HN 0.469 nan 8.270 nan 0.000 0.430 65 Q N -0.045 119.678 119.800 -0.128 0.000 2.181 65 Q HA -0.194 4.146 4.340 -0.000 0.000 0.205 65 Q C 2.013 177.993 176.000 -0.034 0.000 0.980 65 Q CA 1.267 57.023 55.803 -0.079 0.000 0.862 65 Q CB 0.017 28.707 28.738 -0.079 0.000 0.905 65 Q HN 0.412 nan 8.270 nan 0.000 0.429 66 L N -0.417 120.810 121.223 0.007 0.000 2.102 66 L HA 0.000 4.340 4.340 -0.000 0.000 0.202 66 L C 1.679 178.594 176.870 0.075 0.000 1.076 66 L CA 1.541 56.422 54.840 0.069 0.000 0.761 66 L CB -0.050 42.086 42.059 0.129 0.000 0.921 66 L HN 0.243 nan 8.230 nan 0.000 0.444 67 L N -1.143 120.134 121.223 0.089 0.000 2.556 67 L HA 0.388 4.728 4.340 -0.000 0.000 0.226 67 L C 1.465 178.262 176.870 -0.122 0.000 1.089 67 L CA 0.254 55.079 54.840 -0.024 0.000 0.864 67 L CB -0.659 41.494 42.059 0.157 0.000 1.067 67 L HN 0.480 nan 8.230 nan 0.000 0.477 68 G N 2.165 110.951 108.800 -0.024 0.000 2.574 68 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.282 68 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.282 68 G C 0.272 175.210 174.900 0.063 0.000 1.257 68 G CA 0.498 45.577 45.100 -0.035 0.000 0.956 68 G HN 0.506 nan 8.290 nan 0.000 0.560 69 D N 0.212 120.614 120.400 0.003 0.000 2.349 69 D HA 0.394 5.034 4.640 -0.000 0.000 0.214 69 D C 1.816 178.096 176.300 -0.033 0.000 1.063 69 D CA 1.280 55.303 54.000 0.038 0.000 0.847 69 D CB -0.172 40.649 40.800 0.035 0.000 0.933 69 D HN 2.207 nan 8.370 nan 0.000 0.513 70 G N 0.216 108.936 108.800 -0.133 0.000 2.199 70 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.254 70 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.254 70 G C 1.361 176.208 174.900 -0.088 0.000 0.982 70 G CA 0.841 45.845 45.100 -0.161 0.000 0.632 70 G HN 0.572 nan 8.290 nan 0.000 0.529 71 S N 1.056 116.715 115.700 -0.069 0.000 2.370 71 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 71 S C 1.929 176.539 174.600 0.017 0.000 1.033 71 S CA 1.602 59.793 58.200 -0.014 0.000 1.011 71 S CB -0.413 62.779 63.200 -0.012 0.000 0.852 71 S HN 0.473 nan 8.310 nan 0.000 0.457 72 N N 0.553 119.225 118.700 -0.046 0.000 2.348 72 N HA -0.078 4.662 4.740 -0.000 0.000 0.185 72 N C 0.233 175.909 175.510 0.277 0.000 1.019 72 N CA 1.029 54.103 53.050 0.041 0.000 0.880 72 N CB -0.354 38.106 38.487 -0.045 0.000 0.965 72 N HN 0.643 nan 8.380 nan 0.000 0.437 73 W N -0.005 121.348 121.300 0.089 0.000 3.067 73 W HA 0.466 5.126 4.660 -0.000 0.000 0.417 73 W C 1.155 177.775 176.519 0.169 0.000 1.029 73 W CA -0.493 56.927 57.345 0.124 0.000 1.992 73 W CB -0.919 28.607 29.460 0.110 0.000 1.122 73 W HN 0.055 nan 8.180 nan 0.000 0.681 74 G N 0.988 109.974 108.800 0.309 0.000 2.166 74 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 74 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 74 G C 0.090 175.031 174.900 0.068 0.000 0.986 74 G CA 0.440 45.662 45.100 0.205 0.000 0.683 74 G HN 0.229 nan 8.290 nan 0.000 0.527 75 L N -0.619 120.670 121.223 0.109 0.000 2.365 75 L HA 0.707 5.047 4.340 -0.000 0.000 0.267 75 L C -0.130 176.727 176.870 -0.021 0.000 1.033 75 L CA -1.015 53.835 54.840 0.016 0.000 0.802 75 L CB 1.389 43.527 42.059 0.131 0.000 1.267 75 L HN 0.076 nan 8.230 nan 0.000 0.457 76 D N 1.597 121.974 120.400 -0.038 0.000 2.438 76 D HA 0.381 5.021 4.640 -0.000 0.000 0.257 76 D C -1.041 175.248 176.300 -0.018 0.000 1.148 76 D CA -0.245 53.742 54.000 -0.022 0.000 0.902 76 D CB 0.512 41.300 40.800 -0.020 0.000 1.062 76 D HN 0.254 nan 8.370 nan 0.000 0.518 77 L N 2.433 123.629 121.223 -0.047 0.000 2.312 77 L HA 0.484 4.824 4.340 -0.000 0.000 0.281 77 L C 0.581 177.328 176.870 -0.205 0.000 1.070 77 L CA -0.570 54.177 54.840 -0.154 0.000 0.805 77 L CB 1.468 43.425 42.059 -0.172 0.000 1.174 77 L HN 0.262 nan 8.230 nan 0.000 0.434 78 Q N 1.381 120.948 119.800 -0.389 0.000 2.484 78 Q HA 0.578 4.918 4.340 -0.000 0.000 0.285 78 Q C -1.826 173.763 176.000 -0.686 0.000 1.097 78 Q CA -0.768 54.837 55.803 -0.329 0.000 0.802 78 Q CB 3.064 31.716 28.738 -0.143 0.000 1.444 78 Q HN 0.362 nan 8.270 nan 0.000 0.429 79 Y N -0.602 119.633 120.300 -0.107 0.000 2.512 79 Y HA 0.808 5.358 4.550 -0.000 0.000 0.348 79 Y C -0.516 175.328 175.900 -0.093 0.000 0.990 79 Y CA -0.789 57.251 58.100 -0.100 0.000 1.033 79 Y CB 2.456 40.893 38.460 -0.038 0.000 1.259 79 Y HN 0.661 nan 8.280 nan 0.000 0.461 80 A N 1.117 123.959 122.820 0.037 0.000 2.594 80 A HA 0.778 5.098 4.320 -0.000 0.000 0.295 80 A C -1.907 175.688 177.584 0.019 0.000 1.071 80 A CA -0.730 51.315 52.037 0.012 0.000 0.685 80 A CB 1.073 20.046 19.000 -0.045 0.000 1.285 80 A HN 0.445 nan 8.150 nan 0.000 0.405 81 V N 1.361 121.289 119.914 0.024 0.000 2.539 81 V HA 0.450 4.570 4.120 -0.000 0.000 0.292 81 V C 0.315 176.415 176.094 0.010 0.000 1.045 81 V CA -0.288 62.028 62.300 0.027 0.000 0.945 81 V CB 1.529 33.370 31.823 0.031 0.000 0.993 81 V HN 0.884 nan 8.190 nan 0.000 0.464 82 Q N 5.726 125.533 119.800 0.013 0.000 2.431 82 Q HA 0.314 4.654 4.340 -0.000 0.000 0.249 82 Q C -1.899 174.112 176.000 0.018 0.000 1.025 82 Q CA -1.769 54.038 55.803 0.007 0.000 0.835 82 Q CB 1.839 30.578 28.738 0.001 0.000 1.207 82 Q HN 0.472 nan 8.270 nan 0.000 0.490 83 P HA -0.121 nan 4.420 nan 0.000 0.218 83 P C -0.231 177.082 177.300 0.021 0.000 1.146 83 P CA 0.922 64.033 63.100 0.019 0.000 0.813 83 P CB 0.336 32.045 31.700 0.015 0.000 0.778 84 S N -2.308 113.403 115.700 0.020 0.000 2.537 84 S HA 0.468 4.938 4.470 -0.000 0.000 0.271 84 S C -3.035 171.577 174.600 0.020 0.000 1.148 84 S CA -1.576 56.636 58.200 0.021 0.000 0.868 84 S CB 1.189 64.400 63.200 0.018 0.000 1.115 84 S HN -0.272 nan 8.310 nan 0.000 0.461 85 P HA 0.364 nan 4.420 nan 0.000 0.231 85 P C -0.679 176.633 177.300 0.020 0.000 1.811 85 P CA -0.095 63.018 63.100 0.022 0.000 1.051 85 P CB -0.158 31.557 31.700 0.024 0.000 1.951 86 D N 1.297 121.708 120.400 0.018 0.000 2.342 86 D HA 0.309 4.948 4.640 -0.000 0.000 0.221 86 D C 1.057 177.370 176.300 0.021 0.000 1.101 86 D CA 0.553 54.564 54.000 0.018 0.000 0.837 86 D CB 0.347 41.156 40.800 0.016 0.000 0.938 86 D HN 0.382 nan 8.370 nan 0.000 0.508 87 G N -0.168 108.647 108.800 0.025 0.000 2.379 87 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.609 87 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.609 87 G C 0.471 175.393 174.900 0.037 0.000 1.484 87 G CA -0.871 44.249 45.100 0.032 0.000 0.921 87 G HN 0.090 nan 8.290 nan 0.000 0.658 88 L N 1.051 122.304 121.223 0.051 0.000 2.131 88 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 88 L C 3.221 180.130 176.870 0.065 0.000 1.092 88 L CA 1.952 56.828 54.840 0.059 0.000 0.759 88 L CB -0.615 41.498 42.059 0.089 0.000 0.903 88 L HN 0.857 nan 8.230 nan 0.000 0.435 89 A N -0.457 122.411 122.820 0.081 0.000 2.076 89 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 89 A C 2.233 179.900 177.584 0.139 0.000 1.160 89 A CA 1.365 53.490 52.037 0.147 0.000 0.653 89 A CB -0.460 18.584 19.000 0.073 0.000 0.801 89 A HN 0.482 nan 8.150 nan 0.000 0.455 90 Q N -0.903 118.929 119.800 0.054 0.000 2.291 90 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 90 Q C 2.310 178.293 176.000 -0.028 0.000 0.976 90 Q CA 0.886 56.704 55.803 0.024 0.000 0.875 90 Q CB -0.362 28.381 28.738 0.009 0.000 0.927 90 Q HN 0.745 nan 8.270 nan 0.000 0.450 91 A N 0.159 122.915 122.820 -0.105 0.000 1.948 91 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 91 A C 1.559 178.887 177.584 -0.426 0.000 1.177 91 A CA 1.348 53.198 52.037 -0.313 0.000 0.636 91 A CB -0.728 17.983 19.000 -0.482 0.000 0.815 91 A HN 0.388 nan 8.150 nan 0.000 0.449 92 F N -0.375 119.560 119.950 -0.024 0.000 2.456 92 F HA 0.075 4.602 4.527 -0.000 0.000 0.298 92 F C 1.974 177.767 175.800 -0.012 0.000 1.104 92 F CA 0.580 58.565 58.000 -0.025 0.000 1.435 92 F CB -0.157 38.794 39.000 -0.083 0.000 1.078 92 F HN 0.110 nan 8.300 nan 0.000 0.546 93 L N -0.470 120.813 121.223 0.100 0.000 2.034 93 L HA -0.109 4.231 4.340 -0.000 0.000 0.203 93 L C 2.306 179.195 176.870 0.031 0.000 1.074 93 L CA 1.173 56.049 54.840 0.061 0.000 0.748 93 L CB -0.823 41.262 42.059 0.042 0.000 0.905 93 L HN 0.041 nan 8.230 nan 0.000 0.439 94 I N 0.652 121.221 120.570 -0.002 0.000 2.248 94 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 94 I C 2.207 178.317 176.117 -0.011 0.000 1.107 94 I CA 1.640 62.930 61.300 -0.016 0.000 1.373 94 I CB -0.568 37.406 38.000 -0.044 0.000 1.055 94 I HN 0.312 nan 8.210 nan 0.000 0.418 95 G N -0.544 108.241 108.800 -0.024 0.000 3.042 95 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.212 95 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.212 95 G C 1.258 176.243 174.900 0.141 0.000 1.166 95 G CA 0.017 45.135 45.100 0.030 0.000 0.767 95 G HN 0.413 nan 8.290 nan 0.000 0.546 96 E N 1.507 121.770 120.200 0.105 0.000 2.048 96 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 96 E C 2.660 179.321 176.600 0.102 0.000 1.021 96 E CA 2.086 58.551 56.400 0.108 0.000 0.825 96 E CB -0.165 29.580 29.700 0.075 0.000 0.756 96 E HN 0.469 nan 8.360 nan 0.000 0.454 97 S N -0.436 115.320 115.700 0.094 0.000 2.406 97 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 97 S C 1.947 176.610 174.600 0.106 0.000 1.020 97 S CA 0.809 59.055 58.200 0.077 0.000 0.965 97 S CB -0.619 62.618 63.200 0.062 0.000 0.798 97 S HN 0.473 nan 8.310 nan 0.000 0.488 98 F N 2.306 122.255 119.950 -0.002 0.000 2.126 98 F HA 0.052 4.579 4.527 -0.000 0.000 0.299 98 F C 1.812 177.613 175.800 0.002 0.000 1.096 98 F CA 1.265 59.259 58.000 -0.010 0.000 1.255 98 F CB -0.374 38.608 39.000 -0.030 0.000 0.997 98 F HN 0.193 nan 8.300 nan 0.000 0.479 99 I N -0.082 120.472 120.570 -0.026 0.000 2.353 99 I HA -0.034 4.136 4.170 -0.000 0.000 0.248 99 I C 2.125 178.173 176.117 -0.115 0.000 1.119 99 I CA 0.836 62.064 61.300 -0.121 0.000 1.417 99 I CB -1.201 36.853 38.000 0.091 0.000 1.078 99 I HN 0.453 nan 8.210 nan 0.000 0.421 100 G N 1.416 110.188 108.800 -0.047 0.000 2.651 100 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.315 100 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.315 100 G C 0.466 175.355 174.900 -0.019 0.000 1.258 100 G CA 0.667 45.746 45.100 -0.035 0.000 1.002 100 G HN 0.363 nan 8.290 nan 0.000 0.551 101 N N 2.523 121.207 118.700 -0.027 0.000 2.320 101 N HA 0.250 4.990 4.740 -0.000 0.000 0.237 101 N C -0.400 175.104 175.510 -0.010 0.000 1.129 101 N CA 0.234 53.277 53.050 -0.011 0.000 0.854 101 N CB 0.173 38.653 38.487 -0.012 0.000 1.083 101 N HN 0.470 nan 8.380 nan 0.000 0.504 102 D N -0.003 120.383 120.400 -0.022 0.000 2.385 102 D HA 0.286 4.926 4.640 -0.000 0.000 0.254 102 D C 0.737 177.056 176.300 0.032 0.000 1.053 102 D CA -0.476 53.515 54.000 -0.014 0.000 0.992 102 D CB 1.972 42.734 40.800 -0.064 0.000 1.145 102 D HN -0.063 nan 8.370 nan 0.000 0.523 103 L N 0.646 121.898 121.223 0.048 0.000 2.467 103 L HA 0.152 4.492 4.340 -0.000 0.000 0.270 103 L C 0.930 177.868 176.870 0.114 0.000 1.205 103 L CA 0.290 55.187 54.840 0.095 0.000 0.828 103 L CB 0.378 42.492 42.059 0.091 0.000 1.101 103 L HN 0.436 nan 8.230 nan 0.000 0.479 104 S N 0.550 116.360 115.700 0.182 0.000 2.651 104 S HA 0.932 5.402 4.470 -0.000 0.000 0.279 104 S C -0.952 173.758 174.600 0.182 0.000 1.148 104 S CA -0.643 57.682 58.200 0.208 0.000 0.837 104 S CB 2.215 65.611 63.200 0.327 0.000 1.138 104 S HN 0.815 nan 8.310 nan 0.000 0.478 105 A N 0.343 123.225 122.820 0.103 0.000 2.486 105 A HA 0.804 5.124 4.320 -0.000 0.000 0.300 105 A C -1.603 176.000 177.584 0.030 0.000 1.048 105 A CA -0.676 51.279 52.037 -0.137 0.000 0.696 105 A CB 1.560 20.246 19.000 -0.523 0.000 1.278 105 A HN 1.371 nan 8.150 nan 0.000 0.405 106 L N 2.267 123.554 121.223 0.107 0.000 2.362 106 L HA 0.864 5.204 4.340 -0.000 0.000 0.275 106 L C -1.277 175.691 176.870 0.163 0.000 0.998 106 L CA -0.620 54.336 54.840 0.194 0.000 0.820 106 L CB 1.793 44.110 42.059 0.431 0.000 1.270 106 L HN 0.851 nan 8.230 nan 0.000 0.415 107 V N 6.125 126.106 119.914 0.112 0.000 2.709 107 V HA 0.525 4.645 4.120 -0.000 0.000 0.308 107 V C -0.626 175.562 176.094 0.157 0.000 1.062 107 V CA -0.692 61.685 62.300 0.128 0.000 0.901 107 V CB 2.092 33.982 31.823 0.111 0.000 1.003 107 V HN 0.774 nan 8.190 nan 0.000 0.425 108 L N 5.510 126.853 121.223 0.201 0.000 2.397 108 L HA 0.375 4.715 4.340 -0.000 0.000 0.271 108 L C 1.790 178.748 176.870 0.148 0.000 1.148 108 L CA 0.500 55.447 54.840 0.179 0.000 0.825 108 L CB 1.013 43.201 42.059 0.216 0.000 1.117 108 L HN 0.836 nan 8.230 nan 0.000 0.456 109 G N 0.924 109.786 108.800 0.103 0.000 2.509 109 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 109 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 109 G C 0.720 175.688 174.900 0.114 0.000 1.124 109 G CA 0.523 45.682 45.100 0.098 0.000 0.776 109 G HN 0.858 nan 8.290 nan 0.000 0.547 110 D N -0.788 119.667 120.400 0.091 0.000 2.424 110 D HA 0.044 4.684 4.640 -0.000 0.000 0.220 110 D C 0.117 176.413 176.300 -0.007 0.000 1.150 110 D CA -0.558 53.470 54.000 0.046 0.000 0.831 110 D CB -0.668 40.144 40.800 0.020 0.000 0.981 110 D HN 0.154 nan 8.370 nan 0.000 0.500 111 N N 0.572 119.300 118.700 0.046 0.000 2.473 111 N HA 0.444 5.184 4.740 -0.000 0.000 0.291 111 N C -1.153 174.331 175.510 -0.044 0.000 1.083 111 N CA -0.582 52.452 53.050 -0.028 0.000 0.951 111 N CB 2.099 40.674 38.487 0.146 0.000 1.164 111 N HN 0.086 nan 8.380 nan 0.000 0.480 112 L N 3.281 124.340 121.223 -0.272 0.000 2.441 112 L HA 0.434 4.774 4.340 -0.000 0.000 0.270 112 L C -1.656 175.029 176.870 -0.309 0.000 0.973 112 L CA -0.653 54.082 54.840 -0.176 0.000 0.842 112 L CB 0.881 42.755 42.059 -0.308 0.000 1.239 112 L HN 0.537 nan 8.230 nan 0.000 0.406 113 Y N 3.757 124.067 120.300 0.017 0.000 2.487 113 Y HA 0.615 5.165 4.550 -0.000 0.000 0.337 113 Y C -0.912 174.927 175.900 -0.102 0.000 1.076 113 Y CA -0.506 57.484 58.100 -0.183 0.000 1.115 113 Y CB 1.954 40.049 38.460 -0.609 0.000 1.235 113 Y HN 0.449 nan 8.280 nan 0.000 0.468 114 Y N 0.095 120.323 120.300 -0.120 0.000 2.480 114 Y HA 0.669 5.219 4.550 -0.000 0.000 0.329 114 Y C -0.506 175.477 175.900 0.140 0.000 1.127 114 Y CA -0.798 57.314 58.100 0.021 0.000 1.037 114 Y CB 2.143 40.730 38.460 0.212 0.000 1.320 114 Y HN 0.768 nan 8.280 nan 0.000 0.446 115 G N 2.507 111.035 108.800 -0.453 0.000 2.361 115 G HA2 0.252 4.212 3.960 -0.000 0.000 0.299 115 G HA3 0.252 4.212 3.960 -0.000 0.000 0.299 115 G C -2.251 172.640 174.900 -0.014 0.000 1.544 115 G CA -1.163 43.886 45.100 -0.085 0.000 0.860 115 G HN 0.941 nan 8.290 nan 0.000 0.610 116 H N 0.412 119.390 119.070 -0.152 0.000 3.004 116 H HA 0.404 4.960 4.556 -0.000 0.000 0.316 116 H C 0.801 176.147 175.328 0.030 0.000 1.014 116 H CA 1.971 57.971 56.048 -0.080 0.000 1.454 116 H CB 0.673 30.374 29.762 -0.102 0.000 1.472 116 H HN 0.695 nan 8.280 nan 0.000 0.571 117 D N 2.649 122.796 120.400 -0.423 0.000 3.090 117 D HA -0.264 4.376 4.640 -0.000 0.000 0.215 117 D C 0.607 176.996 176.300 0.148 0.000 1.140 117 D CA 1.008 54.872 54.000 -0.227 0.000 0.937 117 D CB -1.713 38.923 40.800 -0.273 0.000 1.108 117 D HN 0.516 nan 8.370 nan 0.000 0.420 118 F N 0.384 120.407 119.950 0.121 0.000 2.216 118 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 118 F C 2.097 177.911 175.800 0.023 0.000 1.085 118 F CA 2.281 60.350 58.000 0.116 0.000 1.326 118 F CB -0.356 38.691 39.000 0.079 0.000 1.027 118 F HN 0.435 nan 8.300 nan 0.000 0.497 119 H N -1.338 117.596 119.070 -0.226 0.000 2.529 119 H HA 0.026 4.582 4.556 -0.000 0.000 0.277 119 H C 1.654 176.831 175.328 -0.252 0.000 0.999 119 H CA 1.209 57.069 56.048 -0.314 0.000 1.256 119 H CB 0.057 29.715 29.762 -0.174 0.000 1.402 119 H HN 0.220 nan 8.280 nan 0.000 0.566 120 E N 0.612 120.796 120.200 -0.027 0.000 2.107 120 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 120 E C 2.033 178.529 176.600 -0.173 0.000 0.982 120 E CA 0.702 57.038 56.400 -0.108 0.000 0.809 120 E CB -0.119 29.564 29.700 -0.028 0.000 0.756 120 E HN 0.405 nan 8.360 nan 0.000 0.459 121 L N 0.309 121.425 121.223 -0.179 0.000 2.046 121 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 121 L C 1.831 178.515 176.870 -0.310 0.000 1.077 121 L CA 1.568 56.289 54.840 -0.198 0.000 0.747 121 L CB -0.372 41.535 42.059 -0.254 0.000 0.896 121 L HN 0.150 nan 8.230 nan 0.000 0.432 122 L N -0.765 120.153 121.223 -0.508 0.000 2.017 122 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 122 L C 2.549 179.188 176.870 -0.386 0.000 1.073 122 L CA 1.360 55.911 54.840 -0.481 0.000 0.745 122 L CB -1.471 40.267 42.059 -0.535 0.000 0.894 122 L HN 0.464 nan 8.230 nan 0.000 0.432 123 G N -0.834 107.754 108.800 -0.353 0.000 2.446 123 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 123 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 123 G C 1.716 176.469 174.900 -0.245 0.000 1.168 123 G CA 0.978 45.906 45.100 -0.288 0.000 0.771 123 G HN 0.363 nan 8.290 nan 0.000 0.551 124 S N 1.054 116.619 115.700 -0.225 0.000 2.365 124 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 124 S C 2.718 177.164 174.600 -0.257 0.000 1.039 124 S CA 1.511 59.598 58.200 -0.188 0.000 1.033 124 S CB -0.389 62.728 63.200 -0.138 0.000 0.887 124 S HN 0.619 nan 8.310 nan 0.000 0.447 125 A N 0.360 122.945 122.820 -0.392 0.000 1.930 125 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 125 A C 2.204 179.404 177.584 -0.640 0.000 1.176 125 A CA 1.357 53.035 52.037 -0.599 0.000 0.632 125 A CB -0.793 17.666 19.000 -0.902 0.000 0.819 125 A HN 0.420 nan 8.150 nan 0.000 0.445 126 S N -0.745 114.597 115.700 -0.598 0.000 2.469 126 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 126 S C 1.856 176.409 174.600 -0.078 0.000 0.998 126 S CA 1.420 59.513 58.200 -0.178 0.000 0.957 126 S CB -0.241 62.948 63.200 -0.019 0.000 0.764 126 S HN 0.695 nan 8.310 nan 0.000 0.514 127 Q N -0.076 119.644 119.800 -0.132 0.000 2.384 127 Q HA 0.205 4.545 4.340 -0.000 0.000 0.207 127 Q C 0.209 176.168 176.000 -0.068 0.000 0.904 127 Q CA -0.058 55.699 55.803 -0.077 0.000 0.933 127 Q CB 0.363 29.053 28.738 -0.081 0.000 1.077 127 Q HN 0.319 nan 8.270 nan 0.000 0.522 128 R N 1.240 121.682 120.500 -0.097 0.000 2.640 128 R HA -0.020 4.320 4.340 -0.000 0.000 0.270 128 R C 0.250 176.532 176.300 -0.030 0.000 1.024 128 R CA 0.669 56.727 56.100 -0.071 0.000 1.085 128 R CB 0.281 30.522 30.300 -0.098 0.000 0.963 128 R HN 0.294 nan 8.270 nan 0.000 0.426 129 Q N 0.440 120.232 119.800 -0.013 0.000 2.201 129 Q HA 0.125 4.465 4.340 -0.000 0.000 0.236 129 Q C -0.292 175.722 176.000 0.023 0.000 0.857 129 Q CA 0.030 55.839 55.803 0.009 0.000 1.025 129 Q CB 1.346 30.088 28.738 0.006 0.000 1.124 129 Q HN 0.468 nan 8.270 nan 0.000 0.473 130 T N -1.198 113.367 114.554 0.020 0.000 2.885 130 T HA 0.559 4.909 4.350 -0.000 0.000 0.322 130 T C -0.286 174.440 174.700 0.044 0.000 1.387 130 T CA 0.402 62.527 62.100 0.042 0.000 1.041 130 T CB 1.356 70.241 68.868 0.028 0.000 1.287 130 T HN 0.500 nan 8.240 nan 0.000 0.491 131 G N 1.531 110.400 108.800 0.116 0.000 2.645 131 G HA2 0.351 4.311 3.960 -0.000 0.000 0.246 131 G HA3 0.351 4.311 3.960 -0.000 0.000 0.246 131 G C -0.131 174.710 174.900 -0.098 0.000 1.322 131 G CA -0.116 45.059 45.100 0.125 0.000 0.898 131 G HN 1.671 nan 8.290 nan 0.000 0.573 132 A N -1.123 121.488 122.820 -0.348 0.000 2.401 132 A HA 0.912 5.232 4.320 -0.000 0.000 0.310 132 A C -0.072 177.285 177.584 -0.378 0.000 1.075 132 A CA 0.654 52.349 52.037 -0.570 0.000 0.746 132 A CB 1.851 20.162 19.000 -1.148 0.000 1.277 132 A HN 1.906 nan 8.150 nan 0.000 0.425 133 S N 0.009 115.496 115.700 -0.355 0.000 2.521 133 S HA 0.744 5.214 4.470 -0.000 0.000 0.295 133 S C -0.238 174.135 174.600 -0.377 0.000 1.098 133 S CA -0.345 57.638 58.200 -0.360 0.000 0.999 133 S CB 1.455 64.406 63.200 -0.413 0.000 1.034 133 S HN 1.754 nan 8.310 nan 0.000 0.483 134 V N -0.416 119.219 119.914 -0.465 0.000 3.167 134 V HA 0.837 4.957 4.120 -0.000 0.000 0.310 134 V C -1.749 173.938 176.094 -0.679 0.000 1.207 134 V CA -1.124 60.922 62.300 -0.422 0.000 1.059 134 V CB 1.418 33.186 31.823 -0.091 0.000 1.079 134 V HN 0.706 nan 8.190 nan 0.000 0.446 135 F N 0.575 120.465 119.950 -0.099 0.000 2.520 135 F HA 0.893 5.420 4.527 -0.000 0.000 0.322 135 F C 0.450 176.217 175.800 -0.055 0.000 1.103 135 F CA -0.318 57.628 58.000 -0.090 0.000 0.926 135 F CB 2.199 41.098 39.000 -0.168 0.000 1.154 135 F HN 0.903 nan 8.300 nan 0.000 0.453 136 A N 2.989 125.949 122.820 0.234 0.000 2.318 136 A HA 0.699 5.019 4.320 -0.000 0.000 0.324 136 A C -2.127 175.744 177.584 0.478 0.000 1.170 136 A CA -0.587 51.637 52.037 0.311 0.000 0.810 136 A CB 0.700 19.933 19.000 0.389 0.000 1.198 136 A HN 0.750 nan 8.150 nan 0.000 0.484 137 Y N 2.497 122.956 120.300 0.265 0.000 2.373 137 Y HA 0.321 4.871 4.550 -0.000 0.000 0.336 137 Y C 0.073 176.053 175.900 0.134 0.000 0.979 137 Y CA -0.557 57.691 58.100 0.246 0.000 1.080 137 Y CB 1.150 39.666 38.460 0.093 0.000 1.190 137 Y HN 0.826 nan 8.280 nan 0.000 0.446 138 H N 5.797 124.661 119.070 -0.342 0.000 3.004 138 H HA 0.435 4.991 4.556 -0.000 0.000 0.316 138 H C -0.859 174.312 175.328 -0.262 0.000 1.014 138 H CA 1.025 56.698 56.048 -0.625 0.000 1.454 138 H CB 0.381 29.766 29.762 -0.628 0.000 1.472 138 H HN 0.618 nan 8.280 nan 0.000 0.571 139 V N 3.225 122.982 119.914 -0.262 0.000 3.159 139 V HA 0.163 4.283 4.120 -0.000 0.000 0.308 139 V C 0.615 176.690 176.094 -0.032 0.000 1.190 139 V CA -1.022 61.303 62.300 0.043 0.000 1.037 139 V CB 1.659 33.607 31.823 0.208 0.000 1.060 139 V HN 0.583 nan 8.190 nan 0.000 0.437 140 L N 0.527 121.786 121.223 0.060 0.000 2.093 140 L HA 0.261 4.601 4.340 -0.000 0.000 0.208 140 L C 0.986 177.878 176.870 0.037 0.000 1.085 140 L CA 1.948 56.815 54.840 0.044 0.000 0.755 140 L CB -0.415 41.674 42.059 0.051 0.000 0.904 140 L HN 0.884 nan 8.230 nan 0.000 0.435 141 D N -0.187 120.260 120.400 0.078 0.000 2.795 141 D HA 0.196 4.836 4.640 -0.000 0.000 0.335 141 D C -1.743 174.642 176.300 0.141 0.000 1.262 141 D CA -1.075 52.969 54.000 0.075 0.000 0.885 141 D CB 0.641 41.466 40.800 0.042 0.000 1.047 141 D HN 0.218 nan 8.370 nan 0.000 0.500 142 P HA -0.219 nan 4.420 nan 0.000 0.218 142 P C 1.386 178.787 177.300 0.169 0.000 1.146 142 P CA 1.108 64.332 63.100 0.207 0.000 0.813 142 P CB 0.341 32.098 31.700 0.094 0.000 0.778 143 E N 1.124 121.366 120.200 0.071 0.000 2.331 143 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 143 E C 1.585 178.160 176.600 -0.042 0.000 1.008 143 E CA 0.990 57.403 56.400 0.022 0.000 0.843 143 E CB -0.755 28.947 29.700 0.003 0.000 0.761 143 E HN 0.318 nan 8.360 nan 0.000 0.507 144 R N -0.696 119.719 120.500 -0.141 0.000 2.310 144 R HA 0.172 4.512 4.340 -0.000 0.000 0.202 144 R C -0.029 175.904 176.300 -0.611 0.000 0.933 144 R CA 0.289 56.142 56.100 -0.412 0.000 1.054 144 R CB 0.162 30.086 30.300 -0.626 0.000 0.985 144 R HN 0.195 nan 8.270 nan 0.000 0.489 145 Y N -2.070 118.290 120.300 0.100 0.000 2.876 145 Y HA 0.443 4.993 4.550 -0.000 0.000 0.317 145 Y C 0.807 176.780 175.900 0.121 0.000 1.369 145 Y CA -1.507 56.679 58.100 0.143 0.000 1.101 145 Y CB 0.513 39.106 38.460 0.223 0.000 1.346 145 Y HN -0.164 nan 8.280 nan 0.000 0.505 146 G N 0.766 109.780 108.800 0.356 0.000 2.364 146 G HA2 0.462 4.422 3.960 -0.000 0.000 0.267 146 G HA3 0.462 4.422 3.960 -0.000 0.000 0.267 146 G C -1.221 173.801 174.900 0.203 0.000 1.233 146 G CA -0.139 45.094 45.100 0.222 0.000 0.885 146 G HN 0.298 nan 8.290 nan 0.000 0.490 147 V N 2.811 122.806 119.914 0.136 0.000 2.581 147 V HA 0.535 4.655 4.120 -0.000 0.000 0.303 147 V C -0.051 176.064 176.094 0.036 0.000 1.041 147 V CA -0.834 61.532 62.300 0.111 0.000 0.907 147 V CB 1.738 33.620 31.823 0.098 0.000 0.994 147 V HN 0.584 nan 8.190 nan 0.000 0.442 148 V N 4.423 124.332 119.914 -0.008 0.000 2.495 148 V HA 0.575 4.695 4.120 -0.000 0.000 0.298 148 V C -0.291 175.622 176.094 -0.303 0.000 1.031 148 V CA -0.273 61.912 62.300 -0.192 0.000 0.871 148 V CB 1.677 33.319 31.823 -0.302 0.000 0.988 148 V HN 1.033 nan 8.190 nan 0.000 0.432 149 E N 5.139 125.157 120.200 -0.303 0.000 2.231 149 E HA 0.494 4.844 4.350 -0.000 0.000 0.277 149 E C -1.627 174.754 176.600 -0.365 0.000 0.999 149 E CA -0.530 55.745 56.400 -0.209 0.000 0.827 149 E CB 1.286 30.947 29.700 -0.064 0.000 1.101 149 E HN 0.635 nan 8.360 nan 0.000 0.393 150 F N 2.102 122.059 119.950 0.012 0.000 2.538 150 F HA 0.223 4.750 4.527 -0.000 0.000 0.325 150 F C 0.494 176.294 175.800 0.001 0.000 1.066 150 F CA -0.924 57.068 58.000 -0.015 0.000 0.946 150 F CB 1.132 40.099 39.000 -0.056 0.000 1.199 150 F HN 0.455 nan 8.300 nan 0.000 0.473 151 D N -0.024 120.493 120.400 0.195 0.000 2.451 151 D HA 0.101 4.741 4.640 -0.000 0.000 0.259 151 D C 0.542 176.901 176.300 0.097 0.000 1.201 151 D CA -0.423 53.645 54.000 0.114 0.000 1.028 151 D CB 0.433 41.276 40.800 0.072 0.000 1.095 151 D HN 0.604 nan 8.370 nan 0.000 0.539 152 Q N -0.432 119.404 119.800 0.060 0.000 2.226 152 Q HA -0.034 4.306 4.340 -0.000 0.000 0.204 152 Q C 1.839 177.850 176.000 0.018 0.000 0.975 152 Q CA 1.333 57.159 55.803 0.037 0.000 0.866 152 Q CB -0.296 28.460 28.738 0.030 0.000 0.915 152 Q HN 0.759 nan 8.270 nan 0.000 0.440 153 G N -0.196 108.617 108.800 0.023 0.000 2.848 153 G HA2 0.121 4.080 3.960 -0.000 0.000 0.208 153 G HA3 0.121 4.080 3.960 -0.000 0.000 0.208 153 G C 0.932 175.828 174.900 -0.008 0.000 1.152 153 G CA 0.358 45.462 45.100 0.007 0.000 0.789 153 G HN 0.475 nan 8.290 nan 0.000 0.531 154 G N -0.201 108.596 108.800 -0.004 0.000 2.148 154 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 154 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 154 G C 0.364 175.298 174.900 0.056 0.000 0.981 154 G CA 0.589 45.636 45.100 -0.089 0.000 0.670 154 G HN 0.840 nan 8.290 nan 0.000 0.528 155 K N 0.649 121.137 120.400 0.146 0.000 2.234 155 K HA 0.711 5.031 4.320 -0.000 0.000 0.282 155 K C 0.770 177.527 176.600 0.261 0.000 1.039 155 K CA -0.078 56.320 56.287 0.185 0.000 0.928 155 K CB 0.863 33.415 32.500 0.087 0.000 1.039 155 K HN 0.718 nan 8.250 nan 0.000 0.470 156 A N 5.208 128.162 122.820 0.222 0.000 2.524 156 A HA 0.176 4.496 4.320 -0.000 0.000 0.250 156 A C 0.794 178.343 177.584 -0.059 0.000 1.078 156 A CA -0.100 51.896 52.037 -0.068 0.000 0.761 156 A CB -0.634 18.299 19.000 -0.112 0.000 1.012 156 A HN 0.943 nan 8.150 nan 0.000 0.500 157 I N 0.268 120.780 120.570 -0.097 0.000 4.557 157 I HA 0.333 4.503 4.170 -0.000 0.000 0.333 157 I C 0.278 176.366 176.117 -0.049 0.000 1.332 157 I CA 0.374 61.648 61.300 -0.043 0.000 1.240 157 I CB 0.133 38.128 38.000 -0.009 0.000 1.312 157 I HN 0.556 nan 8.210 nan 0.000 0.457 158 S N 1.056 116.705 115.700 -0.084 0.000 2.565 158 S HA 0.755 5.225 4.470 -0.000 0.000 0.269 158 S C -1.394 173.163 174.600 -0.073 0.000 1.153 158 S CA -0.663 57.502 58.200 -0.057 0.000 0.835 158 S CB 2.191 65.372 63.200 -0.032 0.000 1.122 158 S HN 0.237 nan 8.310 nan 0.000 0.462 159 L N 1.492 122.695 121.223 -0.033 0.000 2.438 159 L HA 0.636 4.976 4.340 -0.000 0.000 0.270 159 L C -0.828 176.048 176.870 0.011 0.000 0.972 159 L CA -0.419 54.412 54.840 -0.015 0.000 0.831 159 L CB 2.131 44.189 42.059 -0.000 0.000 1.273 159 L HN 0.794 nan 8.230 nan 0.000 0.405 160 E N 1.911 122.126 120.200 0.026 0.000 2.272 160 E HA 0.334 4.684 4.350 -0.000 0.000 0.269 160 E C -1.342 175.293 176.600 0.058 0.000 0.877 160 E CA -0.914 55.508 56.400 0.036 0.000 0.755 160 E CB 3.183 32.901 29.700 0.031 0.000 1.192 160 E HN 0.329 nan 8.360 nan 0.000 0.422 161 E N 2.517 122.751 120.200 0.056 0.000 2.167 161 E HA 0.095 4.445 4.350 -0.000 0.000 0.284 161 E C -0.952 175.680 176.600 0.053 0.000 1.016 161 E CA -0.267 56.174 56.400 0.069 0.000 0.817 161 E CB 0.379 30.115 29.700 0.061 0.000 1.080 161 E HN 0.408 nan 8.360 nan 0.000 0.397 162 K N 3.604 124.039 120.400 0.057 0.000 3.278 162 K HA -0.140 4.180 4.320 -0.000 0.000 0.270 162 K C -2.196 174.417 176.600 0.022 0.000 0.955 162 K CA 0.598 56.901 56.287 0.026 0.000 0.723 162 K CB -1.190 31.311 32.500 0.002 0.000 1.382 162 K HN 0.542 nan 8.250 nan 0.000 0.461 163 P HA -0.020 nan 4.420 nan 0.000 0.276 163 P C 1.012 178.323 177.300 0.018 0.000 1.230 163 P CA -0.118 62.997 63.100 0.025 0.000 0.776 163 P CB 0.804 32.524 31.700 0.033 0.000 0.888 164 L N 1.491 122.722 121.223 0.013 0.000 2.079 164 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 164 L C 1.058 177.937 176.870 0.014 0.000 1.081 164 L CA 1.691 56.537 54.840 0.010 0.000 0.752 164 L CB -0.364 41.700 42.059 0.008 0.000 0.896 164 L HN 0.471 nan 8.230 nan 0.000 0.433 165 E N 0.092 120.303 120.200 0.019 0.000 2.683 165 E HA 0.245 4.595 4.350 -0.000 0.000 0.224 165 E C -2.275 174.342 176.600 0.028 0.000 1.046 165 E CA -1.917 54.496 56.400 0.022 0.000 0.811 165 E CB 0.835 30.547 29.700 0.020 0.000 1.296 165 E HN 0.070 nan 8.360 nan 0.000 0.421 166 P HA -0.056 nan 4.420 nan 0.000 0.264 166 P C 0.139 177.466 177.300 0.045 0.000 1.183 166 P CA 0.198 63.324 63.100 0.043 0.000 0.763 166 P CB 0.779 32.507 31.700 0.046 0.000 0.807 167 K N 0.509 120.938 120.400 0.048 0.000 2.459 167 K HA 0.096 4.416 4.320 -0.000 0.000 0.193 167 K C 0.852 177.500 176.600 0.080 0.000 1.030 167 K CA 0.361 56.680 56.287 0.053 0.000 1.026 167 K CB 0.170 32.693 32.500 0.038 0.000 0.809 167 K HN 0.655 nan 8.250 nan 0.000 0.504 168 S N -1.555 114.201 115.700 0.093 0.000 2.672 168 S HA 0.255 4.725 4.470 -0.000 0.000 0.271 168 S C -0.564 174.084 174.600 0.079 0.000 1.171 168 S CA -1.034 57.251 58.200 0.141 0.000 0.817 168 S CB 0.723 64.083 63.200 0.267 0.000 1.150 168 S HN -0.055 nan 8.310 nan 0.000 0.478 169 N N -0.203 118.499 118.700 0.004 0.000 2.268 169 N HA 0.197 4.937 4.740 -0.000 0.000 0.204 169 N C -1.258 174.035 175.510 -0.361 0.000 1.124 169 N CA 0.257 53.144 53.050 -0.271 0.000 0.838 169 N CB -0.105 38.015 38.487 -0.612 0.000 0.994 169 N HN 0.532 nan 8.380 nan 0.000 0.489 170 Y N 0.997 121.317 120.300 0.034 0.000 2.367 170 Y HA 0.429 4.979 4.550 -0.000 0.000 0.342 170 Y C 0.520 176.483 175.900 0.106 0.000 0.979 170 Y CA -0.806 57.363 58.100 0.115 0.000 1.161 170 Y CB 0.985 39.618 38.460 0.288 0.000 1.155 170 Y HN -0.078 nan 8.280 nan 0.000 0.503 171 A N 3.362 126.307 122.820 0.209 0.000 2.306 171 A HA 0.638 4.958 4.320 -0.000 0.000 0.314 171 A C -0.682 176.938 177.584 0.060 0.000 1.164 171 A CA -0.698 51.434 52.037 0.158 0.000 0.822 171 A CB 0.543 19.617 19.000 0.123 0.000 1.130 171 A HN 0.537 nan 8.150 nan 0.000 0.496 172 V N 2.937 122.886 119.914 0.058 0.000 2.488 172 V HA 0.297 4.417 4.120 -0.000 0.000 0.277 172 V C 1.282 177.267 176.094 -0.181 0.000 1.046 172 V CA 0.355 62.660 62.300 0.007 0.000 0.986 172 V CB 0.699 32.598 31.823 0.126 0.000 0.989 172 V HN 1.147 nan 8.190 nan 0.000 0.475 173 T N 2.098 116.381 114.554 -0.451 0.000 2.771 173 T HA 0.359 4.709 4.350 -0.000 0.000 0.290 173 T C 0.909 175.388 174.700 -0.368 0.000 1.005 173 T CA 0.037 61.614 62.100 -0.872 0.000 0.944 173 T CB 1.092 69.056 68.868 -1.506 0.000 1.147 173 T HN 0.810 nan 8.240 nan 0.000 0.534 174 G N 0.320 109.042 108.800 -0.130 0.000 3.943 174 G HA2 0.473 4.432 3.960 -0.000 0.000 0.275 174 G HA3 0.473 4.432 3.960 -0.000 0.000 0.275 174 G C -0.737 173.993 174.900 -0.284 0.000 1.234 174 G CA -0.306 44.734 45.100 -0.100 0.000 1.522 174 G HN 0.589 nan 8.290 nan 0.000 0.636 175 L N 0.705 121.513 121.223 -0.691 0.000 2.439 175 L HA 0.707 5.047 4.340 -0.000 0.000 0.270 175 L C -1.834 174.687 176.870 -0.582 0.000 0.972 175 L CA -1.854 52.738 54.840 -0.413 0.000 0.836 175 L CB 1.248 43.205 42.059 -0.169 0.000 1.255 175 L HN 0.214 nan 8.230 nan 0.000 0.404 176 Y N 4.568 124.834 120.300 -0.056 0.000 2.457 176 Y HA 0.634 5.184 4.550 -0.000 0.000 0.343 176 Y C -1.017 174.574 175.900 -0.515 0.000 0.994 176 Y CA -0.657 57.321 58.100 -0.204 0.000 1.031 176 Y CB 1.992 40.405 38.460 -0.080 0.000 1.246 176 Y HN 0.380 nan 8.280 nan 0.000 0.449 177 F N 2.637 122.360 119.950 -0.378 0.000 2.467 177 F HA 0.582 5.109 4.527 -0.000 0.000 0.336 177 F C -0.838 174.624 175.800 -0.562 0.000 1.123 177 F CA -1.250 56.566 58.000 -0.306 0.000 0.964 177 F CB 1.015 39.898 39.000 -0.195 0.000 1.136 177 F HN 0.363 nan 8.300 nan 0.000 0.447 178 Y N 1.277 121.623 120.300 0.078 0.000 2.536 178 Y HA 0.373 4.923 4.550 -0.000 0.000 0.347 178 Y C -0.072 175.860 175.900 0.054 0.000 1.000 178 Y CA -1.231 56.856 58.100 -0.021 0.000 1.051 178 Y CB 1.689 40.108 38.460 -0.068 0.000 1.259 178 Y HN 0.589 nan 8.280 nan 0.000 0.468 179 D N -0.495 120.056 120.400 0.251 0.000 2.560 179 D HA 0.115 4.755 4.640 -0.000 0.000 0.277 179 D C 0.064 176.465 176.300 0.168 0.000 1.194 179 D CA -0.478 53.630 54.000 0.180 0.000 1.092 179 D CB 0.420 41.319 40.800 0.164 0.000 1.169 179 D HN 0.605 nan 8.370 nan 0.000 0.607 180 Q N -1.147 118.718 119.800 0.109 0.000 2.466 180 Q HA 0.018 4.358 4.340 -0.000 0.000 0.210 180 Q C 1.446 177.466 176.000 0.033 0.000 0.961 180 Q CA 0.441 56.283 55.803 0.065 0.000 0.953 180 Q CB 0.056 28.817 28.738 0.038 0.000 1.011 180 Q HN 0.435 nan 8.270 nan 0.000 0.516 181 Q N -0.613 119.215 119.800 0.047 0.000 2.398 181 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 181 Q C 2.009 177.938 176.000 -0.118 0.000 0.932 181 Q CA 0.414 56.184 55.803 -0.056 0.000 0.916 181 Q CB 0.278 28.933 28.738 -0.138 0.000 1.024 181 Q HN 0.221 nan 8.270 nan 0.000 0.504 182 V N 0.200 120.060 119.914 -0.089 0.000 2.358 182 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 182 V C 2.054 177.962 176.094 -0.311 0.000 1.047 182 V CA 1.319 63.418 62.300 -0.335 0.000 1.035 182 V CB -0.063 31.309 31.823 -0.751 0.000 0.658 182 V HN 0.164 nan 8.190 nan 0.000 0.452 183 V N 0.528 120.362 119.914 -0.134 0.000 2.287 183 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 183 V C 2.304 178.363 176.094 -0.059 0.000 1.053 183 V CA 2.527 64.808 62.300 -0.031 0.000 1.027 183 V CB -0.728 31.120 31.823 0.040 0.000 0.646 183 V HN 0.617 nan 8.190 nan 0.000 0.447 184 D N -0.469 119.885 120.400 -0.077 0.000 2.224 184 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 184 D C 2.019 178.255 176.300 -0.107 0.000 0.965 184 D CA 0.958 54.913 54.000 -0.076 0.000 0.852 184 D CB -0.072 40.684 40.800 -0.073 0.000 0.947 184 D HN 0.406 nan 8.370 nan 0.000 0.494 185 I N 1.102 121.574 120.570 -0.163 0.000 2.315 185 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 185 I C 2.361 178.396 176.117 -0.137 0.000 1.117 185 I CA 0.833 62.026 61.300 -0.179 0.000 1.404 185 I CB -0.028 37.816 38.000 -0.261 0.000 1.071 185 I HN -0.084 nan 8.210 nan 0.000 0.419 186 A N 0.164 122.901 122.820 -0.137 0.000 2.014 186 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 186 A C 2.391 179.956 177.584 -0.032 0.000 1.163 186 A CA 0.931 52.923 52.037 -0.076 0.000 0.652 186 A CB -0.458 18.524 19.000 -0.030 0.000 0.808 186 A HN 0.263 nan 8.150 nan 0.000 0.449 187 R N -0.210 120.271 120.500 -0.032 0.000 2.115 187 R HA -0.117 4.223 4.340 -0.000 0.000 0.230 187 R C 0.319 176.606 176.300 -0.022 0.000 1.111 187 R CA 1.495 57.585 56.100 -0.017 0.000 0.976 187 R CB -0.081 30.209 30.300 -0.017 0.000 0.870 187 R HN 0.400 nan 8.270 nan 0.000 0.445 188 D N 0.134 120.511 120.400 -0.037 0.000 2.328 188 D HA 0.062 4.702 4.640 -0.000 0.000 0.221 188 D C 0.213 176.495 176.300 -0.031 0.000 1.072 188 D CA 0.188 54.167 54.000 -0.034 0.000 0.850 188 D CB 0.200 40.974 40.800 -0.043 0.000 0.922 188 D HN 0.168 nan 8.370 nan 0.000 0.516 189 L N 0.873 122.079 121.223 -0.029 0.000 2.452 189 L HA 0.151 4.491 4.340 -0.000 0.000 0.267 189 L C 0.805 177.668 176.870 -0.012 0.000 1.188 189 L CA 0.047 54.874 54.840 -0.022 0.000 0.821 189 L CB 0.625 42.672 42.059 -0.020 0.000 1.102 189 L HN -0.342 nan 8.230 nan 0.000 0.470 190 K N 1.933 122.328 120.400 -0.009 0.000 2.328 190 K HA 0.504 4.824 4.320 -0.000 0.000 0.246 190 K C -2.424 174.176 176.600 -0.001 0.000 0.955 190 K CA -2.107 54.178 56.287 -0.004 0.000 0.817 190 K CB 1.421 33.917 32.500 -0.005 0.000 1.208 190 K HN 0.171 nan 8.250 nan 0.000 0.432 191 P HA -0.002 nan 4.420 nan 0.000 0.265 191 P C -0.035 177.268 177.300 0.005 0.000 1.193 191 P CA 0.091 63.194 63.100 0.005 0.000 0.765 191 P CB 0.478 32.182 31.700 0.006 0.000 0.823 192 S N 3.917 119.621 115.700 0.007 0.000 2.617 192 S HA 0.211 4.681 4.470 -0.000 0.000 0.259 192 S C -1.486 173.118 174.600 0.007 0.000 1.301 192 S CA -0.763 57.442 58.200 0.008 0.000 0.984 192 S CB -0.366 62.841 63.200 0.012 0.000 0.954 192 S HN 0.248 nan 8.310 nan 0.000 0.572 193 P HA -0.089 nan 4.420 nan 0.000 0.216 193 P C 1.405 178.709 177.300 0.007 0.000 1.150 193 P CA 1.140 64.243 63.100 0.006 0.000 0.843 193 P CB -0.031 31.673 31.700 0.006 0.000 0.787 194 R N -0.662 119.843 120.500 0.008 0.000 2.328 194 R HA 0.029 4.369 4.340 -0.000 0.000 0.207 194 R C 0.844 177.149 176.300 0.009 0.000 1.056 194 R CA 0.844 56.949 56.100 0.008 0.000 1.016 194 R CB -0.832 29.474 30.300 0.010 0.000 0.872 194 R HN 0.225 nan 8.270 nan 0.000 0.471 195 G N 0.909 109.715 108.800 0.009 0.000 2.160 195 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 195 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 195 G C -0.581 174.326 174.900 0.012 0.000 1.022 195 G CA 0.316 45.422 45.100 0.009 0.000 0.741 195 G HN 0.404 nan 8.290 nan 0.000 0.508 196 E N -0.783 119.425 120.200 0.014 0.000 2.336 196 E HA 0.531 4.881 4.350 -0.000 0.000 0.267 196 E C -0.004 176.606 176.600 0.017 0.000 0.906 196 E CA -1.036 55.375 56.400 0.018 0.000 0.781 196 E CB 1.615 31.329 29.700 0.023 0.000 1.261 196 E HN 0.195 nan 8.360 nan 0.000 0.436 197 L N 2.395 123.630 121.223 0.019 0.000 2.312 197 L HA 0.183 4.523 4.340 -0.000 0.000 0.287 197 L C 0.334 177.218 176.870 0.023 0.000 1.091 197 L CA -0.307 54.544 54.840 0.018 0.000 0.846 197 L CB 0.035 42.106 42.059 0.020 0.000 1.219 197 L HN 0.158 nan 8.230 nan 0.000 0.439 198 E N 2.974 123.185 120.200 0.019 0.000 2.229 198 E HA 0.040 4.390 4.350 -0.000 0.000 0.283 198 E C 0.862 177.467 176.600 0.007 0.000 1.030 198 E CA -0.374 56.039 56.400 0.023 0.000 0.836 198 E CB 2.425 32.141 29.700 0.025 0.000 1.068 198 E HN 0.466 nan 8.360 nan 0.000 0.401 199 I N 3.104 123.673 120.570 -0.002 0.000 2.454 199 I HA -0.248 3.922 4.170 -0.000 0.000 0.254 199 I C 1.911 178.005 176.117 -0.038 0.000 1.156 199 I CA 1.592 62.855 61.300 -0.062 0.000 1.433 199 I CB -0.053 37.843 38.000 -0.173 0.000 1.082 199 I HN 0.460 nan 8.210 nan 0.000 0.432 200 T N 0.224 114.786 114.554 0.014 0.000 2.833 200 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 200 T C 1.477 176.195 174.700 0.030 0.000 1.054 200 T CA 1.594 63.719 62.100 0.042 0.000 1.135 200 T CB -0.298 68.607 68.868 0.061 0.000 0.869 200 T HN 0.373 nan 8.240 nan 0.000 0.466 201 D N 0.580 120.989 120.400 0.014 0.000 2.178 201 D HA -0.020 4.620 4.640 -0.000 0.000 0.202 201 D C 2.163 178.463 176.300 0.000 0.000 0.974 201 D CA 0.448 54.451 54.000 0.005 0.000 0.841 201 D CB -0.322 40.475 40.800 -0.006 0.000 0.953 201 D HN 0.217 nan 8.370 nan 0.000 0.478 202 V N 1.509 121.416 119.914 -0.012 0.000 2.307 202 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 202 V C 2.011 178.185 176.094 0.133 0.000 1.045 202 V CA 1.371 63.660 62.300 -0.019 0.000 1.024 202 V CB -0.361 31.381 31.823 -0.135 0.000 0.651 202 V HN 0.170 nan 8.190 nan 0.000 0.449 203 N N 0.058 118.837 118.700 0.131 0.000 2.188 203 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 203 N C 1.958 177.557 175.510 0.148 0.000 1.018 203 N CA 1.139 54.298 53.050 0.181 0.000 0.858 203 N CB -0.421 38.136 38.487 0.115 0.000 0.989 203 N HN 0.418 nan 8.380 nan 0.000 0.426 204 R N 0.807 121.357 120.500 0.084 0.000 2.115 204 R HA 0.014 4.354 4.340 -0.000 0.000 0.230 204 R C 1.944 178.273 176.300 0.049 0.000 1.111 204 R CA 1.136 57.267 56.100 0.052 0.000 0.976 204 R CB -0.080 30.234 30.300 0.024 0.000 0.870 204 R HN 0.164 nan 8.270 nan 0.000 0.445 205 A N -0.064 122.778 122.820 0.036 0.000 1.902 205 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 205 A C 1.842 179.406 177.584 -0.033 0.000 1.181 205 A CA 1.170 53.186 52.037 -0.036 0.000 0.623 205 A CB -0.770 18.161 19.000 -0.116 0.000 0.818 205 A HN 0.456 nan 8.150 nan 0.000 0.443 206 Y N -0.926 119.368 120.300 -0.010 0.000 2.274 206 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 206 Y C 2.235 178.132 175.900 -0.005 0.000 1.145 206 Y CA 1.362 59.463 58.100 0.002 0.000 1.203 206 Y CB -0.256 38.223 38.460 0.032 0.000 0.984 206 Y HN 0.369 nan 8.280 nan 0.000 0.533 207 L N 0.494 121.806 121.223 0.147 0.000 2.027 207 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 207 L C 1.933 178.827 176.870 0.040 0.000 1.074 207 L CA 1.866 56.749 54.840 0.072 0.000 0.745 207 L CB -0.599 41.485 42.059 0.042 0.000 0.898 207 L HN 0.161 nan 8.230 nan 0.000 0.433 208 E N -0.583 119.632 120.200 0.025 0.000 2.209 208 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 208 E C 1.786 178.385 176.600 -0.001 0.000 0.993 208 E CA 0.975 57.377 56.400 0.004 0.000 0.819 208 E CB -0.078 29.616 29.700 -0.009 0.000 0.745 208 E HN 0.474 nan 8.360 nan 0.000 0.477 209 R N -0.564 119.937 120.500 0.002 0.000 2.359 209 R HA 0.113 4.453 4.340 -0.000 0.000 0.231 209 R C 0.822 177.133 176.300 0.019 0.000 0.913 209 R CA 0.416 56.514 56.100 -0.003 0.000 1.075 209 R CB 0.659 30.944 30.300 -0.025 0.000 1.087 209 R HN 0.180 nan 8.270 nan 0.000 0.515 210 G N 1.324 110.142 108.800 0.030 0.000 2.198 210 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 210 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 210 G C 0.315 175.243 174.900 0.046 0.000 1.025 210 G CA 0.245 45.363 45.100 0.031 0.000 0.769 210 G HN 0.458 nan 8.290 nan 0.000 0.507 211 Q N -1.362 118.491 119.800 0.088 0.000 2.135 211 Q HA 0.439 4.779 4.340 -0.000 0.000 0.231 211 Q C 0.137 176.208 176.000 0.119 0.000 0.817 211 Q CA -0.435 55.438 55.803 0.116 0.000 1.073 211 Q CB 1.040 29.884 28.738 0.177 0.000 1.176 211 Q HN 0.459 nan 8.270 nan 0.000 0.478 212 L N 0.813 122.079 121.223 0.072 0.000 2.287 212 L HA 0.471 4.811 4.340 -0.000 0.000 0.287 212 L C -0.564 176.275 176.870 -0.053 0.000 1.022 212 L CA -0.149 54.686 54.840 -0.007 0.000 0.814 212 L CB 1.822 43.902 42.059 0.035 0.000 1.217 212 L HN -0.097 nan 8.230 nan 0.000 0.420 213 S N 4.900 120.530 115.700 -0.116 0.000 2.429 213 S HA 0.669 5.139 4.470 -0.000 0.000 0.302 213 S C -0.785 173.712 174.600 -0.172 0.000 1.115 213 S CA -0.583 57.541 58.200 -0.125 0.000 1.095 213 S CB 0.812 63.922 63.200 -0.150 0.000 0.987 213 S HN 0.488 nan 8.310 nan 0.000 0.474 214 V N 6.204 126.057 119.914 -0.102 0.000 2.313 214 V HA 0.464 4.584 4.120 -0.000 0.000 0.278 214 V C -0.171 175.895 176.094 -0.047 0.000 1.017 214 V CA -0.671 61.581 62.300 -0.080 0.000 0.823 214 V CB 1.191 33.038 31.823 0.040 0.000 1.010 214 V HN 0.834 nan 8.190 nan 0.000 0.443 215 E N 4.070 124.182 120.200 -0.147 0.000 2.204 215 E HA 0.472 4.822 4.350 -0.000 0.000 0.276 215 E C -0.608 176.048 176.600 0.093 0.000 0.974 215 E CA -0.845 55.529 56.400 -0.043 0.000 0.815 215 E CB 2.654 32.321 29.700 -0.054 0.000 1.119 215 E HN 0.341 nan 8.360 nan 0.000 0.393 216 I N 2.246 122.870 120.570 0.089 0.000 2.529 216 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 216 I C 0.558 176.822 176.117 0.245 0.000 1.082 216 I CA 0.032 61.417 61.300 0.141 0.000 1.406 216 I CB 0.224 38.248 38.000 0.039 0.000 1.405 216 I HN 0.463 nan 8.210 nan 0.000 0.548 217 M N 5.903 125.696 119.600 0.321 0.000 2.044 217 M HA 0.472 4.952 4.480 -0.000 0.000 0.333 217 M C 0.313 176.883 176.300 0.450 0.000 1.004 217 M CA -0.411 55.085 55.300 0.327 0.000 0.954 217 M CB 0.806 33.552 32.600 0.244 0.000 1.468 217 M HN 0.690 nan 8.290 nan 0.000 0.414 218 G N 3.519 112.591 108.800 0.453 0.000 2.684 218 G HA2 0.105 4.065 3.960 -0.000 0.000 0.255 218 G HA3 0.105 4.065 3.960 -0.000 0.000 0.255 218 G C 0.668 175.710 174.900 0.237 0.000 1.219 218 G CA -0.602 44.676 45.100 0.297 0.000 0.901 218 G HN 0.978 nan 8.290 nan 0.000 0.548 219 R N -0.581 119.957 120.500 0.063 0.000 2.241 219 R HA -0.018 4.322 4.340 -0.000 0.000 0.224 219 R C 2.061 178.410 176.300 0.081 0.000 1.101 219 R CA 1.291 57.383 56.100 -0.014 0.000 0.995 219 R CB -0.504 29.758 30.300 -0.063 0.000 0.870 219 R HN 0.485 nan 8.270 nan 0.000 0.463 220 G N 0.371 109.217 108.800 0.076 0.000 2.471 220 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 220 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 220 G C 0.005 174.922 174.900 0.028 0.000 1.125 220 G CA 0.177 45.279 45.100 0.004 0.000 0.775 220 G HN 0.264 nan 8.290 nan 0.000 0.548 221 Y N -0.059 120.387 120.300 0.244 0.000 2.374 221 Y HA 0.552 5.102 4.550 -0.000 0.000 0.322 221 Y C 0.563 176.673 175.900 0.349 0.000 1.275 221 Y CA -0.689 57.569 58.100 0.263 0.000 1.307 221 Y CB 1.386 39.998 38.460 0.253 0.000 1.282 221 Y HN 0.098 nan 8.280 nan 0.000 0.509 222 A N 1.595 124.670 122.820 0.424 0.000 2.304 222 A HA 0.479 4.799 4.320 -0.000 0.000 0.323 222 A C -1.940 175.674 177.584 0.050 0.000 1.195 222 A CA -0.430 51.749 52.037 0.237 0.000 0.826 222 A CB 0.117 19.191 19.000 0.123 0.000 1.184 222 A HN 0.767 nan 8.150 nan 0.000 0.496 223 W N 4.857 125.902 121.300 -0.425 0.000 2.453 223 W HA 0.611 5.271 4.660 -0.000 0.000 0.310 223 W C -1.992 174.177 176.519 -0.584 0.000 1.000 223 W CA -0.870 56.007 57.345 -0.780 0.000 1.367 223 W CB 0.738 29.378 29.460 -1.366 0.000 1.269 223 W HN 0.551 nan 8.180 nan 0.000 0.418 224 L N 5.462 126.160 121.223 -0.874 0.000 2.334 224 L HA 0.537 4.877 4.340 -0.000 0.000 0.273 224 L C -0.339 176.008 176.870 -0.872 0.000 1.013 224 L CA -0.979 53.379 54.840 -0.804 0.000 0.816 224 L CB 1.895 43.616 42.059 -0.563 0.000 1.278 224 L HN 0.424 nan 8.230 nan 0.000 0.431 225 D N -1.056 118.930 120.400 -0.690 0.000 2.646 225 D HA 0.257 4.897 4.640 -0.000 0.000 0.245 225 D C 0.068 176.199 176.300 -0.283 0.000 1.099 225 D CA -0.569 53.145 54.000 -0.476 0.000 0.849 225 D CB 1.936 42.459 40.800 -0.462 0.000 1.448 225 D HN 0.507 nan 8.370 nan 0.000 0.489 226 T N 0.339 114.773 114.554 -0.200 0.000 3.332 226 T HA 0.345 4.695 4.350 -0.000 0.000 0.246 226 T C 1.456 176.087 174.700 -0.114 0.000 0.943 226 T CA -0.226 61.785 62.100 -0.148 0.000 0.922 226 T CB 0.007 68.803 68.868 -0.120 0.000 1.086 226 T HN 0.491 nan 8.240 nan 0.000 0.590 227 G N 1.792 110.516 108.800 -0.127 0.000 2.430 227 G HA2 0.138 4.098 3.960 -0.000 0.000 0.216 227 G HA3 0.138 4.098 3.960 -0.000 0.000 0.216 227 G C 0.787 175.589 174.900 -0.162 0.000 1.146 227 G CA 0.685 45.712 45.100 -0.121 0.000 0.793 227 G HN 0.728 nan 8.290 nan 0.000 0.537 228 T N -3.948 110.506 114.554 -0.166 0.000 2.932 228 T HA 0.427 4.777 4.350 -0.000 0.000 0.289 228 T C 0.827 175.427 174.700 -0.167 0.000 1.039 228 T CA -0.479 61.486 62.100 -0.226 0.000 1.024 228 T CB 1.727 70.498 68.868 -0.162 0.000 1.090 228 T HN 0.285 nan 8.240 nan 0.000 0.496 229 H N 0.464 119.510 119.070 -0.040 0.000 2.325 229 H HA -0.146 4.410 4.556 -0.000 0.000 0.293 229 H C 1.557 176.862 175.328 -0.037 0.000 1.106 229 H CA 2.169 58.198 56.048 -0.031 0.000 1.247 229 H CB -0.024 29.726 29.762 -0.020 0.000 1.359 229 H HN 0.618 nan 8.280 nan 0.000 0.488 230 D N -0.030 120.416 120.400 0.078 0.000 2.097 230 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 230 D C 2.457 178.745 176.300 -0.020 0.000 0.984 230 D CA 1.697 55.712 54.000 0.024 0.000 0.826 230 D CB -0.466 40.338 40.800 0.006 0.000 0.973 230 D HN 0.454 nan 8.370 nan 0.000 0.460 231 S N 0.645 116.312 115.700 -0.055 0.000 2.423 231 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 231 S C 1.996 176.535 174.600 -0.102 0.000 1.014 231 S CA 0.424 58.565 58.200 -0.098 0.000 0.965 231 S CB -0.415 62.703 63.200 -0.137 0.000 0.785 231 S HN 0.173 nan 8.310 nan 0.000 0.495 232 L N 0.932 122.114 121.223 -0.068 0.000 2.109 232 L HA 0.239 4.579 4.340 -0.000 0.000 0.207 232 L C 2.121 178.971 176.870 -0.033 0.000 1.086 232 L CA 1.293 56.099 54.840 -0.057 0.000 0.760 232 L CB -0.823 41.226 42.059 -0.017 0.000 0.910 232 L HN 0.383 nan 8.230 nan 0.000 0.437 233 L N -0.501 120.717 121.223 -0.009 0.000 2.072 233 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 233 L C 2.344 179.205 176.870 -0.014 0.000 1.079 233 L CA 1.683 56.524 54.840 0.002 0.000 0.752 233 L CB -0.627 41.440 42.059 0.013 0.000 0.906 233 L HN 0.352 nan 8.230 nan 0.000 0.436 234 E N -0.406 119.775 120.200 -0.033 0.000 2.077 234 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 234 E C 2.170 178.741 176.600 -0.049 0.000 0.989 234 E CA 1.076 57.453 56.400 -0.038 0.000 0.800 234 E CB -0.262 29.401 29.700 -0.062 0.000 0.746 234 E HN 0.663 nan 8.360 nan 0.000 0.452 235 A N 0.877 123.637 122.820 -0.101 0.000 1.933 235 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 235 A C 2.347 179.904 177.584 -0.044 0.000 1.175 235 A CA 1.669 53.628 52.037 -0.129 0.000 0.628 235 A CB -0.986 17.887 19.000 -0.212 0.000 0.814 235 A HN 0.379 nan 8.150 nan 0.000 0.444 236 G N -0.907 107.879 108.800 -0.023 0.000 2.421 236 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 236 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 236 G C 1.610 176.489 174.900 -0.035 0.000 1.171 236 G CA 1.274 46.392 45.100 0.030 0.000 0.775 236 G HN 0.550 nan 8.290 nan 0.000 0.543 237 Q N -0.366 119.415 119.800 -0.033 0.000 2.167 237 Q HA 0.000 4.340 4.340 -0.000 0.000 0.202 237 Q C 1.990 177.942 176.000 -0.080 0.000 0.970 237 Q CA 1.018 56.773 55.803 -0.081 0.000 0.855 237 Q CB -0.504 28.212 28.738 -0.036 0.000 0.911 237 Q HN 0.455 nan 8.270 nan 0.000 0.438 238 F N -0.288 119.562 119.950 -0.166 0.000 2.113 238 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 238 F C 1.588 177.259 175.800 -0.215 0.000 1.103 238 F CA 1.107 59.008 58.000 -0.165 0.000 1.248 238 F CB -0.119 38.796 39.000 -0.142 0.000 0.999 238 F HN 0.083 nan 8.300 nan 0.000 0.475 239 I N 0.910 121.468 120.570 -0.019 0.000 2.163 239 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 239 I C 2.768 178.676 176.117 -0.348 0.000 1.085 239 I CA 1.544 62.758 61.300 -0.143 0.000 1.347 239 I CB -2.189 35.842 38.000 0.051 0.000 1.044 239 I HN 0.244 nan 8.210 nan 0.000 0.408 240 A N 0.197 122.635 122.820 -0.635 0.000 1.940 240 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 240 A C 2.454 179.758 177.584 -0.467 0.000 1.176 240 A CA 2.435 53.868 52.037 -1.007 0.000 0.631 240 A CB -1.073 17.058 19.000 -1.448 0.000 0.814 240 A HN 0.417 nan 8.150 nan 0.000 0.446 241 T N 0.402 114.732 114.554 -0.373 0.000 2.708 241 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 241 T C 1.820 176.353 174.700 -0.278 0.000 1.037 241 T CA 1.530 63.459 62.100 -0.284 0.000 1.146 241 T CB -0.403 68.296 68.868 -0.280 0.000 0.865 241 T HN 0.390 nan 8.240 nan 0.000 0.435 242 L N 0.621 121.625 121.223 -0.365 0.000 2.042 242 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 242 L C 2.726 179.487 176.870 -0.181 0.000 1.076 242 L CA 1.532 56.195 54.840 -0.294 0.000 0.749 242 L CB -0.552 41.261 42.059 -0.410 0.000 0.893 242 L HN 0.345 nan 8.230 nan 0.000 0.432 243 E N -0.152 119.942 120.200 -0.176 0.000 2.107 243 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 243 E C 1.751 178.313 176.600 -0.064 0.000 0.982 243 E CA 0.801 57.146 56.400 -0.091 0.000 0.809 243 E CB -0.057 29.629 29.700 -0.023 0.000 0.756 243 E HN 0.477 nan 8.360 nan 0.000 0.459 244 N N 0.761 119.410 118.700 -0.085 0.000 2.457 244 N HA -0.096 4.644 4.740 -0.000 0.000 0.180 244 N C 1.700 177.183 175.510 -0.046 0.000 1.050 244 N CA 0.595 53.616 53.050 -0.048 0.000 0.906 244 N CB 0.076 38.530 38.487 -0.055 0.000 0.968 244 N HN 0.019 nan 8.380 nan 0.000 0.445 245 R N 1.217 121.679 120.500 -0.065 0.000 2.112 245 R HA 0.150 4.490 4.340 -0.000 0.000 0.216 245 R C 1.694 177.981 176.300 -0.023 0.000 1.080 245 R CA 1.239 57.311 56.100 -0.047 0.000 0.996 245 R CB -0.082 30.178 30.300 -0.067 0.000 0.902 245 R HN 0.191 nan 8.270 nan 0.000 0.449 246 Q N -1.110 118.678 119.800 -0.020 0.000 2.339 246 Q HA 0.230 4.570 4.340 -0.000 0.000 0.205 246 Q C 0.662 176.681 176.000 0.032 0.000 0.925 246 Q CA 0.625 56.434 55.803 0.011 0.000 0.898 246 Q CB 0.595 29.347 28.738 0.022 0.000 1.013 246 Q HN 0.544 nan 8.270 nan 0.000 0.504 247 G N 1.281 110.095 108.800 0.022 0.000 2.153 247 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 247 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 247 G C -0.093 174.867 174.900 0.099 0.000 0.994 247 G CA 0.261 45.391 45.100 0.050 0.000 0.698 247 G HN 0.186 nan 8.290 nan 0.000 0.521 248 L N -0.997 120.262 121.223 0.061 0.000 2.322 248 L HA 0.690 5.029 4.340 -0.000 0.000 0.269 248 L C 0.468 177.267 176.870 -0.118 0.000 1.012 248 L CA -1.096 53.807 54.840 0.104 0.000 0.815 248 L CB 1.767 43.918 42.059 0.153 0.000 1.295 248 L HN -0.034 nan 8.230 nan 0.000 0.438 249 K N 0.607 120.833 120.400 -0.291 0.000 2.203 249 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 249 K C -1.191 175.385 176.600 -0.039 0.000 0.944 249 K CA -0.757 55.341 56.287 -0.316 0.000 0.829 249 K CB 2.526 34.590 32.500 -0.725 0.000 1.125 249 K HN 0.203 nan 8.250 nan 0.000 0.430 250 V N 1.989 121.925 119.914 0.038 0.000 2.481 250 V HA 0.299 4.419 4.120 -0.000 0.000 0.286 250 V C 0.203 176.364 176.094 0.111 0.000 1.042 250 V CA -0.220 62.169 62.300 0.148 0.000 0.928 250 V CB 1.023 32.939 31.823 0.156 0.000 0.986 250 V HN 1.036 nan 8.190 nan 0.000 0.462 251 A N 3.204 126.104 122.820 0.133 0.000 2.519 251 A HA -0.206 4.113 4.320 -0.000 0.000 0.297 251 A C 0.414 177.986 177.584 -0.020 0.000 1.472 251 A CA 0.705 52.757 52.037 0.024 0.000 0.739 251 A CB -1.773 17.148 19.000 -0.131 0.000 1.096 251 A HN 1.593 nan 8.150 nan 0.000 0.414 252 C N 1.359 120.676 119.300 0.028 0.000 2.223 252 C HA 0.679 5.139 4.460 -0.000 0.000 0.324 252 C C -0.292 174.610 174.990 -0.146 0.000 1.196 252 C CA -1.582 57.464 59.018 0.046 0.000 1.628 252 C CB 0.075 27.866 27.740 0.085 0.000 2.229 252 C HN 0.508 nan 8.230 nan 0.000 0.486 253 P HA -0.136 nan 4.420 nan 0.000 0.216 253 P C 1.189 178.133 177.300 -0.594 0.000 1.150 253 P CA 1.679 64.401 63.100 -0.630 0.000 0.843 253 P CB 0.252 31.134 31.700 -1.363 0.000 0.787 254 E N -0.155 119.668 120.200 -0.627 0.000 2.058 254 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 254 E C 2.080 178.594 176.600 -0.144 0.000 0.997 254 E CA 1.369 57.543 56.400 -0.375 0.000 0.801 254 E CB -0.850 28.720 29.700 -0.217 0.000 0.746 254 E HN 0.445 nan 8.360 nan 0.000 0.450 255 E N 0.513 120.646 120.200 -0.111 0.000 2.118 255 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 255 E C 1.960 178.556 176.600 -0.006 0.000 0.992 255 E CA 1.128 57.514 56.400 -0.024 0.000 0.804 255 E CB -0.097 29.613 29.700 0.016 0.000 0.741 255 E HN 0.288 nan 8.360 nan 0.000 0.458 256 I N 0.676 121.205 120.570 -0.069 0.000 2.406 256 I HA -0.145 4.025 4.170 -0.000 0.000 0.249 256 I C 2.583 178.601 176.117 -0.165 0.000 1.122 256 I CA 0.705 61.942 61.300 -0.105 0.000 1.431 256 I CB -0.284 37.662 38.000 -0.090 0.000 1.087 256 I HN 0.192 nan 8.210 nan 0.000 0.424 257 A N 0.607 123.377 122.820 -0.083 0.000 1.883 257 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 257 A C 2.312 179.892 177.584 -0.006 0.000 1.186 257 A CA 1.794 53.839 52.037 0.013 0.000 0.624 257 A CB -1.141 17.980 19.000 0.202 0.000 0.822 257 A HN 0.528 nan 8.150 nan 0.000 0.444 258 Y N 0.750 120.997 120.300 -0.087 0.000 2.165 258 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 258 Y C 2.404 178.231 175.900 -0.121 0.000 1.155 258 Y CA 2.138 60.194 58.100 -0.073 0.000 1.164 258 Y CB -0.310 38.102 38.460 -0.079 0.000 0.978 258 Y HN 0.280 nan 8.280 nan 0.000 0.513 259 R N -0.175 120.199 120.500 -0.209 0.000 2.148 259 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 259 R C 1.858 177.949 176.300 -0.347 0.000 1.088 259 R CA 1.236 57.144 56.100 -0.319 0.000 0.985 259 R CB -0.183 30.008 30.300 -0.182 0.000 0.880 259 R HN 0.471 nan 8.270 nan 0.000 0.451 260 Q N 0.823 120.364 119.800 -0.432 0.000 2.444 260 Q HA 0.021 4.361 4.340 -0.000 0.000 0.206 260 Q C -0.017 175.717 176.000 -0.443 0.000 0.948 260 Q CA 0.311 55.757 55.803 -0.594 0.000 0.946 260 Q CB 0.488 28.459 28.738 -1.277 0.000 1.027 260 Q HN 0.217 nan 8.270 nan 0.000 0.513 261 K N -1.325 118.901 120.400 -0.290 0.000 3.341 261 K HA -0.171 4.149 4.320 -0.000 0.000 0.305 261 K C 0.138 176.825 176.600 0.145 0.000 1.270 261 K CA 0.900 57.127 56.287 -0.100 0.000 0.897 261 K CB -1.871 30.593 32.500 -0.059 0.000 1.264 261 K HN 0.334 nan 8.250 nan 0.000 0.468 262 W N 1.164 122.479 121.300 0.024 0.000 2.800 262 W HA 0.239 4.899 4.660 -0.000 0.000 0.249 262 W C 1.474 178.043 176.519 0.083 0.000 1.294 262 W CA 0.382 57.761 57.345 0.056 0.000 1.402 262 W CB -0.274 29.230 29.460 0.072 0.000 1.126 262 W HN 0.322 nan 8.180 nan 0.000 0.652 263 I N -1.637 119.110 120.570 0.295 0.000 2.994 263 I HA 0.483 4.653 4.170 -0.000 0.000 0.306 263 I C -0.443 175.811 176.117 0.227 0.000 1.195 263 I CA -1.176 60.269 61.300 0.242 0.000 1.001 263 I CB 2.062 40.217 38.000 0.258 0.000 1.244 263 I HN -0.279 nan 8.210 nan 0.000 0.437 264 D N 3.237 123.758 120.400 0.201 0.000 2.564 264 D HA 0.586 5.226 4.640 -0.000 0.000 0.273 264 D C 1.114 177.574 176.300 0.267 0.000 1.192 264 D CA -0.181 53.952 54.000 0.220 0.000 1.080 264 D CB 0.789 41.671 40.800 0.137 0.000 1.160 264 D HN 0.672 nan 8.370 nan 0.000 0.607 265 A N -0.209 122.762 122.820 0.252 0.000 1.877 265 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 265 A C 2.184 179.783 177.584 0.024 0.000 1.186 265 A CA 2.695 54.801 52.037 0.115 0.000 0.620 265 A CB -1.552 17.513 19.000 0.109 0.000 0.822 265 A HN 0.668 nan 8.150 nan 0.000 0.443 266 A N -0.965 121.885 122.820 0.051 0.000 1.908 266 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 266 A C 2.134 179.740 177.584 0.037 0.000 1.181 266 A CA 1.962 54.019 52.037 0.034 0.000 0.627 266 A CB -0.589 18.436 19.000 0.042 0.000 0.818 266 A HN 0.635 nan 8.150 nan 0.000 0.445 267 Q N -1.324 118.516 119.800 0.066 0.000 2.079 267 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 267 Q C 2.065 178.103 176.000 0.063 0.000 0.974 267 Q CA 1.450 57.302 55.803 0.082 0.000 0.840 267 Q CB -0.266 28.547 28.738 0.124 0.000 0.898 267 Q HN 0.604 nan 8.270 nan 0.000 0.430 268 L N 0.874 122.108 121.223 0.018 0.000 2.093 268 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 268 L C 2.000 178.829 176.870 -0.067 0.000 1.085 268 L CA 1.933 56.736 54.840 -0.061 0.000 0.755 268 L CB -0.489 41.415 42.059 -0.259 0.000 0.904 268 L HN 0.190 nan 8.230 nan 0.000 0.435 269 E N -0.246 119.913 120.200 -0.067 0.000 2.058 269 E HA -0.319 4.031 4.350 -0.000 0.000 0.194 269 E C 2.283 178.879 176.600 -0.007 0.000 0.997 269 E CA 1.822 58.191 56.400 -0.051 0.000 0.801 269 E CB -0.196 29.481 29.700 -0.038 0.000 0.746 269 E HN 0.513 nan 8.360 nan 0.000 0.450 270 K N 0.127 120.538 120.400 0.018 0.000 2.148 270 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 270 K C 2.035 178.672 176.600 0.062 0.000 1.050 270 K CA 0.951 57.261 56.287 0.039 0.000 0.942 270 K CB -0.040 32.489 32.500 0.048 0.000 0.724 270 K HN 0.205 nan 8.250 nan 0.000 0.446 271 L N 0.241 121.512 121.223 0.080 0.000 2.291 271 L HA -0.074 4.266 4.340 -0.000 0.000 0.214 271 L C 2.433 179.372 176.870 0.114 0.000 1.120 271 L CA 0.810 55.727 54.840 0.129 0.000 0.799 271 L CB -0.307 41.857 42.059 0.175 0.000 0.925 271 L HN 0.267 nan 8.230 nan 0.000 0.446 272 A N -0.067 122.789 122.820 0.060 0.000 1.930 272 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 272 A C 2.568 180.187 177.584 0.058 0.000 1.176 272 A CA 1.141 53.209 52.037 0.050 0.000 0.632 272 A CB -0.477 18.517 19.000 -0.009 0.000 0.819 272 A HN 0.328 nan 8.150 nan 0.000 0.445 273 A N 1.013 123.859 122.820 0.044 0.000 1.869 273 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 273 A C 0.404 178.018 177.584 0.050 0.000 1.203 273 A CA 2.117 54.177 52.037 0.039 0.000 0.638 273 A CB -1.878 17.141 19.000 0.032 0.000 0.831 273 A HN 0.496 nan 8.150 nan 0.000 0.450 274 P HA -0.073 nan 4.420 nan 0.000 0.222 274 P C 0.945 178.288 177.300 0.072 0.000 1.147 274 P CA 0.931 64.068 63.100 0.061 0.000 0.790 274 P CB -0.101 31.640 31.700 0.069 0.000 0.780 275 L N -1.481 119.799 121.223 0.095 0.000 2.640 275 L HA 0.284 4.624 4.340 -0.000 0.000 0.230 275 L C 2.323 179.254 176.870 0.101 0.000 1.123 275 L CA 0.070 54.981 54.840 0.119 0.000 0.900 275 L CB -0.430 41.749 42.059 0.199 0.000 1.146 275 L HN -0.143 nan 8.230 nan 0.000 0.484 276 A N 0.150 123.012 122.820 0.070 0.000 2.019 276 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 276 A C 2.130 179.742 177.584 0.046 0.000 1.164 276 A CA 1.242 53.310 52.037 0.052 0.000 0.644 276 A CB -0.143 18.877 19.000 0.033 0.000 0.805 276 A HN 0.154 nan 8.150 nan 0.000 0.449 277 K N 0.391 120.817 120.400 0.044 0.000 2.365 277 K HA -0.064 4.256 4.320 -0.000 0.000 0.199 277 K C 0.220 176.844 176.600 0.039 0.000 1.045 277 K CA 0.967 57.275 56.287 0.035 0.000 0.962 277 K CB -0.536 31.980 32.500 0.028 0.000 0.759 277 K HN 0.903 nan 8.250 nan 0.000 0.469 278 N N -2.698 116.036 118.700 0.056 0.000 2.453 278 N HA 0.276 5.016 4.740 -0.000 0.000 0.290 278 N C 1.103 176.666 175.510 0.089 0.000 1.250 278 N CA -0.330 52.757 53.050 0.061 0.000 0.815 278 N CB 0.559 39.080 38.487 0.057 0.000 1.381 278 N HN -0.181 nan 8.380 nan 0.000 0.510 279 G N -0.756 108.095 108.800 0.084 0.000 2.475 279 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 279 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 279 G C 0.884 175.874 174.900 0.149 0.000 1.125 279 G CA 0.850 46.006 45.100 0.095 0.000 0.755 279 G HN 0.644 nan 8.290 nan 0.000 0.565 280 Y N 1.592 121.918 120.300 0.043 0.000 2.163 280 Y HA 0.040 4.590 4.550 -0.000 0.000 0.288 280 Y C 2.820 178.793 175.900 0.122 0.000 1.136 280 Y CA 1.603 59.749 58.100 0.077 0.000 1.147 280 Y CB -0.376 38.112 38.460 0.047 0.000 0.987 280 Y HN 0.137 nan 8.280 nan 0.000 0.509 281 G N -0.602 108.339 108.800 0.235 0.000 2.421 281 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 281 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 281 G C 1.434 176.364 174.900 0.050 0.000 1.171 281 G CA 0.911 46.089 45.100 0.130 0.000 0.775 281 G HN 0.443 nan 8.290 nan 0.000 0.543 282 Q N -0.983 118.856 119.800 0.065 0.000 2.112 282 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 282 Q C 2.200 178.215 176.000 0.024 0.000 0.987 282 Q CA 1.746 57.571 55.803 0.037 0.000 0.858 282 Q CB -0.352 28.416 28.738 0.050 0.000 0.905 282 Q HN 0.666 nan 8.270 nan 0.000 0.420 283 Y N 0.880 121.124 120.300 -0.095 0.000 2.145 283 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 283 Y C 1.727 177.521 175.900 -0.177 0.000 1.145 283 Y CA 1.440 59.455 58.100 -0.141 0.000 1.148 283 Y CB -0.206 38.137 38.460 -0.194 0.000 0.981 283 Y HN 0.030 nan 8.280 nan 0.000 0.507 284 L N 0.147 121.235 121.223 -0.224 0.000 2.079 284 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 284 L C 2.472 179.167 176.870 -0.292 0.000 1.081 284 L CA 1.825 56.477 54.840 -0.312 0.000 0.752 284 L CB -0.613 41.346 42.059 -0.168 0.000 0.896 284 L HN 0.231 nan 8.230 nan 0.000 0.433 285 K N -0.067 120.222 120.400 -0.185 0.000 2.057 285 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 285 K C 2.230 178.715 176.600 -0.192 0.000 1.050 285 K CA 1.227 57.418 56.287 -0.159 0.000 0.935 285 K CB -0.139 32.308 32.500 -0.088 0.000 0.715 285 K HN 0.147 nan 8.250 nan 0.000 0.439 286 R N 1.358 121.738 120.500 -0.199 0.000 2.152 286 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 286 R C 1.968 178.123 176.300 -0.243 0.000 1.117 286 R CA 0.934 56.925 56.100 -0.182 0.000 0.981 286 R CB -0.195 30.019 30.300 -0.144 0.000 0.870 286 R HN 0.136 nan 8.270 nan 0.000 0.451 287 L N 0.503 121.501 121.223 -0.374 0.000 2.265 287 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 287 L C 1.958 178.676 176.870 -0.254 0.000 1.117 287 L CA 0.777 55.407 54.840 -0.350 0.000 0.782 287 L CB -0.277 41.509 42.059 -0.455 0.000 0.914 287 L HN 0.308 nan 8.230 nan 0.000 0.441 288 L N -0.480 120.587 121.223 -0.261 0.000 2.395 288 L HA -0.061 4.279 4.340 -0.000 0.000 0.218 288 L C 1.964 178.774 176.870 -0.100 0.000 1.130 288 L CA 1.249 55.967 54.840 -0.203 0.000 0.826 288 L CB -0.339 41.600 42.059 -0.199 0.000 0.941 288 L HN 0.409 nan 8.230 nan 0.000 0.451 289 T N -5.110 109.383 114.554 -0.101 0.000 3.145 289 T HA 0.174 4.524 4.350 -0.000 0.000 0.281 289 T C 0.239 174.902 174.700 -0.063 0.000 1.003 289 T CA -0.398 61.663 62.100 -0.066 0.000 0.901 289 T CB 0.405 69.238 68.868 -0.059 0.000 1.112 289 T HN 0.128 nan 8.240 nan 0.000 0.535 290 E N 1.201 121.353 120.200 -0.081 0.000 2.248 290 E HA 0.437 4.787 4.350 -0.000 0.000 0.267 290 E C -1.205 175.328 176.600 -0.111 0.000 0.877 290 E CA -0.566 55.784 56.400 -0.084 0.000 0.759 290 E CB 1.876 31.523 29.700 -0.088 0.000 1.182 290 E HN 0.140 nan 8.360 nan 0.000 0.418 291 T N 2.495 116.961 114.554 -0.147 0.000 2.806 291 T HA 0.320 4.670 4.350 -0.000 0.000 0.290 291 T C -0.488 173.975 174.700 -0.394 0.000 0.966 291 T CA -0.455 61.483 62.100 -0.270 0.000 1.060 291 T CB 1.003 69.674 68.868 -0.328 0.000 0.927 291 T HN 0.175 nan 8.240 nan 0.000 0.485 292 V N 4.616 124.302 119.914 -0.380 0.000 2.409 292 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 292 V C -0.671 175.210 176.094 -0.355 0.000 1.020 292 V CA -1.000 61.127 62.300 -0.290 0.000 0.848 292 V CB 0.523 32.278 31.823 -0.112 0.000 0.990 292 V HN 0.802 nan 8.190 nan 0.000 0.430 293 Y N 0.000 120.301 120.300 0.001 0.000 2.660 293 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 293 Y CA 0.000 58.097 58.100 -0.004 0.000 1.940 293 Y CB 0.000 38.460 38.460 -0.001 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758