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 1v53_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTSMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE EASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.371 55.300 0.118 0.000 0.988 1 M CB 0.000 32.670 32.600 0.117 0.000 1.302 2 K N 5.504 125.904 120.400 -0.000 0.000 2.127 2 K HA 0.304 4.623 4.320 -0.001 0.000 0.261 2 K C -0.952 175.599 176.600 -0.082 0.000 1.129 2 K CA -0.156 56.105 56.287 -0.042 0.000 0.993 2 K CB -0.064 32.425 32.500 -0.017 0.000 1.410 2 K HN 0.772 nan 8.250 nan 0.000 0.380 3 M N 2.878 122.356 119.600 -0.203 0.000 2.217 3 M HA 0.113 4.592 4.480 -0.001 0.000 0.352 3 M C -0.059 176.118 176.300 -0.205 0.000 1.376 3 M CA 0.577 55.706 55.300 -0.283 0.000 1.107 3 M CB 0.499 32.679 32.600 -0.700 0.000 1.723 3 M HN 0.227 nan 8.290 nan 0.000 0.461 4 K N 5.153 125.521 120.400 -0.053 0.000 2.334 4 K HA 0.534 4.853 4.320 -0.001 0.000 0.265 4 K C -1.217 175.382 176.600 -0.002 0.000 1.039 4 K CA -0.226 56.034 56.287 -0.045 0.000 0.920 4 K CB 0.864 33.379 32.500 0.024 0.000 1.160 4 K HN 0.617 nan 8.250 nan 0.000 0.451 5 L N 2.209 123.358 121.223 -0.123 0.000 2.307 5 L HA 0.544 4.883 4.340 -0.001 0.000 0.284 5 L C 0.013 176.916 176.870 0.055 0.000 1.023 5 L CA -1.014 53.803 54.840 -0.037 0.000 0.810 5 L CB 1.761 43.713 42.059 -0.179 0.000 1.231 5 L HN 0.567 nan 8.230 nan 0.000 0.423 6 A N 3.643 126.534 122.820 0.119 0.000 2.252 6 A HA 0.612 4.931 4.320 -0.001 0.000 0.309 6 A C -0.336 177.331 177.584 0.139 0.000 1.285 6 A CA -0.451 51.663 52.037 0.128 0.000 0.900 6 A CB 0.671 19.752 19.000 0.134 0.000 1.157 6 A HN 0.438 nan 8.150 nan 0.000 0.536 7 V N 4.052 124.056 119.914 0.150 0.000 2.385 7 V HA 0.277 4.396 4.120 -0.001 0.000 0.269 7 V C -0.523 175.621 176.094 0.084 0.000 1.043 7 V CA -0.059 62.322 62.300 0.134 0.000 0.906 7 V CB 0.651 32.564 31.823 0.151 0.000 0.995 7 V HN 0.674 nan 8.190 nan 0.000 0.467 8 L N 8.704 129.967 121.223 0.067 0.000 2.637 8 L HA 0.362 4.701 4.340 -0.001 0.000 0.241 8 L C -1.082 175.805 176.870 0.029 0.000 1.398 8 L CA -1.163 53.701 54.840 0.041 0.000 0.895 8 L CB 1.145 43.225 42.059 0.034 0.000 1.183 8 L HN 0.359 nan 8.230 nan 0.000 0.497 9 P HA -0.144 nan 4.420 nan 0.000 0.216 9 P C 0.923 178.236 177.300 0.022 0.000 1.153 9 P CA 1.707 64.824 63.100 0.028 0.000 0.858 9 P CB 0.643 32.359 31.700 0.026 0.000 0.789 10 G N 0.444 109.249 108.800 0.008 0.000 2.512 10 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.240 10 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.240 10 G C -0.758 174.149 174.900 0.012 0.000 1.246 10 G CA 0.180 45.274 45.100 -0.011 0.000 0.919 10 G HN 0.299 nan 8.290 nan 0.000 0.577 11 D N 1.087 121.501 120.400 0.023 0.000 2.506 11 D HA 0.516 5.155 4.640 -0.001 0.000 0.272 11 D C 1.616 177.986 176.300 0.117 0.000 1.214 11 D CA 0.992 55.053 54.000 0.102 0.000 1.067 11 D CB -0.172 40.720 40.800 0.153 0.000 1.117 11 D HN 1.719 nan 8.370 nan 0.000 0.578 12 G N 0.750 109.639 108.800 0.149 0.000 2.684 12 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.332 12 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.332 12 G C 1.170 176.113 174.900 0.071 0.000 1.306 12 G CA 1.076 46.237 45.100 0.101 0.000 1.002 12 G HN 0.724 nan 8.290 nan 0.000 0.545 13 I N 0.332 120.937 120.570 0.058 0.000 3.291 13 I HA 0.279 4.449 4.170 -0.001 0.000 0.279 13 I C 2.333 178.494 176.117 0.073 0.000 1.294 13 I CA 1.416 62.742 61.300 0.043 0.000 1.428 13 I CB -0.976 37.025 38.000 0.001 0.000 1.070 13 I HN 0.641 nan 8.210 nan 0.000 0.478 14 G N 3.590 112.445 108.800 0.091 0.000 2.719 14 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.219 14 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.219 14 G C -0.100 174.837 174.900 0.062 0.000 1.234 14 G CA 1.632 46.784 45.100 0.087 0.000 0.788 14 G HN 0.426 nan 8.290 nan 0.000 0.619 15 P HA -0.076 nan 4.420 nan 0.000 0.218 15 P C 1.351 178.663 177.300 0.020 0.000 1.148 15 P CA 1.577 64.694 63.100 0.028 0.000 0.822 15 P CB -0.067 31.648 31.700 0.025 0.000 0.784 16 E N 0.155 120.370 120.200 0.025 0.000 2.023 16 E HA -0.136 4.213 4.350 -0.001 0.000 0.196 16 E C 2.196 178.806 176.600 0.016 0.000 1.003 16 E CA 1.976 58.384 56.400 0.013 0.000 0.809 16 E CB -0.696 29.010 29.700 0.010 0.000 0.755 16 E HN 0.184 nan 8.360 nan 0.000 0.449 17 V N -0.587 119.352 119.914 0.041 0.000 2.358 17 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 17 V C 2.367 178.483 176.094 0.038 0.000 1.047 17 V CA 1.786 64.120 62.300 0.056 0.000 1.035 17 V CB -0.624 31.278 31.823 0.131 0.000 0.658 17 V HN 0.148 nan 8.190 nan 0.000 0.452 18 M N 1.986 121.607 119.600 0.035 0.000 2.106 18 M HA -0.220 4.259 4.480 -0.001 0.000 0.259 18 M C 1.734 178.024 176.300 -0.017 0.000 1.068 18 M CA 2.466 57.776 55.300 0.017 0.000 1.100 18 M CB -1.146 31.465 32.600 0.019 0.000 1.351 18 M HN 0.559 nan 8.290 nan 0.000 0.404 19 D N -0.602 119.783 120.400 -0.026 0.000 2.182 19 D HA -0.109 4.530 4.640 -0.001 0.000 0.201 19 D C 1.822 178.088 176.300 -0.056 0.000 0.986 19 D CA 1.641 55.608 54.000 -0.056 0.000 0.847 19 D CB -0.112 40.661 40.800 -0.045 0.000 0.942 19 D HN 0.479 nan 8.370 nan 0.000 0.467 20 A N 0.507 123.309 122.820 -0.030 0.000 1.858 20 A HA 0.036 4.355 4.320 -0.001 0.000 0.216 20 A C 2.405 179.973 177.584 -0.027 0.000 1.190 20 A CA 2.256 54.277 52.037 -0.026 0.000 0.617 20 A CB -1.191 17.804 19.000 -0.009 0.000 0.827 20 A HN 0.293 nan 8.150 nan 0.000 0.443 21 A N 0.141 122.953 122.820 -0.013 0.000 1.892 21 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 21 A C 2.137 179.711 177.584 -0.016 0.000 1.188 21 A CA 1.748 53.784 52.037 -0.002 0.000 0.631 21 A CB -0.738 18.274 19.000 0.020 0.000 0.822 21 A HN 0.527 nan 8.150 nan 0.000 0.447 22 I N -1.085 119.442 120.570 -0.073 0.000 2.226 22 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 22 I C 2.812 178.830 176.117 -0.166 0.000 1.100 22 I CA 1.456 62.636 61.300 -0.200 0.000 1.374 22 I CB -0.457 37.301 38.000 -0.403 0.000 1.057 22 I HN 0.328 nan 8.210 nan 0.000 0.413 23 R N 0.354 120.784 120.500 -0.117 0.000 2.073 23 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 23 R C 2.359 178.634 176.300 -0.041 0.000 1.134 23 R CA 1.272 57.323 56.100 -0.082 0.000 0.952 23 R CB -0.585 29.675 30.300 -0.067 0.000 0.850 23 R HN 0.199 nan 8.270 nan 0.000 0.433 24 V N 1.794 121.691 119.914 -0.028 0.000 2.343 24 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 24 V C 2.396 178.493 176.094 0.006 0.000 1.051 24 V CA 1.632 63.926 62.300 -0.011 0.000 1.036 24 V CB -0.453 31.365 31.823 -0.009 0.000 0.654 24 V HN 0.283 nan 8.190 nan 0.000 0.451 25 L N -0.588 120.650 121.223 0.025 0.000 1.994 25 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 25 L C 2.663 179.581 176.870 0.080 0.000 1.071 25 L CA 1.903 56.781 54.840 0.063 0.000 0.745 25 L CB -0.604 41.548 42.059 0.155 0.000 0.892 25 L HN 0.263 nan 8.230 nan 0.000 0.431 26 K N -0.711 119.751 120.400 0.102 0.000 2.059 26 K HA -0.208 4.111 4.320 -0.001 0.000 0.212 26 K C 1.967 178.595 176.600 0.046 0.000 1.050 26 K CA 2.167 58.511 56.287 0.095 0.000 0.927 26 K CB -0.365 32.162 32.500 0.045 0.000 0.714 26 K HN 0.390 nan 8.250 nan 0.000 0.447 27 T N 1.026 115.593 114.554 0.022 0.000 2.569 27 T HA -0.151 4.199 4.350 -0.001 0.000 0.263 27 T C 2.031 176.741 174.700 0.016 0.000 1.074 27 T CA 1.762 63.870 62.100 0.012 0.000 1.176 27 T CB -0.536 68.333 68.868 0.002 0.000 0.863 27 T HN -0.052 nan 8.240 nan 0.000 0.410 28 V N 1.863 121.785 119.914 0.013 0.000 2.313 28 V HA -0.236 3.883 4.120 -0.001 0.000 0.253 28 V C 2.416 178.525 176.094 0.024 0.000 1.070 28 V CA 1.831 64.138 62.300 0.013 0.000 1.057 28 V CB -0.992 30.832 31.823 0.002 0.000 0.653 28 V HN 0.376 nan 8.190 nan 0.000 0.450 29 L N -0.849 120.389 121.223 0.025 0.000 2.051 29 L HA 0.062 4.402 4.340 -0.001 0.000 0.202 29 L C 0.867 177.770 176.870 0.054 0.000 1.097 29 L CA 0.558 55.427 54.840 0.048 0.000 0.762 29 L CB -0.747 41.317 42.059 0.008 0.000 0.913 29 L HN 0.215 nan 8.230 nan 0.000 0.447 30 D N 2.396 122.822 120.400 0.043 0.000 2.501 30 D HA -0.044 4.596 4.640 -0.001 0.000 0.268 30 D C -0.061 176.250 176.300 0.018 0.000 1.361 30 D CA 0.727 54.746 54.000 0.032 0.000 1.258 30 D CB -0.449 40.373 40.800 0.037 0.000 1.136 30 D HN 0.553 nan 8.370 nan 0.000 0.528 31 N N 0.175 118.880 118.700 0.008 0.000 2.180 31 N HA -0.141 4.599 4.740 -0.001 0.000 0.221 31 N C -0.059 175.442 175.510 -0.015 0.000 1.456 31 N CA -0.120 52.929 53.050 -0.002 0.000 1.302 31 N CB -0.004 38.485 38.487 0.004 0.000 1.068 31 N HN 0.179 nan 8.380 nan 0.000 0.681 32 D N 0.373 120.754 120.400 -0.031 0.000 2.409 32 D HA 0.234 4.874 4.640 -0.001 0.000 0.301 32 D C 0.699 176.919 176.300 -0.133 0.000 1.095 32 D CA 1.181 55.136 54.000 -0.075 0.000 0.929 32 D CB 0.571 41.324 40.800 -0.077 0.000 1.623 32 D HN 0.536 nan 8.370 nan 0.000 0.506 33 G N 0.898 109.614 108.800 -0.140 0.000 2.467 33 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.226 33 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.226 33 G C -1.058 173.715 174.900 -0.212 0.000 1.162 33 G CA -0.536 44.471 45.100 -0.154 0.000 0.838 33 G HN 0.421 nan 8.290 nan 0.000 0.498 34 H N 0.564 119.606 119.070 -0.046 0.000 2.953 34 H HA 0.392 4.947 4.556 -0.001 0.000 0.290 34 H C -0.333 174.940 175.328 -0.090 0.000 1.113 34 H CA -0.849 55.153 56.048 -0.075 0.000 1.454 34 H CB 1.100 30.806 29.762 -0.093 0.000 1.525 34 H HN 0.291 nan 8.280 nan 0.000 0.505 35 E N 1.708 121.935 120.200 0.045 0.000 2.418 35 E HA 0.431 4.781 4.350 -0.001 0.000 0.261 35 E C -0.549 175.984 176.600 -0.113 0.000 1.070 35 E CA -0.050 56.336 56.400 -0.024 0.000 0.931 35 E CB 0.787 30.472 29.700 -0.024 0.000 0.954 35 E HN 0.611 nan 8.360 nan 0.000 0.439 36 A N 1.824 124.556 122.820 -0.148 0.000 2.497 36 A HA 0.473 4.792 4.320 -0.001 0.000 0.280 36 A C -1.328 176.026 177.584 -0.383 0.000 1.065 36 A CA -0.706 51.132 52.037 -0.332 0.000 0.781 36 A CB 0.889 19.675 19.000 -0.358 0.000 1.289 36 A HN 0.292 nan 8.150 nan 0.000 0.415 37 V N 2.913 122.589 119.914 -0.397 0.000 2.398 37 V HA 0.572 4.692 4.120 -0.001 0.000 0.286 37 V C -0.658 175.196 176.094 -0.399 0.000 1.026 37 V CA -0.254 61.890 62.300 -0.260 0.000 0.868 37 V CB 0.965 32.728 31.823 -0.101 0.000 0.982 37 V HN 0.694 nan 8.190 nan 0.000 0.443 38 F N 2.548 122.499 119.950 0.002 0.000 2.425 38 F HA 0.641 5.168 4.527 -0.001 0.000 0.331 38 F C 0.346 176.156 175.800 0.018 0.000 1.085 38 F CA -0.545 57.461 58.000 0.011 0.000 1.028 38 F CB 1.549 40.551 39.000 0.004 0.000 1.177 38 F HN 0.493 nan 8.300 nan 0.000 0.487 39 E N 2.041 122.353 120.200 0.188 0.000 2.302 39 E HA 0.306 4.655 4.350 -0.001 0.000 0.263 39 E C -1.575 175.093 176.600 0.113 0.000 0.897 39 E CA -0.764 55.709 56.400 0.121 0.000 0.809 39 E CB 0.809 30.555 29.700 0.078 0.000 1.270 39 E HN 0.652 nan 8.360 nan 0.000 0.410 40 N N 1.892 120.647 118.700 0.093 0.000 2.525 40 N HA 0.561 5.301 4.740 -0.001 0.000 0.271 40 N C -1.148 174.393 175.510 0.053 0.000 1.194 40 N CA 0.274 53.367 53.050 0.071 0.000 0.964 40 N CB 1.643 40.160 38.487 0.051 0.000 1.126 40 N HN 0.527 nan 8.380 nan 0.000 0.452 41 A N 1.206 124.054 122.820 0.045 0.000 2.549 41 A HA 0.620 4.939 4.320 -0.001 0.000 0.297 41 A C -1.435 176.159 177.584 0.017 0.000 1.061 41 A CA -0.596 51.460 52.037 0.032 0.000 0.690 41 A CB 0.746 19.768 19.000 0.038 0.000 1.287 41 A HN 0.431 nan 8.150 nan 0.000 0.402 42 L N 1.440 122.665 121.223 0.003 0.000 2.399 42 L HA 0.720 5.059 4.340 -0.001 0.000 0.266 42 L C 0.125 176.976 176.870 -0.032 0.000 1.114 42 L CA -0.003 54.827 54.840 -0.017 0.000 0.804 42 L CB 1.082 43.126 42.059 -0.025 0.000 1.146 42 L HN 0.695 nan 8.230 nan 0.000 0.451 43 I N -0.005 120.529 120.570 -0.060 0.000 2.828 43 I HA 0.597 4.767 4.170 -0.001 0.000 0.295 43 I C 0.213 176.246 176.117 -0.140 0.000 1.459 43 I CA 0.160 61.414 61.300 -0.077 0.000 1.015 43 I CB 1.738 39.711 38.000 -0.044 0.000 1.345 43 I HN 0.723 nan 8.210 nan 0.000 0.449 44 G N 3.819 112.513 108.800 -0.177 0.000 2.562 44 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.250 44 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.250 44 G C 0.741 175.329 174.900 -0.521 0.000 1.269 44 G CA 0.201 45.129 45.100 -0.287 0.000 0.919 44 G HN 1.461 nan 8.290 nan 0.000 0.574 45 G N -0.215 108.011 108.800 -0.956 0.000 2.475 45 G HA2 0.182 4.141 3.960 -0.001 0.000 0.220 45 G HA3 0.182 4.141 3.960 -0.001 0.000 0.220 45 G C 2.150 176.488 174.900 -0.937 0.000 1.125 45 G CA 3.100 47.015 45.100 -1.975 0.000 0.755 45 G HN 1.980 nan 8.290 nan 0.000 0.565 46 A N 0.976 123.518 122.820 -0.463 0.000 1.933 46 A HA 0.285 4.604 4.320 -0.001 0.000 0.218 46 A C 2.767 180.281 177.584 -0.117 0.000 1.175 46 A CA 2.228 54.180 52.037 -0.142 0.000 0.628 46 A CB -0.615 18.344 19.000 -0.069 0.000 0.814 46 A HN 0.773 nan 8.150 nan 0.000 0.444 47 A N -0.353 122.367 122.820 -0.166 0.000 1.970 47 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 47 A C 2.044 179.563 177.584 -0.109 0.000 1.170 47 A CA 1.072 53.044 52.037 -0.107 0.000 0.645 47 A CB -0.492 18.448 19.000 -0.100 0.000 0.816 47 A HN 0.468 nan 8.150 nan 0.000 0.447 48 I N 0.126 120.578 120.570 -0.197 0.000 2.264 48 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 48 I C 1.737 177.841 176.117 -0.022 0.000 1.111 48 I CA 1.487 62.701 61.300 -0.144 0.000 1.382 48 I CB -0.405 37.424 38.000 -0.286 0.000 1.060 48 I HN 0.252 nan 8.210 nan 0.000 0.418 49 D N 0.645 121.053 120.400 0.013 0.000 2.097 49 D HA -0.130 4.509 4.640 -0.001 0.000 0.197 49 D C 1.917 178.251 176.300 0.056 0.000 0.984 49 D CA 1.116 55.178 54.000 0.102 0.000 0.826 49 D CB -0.183 40.718 40.800 0.168 0.000 0.973 49 D HN 0.326 nan 8.370 nan 0.000 0.460 50 E N -0.500 119.715 120.200 0.026 0.000 2.479 50 E HA 0.275 4.624 4.350 -0.001 0.000 0.193 50 E C 0.487 177.093 176.600 0.011 0.000 1.049 50 E CA 0.088 56.501 56.400 0.021 0.000 0.870 50 E CB 1.002 30.711 29.700 0.016 0.000 0.944 50 E HN 0.176 nan 8.360 nan 0.000 0.492 51 A N -0.329 122.493 122.820 0.003 0.000 2.455 51 A HA 0.420 4.740 4.320 -0.001 0.000 0.233 51 A C 1.134 178.716 177.584 -0.003 0.000 0.968 51 A CA 0.092 52.129 52.037 -0.000 0.000 1.189 51 A CB -0.332 18.665 19.000 -0.007 0.000 1.175 51 A HN 0.089 nan 8.150 nan 0.000 0.451 52 G N 0.058 108.859 108.800 0.003 0.000 2.416 52 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.301 52 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.301 52 G C 0.311 175.205 174.900 -0.010 0.000 0.985 52 G CA 1.565 46.669 45.100 0.006 0.000 0.934 52 G HN 1.802 nan 8.290 nan 0.000 0.513 53 T N -1.063 113.471 114.554 -0.033 0.000 3.395 53 T HA 0.578 4.928 4.350 -0.001 0.000 0.330 53 T C -1.213 173.443 174.700 -0.073 0.000 1.076 53 T CA -0.408 61.667 62.100 -0.041 0.000 1.070 53 T CB 1.913 70.767 68.868 -0.024 0.000 1.119 53 T HN -0.101 nan 8.240 nan 0.000 0.462 54 P HA -0.022 nan 4.420 nan 0.000 0.217 54 P C 0.377 177.626 177.300 -0.086 0.000 1.148 54 P CA 0.543 63.570 63.100 -0.121 0.000 0.828 54 P CB 0.278 31.913 31.700 -0.107 0.000 0.783 55 L N 0.262 121.454 121.223 -0.053 0.000 2.401 55 L HA 0.572 4.911 4.340 -0.001 0.000 0.263 55 L C -2.924 173.933 176.870 -0.022 0.000 1.004 55 L CA -2.894 51.926 54.840 -0.033 0.000 0.881 55 L CB 1.318 43.366 42.059 -0.019 0.000 1.219 55 L HN -0.301 nan 8.230 nan 0.000 0.441 56 P HA 0.199 nan 4.420 nan 0.000 0.271 56 P C 0.102 177.400 177.300 -0.004 0.000 1.220 56 P CA -0.119 62.973 63.100 -0.012 0.000 0.768 56 P CB 0.853 32.545 31.700 -0.013 0.000 0.848 57 E N 1.890 122.089 120.200 -0.002 0.000 2.114 57 E HA -0.273 4.077 4.350 -0.001 0.000 0.199 57 E C 1.577 178.180 176.600 0.004 0.000 1.008 57 E CA 1.478 57.878 56.400 0.001 0.000 0.810 57 E CB -0.545 29.155 29.700 0.001 0.000 0.739 57 E HN 0.620 nan 8.360 nan 0.000 0.456 58 E N 0.010 120.213 120.200 0.004 0.000 2.204 58 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 58 E C 1.440 178.048 176.600 0.012 0.000 0.989 58 E CA 1.347 57.752 56.400 0.008 0.000 0.824 58 E CB 0.067 29.772 29.700 0.009 0.000 0.756 58 E HN 0.264 nan 8.360 nan 0.000 0.477 59 T N 1.446 116.007 114.554 0.012 0.000 2.737 59 T HA -0.114 4.235 4.350 -0.001 0.000 0.265 59 T C 1.874 176.589 174.700 0.026 0.000 1.038 59 T CA 0.988 63.099 62.100 0.019 0.000 1.144 59 T CB -0.156 68.719 68.868 0.012 0.000 0.866 59 T HN 0.174 nan 8.240 nan 0.000 0.434 60 L N 1.080 122.314 121.223 0.018 0.000 2.042 60 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 60 L C 2.441 179.318 176.870 0.011 0.000 1.076 60 L CA 1.285 56.135 54.840 0.017 0.000 0.749 60 L CB -0.788 41.276 42.059 0.008 0.000 0.893 60 L HN 0.220 nan 8.230 nan 0.000 0.432 61 D N 0.320 120.725 120.400 0.008 0.000 2.097 61 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 61 D C 2.304 178.611 176.300 0.012 0.000 0.989 61 D CA 1.083 55.085 54.000 0.003 0.000 0.827 61 D CB -0.158 40.645 40.800 0.004 0.000 0.966 61 D HN 0.163 nan 8.370 nan 0.000 0.456 62 I N 1.082 121.667 120.570 0.025 0.000 2.118 62 I HA -0.297 3.872 4.170 -0.001 0.000 0.241 62 I C 2.584 178.734 176.117 0.055 0.000 1.070 62 I CA 0.955 62.278 61.300 0.039 0.000 1.327 62 I CB -1.234 36.794 38.000 0.046 0.000 1.034 62 I HN 0.127 nan 8.210 nan 0.000 0.405 63 C N 0.585 119.925 119.300 0.067 0.000 2.436 63 C HA -0.125 4.334 4.460 -0.001 0.000 0.277 63 C C 2.855 177.874 174.990 0.048 0.000 1.241 63 C CA 0.413 59.500 59.018 0.114 0.000 1.721 63 C CB -1.169 26.655 27.740 0.140 0.000 2.043 63 C HN 0.438 nan 8.230 nan 0.000 0.472 64 R N 0.781 121.267 120.500 -0.024 0.000 2.261 64 R HA -0.139 4.201 4.340 -0.001 0.000 0.236 64 R C 1.849 178.088 176.300 -0.102 0.000 1.141 64 R CA 1.122 57.154 56.100 -0.112 0.000 1.001 64 R CB -0.245 30.006 30.300 -0.082 0.000 0.866 64 R HN 0.719 nan 8.270 nan 0.000 0.468 65 R N -1.085 119.395 120.500 -0.032 0.000 2.437 65 R HA 0.249 4.588 4.340 -0.001 0.000 0.257 65 R C 0.042 176.357 176.300 0.025 0.000 0.927 65 R CA -0.122 55.969 56.100 -0.014 0.000 1.078 65 R CB 0.674 30.974 30.300 0.000 0.000 1.161 65 R HN -0.142 nan 8.270 nan 0.000 0.529 66 S N 1.088 116.830 115.700 0.071 0.000 2.654 66 S HA 0.164 4.633 4.470 -0.001 0.000 0.283 66 S C -0.082 174.675 174.600 0.261 0.000 1.180 66 S CA -0.807 57.485 58.200 0.154 0.000 1.021 66 S CB 1.600 64.914 63.200 0.191 0.000 1.018 66 S HN 0.062 nan 8.310 nan 0.000 0.532 67 D N 0.880 121.453 120.400 0.288 0.000 2.317 67 D HA 0.346 4.985 4.640 -0.001 0.000 0.211 67 D C 0.470 177.009 176.300 0.398 0.000 0.966 67 D CA 0.630 54.846 54.000 0.360 0.000 0.876 67 D CB 0.157 41.210 40.800 0.421 0.000 0.927 67 D HN 0.582 nan 8.370 nan 0.000 0.519 68 A N -0.374 122.651 122.820 0.341 0.000 2.586 68 A HA 0.594 4.913 4.320 -0.001 0.000 0.291 68 A C -1.663 175.979 177.584 0.097 0.000 1.062 68 A CA -0.692 51.366 52.037 0.035 0.000 0.666 68 A CB 0.752 19.812 19.000 0.100 0.000 1.281 68 A HN -0.010 nan 8.150 nan 0.000 0.421 69 I N 0.907 121.468 120.570 -0.015 0.000 2.406 69 I HA 0.391 4.560 4.170 -0.001 0.000 0.290 69 I C -0.955 175.239 176.117 0.128 0.000 0.999 69 I CA -0.433 60.910 61.300 0.071 0.000 1.124 69 I CB 1.688 39.704 38.000 0.026 0.000 1.289 69 I HN 0.479 nan 8.210 nan 0.000 0.441 70 L N 7.224 128.527 121.223 0.134 0.000 2.265 70 L HA 0.547 4.887 4.340 -0.001 0.000 0.289 70 L C -0.644 176.279 176.870 0.089 0.000 1.033 70 L CA -0.376 54.545 54.840 0.134 0.000 0.814 70 L CB 1.475 43.620 42.059 0.143 0.000 1.203 70 L HN 0.467 nan 8.230 nan 0.000 0.423 71 L N 2.298 123.560 121.223 0.064 0.000 2.381 71 L HA 0.741 5.081 4.340 -0.001 0.000 0.268 71 L C 0.532 177.411 176.870 0.016 0.000 0.997 71 L CA -0.244 54.615 54.840 0.032 0.000 0.818 71 L CB 1.967 44.031 42.059 0.009 0.000 1.310 71 L HN 0.541 nan 8.230 nan 0.000 0.416 72 G N 2.751 111.560 108.800 0.016 0.000 2.558 72 G HA2 0.626 4.585 3.960 -0.001 0.000 0.218 72 G HA3 0.626 4.585 3.960 -0.001 0.000 0.218 72 G C -0.160 174.740 174.900 0.000 0.000 1.567 72 G CA 0.451 45.561 45.100 0.016 0.000 0.950 72 G HN 0.985 nan 8.290 nan 0.000 0.517 73 A N -2.008 120.827 122.820 0.025 0.000 2.586 73 A HA 0.681 5.000 4.320 -0.001 0.000 0.290 73 A C -1.100 176.497 177.584 0.022 0.000 1.086 73 A CA 0.151 52.204 52.037 0.027 0.000 0.665 73 A CB 1.061 20.108 19.000 0.078 0.000 1.279 73 A HN 1.754 nan 8.150 nan 0.000 0.423 74 V N -2.569 117.354 119.914 0.015 0.000 3.160 74 V HA 1.029 5.149 4.120 -0.001 0.000 0.310 74 V C 0.223 176.336 176.094 0.031 0.000 1.181 74 V CA -0.214 62.079 62.300 -0.012 0.000 1.047 74 V CB 0.935 32.721 31.823 -0.062 0.000 1.068 74 V HN 2.963 nan 8.190 nan 0.000 0.441 75 G N -0.793 108.033 108.800 0.043 0.000 2.539 75 G HA2 0.585 4.544 3.960 -0.001 0.000 0.686 75 G HA3 0.585 4.544 3.960 -0.001 0.000 0.686 75 G C -0.197 174.926 174.900 0.371 0.000 1.258 75 G CA -0.165 45.032 45.100 0.162 0.000 0.846 75 G HN 2.861 nan 8.290 nan 0.000 0.647 76 G N -0.095 108.971 108.800 0.442 0.000 2.377 76 G HA2 0.721 4.680 3.960 -0.001 0.000 0.297 76 G HA3 0.721 4.680 3.960 -0.001 0.000 0.297 76 G C -2.128 172.782 174.900 0.017 0.000 1.547 76 G CA 0.372 45.637 45.100 0.275 0.000 0.833 76 G HN 0.592 nan 8.290 nan 0.000 0.583 77 P HA -0.031 nan 4.420 nan 0.000 0.218 77 P C 1.653 178.736 177.300 -0.361 0.000 1.149 77 P CA 1.057 64.022 63.100 -0.224 0.000 0.817 77 P CB 0.272 31.867 31.700 -0.175 0.000 0.785 78 K N -1.163 118.828 120.400 -0.681 0.000 2.360 78 K HA -0.135 4.184 4.320 -0.001 0.000 0.201 78 K C 0.519 176.595 176.600 -0.874 0.000 1.046 78 K CA 1.134 56.859 56.287 -0.937 0.000 0.940 78 K CB -0.154 31.443 32.500 -1.505 0.000 0.748 78 K HN 0.253 nan 8.250 nan 0.000 0.465 79 W N -0.200 121.074 121.300 -0.043 0.000 2.324 79 W HA 0.170 4.830 4.660 -0.001 0.000 0.316 79 W C 0.037 176.505 176.519 -0.085 0.000 0.927 79 W CA -0.563 56.760 57.345 -0.037 0.000 1.438 79 W CB 0.158 29.604 29.460 -0.023 0.000 1.085 79 W HN -0.022 nan 8.180 nan 0.000 0.532 80 D N 0.232 120.601 120.400 -0.052 0.000 2.403 80 D HA -0.107 4.532 4.640 -0.001 0.000 0.227 80 D C 1.378 177.469 176.300 -0.349 0.000 0.995 80 D CA 1.339 55.208 54.000 -0.220 0.000 0.928 80 D CB 0.184 40.760 40.800 -0.374 0.000 0.887 80 D HN 0.273 nan 8.370 nan 0.000 0.529 81 H N -0.789 118.318 119.070 0.062 0.000 2.735 81 H HA 0.056 4.611 4.556 -0.001 0.000 0.250 81 H C 0.657 176.016 175.328 0.051 0.000 0.948 81 H CA -0.170 55.902 56.048 0.041 0.000 1.137 81 H CB -0.017 29.755 29.762 0.016 0.000 1.440 81 H HN 0.180 nan 8.280 nan 0.000 0.444 82 N N 4.372 123.183 118.700 0.185 0.000 2.239 82 N HA -0.031 4.708 4.740 -0.001 0.000 0.225 82 N C -2.446 173.124 175.510 0.100 0.000 1.283 82 N CA -0.757 52.373 53.050 0.134 0.000 0.868 82 N CB -0.642 37.931 38.487 0.142 0.000 1.098 82 N HN 0.049 nan 8.380 nan 0.000 0.436 83 P HA -0.117 nan 4.420 nan 0.000 0.261 83 P C 0.145 177.472 177.300 0.044 0.000 1.165 83 P CA 0.222 63.352 63.100 0.051 0.000 0.759 83 P CB 0.350 32.073 31.700 0.038 0.000 0.772 84 A N 3.383 126.225 122.820 0.036 0.000 2.194 84 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 84 A C 2.520 180.112 177.584 0.013 0.000 1.162 84 A CA 1.894 53.945 52.037 0.023 0.000 0.674 84 A CB -1.147 17.861 19.000 0.013 0.000 0.789 84 A HN 0.601 nan 8.150 nan 0.000 0.470 85 S N -0.833 114.876 115.700 0.015 0.000 2.383 85 S HA -0.054 4.415 4.470 -0.001 0.000 0.227 85 S C 1.117 175.720 174.600 0.006 0.000 1.026 85 S CA 1.549 59.755 58.200 0.009 0.000 0.981 85 S CB -0.445 62.762 63.200 0.012 0.000 0.818 85 S HN 1.118 nan 8.310 nan 0.000 0.472 86 L N 0.633 121.864 121.223 0.013 0.000 2.999 86 L HA 0.663 5.002 4.340 -0.001 0.000 0.263 86 L C -0.164 176.708 176.870 0.003 0.000 1.320 86 L CA -0.737 54.105 54.840 0.003 0.000 0.913 86 L CB -1.085 40.981 42.059 0.012 0.000 1.296 86 L HN 0.120 nan 8.230 nan 0.000 0.546 87 R N 0.362 120.861 120.500 -0.002 0.000 2.540 87 R HA 0.490 4.830 4.340 -0.001 0.000 0.287 87 R C -1.610 174.655 176.300 -0.058 0.000 0.980 87 R CA -1.843 54.258 56.100 0.002 0.000 0.966 87 R CB 2.008 32.323 30.300 0.025 0.000 1.106 87 R HN 0.068 nan 8.270 nan 0.000 0.480 88 P HA -0.248 nan 4.420 nan 0.000 0.217 88 P C 0.318 177.561 177.300 -0.094 0.000 1.158 88 P CA 1.530 64.524 63.100 -0.176 0.000 0.887 88 P CB 0.344 31.925 31.700 -0.198 0.000 0.792 89 E N -0.479 119.693 120.200 -0.047 0.000 2.058 89 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 89 E C 2.042 178.623 176.600 -0.031 0.000 0.997 89 E CA 1.373 57.754 56.400 -0.031 0.000 0.801 89 E CB -1.210 28.478 29.700 -0.019 0.000 0.746 89 E HN 0.062 nan 8.360 nan 0.000 0.450 90 K N 0.177 120.558 120.400 -0.030 0.000 2.103 90 K HA -0.094 4.225 4.320 -0.001 0.000 0.207 90 K C 2.240 178.827 176.600 -0.022 0.000 1.048 90 K CA 1.378 57.652 56.287 -0.022 0.000 0.930 90 K CB -1.168 31.321 32.500 -0.019 0.000 0.716 90 K HN 0.421 nan 8.250 nan 0.000 0.444 91 G N 0.123 108.899 108.800 -0.041 0.000 2.448 91 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.219 91 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.219 91 G C 1.386 176.271 174.900 -0.026 0.000 1.127 91 G CA 0.974 46.050 45.100 -0.040 0.000 0.766 91 G HN 0.431 nan 8.290 nan 0.000 0.552 92 L N 0.230 121.437 121.223 -0.026 0.000 2.127 92 L HA 0.297 4.637 4.340 -0.001 0.000 0.203 92 L C 2.673 179.545 176.870 0.003 0.000 1.080 92 L CA 1.044 55.875 54.840 -0.014 0.000 0.768 92 L CB -0.451 41.596 42.059 -0.020 0.000 0.924 92 L HN 0.156 nan 8.230 nan 0.000 0.444 93 L N -0.673 120.554 121.223 0.008 0.000 2.042 93 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 93 L C 2.491 179.387 176.870 0.042 0.000 1.076 93 L CA 1.379 56.238 54.840 0.032 0.000 0.749 93 L CB -1.506 40.569 42.059 0.027 0.000 0.893 93 L HN 0.459 nan 8.230 nan 0.000 0.432 94 G N 0.246 109.062 108.800 0.027 0.000 2.418 94 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 94 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 94 G C 1.581 176.500 174.900 0.031 0.000 1.158 94 G CA 0.709 45.826 45.100 0.029 0.000 0.771 94 G HN 0.228 nan 8.290 nan 0.000 0.545 95 L N 0.737 121.974 121.223 0.024 0.000 2.083 95 L HA 0.056 4.395 4.340 -0.001 0.000 0.209 95 L C 2.717 179.612 176.870 0.042 0.000 1.083 95 L CA 2.221 57.080 54.840 0.032 0.000 0.752 95 L CB -0.558 41.515 42.059 0.024 0.000 0.899 95 L HN 0.297 nan 8.230 nan 0.000 0.433 96 R N -0.420 120.101 120.500 0.036 0.000 2.070 96 R HA -0.169 4.170 4.340 -0.001 0.000 0.233 96 R C 2.270 178.598 176.300 0.048 0.000 1.137 96 R CA 1.798 57.919 56.100 0.035 0.000 0.945 96 R CB -0.162 30.161 30.300 0.039 0.000 0.845 96 R HN 0.349 nan 8.270 nan 0.000 0.430 97 K N 0.161 120.594 120.400 0.056 0.000 1.985 97 K HA -0.203 4.116 4.320 -0.001 0.000 0.210 97 K C 2.079 178.705 176.600 0.043 0.000 1.047 97 K CA 1.701 58.020 56.287 0.053 0.000 0.932 97 K CB -0.261 32.276 32.500 0.063 0.000 0.716 97 K HN 0.111 nan 8.250 nan 0.000 0.439 98 E N 0.579 120.803 120.200 0.039 0.000 2.273 98 E HA -0.172 4.177 4.350 -0.001 0.000 0.198 98 E C 1.433 178.052 176.600 0.032 0.000 1.002 98 E CA 1.314 57.731 56.400 0.030 0.000 0.828 98 E CB 0.102 29.817 29.700 0.026 0.000 0.747 98 E HN 0.152 nan 8.360 nan 0.000 0.491 99 M N -1.548 118.087 119.600 0.059 0.000 2.382 99 M HA 0.299 4.779 4.480 -0.001 0.000 0.247 99 M C 1.216 177.567 176.300 0.084 0.000 1.104 99 M CA 0.802 56.157 55.300 0.093 0.000 1.030 99 M CB -0.259 32.472 32.600 0.218 0.000 1.424 99 M HN 0.199 nan 8.290 nan 0.000 0.486 100 G N 2.351 111.189 108.800 0.063 0.000 2.295 100 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.287 100 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.287 100 G C -0.135 174.799 174.900 0.056 0.000 1.055 100 G CA -0.070 45.075 45.100 0.076 0.000 0.922 100 G HN 0.447 nan 8.290 nan 0.000 0.503 101 L N -0.079 121.142 121.223 -0.004 0.000 2.281 101 L HA 0.541 4.880 4.340 -0.001 0.000 0.285 101 L C 1.555 178.370 176.870 -0.092 0.000 1.074 101 L CA -0.854 53.892 54.840 -0.157 0.000 0.817 101 L CB 0.413 42.391 42.059 -0.136 0.000 1.168 101 L HN 0.293 nan 8.230 nan 0.000 0.434 102 F N 0.671 120.617 119.950 -0.007 0.000 2.727 102 F HA 0.566 5.093 4.527 -0.001 0.000 0.302 102 F C 0.717 176.525 175.800 0.012 0.000 1.107 102 F CA -0.768 57.230 58.000 -0.003 0.000 1.277 102 F CB -0.072 38.925 39.000 -0.006 0.000 1.079 102 F HN 0.281 nan 8.300 nan 0.000 0.594 103 A N 1.316 124.060 122.820 -0.126 0.000 2.324 103 A HA 0.621 4.941 4.320 -0.001 0.000 0.330 103 A C -1.162 176.379 177.584 -0.071 0.000 1.165 103 A CA -0.561 51.478 52.037 0.004 0.000 0.813 103 A CB 0.550 19.526 19.000 -0.041 0.000 1.197 103 A HN 0.326 nan 8.150 nan 0.000 0.484 104 N N 1.472 120.169 118.700 -0.004 0.000 2.483 104 N HA 0.513 5.252 4.740 -0.001 0.000 0.267 104 N C -1.799 173.703 175.510 -0.013 0.000 0.998 104 N CA -0.317 52.720 53.050 -0.022 0.000 0.918 104 N CB 0.753 39.252 38.487 0.020 0.000 1.215 104 N HN 0.388 nan 8.380 nan 0.000 0.500 105 L N 3.497 124.703 121.223 -0.029 0.000 2.264 105 L HA 0.509 4.848 4.340 -0.001 0.000 0.289 105 L C 0.308 177.205 176.870 0.045 0.000 1.044 105 L CA -0.172 54.672 54.840 0.006 0.000 0.807 105 L CB 1.016 43.084 42.059 0.015 0.000 1.192 105 L HN 0.419 nan 8.230 nan 0.000 0.425 106 R N 4.354 124.878 120.500 0.040 0.000 2.724 106 R HA 0.326 4.665 4.340 -0.001 0.000 0.284 106 R C -2.509 173.821 176.300 0.051 0.000 1.481 106 R CA -1.725 54.402 56.100 0.045 0.000 1.652 106 R CB 0.769 31.085 30.300 0.028 0.000 1.175 106 R HN 0.344 nan 8.270 nan 0.000 0.613 107 P HA 0.060 nan 4.420 nan 0.000 0.268 107 P C -0.304 177.033 177.300 0.061 0.000 1.205 107 P CA -0.068 63.077 63.100 0.075 0.000 0.771 107 P CB 1.310 33.074 31.700 0.107 0.000 0.858 108 V N 3.923 123.863 119.914 0.043 0.000 2.462 108 V HA 0.309 4.428 4.120 -0.001 0.000 0.288 108 V C 0.255 176.353 176.094 0.007 0.000 1.020 108 V CA -0.467 61.856 62.300 0.038 0.000 0.857 108 V CB 1.295 33.138 31.823 0.033 0.000 1.013 108 V HN 0.653 nan 8.190 nan 0.000 0.431 109 K N 3.685 124.064 120.400 -0.034 0.000 2.385 109 K HA 0.963 5.283 4.320 -0.001 0.000 0.248 109 K C -0.431 176.017 176.600 -0.253 0.000 0.955 109 K CA -0.664 55.536 56.287 -0.144 0.000 0.816 109 K CB 2.625 34.999 32.500 -0.211 0.000 1.250 109 K HN 0.592 nan 8.250 nan 0.000 0.434 110 A N 1.846 124.525 122.820 -0.235 0.000 2.340 110 A HA 0.448 4.767 4.320 -0.001 0.000 0.268 110 A C -1.396 175.973 177.584 -0.358 0.000 1.100 110 A CA -0.389 51.539 52.037 -0.181 0.000 0.803 110 A CB -0.113 18.845 19.000 -0.071 0.000 1.043 110 A HN 0.618 nan 8.150 nan 0.000 0.488 111 Y N 1.003 121.315 120.300 0.021 0.000 2.326 111 Y HA 0.454 5.003 4.550 -0.001 0.000 0.329 111 Y C 1.248 177.156 175.900 0.014 0.000 0.973 111 Y CA 0.030 58.141 58.100 0.019 0.000 1.162 111 Y CB 1.749 40.222 38.460 0.021 0.000 1.147 111 Y HN 0.861 nan 8.280 nan 0.000 0.456 112 A N 1.606 124.510 122.820 0.139 0.000 1.909 112 A HA -0.324 3.995 4.320 -0.001 0.000 0.221 112 A C 2.139 179.768 177.584 0.075 0.000 1.223 112 A CA 2.983 55.069 52.037 0.082 0.000 0.658 112 A CB -1.202 17.836 19.000 0.063 0.000 0.831 112 A HN 0.838 nan 8.150 nan 0.000 0.462 113 T N -2.920 111.684 114.554 0.083 0.000 3.160 113 T HA 0.300 4.649 4.350 -0.001 0.000 0.257 113 T C 1.236 175.964 174.700 0.046 0.000 1.147 113 T CA 0.997 63.123 62.100 0.045 0.000 1.064 113 T CB -0.168 68.710 68.868 0.017 0.000 0.949 113 T HN 0.311 nan 8.240 nan 0.000 0.526 114 L N -0.235 121.039 121.223 0.084 0.000 2.664 114 L HA 0.401 4.741 4.340 -0.001 0.000 0.233 114 L C 2.098 179.008 176.870 0.066 0.000 1.113 114 L CA -0.064 54.822 54.840 0.076 0.000 0.896 114 L CB -0.097 42.033 42.059 0.118 0.000 1.163 114 L HN 0.230 nan 8.230 nan 0.000 0.497 115 L N -0.024 121.235 121.223 0.061 0.000 2.012 115 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 115 L C 2.171 179.060 176.870 0.031 0.000 1.073 115 L CA 1.282 56.148 54.840 0.044 0.000 0.748 115 L CB -0.669 41.410 42.059 0.035 0.000 0.891 115 L HN 0.418 nan 8.230 nan 0.000 0.431 116 N N 0.513 119.227 118.700 0.025 0.000 2.137 116 N HA -0.192 4.547 4.740 -0.001 0.000 0.190 116 N C 1.800 177.321 175.510 0.018 0.000 1.017 116 N CA 1.672 54.732 53.050 0.017 0.000 0.859 116 N CB -0.392 38.102 38.487 0.011 0.000 1.002 116 N HN 0.360 nan 8.380 nan 0.000 0.428 117 A N 0.300 123.133 122.820 0.022 0.000 2.067 117 A HA -0.014 4.305 4.320 -0.001 0.000 0.219 117 A C 1.377 178.976 177.584 0.026 0.000 1.158 117 A CA 0.354 52.404 52.037 0.022 0.000 0.661 117 A CB -0.407 18.607 19.000 0.024 0.000 0.801 117 A HN 0.276 nan 8.150 nan 0.000 0.452 118 S N 0.003 115.722 115.700 0.031 0.000 2.568 118 S HA 0.222 4.691 4.470 -0.001 0.000 0.282 118 S C -1.393 173.222 174.600 0.024 0.000 1.338 118 S CA -0.734 57.486 58.200 0.032 0.000 1.045 118 S CB 0.695 63.916 63.200 0.034 0.000 0.873 118 S HN 0.195 nan 8.310 nan 0.000 0.516 119 P HA 0.194 nan 4.420 nan 0.000 0.231 119 P C -0.312 176.999 177.300 0.017 0.000 1.168 119 P CA 0.480 63.592 63.100 0.019 0.000 0.779 119 P CB 0.108 31.819 31.700 0.019 0.000 0.844 120 L N -0.189 121.046 121.223 0.020 0.000 2.399 120 L HA 0.272 4.611 4.340 -0.001 0.000 0.265 120 L C 0.790 177.669 176.870 0.016 0.000 1.089 120 L CA -1.019 53.832 54.840 0.018 0.000 0.802 120 L CB 0.753 42.825 42.059 0.021 0.000 1.180 120 L HN -0.186 nan 8.230 nan 0.000 0.454 121 K N 1.038 121.446 120.400 0.013 0.000 2.355 121 K HA 0.040 4.360 4.320 -0.001 0.000 0.270 121 K C 0.948 177.555 176.600 0.011 0.000 1.003 121 K CA -0.141 56.152 56.287 0.011 0.000 0.957 121 K CB 0.882 33.386 32.500 0.008 0.000 0.939 121 K HN 0.478 nan 8.250 nan 0.000 0.482 122 R N 2.165 122.671 120.500 0.011 0.000 2.133 122 R HA -0.295 4.044 4.340 -0.001 0.000 0.245 122 R C 1.320 177.624 176.300 0.008 0.000 1.137 122 R CA 2.443 58.549 56.100 0.011 0.000 0.947 122 R CB -0.019 30.286 30.300 0.009 0.000 0.865 122 R HN 0.636 nan 8.270 nan 0.000 0.437 123 E N -0.197 120.006 120.200 0.005 0.000 2.085 123 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 123 E C 2.100 178.701 176.600 0.001 0.000 0.994 123 E CA 1.264 57.665 56.400 0.002 0.000 0.801 123 E CB -0.157 29.543 29.700 0.000 0.000 0.743 123 E HN 0.279 nan 8.360 nan 0.000 0.453 124 R N 0.190 120.693 120.500 0.005 0.000 2.092 124 R HA 0.006 4.345 4.340 -0.001 0.000 0.231 124 R C 2.233 178.540 176.300 0.011 0.000 1.119 124 R CA 0.987 57.091 56.100 0.007 0.000 0.970 124 R CB -0.635 29.672 30.300 0.011 0.000 0.864 124 R HN 0.238 nan 8.270 nan 0.000 0.440 125 V N 1.898 121.820 119.914 0.013 0.000 3.621 125 V HA -0.041 4.078 4.120 -0.001 0.000 0.263 125 V C 2.077 178.175 176.094 0.006 0.000 1.272 125 V CA 0.650 62.959 62.300 0.015 0.000 1.080 125 V CB -0.007 31.829 31.823 0.022 0.000 0.816 125 V HN 0.357 nan 8.190 nan 0.000 0.451 126 E N 0.250 120.452 120.200 0.003 0.000 2.284 126 E HA -0.271 4.078 4.350 -0.001 0.000 0.200 126 E C 0.807 177.398 176.600 -0.015 0.000 1.008 126 E CA 1.840 58.238 56.400 -0.003 0.000 0.829 126 E CB -0.292 29.407 29.700 -0.000 0.000 0.744 126 E HN 0.634 nan 8.360 nan 0.000 0.491 127 N N 0.685 119.376 118.700 -0.015 0.000 2.200 127 N HA 0.123 4.862 4.740 -0.001 0.000 0.224 127 N C -0.685 174.812 175.510 -0.022 0.000 1.179 127 N CA -0.087 52.949 53.050 -0.022 0.000 0.877 127 N CB 1.391 39.867 38.487 -0.018 0.000 1.072 127 N HN -0.040 nan 8.380 nan 0.000 0.519 128 V N 1.823 121.728 119.914 -0.015 0.000 2.617 128 V HA -0.020 4.100 4.120 -0.001 0.000 0.304 128 V C 0.450 176.531 176.094 -0.023 0.000 1.040 128 V CA 0.687 62.987 62.300 0.000 0.000 1.149 128 V CB 0.675 32.506 31.823 0.013 0.000 0.914 128 V HN 0.157 nan 8.190 nan 0.000 0.487 129 D N 3.950 124.352 120.400 0.003 0.000 2.934 129 D HA 0.323 4.962 4.640 -0.001 0.000 0.249 129 D C -0.860 175.459 176.300 0.032 0.000 1.293 129 D CA -0.428 53.568 54.000 -0.006 0.000 0.812 129 D CB 0.511 41.299 40.800 -0.019 0.000 1.439 129 D HN 0.346 nan 8.370 nan 0.000 0.555 130 L N -1.003 120.247 121.223 0.045 0.000 2.260 130 L HA 0.956 5.295 4.340 -0.001 0.000 0.265 130 L C -0.820 176.074 176.870 0.040 0.000 1.015 130 L CA -1.040 53.837 54.840 0.062 0.000 0.826 130 L CB 1.493 43.608 42.059 0.094 0.000 1.373 130 L HN -0.132 nan 8.230 nan 0.000 0.450 131 V N 0.945 120.875 119.914 0.026 0.000 2.711 131 V HA 0.469 4.589 4.120 -0.001 0.000 0.304 131 V C -0.563 175.521 176.094 -0.017 0.000 1.097 131 V CA -0.263 62.050 62.300 0.020 0.000 0.906 131 V CB 1.641 33.488 31.823 0.039 0.000 1.015 131 V HN 0.679 nan 8.190 nan 0.000 0.427 132 I N 4.383 124.940 120.570 -0.022 0.000 2.321 132 I HA 0.452 4.621 4.170 -0.001 0.000 0.291 132 I C -0.449 175.661 176.117 -0.012 0.000 0.998 132 I CA -0.794 60.482 61.300 -0.041 0.000 1.227 132 I CB 1.949 39.917 38.000 -0.053 0.000 1.368 132 I HN 0.317 nan 8.210 nan 0.000 0.466 133 V N 7.408 127.318 119.914 -0.006 0.000 2.370 133 V HA 0.399 4.518 4.120 -0.001 0.000 0.279 133 V C 0.195 176.329 176.094 0.066 0.000 1.029 133 V CA -0.588 61.723 62.300 0.019 0.000 0.870 133 V CB 1.334 33.164 31.823 0.011 0.000 0.984 133 V HN 0.667 nan 8.190 nan 0.000 0.451 134 R N 3.468 124.014 120.500 0.078 0.000 2.445 134 R HA 0.350 4.689 4.340 -0.001 0.000 0.308 134 R C -0.286 176.113 176.300 0.166 0.000 0.961 134 R CA -0.648 55.520 56.100 0.112 0.000 0.862 134 R CB 1.356 31.713 30.300 0.094 0.000 1.144 134 R HN 0.705 nan 8.270 nan 0.000 0.447 135 E N 4.892 125.223 120.200 0.218 0.000 2.324 135 E HA 0.011 4.361 4.350 -0.001 0.000 0.271 135 E C 0.246 176.994 176.600 0.246 0.000 1.028 135 E CA 0.181 56.750 56.400 0.282 0.000 0.890 135 E CB 1.035 30.966 29.700 0.385 0.000 1.004 135 E HN 0.683 nan 8.360 nan 0.000 0.431 136 L N 2.807 124.167 121.223 0.229 0.000 2.316 136 L HA -0.043 4.296 4.340 -0.001 0.000 0.207 136 L C 2.401 179.345 176.870 0.123 0.000 1.070 136 L CA 1.065 56.030 54.840 0.209 0.000 0.820 136 L CB -0.307 41.851 42.059 0.164 0.000 0.992 136 L HN 0.558 nan 8.230 nan 0.000 0.466 137 T N -2.312 112.215 114.554 -0.046 0.000 2.904 137 T HA 0.073 4.422 4.350 -0.001 0.000 0.267 137 T C 1.036 175.285 174.700 -0.751 0.000 1.059 137 T CA 0.704 62.519 62.100 -0.475 0.000 1.137 137 T CB -0.272 68.450 68.868 -0.243 0.000 0.879 137 T HN 0.257 nan 8.240 nan 0.000 0.467 138 G N -0.639 107.947 108.800 -0.357 0.000 2.971 138 G HA2 0.623 4.582 3.960 -0.001 0.000 0.235 138 G HA3 0.623 4.582 3.960 -0.001 0.000 0.235 138 G C 0.266 174.817 174.900 -0.581 0.000 1.351 138 G CA -0.389 44.322 45.100 -0.648 0.000 1.039 138 G HN 1.141 nan 8.290 nan 0.000 0.563 139 G N -2.028 106.158 108.800 -1.024 0.000 2.610 139 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.304 139 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.304 139 G C 0.811 175.563 174.900 -0.247 0.000 1.309 139 G CA -0.045 44.756 45.100 -0.498 0.000 0.906 139 G HN 0.981 nan 8.290 nan 0.000 0.521 140 L N -0.539 120.520 121.223 -0.273 0.000 2.127 140 L HA -0.085 4.254 4.340 -0.001 0.000 0.211 140 L C 2.720 179.573 176.870 -0.028 0.000 1.089 140 L CA 1.580 56.319 54.840 -0.167 0.000 0.757 140 L CB -0.385 41.554 42.059 -0.200 0.000 0.899 140 L HN 0.612 nan 8.230 nan 0.000 0.434 141 Y N -1.677 118.579 120.300 -0.073 0.000 2.497 141 Y HA -0.145 4.404 4.550 -0.001 0.000 0.292 141 Y C 1.834 177.474 175.900 -0.433 0.000 1.137 141 Y CA 0.601 58.560 58.100 -0.234 0.000 1.285 141 Y CB -0.638 37.653 38.460 -0.282 0.000 0.991 141 Y HN 0.129 nan 8.280 nan 0.000 0.556 142 F N -1.516 118.452 119.950 0.030 0.000 2.740 142 F HA 0.381 4.908 4.527 -0.001 0.000 0.304 142 F C 1.795 177.566 175.800 -0.048 0.000 1.098 142 F CA -0.394 57.596 58.000 -0.017 0.000 1.258 142 F CB -0.247 38.720 39.000 -0.054 0.000 1.061 142 F HN -0.190 nan 8.300 nan 0.000 0.598 143 G N 2.566 111.417 108.800 0.085 0.000 2.272 143 G HA2 0.288 4.248 3.960 -0.001 0.000 0.247 143 G HA3 0.288 4.248 3.960 -0.001 0.000 0.247 143 G C -0.078 174.833 174.900 0.018 0.000 1.272 143 G CA -0.241 44.871 45.100 0.019 0.000 0.921 143 G HN -0.080 nan 8.290 nan 0.000 0.495 144 R N 2.724 123.234 120.500 0.017 0.000 2.740 144 R HA 0.475 4.815 4.340 -0.001 0.000 0.282 144 R C -1.984 174.320 176.300 0.007 0.000 0.969 144 R CA -1.866 54.241 56.100 0.013 0.000 0.918 144 R CB 1.591 31.902 30.300 0.018 0.000 1.175 144 R HN 0.469 nan 8.270 nan 0.000 0.464 145 P HA 0.072 nan 4.420 nan 0.000 0.274 145 P C -0.535 176.767 177.300 0.004 0.000 1.264 145 P CA -0.183 62.920 63.100 0.005 0.000 0.795 145 P CB 0.668 32.371 31.700 0.004 0.000 1.064 146 S N -0.569 115.132 115.700 0.002 0.000 2.508 146 S HA 0.282 4.751 4.470 -0.001 0.000 0.182 146 S C -1.074 173.526 174.600 -0.000 0.000 0.683 146 S CA -0.645 57.556 58.200 0.001 0.000 0.912 146 S CB -0.510 62.690 63.200 -0.001 0.000 1.441 146 S HN 0.760 nan 8.310 nan 0.000 0.414 147 E N 2.861 123.061 120.200 0.001 0.000 2.432 147 E HA 0.456 4.805 4.350 -0.001 0.000 0.279 147 E C -1.284 175.317 176.600 0.001 0.000 1.099 147 E CA -1.021 55.379 56.400 -0.000 0.000 0.859 147 E CB 0.550 30.250 29.700 0.000 0.000 1.402 147 E HN 0.340 nan 8.360 nan 0.000 0.451 148 R N 0.703 121.204 120.500 0.001 0.000 2.583 148 R HA 0.574 4.913 4.340 -0.001 0.000 0.268 148 R C 0.021 176.322 176.300 0.002 0.000 1.101 148 R CA -0.432 55.669 56.100 0.001 0.000 1.180 148 R CB -0.031 30.269 30.300 0.001 0.000 1.128 148 R HN 0.543 nan 8.270 nan 0.000 0.568 149 R N -0.684 119.817 120.500 0.002 0.000 2.508 149 R HA 0.280 4.620 4.340 -0.001 0.000 0.283 149 R C -0.012 176.289 176.300 0.002 0.000 1.120 149 R CA -0.475 55.626 56.100 0.002 0.000 0.958 149 R CB 2.124 32.425 30.300 0.003 0.000 1.215 149 R HN 0.846 nan 8.270 nan 0.000 0.427 150 G N 3.161 111.962 108.800 0.002 0.000 2.855 150 G HA2 0.033 3.993 3.960 -0.001 0.000 0.248 150 G HA3 0.033 3.993 3.960 -0.001 0.000 0.248 150 G C -1.940 172.961 174.900 0.002 0.000 1.243 150 G CA -0.542 44.559 45.100 0.002 0.000 0.881 150 G HN 0.350 nan 8.290 nan 0.000 0.598 151 P HA 0.233 nan 4.420 nan 0.000 0.276 151 P C 0.636 177.938 177.300 0.002 0.000 1.235 151 P CA 0.905 64.006 63.100 0.002 0.000 0.772 151 P CB 1.035 32.736 31.700 0.002 0.000 0.871 152 G N 2.932 111.733 108.800 0.002 0.000 2.153 152 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.252 152 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.252 152 G C 0.313 175.214 174.900 0.002 0.000 0.994 152 G CA 0.370 45.471 45.100 0.001 0.000 0.698 152 G HN 0.631 nan 8.290 nan 0.000 0.521 153 E N -1.302 118.899 120.200 0.002 0.000 2.328 153 E HA -0.239 4.111 4.350 -0.001 0.000 0.233 153 E C 0.473 177.074 176.600 0.002 0.000 1.219 153 E CA 0.609 57.010 56.400 0.002 0.000 0.717 153 E CB -1.082 28.619 29.700 0.001 0.000 1.210 153 E HN 0.659 nan 8.360 nan 0.000 0.381 154 N N 1.103 119.805 118.700 0.002 0.000 2.362 154 N HA 0.042 4.781 4.740 -0.001 0.000 0.211 154 N C -0.281 175.231 175.510 0.003 0.000 1.170 154 N CA 0.585 53.637 53.050 0.003 0.000 0.828 154 N CB 0.385 38.874 38.487 0.003 0.000 1.034 154 N HN 0.422 nan 8.380 nan 0.000 0.475 155 E N -0.079 120.123 120.200 0.003 0.000 2.340 155 E HA 0.489 4.839 4.350 -0.001 0.000 0.273 155 E C -1.371 175.231 176.600 0.004 0.000 0.891 155 E CA -0.695 55.707 56.400 0.004 0.000 0.757 155 E CB 3.223 32.925 29.700 0.004 0.000 1.231 155 E HN -0.201 nan 8.360 nan 0.000 0.439 156 V N 1.949 121.866 119.914 0.004 0.000 3.007 156 V HA 0.754 4.874 4.120 -0.001 0.000 0.311 156 V C -1.527 174.570 176.094 0.005 0.000 1.120 156 V CA -0.586 61.716 62.300 0.004 0.000 0.980 156 V CB 2.147 33.973 31.823 0.004 0.000 1.033 156 V HN 0.538 nan 8.190 nan 0.000 0.429 157 V N 1.375 121.291 119.914 0.004 0.000 3.012 157 V HA 0.797 4.917 4.120 -0.001 0.000 0.307 157 V C -1.591 174.505 176.094 0.004 0.000 1.166 157 V CA -0.568 61.734 62.300 0.004 0.000 0.974 157 V CB 2.289 34.114 31.823 0.004 0.000 1.040 157 V HN 0.856 nan 8.190 nan 0.000 0.428 158 D N 1.456 121.859 120.400 0.004 0.000 2.738 158 D HA 0.630 5.269 4.640 -0.001 0.000 0.237 158 D C -0.980 175.317 176.300 -0.004 0.000 1.123 158 D CA -0.166 53.836 54.000 0.003 0.000 0.856 158 D CB 2.667 43.472 40.800 0.009 0.000 1.552 158 D HN 0.806 nan 8.370 nan 0.000 0.480 159 T N 1.715 116.264 114.554 -0.007 0.000 2.779 159 T HA 0.231 4.580 4.350 -0.001 0.000 0.280 159 T C -0.212 174.468 174.700 -0.033 0.000 0.987 159 T CA -0.627 61.465 62.100 -0.013 0.000 0.966 159 T CB 1.232 70.096 68.868 -0.007 0.000 0.933 159 T HN 0.078 nan 8.240 nan 0.000 0.442 160 L N 4.181 125.383 121.223 -0.035 0.000 2.261 160 L HA 0.728 5.067 4.340 -0.001 0.000 0.289 160 L C -0.273 176.578 176.870 -0.032 0.000 1.059 160 L CA -0.639 54.167 54.840 -0.055 0.000 0.816 160 L CB -0.659 41.377 42.059 -0.039 0.000 1.191 160 L HN 0.812 nan 8.230 nan 0.000 0.431 161 A N 5.362 128.117 122.820 -0.107 0.000 2.355 161 A HA 0.772 5.091 4.320 -0.001 0.000 0.317 161 A C -1.772 175.673 177.584 -0.232 0.000 1.094 161 A CA -0.375 51.606 52.037 -0.093 0.000 0.764 161 A CB 1.114 20.067 19.000 -0.078 0.000 1.230 161 A HN 0.646 nan 8.150 nan 0.000 0.448 162 Y N -0.383 119.916 120.300 -0.002 0.000 2.581 162 Y HA 0.591 5.140 4.550 -0.001 0.000 0.337 162 Y C 0.504 176.396 175.900 -0.013 0.000 1.108 162 Y CA -0.116 57.983 58.100 -0.002 0.000 1.033 162 Y CB 2.533 41.012 38.460 0.031 0.000 1.318 162 Y HN 0.874 nan 8.280 nan 0.000 0.459 163 T N -1.400 113.270 114.554 0.194 0.000 2.940 163 T HA 0.377 4.726 4.350 -0.001 0.000 0.288 163 T C 0.875 175.601 174.700 0.044 0.000 1.033 163 T CA -0.837 61.308 62.100 0.074 0.000 1.033 163 T CB 1.923 70.801 68.868 0.017 0.000 1.079 163 T HN 0.808 nan 8.240 nan 0.000 0.496 164 R N 0.364 120.861 120.500 -0.003 0.000 2.105 164 R HA -0.117 4.222 4.340 -0.001 0.000 0.239 164 R C 2.002 178.250 176.300 -0.086 0.000 1.135 164 R CA 1.425 57.497 56.100 -0.047 0.000 0.967 164 R CB -0.237 30.037 30.300 -0.044 0.000 0.861 164 R HN 0.749 nan 8.270 nan 0.000 0.442 165 E N 0.917 121.071 120.200 -0.077 0.000 2.051 165 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 165 E C 1.720 178.214 176.600 -0.176 0.000 0.991 165 E CA 1.607 57.937 56.400 -0.117 0.000 0.799 165 E CB 0.001 29.644 29.700 -0.096 0.000 0.748 165 E HN 0.517 nan 8.360 nan 0.000 0.449 166 E N 0.320 120.449 120.200 -0.119 0.000 2.017 166 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 166 E C 2.369 178.860 176.600 -0.182 0.000 0.997 166 E CA 1.213 57.541 56.400 -0.119 0.000 0.804 166 E CB -0.229 29.532 29.700 0.101 0.000 0.757 166 E HN 0.278 nan 8.360 nan 0.000 0.448 167 I N 1.234 121.694 120.570 -0.183 0.000 2.286 167 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 167 I C 2.395 178.224 176.117 -0.480 0.000 1.115 167 I CA 1.198 62.239 61.300 -0.433 0.000 1.392 167 I CB -0.338 37.406 38.000 -0.427 0.000 1.065 167 I HN 0.147 nan 8.210 nan 0.000 0.418 168 E N 1.045 121.055 120.200 -0.318 0.000 2.017 168 E HA -0.250 4.099 4.350 -0.001 0.000 0.193 168 E C 2.314 178.767 176.600 -0.245 0.000 0.997 168 E CA 1.482 57.728 56.400 -0.258 0.000 0.804 168 E CB -0.152 29.443 29.700 -0.175 0.000 0.757 168 E HN 0.518 nan 8.360 nan 0.000 0.448 169 R N 0.715 121.036 120.500 -0.298 0.000 2.105 169 R HA -0.157 4.182 4.340 -0.001 0.000 0.239 169 R C 2.275 178.408 176.300 -0.278 0.000 1.135 169 R CA 1.401 57.296 56.100 -0.342 0.000 0.967 169 R CB -0.575 29.333 30.300 -0.653 0.000 0.861 169 R HN 0.136 nan 8.270 nan 0.000 0.442 170 I N 1.661 122.044 120.570 -0.312 0.000 2.202 170 I HA -0.147 4.022 4.170 -0.001 0.000 0.242 170 I C 2.192 178.271 176.117 -0.062 0.000 1.091 170 I CA 0.933 62.196 61.300 -0.062 0.000 1.368 170 I CB -0.148 37.851 38.000 -0.002 0.000 1.058 170 I HN 0.190 nan 8.210 nan 0.000 0.410 171 I N 0.178 120.618 120.570 -0.216 0.000 2.226 171 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 171 I C 2.442 178.581 176.117 0.036 0.000 1.100 171 I CA 1.279 62.486 61.300 -0.155 0.000 1.374 171 I CB -0.585 37.249 38.000 -0.276 0.000 1.057 171 I HN 0.289 nan 8.210 nan 0.000 0.413 172 E N 0.958 121.171 120.200 0.023 0.000 2.118 172 E HA -0.287 4.062 4.350 -0.001 0.000 0.195 172 E C 2.038 178.658 176.600 0.033 0.000 0.992 172 E CA 1.416 57.858 56.400 0.070 0.000 0.804 172 E CB 0.036 29.762 29.700 0.043 0.000 0.741 172 E HN 0.221 nan 8.360 nan 0.000 0.458 173 K N 0.440 120.865 120.400 0.042 0.000 2.062 173 K HA 0.014 4.333 4.320 -0.001 0.000 0.205 173 K C 1.848 178.410 176.600 -0.064 0.000 1.051 173 K CA 1.270 57.573 56.287 0.027 0.000 0.941 173 K CB -0.486 32.087 32.500 0.123 0.000 0.719 173 K HN 0.069 nan 8.250 nan 0.000 0.440 174 A N -0.288 122.482 122.820 -0.083 0.000 1.940 174 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 174 A C 2.082 179.500 177.584 -0.277 0.000 1.176 174 A CA 1.492 53.424 52.037 -0.176 0.000 0.631 174 A CB -0.838 18.042 19.000 -0.200 0.000 0.814 174 A HN 0.331 nan 8.150 nan 0.000 0.446 175 F N 0.073 119.828 119.950 -0.325 0.000 2.146 175 F HA -0.157 4.369 4.527 -0.001 0.000 0.298 175 F C 2.770 178.259 175.800 -0.518 0.000 1.096 175 F CA 1.865 59.536 58.000 -0.549 0.000 1.275 175 F CB -0.484 37.850 39.000 -1.109 0.000 1.008 175 F HN 0.293 nan 8.300 nan 0.000 0.480 176 Q N -0.097 119.558 119.800 -0.243 0.000 2.096 176 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 176 Q C 2.397 178.369 176.000 -0.046 0.000 0.982 176 Q CA 1.438 57.196 55.803 -0.075 0.000 0.850 176 Q CB -0.462 28.272 28.738 -0.007 0.000 0.901 176 Q HN 0.448 nan 8.270 nan 0.000 0.422 177 L N 0.269 121.432 121.223 -0.102 0.000 1.994 177 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 177 L C 2.299 179.141 176.870 -0.046 0.000 1.071 177 L CA 1.452 56.229 54.840 -0.106 0.000 0.745 177 L CB -0.526 41.431 42.059 -0.170 0.000 0.892 177 L HN 0.239 nan 8.230 nan 0.000 0.431 178 A N -0.657 122.119 122.820 -0.073 0.000 1.933 178 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 178 A C 2.062 179.659 177.584 0.021 0.000 1.175 178 A CA 1.812 53.825 52.037 -0.040 0.000 0.628 178 A CB -0.566 18.373 19.000 -0.101 0.000 0.814 178 A HN 0.581 nan 8.150 nan 0.000 0.444 179 Q N 0.703 120.530 119.800 0.044 0.000 2.077 179 Q HA -0.178 4.162 4.340 -0.001 0.000 0.206 179 Q C 1.748 177.799 176.000 0.085 0.000 0.989 179 Q CA 2.372 58.237 55.803 0.103 0.000 0.853 179 Q CB -0.620 28.215 28.738 0.162 0.000 0.907 179 Q HN 0.839 nan 8.270 nan 0.000 0.418 180 I N -2.864 117.751 120.570 0.075 0.000 3.564 180 I HA 0.110 4.279 4.170 -0.001 0.000 0.294 180 I C 1.193 177.355 176.117 0.075 0.000 1.289 180 I CA 0.092 61.440 61.300 0.080 0.000 1.325 180 I CB 0.047 38.105 38.000 0.096 0.000 1.039 180 I HN -0.008 nan 8.210 nan 0.000 0.474 181 R N 1.493 122.031 120.500 0.063 0.000 1.866 181 R HA 0.414 4.753 4.340 -0.001 0.000 0.115 181 R C 0.829 177.156 176.300 0.045 0.000 1.738 181 R CA -0.642 55.493 56.100 0.057 0.000 1.723 181 R CB -0.028 30.303 30.300 0.052 0.000 1.274 181 R HN 0.087 nan 8.270 nan 0.000 0.535 182 R N 1.209 121.731 120.500 0.036 0.000 2.480 182 R HA 0.112 4.451 4.340 -0.001 0.000 0.277 182 R C -0.540 175.779 176.300 0.031 0.000 1.008 182 R CA -0.077 56.041 56.100 0.030 0.000 1.090 182 R CB 0.121 30.435 30.300 0.023 0.000 1.234 182 R HN 0.276 nan 8.270 nan 0.000 0.549 183 K N 1.293 121.717 120.400 0.040 0.000 3.311 183 K HA -0.227 4.093 4.320 -0.001 0.000 0.270 183 K C -0.680 175.942 176.600 0.037 0.000 0.927 183 K CA 1.010 57.328 56.287 0.052 0.000 0.706 183 K CB -0.883 31.656 32.500 0.064 0.000 1.418 183 K HN 0.186 nan 8.250 nan 0.000 0.459 184 K N 1.011 121.417 120.400 0.011 0.000 2.652 184 K HA 0.416 4.735 4.320 -0.001 0.000 0.249 184 K C -1.843 174.735 176.600 -0.037 0.000 0.986 184 K CA -0.928 55.357 56.287 -0.003 0.000 0.867 184 K CB 0.870 33.372 32.500 0.003 0.000 1.201 184 K HN 0.047 nan 8.250 nan 0.000 0.450 185 L N 3.602 124.772 121.223 -0.088 0.000 2.349 185 L HA 0.699 5.038 4.340 -0.001 0.000 0.278 185 L C -1.293 175.505 176.870 -0.120 0.000 0.996 185 L CA -0.233 54.507 54.840 -0.167 0.000 0.825 185 L CB 1.682 43.477 42.059 -0.440 0.000 1.243 185 L HN 0.675 nan 8.230 nan 0.000 0.412 186 A N 3.377 126.178 122.820 -0.031 0.000 2.249 186 A HA 0.627 4.946 4.320 -0.001 0.000 0.314 186 A C -0.205 177.388 177.584 0.014 0.000 1.290 186 A CA -0.326 51.727 52.037 0.027 0.000 0.893 186 A CB 0.589 19.715 19.000 0.209 0.000 1.165 186 A HN 0.739 nan 8.150 nan 0.000 0.530 187 S N 2.614 118.336 115.700 0.036 0.000 2.465 187 S HA 0.487 4.956 4.470 -0.001 0.000 0.279 187 S C -0.345 174.371 174.600 0.192 0.000 1.201 187 S CA -0.352 57.967 58.200 0.197 0.000 1.053 187 S CB 0.126 63.547 63.200 0.368 0.000 0.953 187 S HN 0.647 nan 8.310 nan 0.000 0.488 188 V N 5.995 125.961 119.914 0.087 0.000 2.398 188 V HA 0.579 4.698 4.120 -0.001 0.000 0.286 188 V C -0.306 175.689 176.094 -0.165 0.000 1.026 188 V CA -0.542 61.732 62.300 -0.043 0.000 0.868 188 V CB 1.393 33.146 31.823 -0.117 0.000 0.982 188 V HN 1.054 nan 8.190 nan 0.000 0.443 189 D N 3.763 124.080 120.400 -0.139 0.000 2.921 189 D HA 0.480 5.119 4.640 -0.001 0.000 0.329 189 D C -0.615 175.641 176.300 -0.074 0.000 1.293 189 D CA -0.830 53.109 54.000 -0.103 0.000 0.964 189 D CB 1.362 42.078 40.800 -0.139 0.000 1.435 189 D HN 0.203 nan 8.370 nan 0.000 0.548 190 K N -0.924 119.516 120.400 0.067 0.000 3.278 190 K HA 0.648 4.967 4.320 -0.001 0.000 0.200 190 K C 0.387 177.013 176.600 0.043 0.000 1.107 190 K CA 0.073 56.382 56.287 0.037 0.000 0.923 190 K CB 0.233 32.821 32.500 0.147 0.000 0.787 190 K HN 0.491 nan 8.250 nan 0.000 0.481 191 A N 0.721 123.552 122.820 0.020 0.000 2.131 191 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 191 A C 1.286 178.876 177.584 0.011 0.000 1.158 191 A CA 1.743 53.790 52.037 0.016 0.000 0.665 191 A CB -0.864 18.133 19.000 -0.005 0.000 0.795 191 A HN 0.770 nan 8.150 nan 0.000 0.460 192 N N -1.661 117.044 118.700 0.008 0.000 2.322 192 N HA 0.179 4.919 4.740 -0.001 0.000 0.194 192 N C 0.502 176.019 175.510 0.012 0.000 1.126 192 N CA 0.628 53.682 53.050 0.007 0.000 0.845 192 N CB 0.576 39.064 38.487 0.002 0.000 0.976 192 N HN 0.157 nan 8.380 nan 0.000 0.475 193 V N -0.431 119.496 119.914 0.021 0.000 3.155 193 V HA 0.201 4.320 4.120 -0.001 0.000 0.225 193 V C 0.183 176.295 176.094 0.030 0.000 1.462 193 V CA -0.075 62.241 62.300 0.025 0.000 1.270 193 V CB 0.376 32.217 31.823 0.030 0.000 1.112 193 V HN 0.138 nan 8.190 nan 0.000 0.479 194 L N 1.122 122.369 121.223 0.040 0.000 2.309 194 L HA 0.496 4.835 4.340 -0.001 0.000 0.282 194 L C 1.318 178.210 176.870 0.035 0.000 1.036 194 L CA -0.153 54.709 54.840 0.037 0.000 0.806 194 L CB 1.588 43.671 42.059 0.041 0.000 1.220 194 L HN 0.105 nan 8.230 nan 0.000 0.429 195 E N 1.124 121.344 120.200 0.033 0.000 2.208 195 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 195 E C 1.840 178.470 176.600 0.050 0.000 0.988 195 E CA 1.515 57.937 56.400 0.036 0.000 0.828 195 E CB 0.231 29.950 29.700 0.031 0.000 0.763 195 E HN 0.718 nan 8.360 nan 0.000 0.478 196 S N -1.159 114.574 115.700 0.056 0.000 2.406 196 S HA -0.036 4.433 4.470 -0.001 0.000 0.228 196 S C 2.180 176.832 174.600 0.085 0.000 1.020 196 S CA 0.958 59.204 58.200 0.078 0.000 0.965 196 S CB -0.223 63.038 63.200 0.101 0.000 0.798 196 S HN 0.111 nan 8.310 nan 0.000 0.488 197 S N 1.554 117.287 115.700 0.054 0.000 2.371 197 S HA 0.086 4.556 4.470 -0.001 0.000 0.224 197 S C 2.058 176.726 174.600 0.114 0.000 1.029 197 S CA 0.445 58.685 58.200 0.067 0.000 0.978 197 S CB -0.282 62.943 63.200 0.042 0.000 0.833 197 S HN 0.423 nan 8.310 nan 0.000 0.466 198 R N 0.718 121.259 120.500 0.068 0.000 2.096 198 R HA -0.091 4.248 4.340 -0.001 0.000 0.240 198 R C 2.417 178.752 176.300 0.059 0.000 1.139 198 R CA 1.568 57.696 56.100 0.047 0.000 0.952 198 R CB -0.490 29.828 30.300 0.029 0.000 0.854 198 R HN 0.435 nan 8.270 nan 0.000 0.436 199 M N -0.178 119.465 119.600 0.071 0.000 2.132 199 M HA -0.193 4.286 4.480 -0.001 0.000 0.263 199 M C 2.085 178.426 176.300 0.069 0.000 1.065 199 M CA 1.531 56.863 55.300 0.052 0.000 1.122 199 M CB -0.333 32.293 32.600 0.044 0.000 1.365 199 M HN 0.302 nan 8.290 nan 0.000 0.411 200 W N 1.509 122.762 121.300 -0.077 0.000 2.333 200 W HA -0.275 4.384 4.660 -0.001 0.000 0.316 200 W C 2.282 178.778 176.519 -0.038 0.000 1.215 200 W CA 2.105 59.398 57.345 -0.086 0.000 1.278 200 W CB -0.820 28.574 29.460 -0.111 0.000 1.154 200 W HN 0.296 nan 8.180 nan 0.000 0.486 201 R N 0.560 121.228 120.500 0.279 0.000 2.091 201 R HA -0.208 4.131 4.340 -0.001 0.000 0.238 201 R C 2.327 178.642 176.300 0.024 0.000 1.136 201 R CA 2.296 58.457 56.100 0.101 0.000 0.959 201 R CB -0.505 29.726 30.300 -0.115 0.000 0.856 201 R HN 0.226 nan 8.270 nan 0.000 0.437 202 E N 0.120 120.324 120.200 0.008 0.000 2.058 202 E HA -0.218 4.132 4.350 -0.001 0.000 0.194 202 E C 2.003 178.598 176.600 -0.009 0.000 0.997 202 E CA 1.663 58.062 56.400 -0.001 0.000 0.801 202 E CB -0.135 29.561 29.700 -0.006 0.000 0.746 202 E HN 0.430 nan 8.360 nan 0.000 0.450 203 I N 0.805 121.340 120.570 -0.058 0.000 2.493 203 I HA -0.232 3.937 4.170 -0.001 0.000 0.254 203 I C 2.443 178.519 176.117 -0.069 0.000 1.160 203 I CA 0.628 61.864 61.300 -0.107 0.000 1.445 203 I CB -0.282 37.587 38.000 -0.217 0.000 1.086 203 I HN 0.103 nan 8.210 nan 0.000 0.433 204 A N 0.531 123.337 122.820 -0.023 0.000 1.873 204 A HA -0.225 4.094 4.320 -0.001 0.000 0.215 204 A C 2.211 179.942 177.584 0.246 0.000 1.186 204 A CA 1.654 53.783 52.037 0.153 0.000 0.616 204 A CB -0.475 18.692 19.000 0.279 0.000 0.823 204 A HN 0.304 nan 8.150 nan 0.000 0.442 205 E N 0.172 120.499 120.200 0.212 0.000 2.110 205 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 205 E C 1.881 178.525 176.600 0.075 0.000 0.988 205 E CA 1.654 58.163 56.400 0.181 0.000 0.804 205 E CB -0.203 29.588 29.700 0.153 0.000 0.745 205 E HN 0.731 nan 8.360 nan 0.000 0.458 206 E N -1.082 119.134 120.200 0.027 0.000 2.028 206 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 206 E C 1.953 178.512 176.600 -0.067 0.000 0.988 206 E CA 1.703 58.090 56.400 -0.022 0.000 0.799 206 E CB -0.061 29.617 29.700 -0.036 0.000 0.755 206 E HN 0.229 nan 8.360 nan 0.000 0.447 207 T N 0.850 115.353 114.554 -0.085 0.000 2.833 207 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 207 T C 1.934 176.344 174.700 -0.483 0.000 1.054 207 T CA 0.953 62.925 62.100 -0.213 0.000 1.135 207 T CB -0.205 68.570 68.868 -0.156 0.000 0.869 207 T HN 0.221 nan 8.240 nan 0.000 0.466 208 A N 1.976 124.576 122.820 -0.368 0.000 2.024 208 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 208 A C 2.242 179.718 177.584 -0.181 0.000 1.164 208 A CA 1.361 53.213 52.037 -0.308 0.000 0.643 208 A CB -0.440 18.625 19.000 0.107 0.000 0.806 208 A HN 0.462 nan 8.150 nan 0.000 0.451 209 K N -0.465 119.851 120.400 -0.140 0.000 2.211 209 K HA -0.089 4.230 4.320 -0.001 0.000 0.203 209 K C 1.650 178.148 176.600 -0.170 0.000 1.050 209 K CA 1.336 57.557 56.287 -0.111 0.000 0.945 209 K CB -0.062 32.388 32.500 -0.084 0.000 0.732 209 K HN 0.316 nan 8.250 nan 0.000 0.451 210 K N -0.067 120.180 120.400 -0.255 0.000 2.444 210 K HA 0.041 4.360 4.320 -0.001 0.000 0.193 210 K C -0.149 176.014 176.600 -0.729 0.000 1.024 210 K CA 0.452 56.484 56.287 -0.426 0.000 1.077 210 K CB -0.072 32.162 32.500 -0.443 0.000 0.833 210 K HN 0.249 nan 8.250 nan 0.000 0.517 211 Y N 0.352 120.489 120.300 -0.272 0.000 2.584 211 Y HA 0.240 4.789 4.550 -0.001 0.000 0.358 211 Y C -1.815 174.044 175.900 -0.069 0.000 1.028 211 Y CA -2.606 55.390 58.100 -0.172 0.000 1.148 211 Y CB 1.363 39.679 38.460 -0.239 0.000 1.126 211 Y HN 0.024 nan 8.280 nan 0.000 0.658 212 P HA -0.184 nan 4.420 nan 0.000 0.215 212 P C 0.272 177.615 177.300 0.071 0.000 1.153 212 P CA 1.839 64.956 63.100 0.029 0.000 0.853 212 P CB 0.435 32.129 31.700 -0.011 0.000 0.788 213 D N -0.228 120.224 120.400 0.087 0.000 2.264 213 D HA -0.037 4.602 4.640 -0.001 0.000 0.208 213 D C 0.687 177.059 176.300 0.120 0.000 0.966 213 D CA 0.336 54.391 54.000 0.091 0.000 0.864 213 D CB -0.933 39.919 40.800 0.087 0.000 0.933 213 D HN 0.072 nan 8.370 nan 0.000 0.499 214 V N 1.323 121.350 119.914 0.188 0.000 2.530 214 V HA 0.011 4.130 4.120 -0.001 0.000 0.282 214 V C 0.576 176.775 176.094 0.174 0.000 1.048 214 V CA -0.544 61.880 62.300 0.207 0.000 0.997 214 V CB 1.224 33.265 31.823 0.363 0.000 0.987 214 V HN 0.139 nan 8.190 nan 0.000 0.477 215 E N 4.800 125.059 120.200 0.099 0.000 1.893 215 E HA 0.222 4.572 4.350 -0.001 0.000 0.269 215 E C -0.634 175.987 176.600 0.034 0.000 1.129 215 E CA -0.709 55.728 56.400 0.063 0.000 0.904 215 E CB 0.821 30.539 29.700 0.029 0.000 1.077 215 E HN 0.584 nan 8.360 nan 0.000 0.407 216 L N 3.876 125.137 121.223 0.063 0.000 2.395 216 L HA 0.349 4.689 4.340 -0.001 0.000 0.269 216 L C -0.687 176.111 176.870 -0.121 0.000 1.133 216 L CA 0.351 55.178 54.840 -0.022 0.000 0.812 216 L CB 1.317 43.435 42.059 0.098 0.000 1.125 216 L HN 0.490 nan 8.230 nan 0.000 0.452 217 S N 2.164 117.724 115.700 -0.233 0.000 2.596 217 S HA 0.649 5.118 4.470 -0.001 0.000 0.270 217 S C -1.125 173.242 174.600 -0.389 0.000 1.155 217 S CA -0.984 57.064 58.200 -0.253 0.000 0.827 217 S CB 1.358 64.509 63.200 -0.082 0.000 1.130 217 S HN 0.753 nan 8.310 nan 0.000 0.467 218 H N 0.486 119.598 119.070 0.069 0.000 2.679 218 H HA 0.744 5.299 4.556 -0.001 0.000 0.367 218 H C -0.882 174.480 175.328 0.056 0.000 1.162 218 H CA -0.785 55.307 56.048 0.073 0.000 1.181 218 H CB 1.900 31.708 29.762 0.077 0.000 1.693 218 H HN 0.776 nan 8.280 nan 0.000 0.538 219 M N 2.437 122.138 119.600 0.168 0.000 2.365 219 M HA 0.291 4.771 4.480 -0.001 0.000 0.287 219 M C -1.669 174.645 176.300 0.024 0.000 1.154 219 M CA -0.575 54.780 55.300 0.092 0.000 0.941 219 M CB 2.000 34.668 32.600 0.114 0.000 1.704 219 M HN 0.377 nan 8.290 nan 0.000 0.479 220 L N 3.677 124.891 121.223 -0.016 0.000 2.436 220 L HA 0.218 4.558 4.340 -0.001 0.000 0.265 220 L C 1.301 178.063 176.870 -0.181 0.000 1.168 220 L CA -0.381 54.403 54.840 -0.093 0.000 0.815 220 L CB 1.085 43.099 42.059 -0.074 0.000 1.109 220 L HN 0.744 nan 8.230 nan 0.000 0.462 221 V N 2.070 121.767 119.914 -0.362 0.000 2.392 221 V HA -0.272 3.847 4.120 -0.001 0.000 0.249 221 V C 2.097 177.997 176.094 -0.324 0.000 1.059 221 V CA 2.515 64.505 62.300 -0.517 0.000 1.051 221 V CB -0.484 30.608 31.823 -1.220 0.000 0.658 221 V HN 1.096 nan 8.190 nan 0.000 0.455 222 D N -1.246 119.006 120.400 -0.247 0.000 2.219 222 D HA -0.129 4.511 4.640 -0.001 0.000 0.205 222 D C 2.014 178.260 176.300 -0.090 0.000 0.970 222 D CA 1.520 55.432 54.000 -0.146 0.000 0.851 222 D CB -0.247 40.490 40.800 -0.106 0.000 0.943 222 D HN 0.520 nan 8.370 nan 0.000 0.488 223 S N 0.146 115.801 115.700 -0.075 0.000 2.371 223 S HA -0.067 4.403 4.470 -0.001 0.000 0.221 223 S C 2.094 176.696 174.600 0.003 0.000 1.036 223 S CA 1.153 59.338 58.200 -0.024 0.000 0.965 223 S CB -0.330 62.867 63.200 -0.005 0.000 0.845 223 S HN 0.327 nan 8.310 nan 0.000 0.475 224 T N 1.880 116.423 114.554 -0.020 0.000 2.849 224 T HA -0.107 4.242 4.350 -0.001 0.000 0.270 224 T C 2.044 176.720 174.700 -0.039 0.000 1.066 224 T CA 1.402 63.499 62.100 -0.006 0.000 1.130 224 T CB -0.408 68.383 68.868 -0.127 0.000 0.864 224 T HN 0.430 nan 8.240 nan 0.000 0.481 225 S N 1.437 117.095 115.700 -0.069 0.000 2.399 225 S HA -0.102 4.368 4.470 -0.001 0.000 0.231 225 S C 2.008 176.598 174.600 -0.015 0.000 1.022 225 S CA 1.396 59.561 58.200 -0.059 0.000 0.983 225 S CB -0.310 62.846 63.200 -0.073 0.000 0.803 225 S HN 0.692 nan 8.310 nan 0.000 0.480 226 M N -1.158 118.444 119.600 0.004 0.000 2.492 226 M HA 0.316 4.796 4.480 -0.001 0.000 0.255 226 M C 1.835 178.167 176.300 0.053 0.000 1.139 226 M CA 0.132 55.444 55.300 0.020 0.000 1.096 226 M CB -0.170 32.436 32.600 0.009 0.000 1.360 226 M HN 0.025 nan 8.290 nan 0.000 0.480 227 Q N 1.682 121.540 119.800 0.097 0.000 2.172 227 Q HA 0.127 4.466 4.340 -0.001 0.000 0.200 227 Q C 2.091 178.237 176.000 0.243 0.000 0.964 227 Q CA 1.206 57.109 55.803 0.167 0.000 0.855 227 Q CB -0.319 28.587 28.738 0.281 0.000 0.918 227 Q HN 0.615 nan 8.270 nan 0.000 0.444 228 L N -0.178 121.168 121.223 0.204 0.000 2.456 228 L HA -0.080 4.259 4.340 -0.001 0.000 0.224 228 L C 1.875 178.803 176.870 0.096 0.000 1.148 228 L CA 0.588 55.521 54.840 0.155 0.000 0.825 228 L CB -0.067 42.001 42.059 0.014 0.000 0.937 228 L HN 0.177 nan 8.230 nan 0.000 0.450 229 I N -1.619 118.994 120.570 0.072 0.000 2.947 229 I HA -0.012 4.157 4.170 -0.001 0.000 0.263 229 I C 2.520 178.661 176.117 0.041 0.000 1.130 229 I CA 0.672 61.999 61.300 0.045 0.000 1.448 229 I CB -0.086 37.931 38.000 0.028 0.000 1.222 229 I HN 0.054 nan 8.210 nan 0.000 0.453 230 A N 0.426 123.269 122.820 0.039 0.000 1.930 230 A HA -0.087 4.232 4.320 -0.001 0.000 0.215 230 A C 1.166 178.757 177.584 0.012 0.000 1.176 230 A CA 1.684 53.734 52.037 0.021 0.000 0.632 230 A CB -0.225 18.783 19.000 0.014 0.000 0.819 230 A HN 0.469 nan 8.150 nan 0.000 0.445 231 N N -1.555 117.157 118.700 0.019 0.000 2.666 231 N HA 0.152 4.891 4.740 -0.001 0.000 0.253 231 N C -2.505 172.996 175.510 -0.014 0.000 1.621 231 N CA -1.074 51.964 53.050 -0.020 0.000 0.785 231 N CB 0.969 39.415 38.487 -0.068 0.000 1.332 231 N HN -0.004 nan 8.380 nan 0.000 0.514 232 P HA 0.071 nan 4.420 nan 0.000 0.230 232 P C 1.276 178.656 177.300 0.133 0.000 1.158 232 P CA 0.576 63.801 63.100 0.208 0.000 0.769 232 P CB 0.118 31.914 31.700 0.161 0.000 0.807 233 G N 1.292 110.102 108.800 0.015 0.000 2.534 233 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 233 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 233 G C 1.614 176.469 174.900 -0.075 0.000 1.128 233 G CA 0.433 45.526 45.100 -0.012 0.000 0.784 233 G HN 0.456 nan 8.290 nan 0.000 0.542 234 Q N -0.635 119.038 119.800 -0.212 0.000 2.224 234 Q HA 0.017 4.356 4.340 -0.001 0.000 0.203 234 Q C 0.177 175.952 176.000 -0.375 0.000 0.970 234 Q CA 0.264 55.855 55.803 -0.354 0.000 0.865 234 Q CB -0.297 28.109 28.738 -0.553 0.000 0.922 234 Q HN 0.326 nan 8.270 nan 0.000 0.445 235 F N 1.259 121.196 119.950 -0.022 0.000 2.389 235 F HA 0.186 4.713 4.527 -0.001 0.000 0.337 235 F C 0.923 176.708 175.800 -0.024 0.000 1.112 235 F CA -0.522 57.463 58.000 -0.025 0.000 1.192 235 F CB 1.046 40.031 39.000 -0.024 0.000 1.185 235 F HN 0.025 nan 8.300 nan 0.000 0.552 236 D N 0.526 121.035 120.400 0.182 0.000 3.206 236 D HA 0.161 4.801 4.640 -0.001 0.000 0.267 236 D C -0.825 175.520 176.300 0.075 0.000 1.506 236 D CA 0.764 54.817 54.000 0.089 0.000 1.173 236 D CB 0.445 41.272 40.800 0.044 0.000 1.141 236 D HN 0.104 nan 8.370 nan 0.000 0.350 237 V N 1.955 121.898 119.914 0.048 0.000 2.531 237 V HA 0.450 4.570 4.120 -0.001 0.000 0.301 237 V C -0.241 175.840 176.094 -0.022 0.000 1.034 237 V CA -0.718 61.578 62.300 -0.007 0.000 0.865 237 V CB 1.898 33.685 31.823 -0.060 0.000 0.995 237 V HN 0.161 nan 8.190 nan 0.000 0.424 238 I N 4.457 124.993 120.570 -0.057 0.000 2.493 238 I HA 0.648 4.818 4.170 -0.001 0.000 0.298 238 I C -0.708 175.378 176.117 -0.051 0.000 0.998 238 I CA -0.923 60.324 61.300 -0.089 0.000 1.137 238 I CB 2.139 40.003 38.000 -0.227 0.000 1.310 238 I HN 0.393 nan 8.210 nan 0.000 0.445 239 V N 5.256 125.171 119.914 0.002 0.000 2.709 239 V HA 0.758 4.878 4.120 -0.001 0.000 0.308 239 V C -0.690 175.517 176.094 0.188 0.000 1.062 239 V CA 0.142 62.504 62.300 0.104 0.000 0.901 239 V CB 2.221 34.111 31.823 0.112 0.000 1.003 239 V HN 0.905 nan 8.190 nan 0.000 0.425 240 T N 3.338 117.993 114.554 0.169 0.000 2.769 240 T HA 0.463 4.812 4.350 -0.001 0.000 0.306 240 T C -0.904 173.660 174.700 -0.225 0.000 1.400 240 T CA 0.015 62.044 62.100 -0.118 0.000 1.007 240 T CB 1.740 70.562 68.868 -0.076 0.000 1.392 240 T HN 1.128 nan 8.240 nan 0.000 0.500 241 E N 1.994 121.793 120.200 -0.668 0.000 2.410 241 E HA 0.272 4.621 4.350 -0.001 0.000 0.255 241 E C 1.241 177.773 176.600 -0.114 0.000 1.194 241 E CA -0.407 55.734 56.400 -0.432 0.000 0.955 241 E CB 0.357 29.658 29.700 -0.665 0.000 0.988 241 E HN 0.505 nan 8.360 nan 0.000 0.461 242 N N 1.040 119.761 118.700 0.035 0.000 2.021 242 N HA -0.286 4.453 4.740 -0.001 0.000 0.198 242 N C 1.611 177.057 175.510 -0.106 0.000 1.041 242 N CA 2.402 55.460 53.050 0.013 0.000 0.862 242 N CB -0.248 38.246 38.487 0.012 0.000 1.048 242 N HN 0.792 nan 8.380 nan 0.000 0.427 243 M N -0.808 118.583 119.600 -0.349 0.000 2.254 243 M HA -0.077 4.403 4.480 -0.001 0.000 0.265 243 M C 1.410 177.746 176.300 0.060 0.000 1.066 243 M CA 1.134 56.278 55.300 -0.261 0.000 1.123 243 M CB -0.059 32.284 32.600 -0.429 0.000 1.388 243 M HN -0.025 nan 8.290 nan 0.000 0.425 244 F N 0.376 120.255 119.950 -0.119 0.000 2.146 244 F HA 0.087 4.613 4.527 -0.001 0.000 0.298 244 F C 2.570 178.321 175.800 -0.082 0.000 1.096 244 F CA 1.135 59.065 58.000 -0.117 0.000 1.275 244 F CB -1.769 37.113 39.000 -0.196 0.000 1.008 244 F HN 0.250 nan 8.300 nan 0.000 0.480 245 G N -0.718 108.160 108.800 0.130 0.000 2.422 245 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 245 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 245 G C 1.380 176.331 174.900 0.086 0.000 1.140 245 G CA 1.084 46.231 45.100 0.078 0.000 0.775 245 G HN 0.328 nan 8.290 nan 0.000 0.545 246 D N 0.665 121.139 120.400 0.124 0.000 2.078 246 D HA -0.090 4.549 4.640 -0.001 0.000 0.193 246 D C 2.532 178.894 176.300 0.104 0.000 0.990 246 D CA 0.866 54.952 54.000 0.143 0.000 0.827 246 D CB -0.259 40.692 40.800 0.252 0.000 0.975 246 D HN 0.311 nan 8.370 nan 0.000 0.451 247 I N 0.157 120.794 120.570 0.112 0.000 2.179 247 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 247 I C 2.451 178.587 176.117 0.031 0.000 1.088 247 I CA 0.721 62.065 61.300 0.074 0.000 1.357 247 I CB -0.277 37.772 38.000 0.081 0.000 1.051 247 I HN 0.154 nan 8.210 nan 0.000 0.409 248 L N -0.163 121.068 121.223 0.014 0.000 2.093 248 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 248 L C 2.656 179.509 176.870 -0.028 0.000 1.085 248 L CA 1.115 55.935 54.840 -0.034 0.000 0.755 248 L CB -0.490 41.522 42.059 -0.078 0.000 0.904 248 L HN 0.192 nan 8.230 nan 0.000 0.435 249 S N -0.404 115.295 115.700 -0.002 0.000 2.383 249 S HA -0.165 4.305 4.470 -0.001 0.000 0.227 249 S C 1.436 176.044 174.600 0.012 0.000 1.026 249 S CA 1.224 59.426 58.200 0.003 0.000 0.981 249 S CB -0.186 63.027 63.200 0.021 0.000 0.818 249 S HN 0.416 nan 8.310 nan 0.000 0.472 250 D N 1.097 121.509 120.400 0.021 0.000 2.117 250 D HA -0.068 4.571 4.640 -0.001 0.000 0.198 250 D C 1.981 178.290 176.300 0.016 0.000 0.982 250 D CA 0.827 54.841 54.000 0.023 0.000 0.828 250 D CB -0.180 40.637 40.800 0.028 0.000 0.967 250 D HN 0.450 nan 8.370 nan 0.000 0.464 251 E N 0.173 120.377 120.200 0.006 0.000 2.031 251 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 251 E C 1.950 178.551 176.600 0.002 0.000 0.994 251 E CA 1.037 57.438 56.400 0.001 0.000 0.800 251 E CB -0.040 29.652 29.700 -0.013 0.000 0.752 251 E HN 0.192 nan 8.360 nan 0.000 0.447 252 A N 0.944 123.759 122.820 -0.008 0.000 2.019 252 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 252 A C 2.237 179.831 177.584 0.016 0.000 1.164 252 A CA 1.749 53.784 52.037 -0.004 0.000 0.644 252 A CB -0.691 18.293 19.000 -0.027 0.000 0.805 252 A HN 0.432 nan 8.150 nan 0.000 0.449 253 S N -0.187 115.525 115.700 0.020 0.000 2.493 253 S HA -0.083 4.386 4.470 -0.001 0.000 0.243 253 S C 1.360 175.983 174.600 0.039 0.000 0.991 253 S CA 1.415 59.635 58.200 0.034 0.000 0.957 253 S CB -0.759 62.462 63.200 0.034 0.000 0.756 253 S HN 1.222 nan 8.310 nan 0.000 0.521 254 V N -0.695 119.239 119.914 0.032 0.000 3.477 254 V HA 0.399 4.519 4.120 -0.001 0.000 0.297 254 V C 1.723 177.838 176.094 0.035 0.000 1.433 254 V CA 0.051 62.371 62.300 0.034 0.000 1.052 254 V CB -0.740 31.099 31.823 0.028 0.000 0.895 254 V HN 0.590 nan 8.190 nan 0.000 0.438 255 I N 0.893 121.484 120.570 0.034 0.000 2.493 255 I HA -0.060 4.110 4.170 -0.001 0.000 0.254 255 I C 2.027 178.168 176.117 0.040 0.000 1.160 255 I CA 2.180 63.501 61.300 0.035 0.000 1.445 255 I CB -0.804 37.217 38.000 0.035 0.000 1.086 255 I HN 0.382 nan 8.210 nan 0.000 0.433 256 T N -2.062 112.522 114.554 0.050 0.000 3.086 256 T HA 0.433 4.782 4.350 -0.001 0.000 0.250 256 T C 1.530 176.276 174.700 0.077 0.000 1.074 256 T CA 0.232 62.368 62.100 0.061 0.000 0.988 256 T CB 0.157 69.066 68.868 0.068 0.000 0.988 256 T HN 0.716 nan 8.240 nan 0.000 0.530 257 G N 1.853 110.692 108.800 0.064 0.000 2.179 257 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.257 257 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.257 257 G C 0.717 175.662 174.900 0.075 0.000 1.010 257 G CA 0.537 45.673 45.100 0.060 0.000 0.736 257 G HN 1.132 nan 8.290 nan 0.000 0.513 258 S N -1.247 114.510 115.700 0.096 0.000 2.578 258 S HA 0.453 4.923 4.470 -0.001 0.000 0.231 258 S C 0.871 175.523 174.600 0.086 0.000 0.994 258 S CA 0.214 58.480 58.200 0.109 0.000 0.956 258 S CB 0.562 63.887 63.200 0.208 0.000 0.870 258 S HN 1.113 nan 8.310 nan 0.000 0.494 259 L N 2.145 123.410 121.223 0.071 0.000 2.584 259 L HA 0.455 4.795 4.340 -0.001 0.000 0.272 259 L C 1.061 177.969 176.870 0.063 0.000 1.195 259 L CA 1.575 56.454 54.840 0.065 0.000 0.920 259 L CB -0.009 42.081 42.059 0.052 0.000 1.173 259 L HN 0.540 nan 8.230 nan 0.000 0.489 260 G N 4.059 112.909 108.800 0.084 0.000 2.336 260 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.194 260 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.194 260 G C 0.397 175.370 174.900 0.122 0.000 0.999 260 G CA 0.233 45.386 45.100 0.090 0.000 0.669 260 G HN 0.774 nan 8.290 nan 0.000 0.482 261 M N 0.057 119.717 119.600 0.100 0.000 2.625 261 M HA 0.623 5.103 4.480 -0.001 0.000 0.396 261 M C -0.142 176.215 176.300 0.095 0.000 1.174 261 M CA -0.332 55.023 55.300 0.091 0.000 0.898 261 M CB 0.399 33.011 32.600 0.020 0.000 1.450 261 M HN -0.043 nan 8.290 nan 0.000 0.522 262 L N 4.571 125.852 121.223 0.098 0.000 2.367 262 L HA 0.482 4.821 4.340 -0.001 0.000 0.275 262 L C -2.080 174.825 176.870 0.058 0.000 1.129 262 L CA -1.621 53.271 54.840 0.087 0.000 0.839 262 L CB 0.556 42.660 42.059 0.076 0.000 1.133 262 L HN 0.097 nan 8.230 nan 0.000 0.453 263 P HA 0.208 nan 4.420 nan 0.000 0.281 263 P C -1.064 176.266 177.300 0.051 0.000 1.264 263 P CA -0.526 62.606 63.100 0.053 0.000 0.824 263 P CB 2.015 33.758 31.700 0.073 0.000 1.092 264 S N -0.436 115.292 115.700 0.047 0.000 2.546 264 S HA 0.697 5.167 4.470 -0.001 0.000 0.272 264 S C -1.567 173.041 174.600 0.014 0.000 1.140 264 S CA -0.615 57.602 58.200 0.029 0.000 0.920 264 S CB 0.737 63.929 63.200 -0.013 0.000 1.083 264 S HN 0.649 nan 8.310 nan 0.000 0.476 265 A N 2.673 125.486 122.820 -0.013 0.000 2.386 265 A HA 0.855 5.174 4.320 -0.001 0.000 0.311 265 A C -0.589 176.851 177.584 -0.239 0.000 1.068 265 A CA -0.646 51.285 52.037 -0.177 0.000 0.743 265 A CB 1.931 20.982 19.000 0.084 0.000 1.258 265 A HN 0.721 nan 8.150 nan 0.000 0.429 266 S N 1.370 116.824 115.700 -0.410 0.000 2.707 266 S HA 0.650 5.119 4.470 -0.001 0.000 0.312 266 S C -0.556 173.802 174.600 -0.403 0.000 1.116 266 S CA -0.343 57.668 58.200 -0.315 0.000 1.078 266 S CB 0.274 63.327 63.200 -0.244 0.000 0.997 266 S HN 0.559 nan 8.310 nan 0.000 0.477 267 L N 3.493 124.487 121.223 -0.381 0.000 2.256 267 L HA 0.771 5.110 4.340 -0.001 0.000 0.261 267 L C 0.396 176.837 176.870 -0.715 0.000 1.022 267 L CA -1.220 53.360 54.840 -0.434 0.000 0.828 267 L CB 1.539 43.391 42.059 -0.344 0.000 1.374 267 L HN 0.591 nan 8.230 nan 0.000 0.436 268 R N -1.360 118.756 120.500 -0.639 0.000 3.176 268 R HA 0.549 4.888 4.340 -0.001 0.000 0.247 268 R C 0.303 176.445 176.300 -0.263 0.000 1.382 268 R CA -0.598 54.943 56.100 -0.931 0.000 1.040 268 R CB 0.754 30.859 30.300 -0.326 0.000 1.426 268 R HN 0.375 nan 8.270 nan 0.000 0.485 269 S N 0.659 116.458 115.700 0.165 0.000 2.345 269 S HA -0.127 4.342 4.470 -0.001 0.000 0.220 269 S C 0.287 174.943 174.600 0.093 0.000 1.031 269 S CA 1.777 60.105 58.200 0.213 0.000 0.996 269 S CB -0.677 62.662 63.200 0.231 0.000 0.882 269 S HN 0.723 nan 8.310 nan 0.000 0.445 270 D N 0.851 121.297 120.400 0.077 0.000 2.314 270 D HA 0.037 4.676 4.640 -0.001 0.000 0.252 270 D C 0.593 176.920 176.300 0.044 0.000 1.295 270 D CA -0.155 53.882 54.000 0.062 0.000 0.995 270 D CB 0.169 41.009 40.800 0.067 0.000 1.125 270 D HN 0.029 nan 8.370 nan 0.000 0.537 271 R N -1.795 118.727 120.500 0.036 0.000 2.320 271 R HA 0.176 4.515 4.340 -0.001 0.000 0.211 271 R C -0.174 176.116 176.300 -0.017 0.000 0.931 271 R CA -0.440 55.652 56.100 -0.013 0.000 1.071 271 R CB -0.495 29.766 30.300 -0.064 0.000 1.025 271 R HN 0.303 nan 8.270 nan 0.000 0.495 272 F N 0.710 120.603 119.950 -0.095 0.000 2.412 272 F HA 0.465 4.992 4.527 -0.001 0.000 0.348 272 F C 0.608 176.361 175.800 -0.079 0.000 1.102 272 F CA 0.031 57.983 58.000 -0.080 0.000 1.196 272 F CB 0.879 39.842 39.000 -0.061 0.000 1.144 272 F HN -0.019 nan 8.300 nan 0.000 0.541 273 G N 5.403 113.674 108.800 -0.881 0.000 2.649 273 G HA2 0.483 4.442 3.960 -0.001 0.000 0.290 273 G HA3 0.483 4.442 3.960 -0.001 0.000 0.290 273 G C -2.078 172.311 174.900 -0.852 0.000 1.426 273 G CA -1.042 43.603 45.100 -0.758 0.000 0.794 273 G HN 0.754 nan 8.290 nan 0.000 0.483 274 M N 1.150 120.277 119.600 -0.789 0.000 2.134 274 M HA 0.619 5.099 4.480 -0.001 0.000 0.310 274 M C -1.793 174.127 176.300 -0.633 0.000 0.966 274 M CA -0.778 54.220 55.300 -0.503 0.000 0.922 274 M CB 1.198 33.626 32.600 -0.287 0.000 1.537 274 M HN 0.495 nan 8.290 nan 0.000 0.424 275 Y N 3.182 123.422 120.300 -0.100 0.000 2.360 275 Y HA 0.632 5.181 4.550 -0.001 0.000 0.337 275 Y C -0.021 175.851 175.900 -0.046 0.000 1.039 275 Y CA -0.527 57.539 58.100 -0.057 0.000 1.109 275 Y CB 1.171 39.604 38.460 -0.045 0.000 1.201 275 Y HN 0.628 nan 8.280 nan 0.000 0.458 276 E N 3.277 123.506 120.200 0.049 0.000 2.401 276 E HA 0.468 4.818 4.350 -0.001 0.000 0.280 276 E C -3.446 173.120 176.600 -0.056 0.000 1.039 276 E CA -2.405 53.989 56.400 -0.010 0.000 0.814 276 E CB 2.831 32.504 29.700 -0.045 0.000 1.275 276 E HN 0.195 nan 8.360 nan 0.000 0.448 277 P HA 0.053 nan 4.420 nan 0.000 0.276 277 P C 0.824 177.967 177.300 -0.263 0.000 1.244 277 P CA -0.474 62.471 63.100 -0.258 0.000 0.801 277 P CB 1.469 32.828 31.700 -0.568 0.000 1.006 278 V N 0.528 120.343 119.914 -0.166 0.000 2.548 278 V HA -0.144 3.975 4.120 -0.001 0.000 0.249 278 V C 1.396 177.452 176.094 -0.064 0.000 1.055 278 V CA 1.553 63.807 62.300 -0.076 0.000 1.065 278 V CB -1.953 29.870 31.823 -0.000 0.000 0.681 278 V HN 0.739 nan 8.190 nan 0.000 0.462 279 H N -0.001 119.083 119.070 0.024 0.000 2.822 279 H HA 0.465 5.020 4.556 -0.001 0.000 0.373 279 H C 0.727 176.066 175.328 0.019 0.000 1.223 279 H CA 0.033 56.093 56.048 0.020 0.000 1.436 279 H CB -0.030 29.744 29.762 0.019 0.000 1.439 279 H HN 0.121 nan 8.280 nan 0.000 0.618 280 G N -0.420 108.537 108.800 0.263 0.000 2.504 280 G HA2 0.219 4.179 3.960 -0.001 0.000 0.257 280 G HA3 0.219 4.179 3.960 -0.001 0.000 0.257 280 G C 0.749 175.794 174.900 0.242 0.000 1.451 280 G CA -0.210 44.998 45.100 0.179 0.000 1.059 280 G HN 0.844 nan 8.290 nan 0.000 0.550 281 S N -1.492 114.291 115.700 0.139 0.000 2.524 281 S HA 0.369 4.838 4.470 -0.001 0.000 0.216 281 S C 1.504 176.150 174.600 0.077 0.000 0.987 281 S CA 1.073 59.346 58.200 0.123 0.000 0.909 281 S CB -0.064 63.204 63.200 0.113 0.000 0.781 281 S HN 2.069 nan 8.310 nan 0.000 0.521 282 A N 3.128 125.979 122.820 0.053 0.000 2.261 282 A HA -0.118 4.202 4.320 -0.001 0.000 0.282 282 A C -0.205 177.391 177.584 0.019 0.000 1.403 282 A CA 0.708 52.754 52.037 0.014 0.000 0.753 282 A CB -1.702 17.279 19.000 -0.032 0.000 1.125 282 A HN 0.573 nan 8.150 nan 0.000 0.358 283 P HA -0.265 nan 4.420 nan 0.000 0.216 283 P C 0.912 178.215 177.300 0.006 0.000 1.157 283 P CA 1.973 65.094 63.100 0.034 0.000 0.880 283 P CB -0.211 31.511 31.700 0.037 0.000 0.791 284 D N 0.667 121.064 120.400 -0.005 0.000 2.310 284 D HA -0.142 4.498 4.640 -0.001 0.000 0.212 284 D C 1.786 178.078 176.300 -0.013 0.000 0.965 284 D CA 0.694 54.685 54.000 -0.013 0.000 0.879 284 D CB -1.340 39.450 40.800 -0.016 0.000 0.921 284 D HN 0.410 nan 8.370 nan 0.000 0.510 285 I N -3.424 117.139 120.570 -0.012 0.000 3.904 285 I HA 0.498 4.667 4.170 -0.001 0.000 0.333 285 I C 0.586 176.695 176.117 -0.014 0.000 1.361 285 I CA -0.865 60.425 61.300 -0.017 0.000 1.116 285 I CB 0.010 37.995 38.000 -0.026 0.000 1.028 285 I HN -0.038 nan 8.210 nan 0.000 0.398 286 A N 1.306 124.123 122.820 -0.004 0.000 2.425 286 A HA 0.469 4.788 4.320 -0.001 0.000 0.242 286 A C 1.649 179.233 177.584 -0.000 0.000 1.077 286 A CA 0.549 52.588 52.037 0.004 0.000 0.781 286 A CB -0.433 18.578 19.000 0.019 0.000 1.020 286 A HN 1.130 nan 8.150 nan 0.000 0.494 287 G N 0.386 109.187 108.800 0.001 0.000 2.205 287 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.269 287 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.269 287 G C 0.682 175.578 174.900 -0.007 0.000 0.977 287 G CA 1.127 46.225 45.100 -0.002 0.000 0.652 287 G HN 0.845 nan 8.290 nan 0.000 0.539 288 Q N -0.836 118.958 119.800 -0.010 0.000 2.392 288 Q HA 0.375 4.714 4.340 -0.001 0.000 0.203 288 Q C 2.149 178.141 176.000 -0.014 0.000 0.917 288 Q CA 0.682 56.477 55.803 -0.012 0.000 0.939 288 Q CB 0.287 29.017 28.738 -0.013 0.000 1.063 288 Q HN 1.411 nan 8.270 nan 0.000 0.516 289 G N 2.102 110.893 108.800 -0.015 0.000 2.179 289 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.260 289 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.260 289 G C 0.859 175.747 174.900 -0.020 0.000 0.977 289 G CA 0.795 45.885 45.100 -0.017 0.000 0.641 289 G HN 0.473 nan 8.290 nan 0.000 0.533 290 K N 0.384 120.770 120.400 -0.023 0.000 2.444 290 K HA 0.697 5.016 4.320 -0.001 0.000 0.193 290 K C 1.195 177.769 176.600 -0.044 0.000 1.024 290 K CA 0.523 56.793 56.287 -0.028 0.000 1.077 290 K CB 0.429 32.914 32.500 -0.025 0.000 0.833 290 K HN 0.899 nan 8.250 nan 0.000 0.517 291 A N 2.272 125.062 122.820 -0.050 0.000 2.498 291 A HA 0.041 4.361 4.320 -0.001 0.000 0.239 291 A C -0.375 177.169 177.584 -0.068 0.000 1.068 291 A CA -0.379 51.609 52.037 -0.080 0.000 0.766 291 A CB 0.082 19.044 19.000 -0.063 0.000 1.003 291 A HN 0.355 nan 8.150 nan 0.000 0.497 292 N N 2.541 121.182 118.700 -0.099 0.000 2.414 292 N HA 0.277 5.016 4.740 -0.001 0.000 0.256 292 N C -1.737 173.778 175.510 0.008 0.000 1.029 292 N CA -2.092 50.931 53.050 -0.045 0.000 0.948 292 N CB 1.452 39.911 38.487 -0.046 0.000 1.102 292 N HN 0.348 nan 8.380 nan 0.000 0.496 293 P HA -0.001 nan 4.420 nan 0.000 0.235 293 P C 1.527 178.856 177.300 0.048 0.000 1.177 293 P CA 0.360 63.485 63.100 0.041 0.000 0.785 293 P CB 0.667 32.374 31.700 0.011 0.000 0.885 294 L N 0.065 121.306 121.223 0.029 0.000 1.990 294 L HA -0.172 4.167 4.340 -0.001 0.000 0.213 294 L C 2.851 179.746 176.870 0.041 0.000 1.072 294 L CA 2.248 57.096 54.840 0.014 0.000 0.755 294 L CB -2.013 40.029 42.059 -0.028 0.000 0.889 294 L HN 0.067 nan 8.230 nan 0.000 0.432 295 G N -0.569 108.281 108.800 0.083 0.000 2.529 295 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.219 295 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.219 295 G C 1.544 176.470 174.900 0.043 0.000 1.177 295 G CA 1.592 46.738 45.100 0.077 0.000 0.773 295 G HN 0.345 nan 8.290 nan 0.000 0.573 296 T N 0.627 115.214 114.554 0.054 0.000 2.788 296 T HA -0.094 4.256 4.350 -0.001 0.000 0.268 296 T C 2.535 177.255 174.700 0.032 0.000 1.044 296 T CA 1.197 63.318 62.100 0.035 0.000 1.139 296 T CB -0.255 68.647 68.868 0.056 0.000 0.867 296 T HN 0.075 nan 8.240 nan 0.000 0.454 297 V N 1.496 121.428 119.914 0.030 0.000 2.343 297 V HA -0.097 4.023 4.120 -0.001 0.000 0.247 297 V C 2.454 178.555 176.094 0.012 0.000 1.051 297 V CA 1.400 63.709 62.300 0.015 0.000 1.036 297 V CB -0.642 31.187 31.823 0.009 0.000 0.654 297 V HN 0.450 nan 8.190 nan 0.000 0.451 298 L N -0.406 120.831 121.223 0.024 0.000 2.191 298 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 298 L C 2.579 179.460 176.870 0.018 0.000 1.103 298 L CA 1.172 56.030 54.840 0.030 0.000 0.769 298 L CB -0.488 41.609 42.059 0.062 0.000 0.908 298 L HN 0.310 nan 8.230 nan 0.000 0.438 299 S N -0.033 115.687 115.700 0.033 0.000 2.355 299 S HA -0.152 4.317 4.470 -0.001 0.000 0.222 299 S C 2.227 176.822 174.600 -0.010 0.000 1.031 299 S CA 1.200 59.442 58.200 0.070 0.000 0.993 299 S CB -0.219 63.039 63.200 0.097 0.000 0.859 299 S HN 0.510 nan 8.310 nan 0.000 0.453 300 A N 1.439 124.238 122.820 -0.035 0.000 1.978 300 A HA 0.007 4.326 4.320 -0.001 0.000 0.220 300 A C 2.278 179.767 177.584 -0.158 0.000 1.170 300 A CA 1.822 53.801 52.037 -0.097 0.000 0.636 300 A CB -0.952 18.030 19.000 -0.031 0.000 0.810 300 A HN 0.521 nan 8.150 nan 0.000 0.448 301 A N -0.206 122.545 122.820 -0.115 0.000 1.873 301 A HA 0.011 4.331 4.320 -0.001 0.000 0.215 301 A C 2.139 179.581 177.584 -0.238 0.000 1.186 301 A CA 1.364 53.324 52.037 -0.129 0.000 0.616 301 A CB -0.597 18.361 19.000 -0.070 0.000 0.823 301 A HN 0.466 nan 8.150 nan 0.000 0.442 302 L N -1.050 120.016 121.223 -0.262 0.000 2.079 302 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 302 L C 2.834 179.341 176.870 -0.605 0.000 1.081 302 L CA 1.778 56.337 54.840 -0.469 0.000 0.752 302 L CB -0.524 41.447 42.059 -0.147 0.000 0.896 302 L HN 0.547 nan 8.230 nan 0.000 0.433 303 M N -0.002 119.085 119.600 -0.856 0.000 2.080 303 M HA -0.255 4.225 4.480 -0.001 0.000 0.260 303 M C 2.310 178.336 176.300 -0.456 0.000 1.068 303 M CA 1.942 56.397 55.300 -1.408 0.000 1.109 303 M CB -0.103 31.783 32.600 -1.191 0.000 1.342 303 M HN 0.226 nan 8.290 nan 0.000 0.405 304 L N -0.752 120.332 121.223 -0.231 0.000 2.083 304 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 304 L C 2.734 179.584 176.870 -0.034 0.000 1.083 304 L CA 1.277 56.107 54.840 -0.016 0.000 0.752 304 L CB -0.763 41.252 42.059 -0.073 0.000 0.899 304 L HN 0.416 nan 8.230 nan 0.000 0.433 305 R N -0.516 119.875 120.500 -0.181 0.000 2.055 305 R HA -0.158 4.181 4.340 -0.001 0.000 0.228 305 R C 2.464 178.779 176.300 0.025 0.000 1.143 305 R CA 1.549 57.566 56.100 -0.139 0.000 0.945 305 R CB -0.211 29.894 30.300 -0.325 0.000 0.841 305 R HN 0.180 nan 8.270 nan 0.000 0.429 306 Y N -0.108 120.195 120.300 0.004 0.000 2.286 306 Y HA 0.111 4.660 4.550 -0.001 0.000 0.293 306 Y C 2.459 178.315 175.900 -0.073 0.000 1.124 306 Y CA 0.579 58.689 58.100 0.016 0.000 1.178 306 Y CB -0.398 38.132 38.460 0.116 0.000 1.010 306 Y HN 0.053 nan 8.280 nan 0.000 0.536 307 S N -1.402 114.252 115.700 -0.077 0.000 2.486 307 S HA 0.121 4.591 4.470 -0.001 0.000 0.220 307 S C 0.708 174.777 174.600 -0.885 0.000 1.011 307 S CA 0.358 58.255 58.200 -0.504 0.000 0.921 307 S CB -0.053 62.676 63.200 -0.785 0.000 0.785 307 S HN 0.336 nan 8.310 nan 0.000 0.517 308 F N -0.166 119.768 119.950 -0.025 0.000 2.856 308 F HA 0.355 4.881 4.527 -0.001 0.000 0.338 308 F C 1.514 177.296 175.800 -0.029 0.000 1.100 308 F CA -0.116 57.855 58.000 -0.048 0.000 1.150 308 F CB 0.077 39.002 39.000 -0.125 0.000 1.101 308 F HN 0.146 nan 8.300 nan 0.000 0.548 309 G N 1.544 110.407 108.800 0.105 0.000 2.187 309 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.261 309 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.261 309 G C 0.306 175.254 174.900 0.082 0.000 1.000 309 G CA 0.171 45.326 45.100 0.091 0.000 0.718 309 G HN 0.359 nan 8.290 nan 0.000 0.519 310 L N 0.597 121.865 121.223 0.076 0.000 2.423 310 L HA 0.221 4.561 4.340 -0.001 0.000 0.249 310 L C 1.745 178.628 176.870 0.023 0.000 1.276 310 L CA -0.490 54.374 54.840 0.041 0.000 1.199 310 L CB 0.506 42.557 42.059 -0.013 0.000 1.407 310 L HN 0.131 nan 8.230 nan 0.000 0.410 311 E N 1.450 121.670 120.200 0.033 0.000 2.150 311 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 311 E C 1.859 178.471 176.600 0.019 0.000 0.985 311 E CA 1.009 57.422 56.400 0.022 0.000 0.814 311 E CB 0.444 30.167 29.700 0.038 0.000 0.752 311 E HN 0.449 nan 8.360 nan 0.000 0.466 312 K N 1.097 121.514 120.400 0.029 0.000 1.991 312 K HA -0.191 4.128 4.320 -0.001 0.000 0.212 312 K C 1.944 178.556 176.600 0.019 0.000 1.049 312 K CA 1.908 58.212 56.287 0.028 0.000 0.932 312 K CB -0.100 32.422 32.500 0.037 0.000 0.717 312 K HN -0.072 nan 8.250 nan 0.000 0.441 313 E N 0.155 120.366 120.200 0.018 0.000 2.012 313 E HA -0.137 4.212 4.350 -0.001 0.000 0.197 313 E C 1.976 178.570 176.600 -0.010 0.000 1.007 313 E CA 1.671 58.074 56.400 0.005 0.000 0.816 313 E CB -0.731 28.965 29.700 -0.006 0.000 0.762 313 E HN 0.410 nan 8.360 nan 0.000 0.451 314 A N 0.987 123.791 122.820 -0.026 0.000 1.971 314 A HA -0.285 4.035 4.320 -0.001 0.000 0.222 314 A C 2.358 179.928 177.584 -0.024 0.000 1.182 314 A CA 2.622 54.631 52.037 -0.046 0.000 0.649 314 A CB -1.063 17.891 19.000 -0.077 0.000 0.818 314 A HN 0.304 nan 8.150 nan 0.000 0.458 315 A N -0.705 122.111 122.820 -0.006 0.000 1.929 315 A HA 0.271 4.590 4.320 -0.001 0.000 0.216 315 A C 2.504 180.097 177.584 0.016 0.000 1.176 315 A CA 1.828 53.870 52.037 0.008 0.000 0.628 315 A CB -0.959 18.050 19.000 0.014 0.000 0.816 315 A HN 1.118 nan 8.150 nan 0.000 0.444 316 A N 0.397 123.225 122.820 0.013 0.000 1.883 316 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 316 A C 2.109 179.703 177.584 0.017 0.000 1.186 316 A CA 1.585 53.632 52.037 0.016 0.000 0.624 316 A CB -0.689 18.319 19.000 0.013 0.000 0.822 316 A HN 0.491 nan 8.150 nan 0.000 0.444 317 I N -0.216 120.359 120.570 0.008 0.000 2.151 317 I HA -0.317 3.853 4.170 -0.001 0.000 0.243 317 I C 2.500 178.631 176.117 0.024 0.000 1.080 317 I CA 1.964 63.269 61.300 0.008 0.000 1.339 317 I CB -0.687 37.309 38.000 -0.006 0.000 1.039 317 I HN 0.478 nan 8.210 nan 0.000 0.409 318 E N 0.738 120.957 120.200 0.032 0.000 2.110 318 E HA -0.275 4.074 4.350 -0.001 0.000 0.193 318 E C 2.141 178.794 176.600 0.089 0.000 0.988 318 E CA 1.097 57.538 56.400 0.068 0.000 0.804 318 E CB -0.156 29.582 29.700 0.064 0.000 0.745 318 E HN 0.422 nan 8.360 nan 0.000 0.458 319 K N 0.938 121.376 120.400 0.064 0.000 2.097 319 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 319 K C 2.180 178.816 176.600 0.061 0.000 1.050 319 K CA 0.972 57.299 56.287 0.067 0.000 0.938 319 K CB -0.067 32.460 32.500 0.046 0.000 0.718 319 K HN 0.080 nan 8.250 nan 0.000 0.442 320 A N 0.783 123.628 122.820 0.043 0.000 1.865 320 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 320 A C 2.224 179.826 177.584 0.030 0.000 1.191 320 A CA 1.885 53.940 52.037 0.031 0.000 0.623 320 A CB -0.836 18.175 19.000 0.018 0.000 0.826 320 A HN 0.163 nan 8.150 nan 0.000 0.444 321 V N 0.631 120.562 119.914 0.028 0.000 2.332 321 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 321 V C 2.351 178.434 176.094 -0.018 0.000 1.055 321 V CA 2.631 64.927 62.300 -0.008 0.000 1.038 321 V CB -0.978 30.838 31.823 -0.011 0.000 0.651 321 V HN 0.775 nan 8.190 nan 0.000 0.450 322 D N 0.071 120.524 120.400 0.089 0.000 2.097 322 D HA -0.204 4.436 4.640 -0.001 0.000 0.195 322 D C 1.779 178.128 176.300 0.082 0.000 0.989 322 D CA 1.627 55.720 54.000 0.154 0.000 0.827 322 D CB -0.144 40.798 40.800 0.237 0.000 0.966 322 D HN 0.444 nan 8.370 nan 0.000 0.456 323 D N -0.147 120.294 120.400 0.068 0.000 2.104 323 D HA -0.134 4.506 4.640 -0.001 0.000 0.194 323 D C 2.378 178.715 176.300 0.061 0.000 0.994 323 D CA 0.868 54.902 54.000 0.058 0.000 0.830 323 D CB -0.535 40.296 40.800 0.051 0.000 0.959 323 D HN 0.191 nan 8.370 nan 0.000 0.452 324 V N 1.324 121.273 119.914 0.057 0.000 2.287 324 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 324 V C 2.703 178.855 176.094 0.097 0.000 1.053 324 V CA 1.221 63.579 62.300 0.098 0.000 1.027 324 V CB -0.519 31.338 31.823 0.058 0.000 0.646 324 V HN 0.192 nan 8.190 nan 0.000 0.447 325 L N -0.618 120.616 121.223 0.018 0.000 2.141 325 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 325 L C 2.637 179.505 176.870 -0.004 0.000 1.094 325 L CA 1.353 56.179 54.840 -0.023 0.000 0.763 325 L CB -0.416 41.570 42.059 -0.121 0.000 0.908 325 L HN 0.356 nan 8.230 nan 0.000 0.437 326 Q N 0.124 119.938 119.800 0.025 0.000 2.170 326 Q HA -0.212 4.128 4.340 -0.001 0.000 0.203 326 Q C 1.451 177.448 176.000 -0.004 0.000 0.976 326 Q CA 1.544 57.363 55.803 0.026 0.000 0.858 326 Q CB -0.025 28.740 28.738 0.044 0.000 0.907 326 Q HN 0.379 nan 8.270 nan 0.000 0.433 327 D N -1.657 118.745 120.400 0.002 0.000 2.355 327 D HA 0.123 4.762 4.640 -0.001 0.000 0.218 327 D C 0.588 176.733 176.300 -0.258 0.000 1.004 327 D CA 0.970 54.938 54.000 -0.054 0.000 0.880 327 D CB 0.259 41.115 40.800 0.093 0.000 0.911 327 D HN 0.408 nan 8.370 nan 0.000 0.528 328 G N 0.469 109.150 108.800 -0.199 0.000 2.142 328 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.225 328 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.225 328 G C -0.402 174.287 174.900 -0.352 0.000 1.015 328 G CA -0.443 44.498 45.100 -0.265 0.000 0.716 328 G HN 0.234 nan 8.290 nan 0.000 0.508 329 Y N 0.251 120.537 120.300 -0.024 0.000 2.320 329 Y HA 0.609 5.158 4.550 -0.001 0.000 0.334 329 Y C 1.259 177.138 175.900 -0.036 0.000 1.055 329 Y CA -0.539 57.546 58.100 -0.026 0.000 1.143 329 Y CB 1.029 39.474 38.460 -0.025 0.000 1.193 329 Y HN 0.712 nan 8.280 nan 0.000 0.477 330 C N -0.955 118.422 119.300 0.129 0.000 3.336 330 C HA 0.741 5.200 4.460 -0.001 0.000 0.352 330 C C 0.816 175.837 174.990 0.052 0.000 1.567 330 C CA -0.252 58.799 59.018 0.055 0.000 1.328 330 C CB 1.481 29.230 27.740 0.014 0.000 1.922 330 C HN 0.865 nan 8.230 nan 0.000 0.439 331 T N -3.285 111.280 114.554 0.018 0.000 3.228 331 T HA 0.555 4.904 4.350 -0.001 0.000 0.278 331 T C 1.176 175.876 174.700 -0.000 0.000 1.014 331 T CA 0.898 63.002 62.100 0.008 0.000 0.904 331 T CB -0.264 68.598 68.868 -0.010 0.000 1.110 331 T HN 2.722 nan 8.240 nan 0.000 0.541 332 G N 2.361 111.163 108.800 0.003 0.000 2.232 332 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.226 332 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.226 332 G C 0.713 175.608 174.900 -0.008 0.000 0.996 332 G CA 0.438 45.537 45.100 -0.002 0.000 0.626 332 G HN 0.629 nan 8.290 nan 0.000 0.509 333 D N 0.624 121.017 120.400 -0.012 0.000 2.197 333 D HA 0.125 4.764 4.640 -0.001 0.000 0.212 333 D C 1.534 177.831 176.300 -0.006 0.000 0.963 333 D CA 0.198 54.190 54.000 -0.013 0.000 0.864 333 D CB -0.463 40.323 40.800 -0.025 0.000 1.009 333 D HN 0.476 nan 8.370 nan 0.000 0.479 334 L N 0.860 122.079 121.223 -0.006 0.000 2.397 334 L HA 0.178 4.518 4.340 -0.001 0.000 0.271 334 L C 0.376 177.244 176.870 -0.004 0.000 1.148 334 L CA -0.369 54.468 54.840 -0.003 0.000 0.825 334 L CB 0.692 42.744 42.059 -0.012 0.000 1.117 334 L HN -0.011 nan 8.230 nan 0.000 0.456 335 Q N 3.018 122.818 119.800 0.000 0.000 2.673 335 Q HA 0.288 4.627 4.340 -0.001 0.000 0.224 335 Q C -0.993 175.004 176.000 -0.005 0.000 1.226 335 Q CA -0.294 55.508 55.803 -0.002 0.000 1.019 335 Q CB 0.481 29.220 28.738 0.002 0.000 1.312 335 Q HN 0.428 nan 8.270 nan 0.000 0.566 336 V N 1.788 121.693 119.914 -0.015 0.000 2.953 336 V HA 0.515 4.634 4.120 -0.001 0.000 0.304 336 V C 0.430 176.506 176.094 -0.030 0.000 1.073 336 V CA -0.457 61.829 62.300 -0.023 0.000 1.064 336 V CB 1.224 33.024 31.823 -0.039 0.000 1.047 336 V HN 0.778 nan 8.190 nan 0.000 0.478 337 A N 3.693 126.497 122.820 -0.027 0.000 2.396 337 A HA 0.425 4.744 4.320 -0.001 0.000 0.279 337 A C 0.774 178.325 177.584 -0.055 0.000 1.165 337 A CA -0.181 51.838 52.037 -0.030 0.000 0.824 337 A CB -0.737 18.254 19.000 -0.016 0.000 1.100 337 A HN 1.071 nan 8.150 nan 0.000 0.516 338 N N 0.724 119.391 118.700 -0.056 0.000 2.815 338 N HA -0.135 4.605 4.740 -0.001 0.000 0.248 338 N C 0.420 175.862 175.510 -0.114 0.000 1.110 338 N CA 1.192 54.197 53.050 -0.076 0.000 0.699 338 N CB -1.687 36.751 38.487 -0.082 0.000 1.040 338 N HN 1.196 nan 8.380 nan 0.000 0.555 339 G N 0.396 109.142 108.800 -0.089 0.000 2.265 339 G HA2 0.233 4.192 3.960 -0.001 0.000 0.240 339 G HA3 0.233 4.192 3.960 -0.001 0.000 0.240 339 G C 0.060 174.903 174.900 -0.094 0.000 1.270 339 G CA 0.097 45.139 45.100 -0.095 0.000 0.901 339 G HN 0.260 nan 8.290 nan 0.000 0.507 340 K N 1.931 122.260 120.400 -0.118 0.000 2.535 340 K HA 0.342 4.661 4.320 -0.001 0.000 0.253 340 K C -0.583 176.081 176.600 0.107 0.000 0.953 340 K CA -0.678 55.590 56.287 -0.031 0.000 0.863 340 K CB 2.466 34.884 32.500 -0.136 0.000 1.111 340 K HN 0.288 nan 8.250 nan 0.000 0.431 341 V N 4.500 124.462 119.914 0.080 0.000 2.455 341 V HA 0.189 4.308 4.120 -0.001 0.000 0.273 341 V C 0.414 176.564 176.094 0.092 0.000 1.045 341 V CA -0.491 61.856 62.300 0.079 0.000 0.976 341 V CB 0.622 32.467 31.823 0.037 0.000 0.993 341 V HN 0.555 nan 8.190 nan 0.000 0.475 342 V N 2.234 122.199 119.914 0.085 0.000 3.164 342 V HA 0.881 5.001 4.120 -0.001 0.000 0.313 342 V C 0.096 176.192 176.094 0.003 0.000 1.188 342 V CA -0.588 61.730 62.300 0.031 0.000 1.058 342 V CB 1.987 33.797 31.823 -0.022 0.000 1.110 342 V HN 0.813 nan 8.190 nan 0.000 0.453 343 S N -0.800 114.888 115.700 -0.020 0.000 2.672 343 S HA 0.309 4.778 4.470 -0.001 0.000 0.276 343 S C 1.012 175.595 174.600 -0.029 0.000 1.207 343 S CA 0.320 58.507 58.200 -0.022 0.000 1.002 343 S CB 0.934 64.119 63.200 -0.024 0.000 0.998 343 S HN 0.939 nan 8.310 nan 0.000 0.542 344 T N 1.487 116.026 114.554 -0.026 0.000 2.737 344 T HA -0.112 4.238 4.350 -0.001 0.000 0.269 344 T C 1.617 176.297 174.700 -0.032 0.000 1.040 344 T CA 1.755 63.840 62.100 -0.026 0.000 1.142 344 T CB -0.581 68.274 68.868 -0.022 0.000 0.861 344 T HN 0.587 nan 8.240 nan 0.000 0.456 345 I N 0.478 121.027 120.570 -0.036 0.000 2.333 345 I HA -0.055 4.114 4.170 -0.001 0.000 0.246 345 I C 2.754 178.836 176.117 -0.057 0.000 1.106 345 I CA 1.015 62.290 61.300 -0.042 0.000 1.411 345 I CB -0.402 37.575 38.000 -0.037 0.000 1.082 345 I HN 0.182 nan 8.210 nan 0.000 0.420 346 E N 1.830 121.991 120.200 -0.065 0.000 2.058 346 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 346 E C 2.183 178.707 176.600 -0.127 0.000 0.997 346 E CA 1.441 57.782 56.400 -0.098 0.000 0.801 346 E CB -0.422 29.218 29.700 -0.100 0.000 0.746 346 E HN 0.250 nan 8.360 nan 0.000 0.450 347 L N 0.542 121.704 121.223 -0.102 0.000 2.131 347 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 347 L C 1.812 178.638 176.870 -0.073 0.000 1.092 347 L CA 2.297 57.081 54.840 -0.093 0.000 0.759 347 L CB -1.167 40.865 42.059 -0.043 0.000 0.903 347 L HN 0.272 nan 8.230 nan 0.000 0.435 348 T N -0.397 114.121 114.554 -0.059 0.000 2.812 348 T HA -0.118 4.231 4.350 -0.001 0.000 0.264 348 T C 1.409 176.076 174.700 -0.055 0.000 1.042 348 T CA 1.243 63.315 62.100 -0.048 0.000 1.140 348 T CB -0.114 68.730 68.868 -0.041 0.000 0.870 348 T HN 0.308 nan 8.240 nan 0.000 0.445 349 D N 1.285 121.645 120.400 -0.067 0.000 2.123 349 D HA -0.045 4.594 4.640 -0.001 0.000 0.196 349 D C 2.340 178.595 176.300 -0.074 0.000 0.992 349 D CA 0.956 54.916 54.000 -0.067 0.000 0.833 349 D CB -0.247 40.509 40.800 -0.074 0.000 0.954 349 D HN 0.295 nan 8.370 nan 0.000 0.455 350 R N -0.008 120.428 120.500 -0.106 0.000 2.120 350 R HA -0.030 4.309 4.340 -0.001 0.000 0.234 350 R C 2.422 178.689 176.300 -0.056 0.000 1.123 350 R CA 0.454 56.488 56.100 -0.110 0.000 0.975 350 R CB -0.250 29.931 30.300 -0.198 0.000 0.866 350 R HN 0.236 nan 8.270 nan 0.000 0.446 351 L N 0.387 121.582 121.223 -0.047 0.000 1.973 351 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 351 L C 2.311 179.170 176.870 -0.019 0.000 1.073 351 L CA 1.385 56.210 54.840 -0.024 0.000 0.746 351 L CB -0.312 41.733 42.059 -0.023 0.000 0.891 351 L HN 0.160 nan 8.230 nan 0.000 0.433 352 I N -0.380 120.176 120.570 -0.025 0.000 2.423 352 I HA -0.299 3.870 4.170 -0.001 0.000 0.254 352 I C 2.527 178.634 176.117 -0.017 0.000 1.151 352 I CA 1.124 62.412 61.300 -0.019 0.000 1.421 352 I CB -0.386 37.599 38.000 -0.024 0.000 1.079 352 I HN 0.433 nan 8.210 nan 0.000 0.431 353 E N 1.592 121.779 120.200 -0.023 0.000 2.047 353 E HA -0.224 4.125 4.350 -0.001 0.000 0.191 353 E C 2.015 178.610 176.600 -0.008 0.000 0.987 353 E CA 1.057 57.445 56.400 -0.020 0.000 0.799 353 E CB 0.181 29.863 29.700 -0.031 0.000 0.752 353 E HN 0.307 nan 8.360 nan 0.000 0.449 354 K N 0.323 120.720 120.400 -0.004 0.000 2.211 354 K HA -0.101 4.219 4.320 -0.001 0.000 0.203 354 K C 1.643 178.247 176.600 0.007 0.000 1.050 354 K CA 0.367 56.657 56.287 0.006 0.000 0.945 354 K CB -0.189 32.319 32.500 0.013 0.000 0.732 354 K HN 0.189 nan 8.250 nan 0.000 0.451 355 L N 2.230 123.455 121.223 0.003 0.000 2.869 355 L HA -0.056 4.283 4.340 -0.001 0.000 0.259 355 L C 0.198 177.070 176.870 0.005 0.000 1.162 355 L CA 0.596 55.438 54.840 0.005 0.000 0.975 355 L CB -1.714 40.346 42.059 0.002 0.000 1.217 355 L HN 0.343 nan 8.230 nan 0.000 0.418 356 N N 0.000 118.703 118.700 0.005 0.000 1.763 356 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 356 N CA 0.000 53.053 53.050 0.004 0.000 0.885 356 N CB 0.000 38.488 38.487 0.002 0.000 1.341 356 N HN 0.000 nan 8.380 nan 0.000 0.667