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 2vut_1_H DATA FIRST_RESID 3 DATA SEQUENCE QQKKTIAVVN ATGRQAASLI RVAAAVGHHV RAQVHSLKGL IAEELQAIPN DATA SEQUENCE VTLFQGPLLN NVPLMDTLFE GAHLAFINTT SQAGDEIAIG KDLADAAKRA DATA SEQUENCE GTIQHYIYSS MPDHSLYGPW PAVPMWAPKF TVENYVRQLG LPSTFVYAGI DATA SEQUENCE YNNNFTSLPY PLFQMELMPD GTFEWHAPFD PDIPLPWLDA EHDVGPALLQ DATA SEQUENCE IFKDGPQKWN GHRIALTFET LSPVQVCAAF SRALNRRVTY VQVPKVEIKV DATA SEQUENCE NIPVGYREQL EAIEVVFGEH KAPYFPLPEF SXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXQRVTDEAR KLWSGWRDME EYAREVFPIE EEANGLDWML 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.992 176.000 -0.013 0.000 1.003 3 Q CA 0.000 55.811 55.803 0.014 0.000 1.022 3 Q CB 0.000 28.747 28.738 0.014 0.000 1.108 4 Q N 1.576 121.361 119.800 -0.026 0.000 2.317 4 Q HA 0.333 4.673 4.340 -0.000 0.000 0.229 4 Q C -0.522 175.411 176.000 -0.112 0.000 0.984 4 Q CA -0.107 55.659 55.803 -0.063 0.000 0.911 4 Q CB 0.799 29.509 28.738 -0.046 0.000 1.217 4 Q HN -0.016 nan 8.270 nan 0.000 0.501 5 K N 2.215 122.478 120.400 -0.229 0.000 2.250 5 K HA 0.203 4.523 4.320 -0.000 0.000 0.285 5 K C -0.471 176.006 176.600 -0.204 0.000 1.097 5 K CA -0.063 55.908 56.287 -0.527 0.000 0.913 5 K CB 0.043 32.104 32.500 -0.732 0.000 1.179 5 K HN 0.421 nan 8.250 nan 0.000 0.462 6 K N 0.975 121.405 120.400 0.051 0.000 2.138 6 K HA 0.199 4.519 4.320 -0.000 0.000 0.251 6 K C 0.230 176.991 176.600 0.268 0.000 1.015 6 K CA -0.332 56.074 56.287 0.198 0.000 0.917 6 K CB 0.474 33.088 32.500 0.190 0.000 1.021 6 K HN 0.266 nan 8.250 nan 0.000 0.485 7 T N 1.815 116.533 114.554 0.274 0.000 2.817 7 T HA 0.314 4.664 4.350 -0.000 0.000 0.293 7 T C 0.222 174.970 174.700 0.080 0.000 0.964 7 T CA -0.369 61.849 62.100 0.197 0.000 1.085 7 T CB 0.133 69.105 68.868 0.174 0.000 0.921 7 T HN 0.290 nan 8.240 nan 0.000 0.502 8 I N 2.475 123.061 120.570 0.028 0.000 2.378 8 I HA 0.557 4.727 4.170 -0.000 0.000 0.291 8 I C 0.373 176.501 176.117 0.019 0.000 0.992 8 I CA -1.142 60.127 61.300 -0.051 0.000 1.154 8 I CB 1.466 39.356 38.000 -0.183 0.000 1.315 8 I HN 0.586 nan 8.210 nan 0.000 0.448 9 A N 6.671 129.520 122.820 0.049 0.000 2.301 9 A HA 0.810 5.130 4.320 -0.000 0.000 0.298 9 A C -0.437 177.150 177.584 0.005 0.000 1.185 9 A CA -0.346 51.688 52.037 -0.004 0.000 0.830 9 A CB 0.824 19.792 19.000 -0.053 0.000 1.112 9 A HN 0.509 nan 8.150 nan 0.000 0.508 10 V N 2.391 122.294 119.914 -0.019 0.000 3.087 10 V HA 0.636 4.756 4.120 -0.000 0.000 0.306 10 V C -0.152 175.940 176.094 -0.004 0.000 1.187 10 V CA -0.495 61.821 62.300 0.027 0.000 0.999 10 V CB 1.777 33.662 31.823 0.103 0.000 1.049 10 V HN 1.210 nan 8.190 nan 0.000 0.431 11 V N -0.364 119.549 119.914 -0.002 0.000 3.113 11 V HA 0.657 4.777 4.120 -0.000 0.000 0.316 11 V C 0.427 176.541 176.094 0.034 0.000 1.125 11 V CA -0.423 61.882 62.300 0.008 0.000 1.026 11 V CB 1.552 33.375 31.823 0.001 0.000 1.080 11 V HN 1.093 nan 8.190 nan 0.000 0.444 12 N N -0.016 118.711 118.700 0.045 0.000 2.714 12 N HA -0.250 4.490 4.740 -0.000 0.000 0.253 12 N C 1.174 176.719 175.510 0.059 0.000 1.024 12 N CA 0.498 53.579 53.050 0.052 0.000 0.726 12 N CB -0.542 37.969 38.487 0.041 0.000 0.908 12 N HN 1.372 nan 8.380 nan 0.000 0.542 13 A N 0.169 123.021 122.820 0.054 0.000 1.978 13 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 13 A C 2.166 179.770 177.584 0.033 0.000 1.170 13 A CA 2.176 54.240 52.037 0.045 0.000 0.636 13 A CB -0.699 18.318 19.000 0.029 0.000 0.810 13 A HN 0.816 nan 8.150 nan 0.000 0.448 14 T N -2.627 111.947 114.554 0.033 0.000 3.148 14 T HA 0.340 4.690 4.350 -0.000 0.000 0.253 14 T C 0.975 175.687 174.700 0.021 0.000 1.134 14 T CA 0.344 62.457 62.100 0.022 0.000 1.051 14 T CB -0.395 68.488 68.868 0.026 0.000 0.959 14 T HN 0.484 nan 8.240 nan 0.000 0.525 15 G N 0.781 109.602 108.800 0.036 0.000 2.544 15 G HA2 0.297 4.257 3.960 -0.000 0.000 0.242 15 G HA3 0.297 4.257 3.960 -0.000 0.000 0.242 15 G C 0.677 175.587 174.900 0.016 0.000 1.247 15 G CA -0.831 44.294 45.100 0.042 0.000 0.840 15 G HN 0.307 nan 8.290 nan 0.000 0.578 16 R N 0.150 120.637 120.500 -0.021 0.000 2.096 16 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 16 R C 2.726 178.949 176.300 -0.128 0.000 1.127 16 R CA 1.708 57.730 56.100 -0.131 0.000 0.968 16 R CB -0.091 30.012 30.300 -0.328 0.000 0.861 16 R HN 0.686 nan 8.270 nan 0.000 0.440 17 Q N -0.121 119.663 119.800 -0.025 0.000 2.016 17 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 17 Q C 2.276 178.267 176.000 -0.014 0.000 0.978 17 Q CA 1.587 57.400 55.803 0.017 0.000 0.833 17 Q CB -0.144 28.744 28.738 0.250 0.000 0.895 17 Q HN 0.360 nan 8.270 nan 0.000 0.427 18 A N 1.231 124.133 122.820 0.137 0.000 1.858 18 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 18 A C 2.351 179.935 177.584 -0.001 0.000 1.190 18 A CA 1.663 53.778 52.037 0.131 0.000 0.617 18 A CB -1.026 18.083 19.000 0.182 0.000 0.827 18 A HN 0.408 nan 8.150 nan 0.000 0.443 19 A N -0.684 122.129 122.820 -0.010 0.000 1.948 19 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 19 A C 2.487 180.026 177.584 -0.075 0.000 1.177 19 A CA 2.470 54.485 52.037 -0.037 0.000 0.636 19 A CB -1.044 17.935 19.000 -0.034 0.000 0.815 19 A HN 0.608 nan 8.150 nan 0.000 0.449 20 S N -1.034 114.601 115.700 -0.109 0.000 2.368 20 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 20 S C 1.909 176.403 174.600 -0.177 0.000 1.030 20 S CA 1.551 59.664 58.200 -0.146 0.000 0.999 20 S CB -0.406 62.691 63.200 -0.173 0.000 0.844 20 S HN 0.551 nan 8.310 nan 0.000 0.459 21 L N 1.408 122.507 121.223 -0.207 0.000 2.072 21 L HA 0.179 4.519 4.340 -0.000 0.000 0.205 21 L C 2.022 178.809 176.870 -0.138 0.000 1.079 21 L CA 1.522 56.230 54.840 -0.221 0.000 0.752 21 L CB -0.578 41.301 42.059 -0.300 0.000 0.906 21 L HN 0.385 nan 8.230 nan 0.000 0.436 22 I N -0.469 120.047 120.570 -0.090 0.000 2.127 22 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 22 I C 2.670 178.749 176.117 -0.063 0.000 1.075 22 I CA 1.579 62.844 61.300 -0.057 0.000 1.334 22 I CB -0.410 37.572 38.000 -0.030 0.000 1.040 22 I HN 0.255 nan 8.210 nan 0.000 0.405 23 R N 0.054 120.511 120.500 -0.071 0.000 2.096 23 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 23 R C 2.350 178.602 176.300 -0.079 0.000 1.139 23 R CA 1.636 57.695 56.100 -0.069 0.000 0.952 23 R CB -0.783 29.472 30.300 -0.075 0.000 0.854 23 R HN 0.267 nan 8.270 nan 0.000 0.436 24 V N 0.709 120.557 119.914 -0.110 0.000 2.453 24 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 24 V C 2.133 178.177 176.094 -0.082 0.000 1.048 24 V CA 1.871 64.097 62.300 -0.123 0.000 1.049 24 V CB -0.177 31.530 31.823 -0.193 0.000 0.672 24 V HN 0.426 nan 8.190 nan 0.000 0.457 25 A N -0.153 122.617 122.820 -0.083 0.000 1.854 25 A HA 0.027 4.347 4.320 -0.000 0.000 0.214 25 A C 2.426 180.035 177.584 0.042 0.000 1.192 25 A CA 1.876 53.885 52.037 -0.047 0.000 0.611 25 A CB -1.064 17.847 19.000 -0.148 0.000 0.832 25 A HN 0.723 nan 8.150 nan 0.000 0.442 26 A N 0.011 122.830 122.820 -0.002 0.000 1.883 26 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 26 A C 2.526 180.099 177.584 -0.017 0.000 1.186 26 A CA 2.305 54.340 52.037 -0.004 0.000 0.624 26 A CB -1.156 17.836 19.000 -0.013 0.000 0.822 26 A HN 1.116 nan 8.150 nan 0.000 0.444 27 A N -0.053 122.752 122.820 -0.025 0.000 1.892 27 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 27 A C 2.259 179.825 177.584 -0.030 0.000 1.188 27 A CA 2.523 54.540 52.037 -0.032 0.000 0.631 27 A CB -1.357 17.617 19.000 -0.043 0.000 0.822 27 A HN 1.293 nan 8.150 nan 0.000 0.447 28 V N -3.649 116.258 119.914 -0.011 0.000 3.510 28 V HA 0.466 4.586 4.120 -0.000 0.000 0.270 28 V C 1.335 177.387 176.094 -0.070 0.000 1.201 28 V CA 1.355 63.645 62.300 -0.017 0.000 1.166 28 V CB -0.587 31.250 31.823 0.024 0.000 0.825 28 V HN 1.646 nan 8.190 nan 0.000 0.484 29 G N -1.032 107.715 108.800 -0.087 0.000 2.205 29 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.180 29 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.180 29 G C -0.013 174.689 174.900 -0.329 0.000 1.004 29 G CA 0.067 45.047 45.100 -0.200 0.000 0.670 29 G HN 0.682 nan 8.290 nan 0.000 0.496 30 H N 0.701 119.652 119.070 -0.199 0.000 2.551 30 H HA 0.345 4.901 4.556 -0.000 0.000 0.358 30 H C -0.138 175.049 175.328 -0.236 0.000 1.151 30 H CA -0.013 55.907 56.048 -0.213 0.000 1.374 30 H CB 0.621 30.307 29.762 -0.126 0.000 1.473 30 H HN 0.239 nan 8.280 nan 0.000 0.574 31 H N 1.509 120.644 119.070 0.108 0.000 2.604 31 H HA 0.183 4.739 4.556 -0.000 0.000 0.306 31 H C -0.214 175.145 175.328 0.051 0.000 1.075 31 H CA -0.350 55.733 56.048 0.057 0.000 1.357 31 H CB 1.026 30.816 29.762 0.047 0.000 1.426 31 H HN 0.179 nan 8.280 nan 0.000 0.470 32 V N 5.152 125.145 119.914 0.133 0.000 2.483 32 V HA 0.362 4.482 4.120 -0.000 0.000 0.295 32 V C 0.357 176.489 176.094 0.065 0.000 1.035 32 V CA -0.724 61.618 62.300 0.071 0.000 0.896 32 V CB 1.670 33.509 31.823 0.027 0.000 0.986 32 V HN 0.675 nan 8.190 nan 0.000 0.447 33 R N 3.052 123.601 120.500 0.082 0.000 2.388 33 R HA 0.780 5.120 4.340 -0.000 0.000 0.314 33 R C -0.683 175.694 176.300 0.129 0.000 0.959 33 R CA -0.246 55.947 56.100 0.156 0.000 0.851 33 R CB 1.905 32.347 30.300 0.236 0.000 1.168 33 R HN 0.821 nan 8.270 nan 0.000 0.472 34 A N 2.228 125.110 122.820 0.103 0.000 2.401 34 A HA 0.424 4.744 4.320 -0.000 0.000 0.310 34 A C -1.239 176.429 177.584 0.140 0.000 1.075 34 A CA -0.704 51.385 52.037 0.087 0.000 0.746 34 A CB 1.984 21.003 19.000 0.032 0.000 1.277 34 A HN 0.494 nan 8.150 nan 0.000 0.425 35 Q N 1.072 120.937 119.800 0.109 0.000 2.245 35 Q HA 0.645 4.985 4.340 -0.000 0.000 0.256 35 Q C -1.132 174.914 176.000 0.077 0.000 0.942 35 Q CA -0.422 55.450 55.803 0.116 0.000 0.896 35 Q CB 1.583 30.363 28.738 0.070 0.000 1.272 35 Q HN 1.326 nan 8.270 nan 0.000 0.442 36 V N 1.112 121.071 119.914 0.076 0.000 3.049 36 V HA 0.308 4.428 4.120 -0.000 0.000 0.309 36 V C 0.431 176.580 176.094 0.093 0.000 1.148 36 V CA -0.658 61.686 62.300 0.074 0.000 0.990 36 V CB 1.527 33.374 31.823 0.041 0.000 1.039 36 V HN 1.001 nan 8.190 nan 0.000 0.430 37 H N 2.072 121.155 119.070 0.021 0.000 2.395 37 H HA 0.355 4.911 4.556 -0.000 0.000 0.299 37 H C 0.696 176.035 175.328 0.017 0.000 1.070 37 H CA 1.801 57.861 56.048 0.021 0.000 1.356 37 H CB 0.457 30.229 29.762 0.017 0.000 1.401 37 H HN 0.825 nan 8.280 nan 0.000 0.524 38 S N -1.252 114.456 115.700 0.014 0.000 2.537 38 S HA 0.287 4.757 4.470 -0.000 0.000 0.270 38 S C 0.181 174.779 174.600 -0.003 0.000 1.142 38 S CA -0.698 57.480 58.200 -0.037 0.000 0.870 38 S CB 1.569 64.767 63.200 -0.003 0.000 1.112 38 S HN 0.235 nan 8.310 nan 0.000 0.466 39 L N 0.897 122.109 121.223 -0.019 0.000 2.591 39 L HA 0.228 4.568 4.340 -0.000 0.000 0.228 39 L C 0.184 177.050 176.870 -0.007 0.000 1.133 39 L CA 0.522 55.353 54.840 -0.016 0.000 0.880 39 L CB -0.275 41.768 42.059 -0.026 0.000 1.033 39 L HN 0.369 nan 8.230 nan 0.000 0.450 40 K N 1.615 122.016 120.400 0.001 0.000 2.250 40 K HA 0.554 4.874 4.320 -0.000 0.000 0.285 40 K C 0.173 176.783 176.600 0.017 0.000 1.097 40 K CA -0.147 56.145 56.287 0.008 0.000 0.913 40 K CB 0.900 33.407 32.500 0.012 0.000 1.179 40 K HN 0.153 nan 8.250 nan 0.000 0.462 41 G N 1.209 110.017 108.800 0.012 0.000 2.352 41 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.305 41 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.305 41 G C -0.301 174.605 174.900 0.009 0.000 1.537 41 G CA -0.968 44.141 45.100 0.015 0.000 0.959 41 G HN 0.401 nan 8.290 nan 0.000 0.668 42 L N 1.345 122.575 121.223 0.010 0.000 1.956 42 L HA -0.030 4.310 4.340 -0.000 0.000 0.216 42 L C 2.798 179.669 176.870 0.001 0.000 1.073 42 L CA 2.747 57.590 54.840 0.006 0.000 0.762 42 L CB -0.911 41.153 42.059 0.009 0.000 0.889 42 L HN 0.704 nan 8.230 nan 0.000 0.433 43 I N -0.174 120.398 120.570 0.003 0.000 2.151 43 I HA -0.378 3.792 4.170 -0.000 0.000 0.243 43 I C 2.656 178.770 176.117 -0.004 0.000 1.080 43 I CA 1.529 62.828 61.300 -0.001 0.000 1.339 43 I CB -0.905 37.096 38.000 0.002 0.000 1.039 43 I HN 0.482 nan 8.210 nan 0.000 0.409 44 A N 0.557 123.377 122.820 0.001 0.000 1.865 44 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 44 A C 2.247 179.823 177.584 -0.013 0.000 1.191 44 A CA 2.096 54.131 52.037 -0.004 0.000 0.623 44 A CB -0.781 18.221 19.000 0.003 0.000 0.826 44 A HN 0.478 nan 8.150 nan 0.000 0.444 45 E N -0.734 119.459 120.200 -0.011 0.000 2.085 45 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 45 E C 2.087 178.676 176.600 -0.018 0.000 0.994 45 E CA 1.233 57.624 56.400 -0.015 0.000 0.801 45 E CB -0.169 29.524 29.700 -0.010 0.000 0.743 45 E HN 0.808 nan 8.360 nan 0.000 0.453 46 E N 1.016 121.207 120.200 -0.015 0.000 2.033 46 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 46 E C 2.177 178.764 176.600 -0.023 0.000 1.011 46 E CA 1.192 57.582 56.400 -0.018 0.000 0.815 46 E CB -0.121 29.570 29.700 -0.016 0.000 0.755 46 E HN 0.203 nan 8.360 nan 0.000 0.451 47 L N 0.418 121.626 121.223 -0.024 0.000 2.043 47 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 47 L C 2.936 179.783 176.870 -0.038 0.000 1.075 47 L CA 1.671 56.494 54.840 -0.030 0.000 0.752 47 L CB -0.587 41.456 42.059 -0.027 0.000 0.891 47 L HN 0.298 nan 8.230 nan 0.000 0.432 48 Q N 0.364 120.140 119.800 -0.041 0.000 2.077 48 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 48 Q C 2.151 178.125 176.000 -0.043 0.000 0.989 48 Q CA 2.250 58.023 55.803 -0.051 0.000 0.853 48 Q CB -0.256 28.454 28.738 -0.046 0.000 0.907 48 Q HN 0.467 nan 8.270 nan 0.000 0.418 49 A N -0.027 122.774 122.820 -0.033 0.000 2.121 49 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 49 A C 0.727 178.295 177.584 -0.025 0.000 1.154 49 A CA 0.309 52.330 52.037 -0.027 0.000 0.679 49 A CB -0.575 18.411 19.000 -0.022 0.000 0.795 49 A HN 0.440 nan 8.150 nan 0.000 0.458 50 I N 0.637 121.191 120.570 -0.027 0.000 2.517 50 I HA 0.041 4.211 4.170 -0.000 0.000 0.285 50 I C -1.380 174.726 176.117 -0.018 0.000 1.106 50 I CA -1.505 59.782 61.300 -0.023 0.000 1.402 50 I CB 0.723 38.708 38.000 -0.025 0.000 1.399 50 I HN 0.064 nan 8.210 nan 0.000 0.535 51 P HA -0.238 nan 4.420 nan 0.000 0.221 51 P C 0.522 177.832 177.300 0.017 0.000 1.160 51 P CA 1.858 64.957 63.100 -0.001 0.000 0.933 51 P CB 0.031 31.731 31.700 0.001 0.000 0.793 52 N N -1.477 117.241 118.700 0.030 0.000 2.313 52 N HA 0.128 4.868 4.740 -0.000 0.000 0.207 52 N C -0.774 174.773 175.510 0.063 0.000 1.141 52 N CA -0.358 52.743 53.050 0.085 0.000 0.830 52 N CB 0.266 38.805 38.487 0.088 0.000 1.008 52 N HN -0.032 nan 8.380 nan 0.000 0.481 53 V N 1.178 121.097 119.914 0.007 0.000 2.370 53 V HA 0.217 4.337 4.120 -0.000 0.000 0.283 53 V C 0.196 176.241 176.094 -0.082 0.000 1.023 53 V CA -0.390 61.896 62.300 -0.024 0.000 0.857 53 V CB 1.465 33.267 31.823 -0.034 0.000 0.985 53 V HN 0.020 nan 8.190 nan 0.000 0.443 54 T N 7.077 121.555 114.554 -0.127 0.000 2.771 54 T HA 0.618 4.968 4.350 -0.000 0.000 0.281 54 T C -0.224 174.179 174.700 -0.495 0.000 0.982 54 T CA -0.215 61.709 62.100 -0.294 0.000 0.978 54 T CB 0.707 69.403 68.868 -0.287 0.000 0.930 54 T HN 0.328 nan 8.240 nan 0.000 0.447 55 L N 3.220 124.123 121.223 -0.534 0.000 2.344 55 L HA 0.661 5.001 4.340 -0.000 0.000 0.272 55 L C -0.996 175.414 176.870 -0.766 0.000 1.035 55 L CA -0.905 53.644 54.840 -0.486 0.000 0.807 55 L CB 1.088 43.014 42.059 -0.221 0.000 1.237 55 L HN 0.560 nan 8.230 nan 0.000 0.442 56 F N 0.806 120.738 119.950 -0.030 0.000 2.553 56 F HA 0.315 4.842 4.527 -0.000 0.000 0.335 56 F C 0.045 175.827 175.800 -0.031 0.000 1.148 56 F CA -0.539 57.441 58.000 -0.033 0.000 0.963 56 F CB 1.545 40.519 39.000 -0.045 0.000 1.217 56 F HN 0.370 nan 8.300 nan 0.000 0.441 57 Q N 2.643 122.504 119.800 0.101 0.000 2.296 57 Q HA 0.692 5.032 4.340 -0.000 0.000 0.257 57 Q C -0.286 175.732 176.000 0.030 0.000 0.942 57 Q CA -0.310 55.515 55.803 0.036 0.000 0.939 57 Q CB 1.417 30.148 28.738 -0.012 0.000 1.198 57 Q HN 0.972 nan 8.270 nan 0.000 0.429 58 G N 3.911 112.718 108.800 0.012 0.000 2.361 58 G HA2 0.196 4.156 3.960 -0.000 0.000 0.299 58 G HA3 0.196 4.156 3.960 -0.000 0.000 0.299 58 G C -3.208 171.715 174.900 0.039 0.000 1.544 58 G CA -0.892 44.210 45.100 0.003 0.000 0.860 58 G HN 0.513 nan 8.290 nan 0.000 0.610 59 P HA 0.318 nan 4.420 nan 0.000 0.274 59 P C 0.639 177.990 177.300 0.084 0.000 1.237 59 P CA -0.466 62.709 63.100 0.124 0.000 0.793 59 P CB 1.693 33.465 31.700 0.121 0.000 0.977 60 L N 0.280 121.556 121.223 0.088 0.000 2.253 60 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 60 L C 1.401 178.303 176.870 0.053 0.000 1.078 60 L CA -0.031 54.846 54.840 0.062 0.000 0.805 60 L CB -0.350 41.747 42.059 0.064 0.000 0.963 60 L HN 0.289 nan 8.230 nan 0.000 0.459 61 L N 1.729 122.985 121.223 0.054 0.000 2.540 61 L HA -0.034 4.306 4.340 -0.000 0.000 0.276 61 L C 0.372 177.263 176.870 0.035 0.000 1.212 61 L CA 0.573 55.438 54.840 0.042 0.000 0.893 61 L CB -0.656 41.427 42.059 0.040 0.000 1.138 61 L HN 0.317 nan 8.230 nan 0.000 0.491 62 N N 2.682 121.398 118.700 0.026 0.000 2.699 62 N HA -0.286 4.454 4.740 -0.000 0.000 0.256 62 N C -0.580 174.943 175.510 0.022 0.000 0.993 62 N CA 0.873 53.935 53.050 0.021 0.000 0.759 62 N CB -1.042 37.457 38.487 0.019 0.000 0.906 62 N HN 0.684 nan 8.380 nan 0.000 0.541 63 N N 0.044 118.758 118.700 0.024 0.000 2.697 63 N HA 0.120 4.860 4.740 -0.000 0.000 0.253 63 N C 0.627 176.147 175.510 0.016 0.000 1.604 63 N CA -0.266 52.795 53.050 0.019 0.000 0.772 63 N CB 0.295 38.794 38.487 0.021 0.000 1.267 63 N HN 0.092 nan 8.380 nan 0.000 0.510 64 V N -0.923 119.002 119.914 0.019 0.000 2.594 64 V HA 0.105 4.225 4.120 -0.000 0.000 0.253 64 V C -1.008 175.091 176.094 0.009 0.000 1.069 64 V CA 0.920 63.235 62.300 0.025 0.000 1.082 64 V CB -1.449 30.391 31.823 0.028 0.000 0.680 64 V HN 0.237 nan 8.190 nan 0.000 0.469 65 P HA -0.099 nan 4.420 nan 0.000 0.218 65 P C 1.990 179.253 177.300 -0.062 0.000 1.149 65 P CA 1.228 64.314 63.100 -0.024 0.000 0.817 65 P CB -0.082 31.607 31.700 -0.018 0.000 0.785 66 L N -1.123 120.062 121.223 -0.064 0.000 2.044 66 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 66 L C 2.156 178.923 176.870 -0.172 0.000 1.075 66 L CA 1.919 56.685 54.840 -0.124 0.000 0.747 66 L CB -1.435 40.584 42.059 -0.067 0.000 0.903 66 L HN -0.113 nan 8.230 nan 0.000 0.435 67 M N -0.636 118.915 119.600 -0.083 0.000 2.149 67 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 67 M C 1.780 178.068 176.300 -0.021 0.000 1.064 67 M CA 1.715 56.977 55.300 -0.063 0.000 1.102 67 M CB -0.708 31.950 32.600 0.096 0.000 1.369 67 M HN 0.250 nan 8.290 nan 0.000 0.408 68 D N 0.087 120.488 120.400 0.003 0.000 2.117 68 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 68 D C 2.013 178.274 176.300 -0.066 0.000 0.987 68 D CA 1.584 55.602 54.000 0.031 0.000 0.829 68 D CB -0.294 40.511 40.800 0.009 0.000 0.961 68 D HN 0.319 nan 8.370 nan 0.000 0.460 69 T N 1.390 115.821 114.554 -0.204 0.000 2.821 69 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 69 T C 1.944 176.353 174.700 -0.486 0.000 1.046 69 T CA 0.320 62.209 62.100 -0.352 0.000 1.139 69 T CB -0.277 68.278 68.868 -0.522 0.000 0.871 69 T HN 0.023 nan 8.240 nan 0.000 0.454 70 L N 0.686 121.581 121.223 -0.547 0.000 2.013 70 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 70 L C 1.596 178.225 176.870 -0.402 0.000 1.073 70 L CA 1.882 56.393 54.840 -0.548 0.000 0.753 70 L CB -0.748 40.930 42.059 -0.635 0.000 0.890 70 L HN 0.191 nan 8.230 nan 0.000 0.432 71 F N -0.160 119.751 119.950 -0.064 0.000 2.797 71 F HA 0.146 4.673 4.527 -0.000 0.000 0.302 71 F C 1.113 176.880 175.800 -0.054 0.000 1.130 71 F CA -0.465 57.519 58.000 -0.027 0.000 1.387 71 F CB -0.691 38.317 39.000 0.012 0.000 1.107 71 F HN 0.086 nan 8.300 nan 0.000 0.577 72 E N 0.418 120.651 120.200 0.055 0.000 2.498 72 E HA 0.202 4.552 4.350 -0.000 0.000 0.252 72 E C 1.330 177.926 176.600 -0.007 0.000 1.025 72 E CA 0.666 57.077 56.400 0.017 0.000 0.938 72 E CB -0.018 29.671 29.700 -0.018 0.000 0.947 72 E HN 0.440 nan 8.360 nan 0.000 0.478 73 G N 2.588 111.361 108.800 -0.045 0.000 2.168 73 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 73 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 73 G C 0.249 174.977 174.900 -0.287 0.000 0.997 73 G CA 0.184 45.204 45.100 -0.132 0.000 0.708 73 G HN 0.720 nan 8.290 nan 0.000 0.520 74 A N -0.505 122.199 122.820 -0.194 0.000 2.310 74 A HA 0.759 5.079 4.320 -0.000 0.000 0.299 74 A C 0.793 178.199 177.584 -0.297 0.000 1.147 74 A CA -0.089 51.863 52.037 -0.141 0.000 0.818 74 A CB 0.510 19.581 19.000 0.118 0.000 1.096 74 A HN 0.429 nan 8.150 nan 0.000 0.495 75 H N 1.344 120.479 119.070 0.108 0.000 3.058 75 H HA 0.353 4.909 4.556 -0.000 0.000 0.258 75 H C -0.398 174.980 175.328 0.085 0.000 1.015 75 H CA 0.417 56.521 56.048 0.094 0.000 1.210 75 H CB 0.416 30.223 29.762 0.076 0.000 1.481 75 H HN 0.471 nan 8.280 nan 0.000 0.492 76 L N 0.143 121.424 121.223 0.097 0.000 2.376 76 L HA 0.771 5.111 4.340 -0.000 0.000 0.258 76 L C -0.731 176.149 176.870 0.017 0.000 1.013 76 L CA -1.199 53.612 54.840 -0.050 0.000 0.822 76 L CB 2.650 44.344 42.059 -0.609 0.000 1.388 76 L HN -0.037 nan 8.230 nan 0.000 0.413 77 A N 1.317 124.207 122.820 0.116 0.000 2.566 77 A HA 0.731 5.051 4.320 -0.000 0.000 0.297 77 A C -2.016 175.679 177.584 0.185 0.000 1.059 77 A CA -0.323 51.796 52.037 0.136 0.000 0.691 77 A CB 1.666 20.767 19.000 0.169 0.000 1.282 77 A HN 0.503 nan 8.150 nan 0.000 0.401 78 F N 4.043 124.011 119.950 0.031 0.000 2.496 78 F HA 0.706 5.233 4.527 -0.000 0.000 0.341 78 F C -1.355 174.400 175.800 -0.074 0.000 1.134 78 F CA -1.308 56.684 58.000 -0.013 0.000 0.968 78 F CB 1.018 40.043 39.000 0.043 0.000 1.205 78 F HN 0.365 nan 8.300 nan 0.000 0.436 79 I N 5.435 125.484 120.570 -0.868 0.000 2.389 79 I HA 0.300 4.470 4.170 -0.000 0.000 0.288 79 I C -0.869 174.762 176.117 -0.811 0.000 0.999 79 I CA -0.619 60.325 61.300 -0.592 0.000 1.129 79 I CB 1.415 39.327 38.000 -0.145 0.000 1.288 79 I HN 0.613 nan 8.210 nan 0.000 0.444 80 N N 4.712 123.056 118.700 -0.593 0.000 2.648 80 N HA 0.249 4.989 4.740 -0.000 0.000 0.261 80 N C -0.297 175.118 175.510 -0.157 0.000 1.138 80 N CA -0.324 52.465 53.050 -0.435 0.000 0.804 80 N CB 1.038 39.344 38.487 -0.301 0.000 1.237 80 N HN 0.656 nan 8.380 nan 0.000 0.532 81 T N -0.262 114.243 114.554 -0.083 0.000 2.726 81 T HA 0.544 4.894 4.350 -0.000 0.000 0.294 81 T C 0.482 175.200 174.700 0.031 0.000 1.013 81 T CA -0.377 61.738 62.100 0.025 0.000 0.996 81 T CB 0.907 69.842 68.868 0.112 0.000 1.016 81 T HN 0.500 nan 8.240 nan 0.000 0.529 82 T N -2.749 111.832 114.554 0.045 0.000 2.903 82 T HA 0.488 4.838 4.350 -0.000 0.000 0.299 82 T C 1.215 175.943 174.700 0.045 0.000 1.093 82 T CA -0.291 61.836 62.100 0.044 0.000 1.002 82 T CB 1.685 70.564 68.868 0.019 0.000 1.127 82 T HN 0.734 nan 8.240 nan 0.000 0.488 83 S N 1.259 116.990 115.700 0.051 0.000 2.423 83 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 83 S C 1.709 176.321 174.600 0.020 0.000 1.014 83 S CA 0.794 59.023 58.200 0.049 0.000 0.965 83 S CB -0.720 62.517 63.200 0.062 0.000 0.785 83 S HN 0.787 nan 8.310 nan 0.000 0.495 84 Q N 1.568 121.363 119.800 -0.007 0.000 2.084 84 Q HA 0.054 4.394 4.340 -0.000 0.000 0.202 84 Q C 2.494 178.466 176.000 -0.047 0.000 0.978 84 Q CA 1.425 57.205 55.803 -0.039 0.000 0.844 84 Q CB -0.625 28.066 28.738 -0.078 0.000 0.898 84 Q HN 0.767 nan 8.270 nan 0.000 0.426 85 A N 0.647 123.445 122.820 -0.037 0.000 2.234 85 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 85 A C 1.057 178.645 177.584 0.007 0.000 1.167 85 A CA 1.172 53.196 52.037 -0.022 0.000 0.698 85 A CB -0.735 18.272 19.000 0.011 0.000 0.779 85 A HN 0.483 nan 8.150 nan 0.000 0.475 86 G N -1.104 107.703 108.800 0.012 0.000 2.422 86 G HA2 0.065 4.025 3.960 -0.000 0.000 0.607 86 G HA3 0.065 4.025 3.960 -0.000 0.000 0.607 86 G C -0.661 174.258 174.900 0.032 0.000 1.270 86 G CA -0.195 44.918 45.100 0.022 0.000 0.992 86 G HN 0.576 nan 8.290 nan 0.000 0.499 87 D N 0.376 120.794 120.400 0.030 0.000 2.899 87 D HA 0.067 4.707 4.640 -0.000 0.000 0.254 87 D C 1.555 177.879 176.300 0.041 0.000 1.320 87 D CA 1.075 55.094 54.000 0.032 0.000 0.929 87 D CB 0.237 41.049 40.800 0.020 0.000 1.148 87 D HN 0.488 nan 8.370 nan 0.000 0.571 88 E N 2.744 122.980 120.200 0.060 0.000 2.204 88 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 88 E C 1.805 178.449 176.600 0.072 0.000 0.989 88 E CA 0.590 57.041 56.400 0.084 0.000 0.824 88 E CB 0.159 29.931 29.700 0.119 0.000 0.756 88 E HN 0.681 nan 8.360 nan 0.000 0.477 89 I N 0.653 121.247 120.570 0.041 0.000 2.233 89 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 89 I C 2.549 178.627 176.117 -0.064 0.000 1.093 89 I CA 0.755 62.050 61.300 -0.009 0.000 1.380 89 I CB -0.289 37.703 38.000 -0.013 0.000 1.067 89 I HN 0.058 nan 8.210 nan 0.000 0.413 90 A N 1.274 124.068 122.820 -0.043 0.000 1.902 90 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 90 A C 2.292 179.851 177.584 -0.041 0.000 1.181 90 A CA 1.505 53.505 52.037 -0.060 0.000 0.623 90 A CB -0.803 18.180 19.000 -0.028 0.000 0.818 90 A HN 0.356 nan 8.150 nan 0.000 0.443 91 I N -0.373 120.200 120.570 0.005 0.000 2.142 91 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 91 I C 2.773 178.926 176.117 0.059 0.000 1.078 91 I CA 1.132 62.456 61.300 0.041 0.000 1.343 91 I CB -0.816 37.223 38.000 0.065 0.000 1.046 91 I HN 0.393 nan 8.210 nan 0.000 0.405 92 G N 1.148 109.983 108.800 0.059 0.000 2.476 92 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 92 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 92 G C 1.737 176.630 174.900 -0.012 0.000 1.164 92 G CA 0.909 46.051 45.100 0.069 0.000 0.768 92 G HN 0.342 nan 8.290 nan 0.000 0.560 93 K N 0.152 120.450 120.400 -0.170 0.000 2.025 93 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 93 K C 2.219 178.756 176.600 -0.105 0.000 1.049 93 K CA 1.193 57.254 56.287 -0.376 0.000 0.933 93 K CB -0.189 31.830 32.500 -0.801 0.000 0.714 93 K HN 0.122 nan 8.250 nan 0.000 0.438 94 D N 1.349 121.722 120.400 -0.046 0.000 2.116 94 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 94 D C 1.991 178.368 176.300 0.129 0.000 0.998 94 D CA 1.094 55.117 54.000 0.038 0.000 0.836 94 D CB -0.289 40.535 40.800 0.040 0.000 0.951 94 D HN 0.107 nan 8.370 nan 0.000 0.449 95 L N 0.658 121.995 121.223 0.189 0.000 2.012 95 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 95 L C 2.601 179.647 176.870 0.295 0.000 1.073 95 L CA 1.304 56.365 54.840 0.368 0.000 0.748 95 L CB -0.496 41.814 42.059 0.419 0.000 0.891 95 L HN -0.012 nan 8.230 nan 0.000 0.431 96 A N 0.005 122.928 122.820 0.171 0.000 1.883 96 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 96 A C 1.943 179.501 177.584 -0.045 0.000 1.186 96 A CA 2.149 54.173 52.037 -0.021 0.000 0.624 96 A CB -0.609 18.459 19.000 0.113 0.000 0.822 96 A HN 0.392 nan 8.150 nan 0.000 0.444 97 D N 0.105 120.555 120.400 0.084 0.000 2.104 97 D HA -0.086 4.554 4.640 -0.000 0.000 0.194 97 D C 2.259 178.556 176.300 -0.004 0.000 0.994 97 D CA 1.635 55.665 54.000 0.050 0.000 0.830 97 D CB -0.605 40.247 40.800 0.087 0.000 0.959 97 D HN 0.431 nan 8.370 nan 0.000 0.452 98 A N 1.177 124.030 122.820 0.055 0.000 1.908 98 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 98 A C 2.338 179.843 177.584 -0.132 0.000 1.181 98 A CA 2.489 54.590 52.037 0.107 0.000 0.627 98 A CB -0.764 18.465 19.000 0.381 0.000 0.818 98 A HN 0.253 nan 8.150 nan 0.000 0.445 99 A N -0.379 122.129 122.820 -0.520 0.000 1.877 99 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 99 A C 2.158 179.514 177.584 -0.380 0.000 1.186 99 A CA 2.011 53.513 52.037 -0.892 0.000 0.620 99 A CB -0.479 18.034 19.000 -0.811 0.000 0.822 99 A HN 0.555 nan 8.150 nan 0.000 0.443 100 K N -0.521 119.728 120.400 -0.252 0.000 2.002 100 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 100 K C 2.351 178.895 176.600 -0.094 0.000 1.048 100 K CA 1.427 57.622 56.287 -0.154 0.000 0.930 100 K CB -0.246 32.178 32.500 -0.126 0.000 0.714 100 K HN 0.403 nan 8.250 nan 0.000 0.438 101 R N -0.035 120.425 120.500 -0.067 0.000 2.096 101 R HA -0.184 4.156 4.340 -0.000 0.000 0.240 101 R C 2.397 178.686 176.300 -0.017 0.000 1.139 101 R CA 1.546 57.630 56.100 -0.026 0.000 0.952 101 R CB -0.511 29.790 30.300 0.001 0.000 0.854 101 R HN 0.314 nan 8.270 nan 0.000 0.436 102 A N -0.178 122.630 122.820 -0.020 0.000 1.917 102 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 102 A C 1.879 179.462 177.584 -0.001 0.000 1.182 102 A CA 1.946 53.987 52.037 0.008 0.000 0.633 102 A CB -0.857 18.167 19.000 0.039 0.000 0.819 102 A HN 0.573 nan 8.150 nan 0.000 0.448 103 G N -2.365 106.420 108.800 -0.025 0.000 2.189 103 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.267 103 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.267 103 G C 0.938 175.858 174.900 0.033 0.000 0.975 103 G CA 1.750 46.848 45.100 -0.004 0.000 0.644 103 G HN 1.515 nan 8.290 nan 0.000 0.537 104 T N -1.730 112.850 114.554 0.044 0.000 3.069 104 T HA 0.510 4.860 4.350 -0.000 0.000 0.252 104 T C 0.969 175.770 174.700 0.168 0.000 1.053 104 T CA -0.117 62.054 62.100 0.118 0.000 0.964 104 T CB 0.488 69.382 68.868 0.043 0.000 1.005 104 T HN 0.266 nan 8.240 nan 0.000 0.532 105 I N 3.038 123.665 120.570 0.096 0.000 2.505 105 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 105 I C 1.070 177.290 176.117 0.172 0.000 1.104 105 I CA 0.364 61.750 61.300 0.143 0.000 1.387 105 I CB 0.414 38.474 38.000 0.100 0.000 1.404 105 I HN 0.377 nan 8.210 nan 0.000 0.528 106 Q N 4.369 124.305 119.800 0.227 0.000 2.384 106 Q HA 0.146 4.486 4.340 -0.000 0.000 0.207 106 Q C 0.093 176.258 176.000 0.275 0.000 0.904 106 Q CA 0.421 56.346 55.803 0.202 0.000 0.933 106 Q CB 0.638 29.484 28.738 0.181 0.000 1.077 106 Q HN 0.640 nan 8.270 nan 0.000 0.522 107 H N -0.645 118.565 119.070 0.235 0.000 3.235 107 H HA 0.151 4.707 4.556 -0.000 0.000 0.324 107 H C -2.122 173.439 175.328 0.388 0.000 1.059 107 H CA -0.735 55.493 56.048 0.301 0.000 1.497 107 H CB 0.896 30.890 29.762 0.385 0.000 1.986 107 H HN 0.056 nan 8.280 nan 0.000 0.444 108 Y N 6.790 127.310 120.300 0.367 0.000 2.369 108 Y HA 0.396 4.946 4.550 -0.000 0.000 0.337 108 Y C -0.983 174.974 175.900 0.096 0.000 0.961 108 Y CA -0.675 57.553 58.100 0.212 0.000 1.186 108 Y CB 0.413 38.942 38.460 0.116 0.000 1.139 108 Y HN 0.485 nan 8.280 nan 0.000 0.494 109 I N 7.398 127.959 120.570 -0.014 0.000 2.321 109 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 109 I C -1.178 174.874 176.117 -0.108 0.000 0.998 109 I CA -0.842 60.401 61.300 -0.094 0.000 1.227 109 I CB 0.843 38.754 38.000 -0.149 0.000 1.368 109 I HN 0.553 nan 8.210 nan 0.000 0.466 110 Y N 5.880 126.123 120.300 -0.095 0.000 2.328 110 Y HA 0.339 4.889 4.550 -0.000 0.000 0.336 110 Y C 0.188 176.130 175.900 0.069 0.000 0.960 110 Y CA -0.531 57.586 58.100 0.027 0.000 1.134 110 Y CB 1.760 40.472 38.460 0.420 0.000 1.166 110 Y HN 0.498 nan 8.280 nan 0.000 0.464 111 S N 4.719 119.983 115.700 -0.727 0.000 2.430 111 S HA 0.319 4.789 4.470 -0.000 0.000 0.282 111 S C -0.180 174.031 174.600 -0.648 0.000 1.186 111 S CA -0.081 57.841 58.200 -0.463 0.000 1.060 111 S CB -0.169 62.827 63.200 -0.340 0.000 0.966 111 S HN 0.744 nan 8.310 nan 0.000 0.501 112 S N 4.447 119.927 115.700 -0.367 0.000 2.739 112 S HA 0.857 5.327 4.470 -0.000 0.000 0.306 112 S C -0.924 173.266 174.600 -0.683 0.000 1.115 112 S CA -0.735 57.246 58.200 -0.366 0.000 0.985 112 S CB 0.642 63.707 63.200 -0.225 0.000 1.133 112 S HN 0.700 nan 8.310 nan 0.000 0.541 113 M N 2.322 121.682 119.600 -0.400 0.000 2.578 113 M HA 0.480 4.960 4.480 -0.000 0.000 0.276 113 M C -2.776 173.621 176.300 0.162 0.000 1.245 113 M CA -2.106 53.064 55.300 -0.216 0.000 0.871 113 M CB 1.920 34.403 32.600 -0.194 0.000 1.722 113 M HN 0.464 nan 8.290 nan 0.000 0.473 114 P HA 0.188 nan 4.420 nan 0.000 0.276 114 P C -0.955 176.547 177.300 0.338 0.000 1.244 114 P CA -0.023 63.249 63.100 0.286 0.000 0.801 114 P CB 0.816 32.586 31.700 0.117 0.000 1.006 115 D N 0.205 120.743 120.400 0.230 0.000 2.477 115 D HA 0.117 4.757 4.640 -0.000 0.000 0.239 115 D C 0.810 177.289 176.300 0.299 0.000 1.102 115 D CA -0.483 53.665 54.000 0.246 0.000 0.901 115 D CB -0.210 40.637 40.800 0.080 0.000 1.026 115 D HN 0.218 nan 8.370 nan 0.000 0.515 116 H N 0.800 120.085 119.070 0.358 0.000 2.460 116 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 116 H C 2.127 177.670 175.328 0.359 0.000 1.103 116 H CA 1.918 58.256 56.048 0.484 0.000 1.292 116 H CB 0.209 30.199 29.762 0.379 0.000 1.376 116 H HN 0.410 nan 8.280 nan 0.000 0.531 117 S N -0.031 115.815 115.700 0.242 0.000 2.474 117 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 117 S C 1.648 176.160 174.600 -0.147 0.000 0.997 117 S CA 0.764 58.990 58.200 0.042 0.000 0.949 117 S CB -0.291 62.925 63.200 0.026 0.000 0.766 117 S HN 0.416 nan 8.310 nan 0.000 0.517 118 L N -0.972 120.068 121.223 -0.304 0.000 2.592 118 L HA 0.305 4.645 4.340 -0.000 0.000 0.227 118 L C 0.847 177.168 176.870 -0.915 0.000 1.127 118 L CA 0.280 54.733 54.840 -0.645 0.000 0.884 118 L CB -0.177 41.355 42.059 -0.879 0.000 1.065 118 L HN 0.295 nan 8.230 nan 0.000 0.457 119 Y N -0.625 119.593 120.300 -0.138 0.000 2.527 119 Y HA 0.548 5.098 4.550 -0.000 0.000 0.247 119 Y C 1.063 176.644 175.900 -0.532 0.000 1.138 119 Y CA -0.395 57.604 58.100 -0.169 0.000 1.228 119 Y CB 1.050 39.531 38.460 0.035 0.000 1.252 119 Y HN -0.011 nan 8.280 nan 0.000 0.531 120 G N -0.052 108.285 108.800 -0.771 0.000 2.349 120 G HA2 0.220 4.180 3.960 -0.000 0.000 0.294 120 G HA3 0.220 4.180 3.960 -0.000 0.000 0.294 120 G C -2.741 171.444 174.900 -1.192 0.000 1.380 120 G CA -1.024 43.209 45.100 -1.446 0.000 0.811 120 G HN -0.325 nan 8.290 nan 0.000 0.519 121 P HA 0.127 nan 4.420 nan 0.000 0.286 121 P C -0.668 176.296 177.300 -0.561 0.000 1.577 121 P CA 0.198 62.932 63.100 -0.611 0.000 0.805 121 P CB -0.239 31.236 31.700 -0.375 0.000 1.706 122 W N 1.327 122.482 121.300 -0.242 0.000 2.655 122 W HA 0.444 5.104 4.660 -0.000 0.000 0.358 122 W C -2.026 174.416 176.519 -0.129 0.000 1.100 122 W CA -2.767 54.408 57.345 -0.284 0.000 1.195 122 W CB -0.079 29.264 29.460 -0.196 0.000 1.403 122 W HN -0.081 nan 8.180 nan 0.000 0.589 123 P HA 0.424 nan 4.420 nan 0.000 0.280 123 P C -0.920 176.449 177.300 0.115 0.000 1.272 123 P CA -0.397 62.751 63.100 0.079 0.000 0.819 123 P CB 1.255 32.980 31.700 0.042 0.000 1.122 124 A N 1.222 124.097 122.820 0.092 0.000 2.362 124 A HA 0.327 4.647 4.320 -0.000 0.000 0.276 124 A C 0.176 177.804 177.584 0.073 0.000 1.153 124 A CA -0.532 51.582 52.037 0.129 0.000 0.813 124 A CB -0.262 18.805 19.000 0.113 0.000 1.081 124 A HN 0.334 nan 8.150 nan 0.000 0.507 125 V N 6.959 126.923 119.914 0.084 0.000 2.397 125 V HA 0.077 4.197 4.120 -0.000 0.000 0.262 125 V C -0.879 175.193 176.094 -0.037 0.000 1.047 125 V CA -0.592 61.641 62.300 -0.112 0.000 1.003 125 V CB 0.602 32.210 31.823 -0.357 0.000 1.037 125 V HN 0.919 nan 8.190 nan 0.000 0.480 126 P HA -0.258 nan 4.420 nan 0.000 0.220 126 P C 1.229 178.563 177.300 0.056 0.000 1.155 126 P CA 1.806 64.912 63.100 0.011 0.000 0.880 126 P CB 0.270 31.962 31.700 -0.013 0.000 0.790 127 M N -3.727 115.877 119.600 0.006 0.000 2.494 127 M HA 0.058 4.538 4.480 -0.000 0.000 0.232 127 M C 1.124 177.660 176.300 0.393 0.000 1.137 127 M CA 0.432 55.814 55.300 0.136 0.000 1.012 127 M CB -0.006 32.657 32.600 0.105 0.000 1.567 127 M HN -0.017 nan 8.290 nan 0.000 0.486 128 W N -0.706 120.663 121.300 0.115 0.000 3.330 128 W HA 0.383 5.043 4.660 -0.000 0.000 0.243 128 W C 2.406 179.027 176.519 0.169 0.000 0.954 128 W CA 0.358 57.783 57.345 0.133 0.000 2.074 128 W CB -1.432 28.116 29.460 0.146 0.000 1.096 128 W HN 0.088 nan 8.180 nan 0.000 0.643 129 A N 1.495 124.577 122.820 0.437 0.000 1.954 129 A HA -0.234 4.086 4.320 -0.000 0.000 0.222 129 A C -0.181 177.584 177.584 0.302 0.000 1.199 129 A CA 2.667 54.905 52.037 0.336 0.000 0.657 129 A CB -2.074 17.078 19.000 0.254 0.000 0.823 129 A HN 0.179 nan 8.150 nan 0.000 0.463 130 P HA -0.165 nan 4.420 nan 0.000 0.216 130 P C 1.150 178.586 177.300 0.227 0.000 1.150 130 P CA 1.579 64.799 63.100 0.200 0.000 0.837 130 P CB -0.095 31.704 31.700 0.164 0.000 0.786 131 K N -1.652 118.920 120.400 0.285 0.000 2.103 131 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 131 K C 1.975 178.764 176.600 0.315 0.000 1.048 131 K CA 1.226 57.729 56.287 0.360 0.000 0.930 131 K CB -0.760 31.928 32.500 0.314 0.000 0.716 131 K HN 0.127 nan 8.250 nan 0.000 0.444 132 F N 2.192 122.232 119.950 0.151 0.000 2.216 132 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 132 F C 2.118 177.939 175.800 0.036 0.000 1.085 132 F CA 1.409 59.470 58.000 0.101 0.000 1.326 132 F CB -0.339 38.751 39.000 0.151 0.000 1.027 132 F HN -0.089 nan 8.300 nan 0.000 0.497 133 T N -0.265 114.332 114.554 0.071 0.000 2.821 133 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 133 T C 2.165 176.788 174.700 -0.128 0.000 1.046 133 T CA 1.488 63.560 62.100 -0.046 0.000 1.139 133 T CB -0.456 68.435 68.868 0.038 0.000 0.871 133 T HN 0.110 nan 8.240 nan 0.000 0.454 134 V N 1.344 121.179 119.914 -0.132 0.000 2.427 134 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 134 V C 2.448 178.300 176.094 -0.403 0.000 1.051 134 V CA 1.626 63.768 62.300 -0.264 0.000 1.048 134 V CB -0.580 30.999 31.823 -0.407 0.000 0.666 134 V HN 0.539 nan 8.190 nan 0.000 0.456 135 E N 1.084 121.006 120.200 -0.463 0.000 2.038 135 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 135 E C 2.037 178.307 176.600 -0.550 0.000 1.000 135 E CA 2.013 58.039 56.400 -0.623 0.000 0.803 135 E CB -0.259 28.986 29.700 -0.760 0.000 0.750 135 E HN 0.751 nan 8.360 nan 0.000 0.448 136 N N -0.983 117.393 118.700 -0.540 0.000 2.205 136 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 136 N C 1.744 177.134 175.510 -0.200 0.000 1.015 136 N CA 1.100 53.919 53.050 -0.385 0.000 0.862 136 N CB -0.212 38.048 38.487 -0.379 0.000 0.986 136 N HN 0.240 nan 8.380 nan 0.000 0.429 137 Y N 1.482 121.628 120.300 -0.257 0.000 2.263 137 Y HA -0.110 4.440 4.550 0.000 0.000 0.292 137 Y C 2.132 177.935 175.900 -0.163 0.000 1.130 137 Y CA 0.794 58.785 58.100 -0.182 0.000 1.179 137 Y CB -0.187 38.172 38.460 -0.168 0.000 0.998 137 Y HN -0.180 nan 8.280 nan 0.000 0.532 138 V N 0.559 120.422 119.914 -0.085 0.000 2.261 138 V HA -0.339 3.781 4.120 -0.000 0.000 0.246 138 V C 2.326 178.369 176.094 -0.086 0.000 1.047 138 V CA 2.369 64.618 62.300 -0.085 0.000 1.015 138 V CB -0.613 31.307 31.823 0.162 0.000 0.642 138 V HN 0.316 nan 8.190 nan 0.000 0.446 139 R N -0.259 120.242 120.500 0.001 0.000 2.091 139 R HA -0.250 4.090 4.340 -0.000 0.000 0.238 139 R C 2.448 178.680 176.300 -0.114 0.000 1.136 139 R CA 1.931 58.032 56.100 0.002 0.000 0.959 139 R CB -0.474 29.814 30.300 -0.021 0.000 0.856 139 R HN 0.597 nan 8.270 nan 0.000 0.437 140 Q N 0.934 120.608 119.800 -0.210 0.000 2.135 140 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 140 Q C 1.851 177.675 176.000 -0.293 0.000 0.981 140 Q CA 1.330 56.977 55.803 -0.261 0.000 0.856 140 Q CB 0.003 28.528 28.738 -0.355 0.000 0.902 140 Q HN 0.405 nan 8.270 nan 0.000 0.425 141 L N -0.816 120.182 121.223 -0.375 0.000 2.552 141 L HA 0.049 4.389 4.340 -0.000 0.000 0.227 141 L C 1.308 178.064 176.870 -0.190 0.000 1.146 141 L CA 0.586 55.239 54.840 -0.310 0.000 0.858 141 L CB -0.187 41.660 42.059 -0.354 0.000 0.969 141 L HN 0.584 nan 8.230 nan 0.000 0.451 142 G N 0.452 109.164 108.800 -0.147 0.000 2.143 142 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.249 142 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.249 142 G C 0.246 175.102 174.900 -0.073 0.000 0.981 142 G CA -0.249 44.798 45.100 -0.089 0.000 0.665 142 G HN 0.235 nan 8.290 nan 0.000 0.528 143 L N 2.208 123.368 121.223 -0.106 0.000 2.455 143 L HA 0.270 4.610 4.340 -0.000 0.000 0.272 143 L C -1.151 175.716 176.870 -0.004 0.000 1.174 143 L CA -1.518 53.266 54.840 -0.094 0.000 0.869 143 L CB 0.484 42.399 42.059 -0.240 0.000 1.130 143 L HN 0.022 nan 8.230 nan 0.000 0.474 144 P HA 0.044 nan 4.420 nan 0.000 0.269 144 P C -0.906 176.478 177.300 0.140 0.000 1.252 144 P CA -0.038 63.098 63.100 0.059 0.000 0.780 144 P CB 0.627 32.353 31.700 0.044 0.000 0.829 145 S N 2.151 117.914 115.700 0.105 0.000 2.627 145 S HA 0.771 5.241 4.470 -0.000 0.000 0.283 145 S C -0.610 173.931 174.600 -0.098 0.000 1.127 145 S CA -0.642 57.591 58.200 0.056 0.000 0.863 145 S CB 1.745 64.895 63.200 -0.084 0.000 1.121 145 S HN 0.287 nan 8.310 nan 0.000 0.479 146 T N 1.655 116.057 114.554 -0.254 0.000 2.893 146 T HA 0.646 4.996 4.350 -0.000 0.000 0.293 146 T C -1.649 172.739 174.700 -0.520 0.000 1.027 146 T CA -0.363 61.629 62.100 -0.179 0.000 0.988 146 T CB 0.655 69.610 68.868 0.146 0.000 1.043 146 T HN 0.496 nan 8.240 nan 0.000 0.461 147 F N 2.177 122.306 119.950 0.299 0.000 2.427 147 F HA 0.523 5.050 4.527 -0.000 0.000 0.348 147 F C 0.304 176.292 175.800 0.314 0.000 1.125 147 F CA -1.191 56.998 58.000 0.315 0.000 0.989 147 F CB 1.330 40.577 39.000 0.412 0.000 1.165 147 F HN 0.328 nan 8.300 nan 0.000 0.442 148 V N 0.898 120.990 119.914 0.297 0.000 2.439 148 V HA 0.498 4.618 4.120 -0.000 0.000 0.282 148 V C -1.284 174.903 176.094 0.155 0.000 1.039 148 V CA -0.787 61.635 62.300 0.202 0.000 0.913 148 V CB 0.920 32.793 31.823 0.083 0.000 0.983 148 V HN 0.561 nan 8.190 nan 0.000 0.460 149 Y N 3.495 123.730 120.300 -0.108 0.000 2.402 149 Y HA 0.733 5.283 4.550 -0.000 0.000 0.332 149 Y C 0.762 176.592 175.900 -0.116 0.000 0.960 149 Y CA -0.475 57.502 58.100 -0.204 0.000 1.228 149 Y CB 1.325 39.392 38.460 -0.654 0.000 1.120 149 Y HN 1.026 nan 8.280 nan 0.000 0.491 150 A N 2.669 125.562 122.820 0.122 0.000 2.450 150 A HA 0.578 4.898 4.320 -0.000 0.000 0.255 150 A C 0.886 178.609 177.584 0.232 0.000 1.096 150 A CA 0.246 52.380 52.037 0.163 0.000 0.778 150 A CB -0.058 19.028 19.000 0.143 0.000 1.031 150 A HN 0.849 nan 8.150 nan 0.000 0.494 151 G N 0.792 109.668 108.800 0.128 0.000 2.588 151 G HA2 0.482 4.442 3.960 -0.000 0.000 0.281 151 G HA3 0.482 4.442 3.960 -0.000 0.000 0.281 151 G C 0.092 174.791 174.900 -0.335 0.000 1.236 151 G CA -0.946 44.046 45.100 -0.180 0.000 0.969 151 G HN 0.776 nan 8.290 nan 0.000 0.504 152 I N 0.452 120.577 120.570 -0.742 0.000 2.683 152 I HA -0.024 4.146 4.170 -0.000 0.000 0.286 152 I C -0.278 175.706 176.117 -0.222 0.000 1.175 152 I CA -0.295 60.600 61.300 -0.674 0.000 1.429 152 I CB 0.180 37.464 38.000 -1.194 0.000 1.371 152 I HN 0.227 nan 8.210 nan 0.000 0.569 153 Y N 5.844 126.018 120.300 -0.210 0.000 2.526 153 Y HA 0.013 4.563 4.550 -0.000 0.000 0.330 153 Y C 1.480 177.320 175.900 -0.100 0.000 1.156 153 Y CA -0.487 57.536 58.100 -0.127 0.000 1.419 153 Y CB -0.217 38.149 38.460 -0.157 0.000 1.250 153 Y HN 0.497 nan 8.280 nan 0.000 0.540 154 N N 1.757 120.494 118.700 0.062 0.000 2.244 154 N HA -0.206 4.534 4.740 -0.000 0.000 0.183 154 N C 1.606 176.853 175.510 -0.437 0.000 1.016 154 N CA 0.880 53.814 53.050 -0.193 0.000 0.866 154 N CB -0.199 37.953 38.487 -0.558 0.000 0.980 154 N HN 0.642 nan 8.380 nan 0.000 0.430 155 N N 1.596 120.067 118.700 -0.381 0.000 2.364 155 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 155 N C 0.822 176.386 175.510 0.090 0.000 1.022 155 N CA 0.536 53.513 53.050 -0.122 0.000 0.883 155 N CB -0.120 38.326 38.487 -0.070 0.000 0.965 155 N HN 0.164 nan 8.380 nan 0.000 0.438 156 N N 0.215 118.883 118.700 -0.053 0.000 2.205 156 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 156 N C -0.075 175.441 175.510 0.009 0.000 1.015 156 N CA 0.448 53.411 53.050 -0.145 0.000 0.862 156 N CB -0.407 37.638 38.487 -0.738 0.000 0.986 156 N HN 0.165 nan 8.380 nan 0.000 0.429 157 F N 0.671 120.703 119.950 0.137 0.000 2.578 157 F HA 0.110 4.637 4.527 -0.000 0.000 0.376 157 F C 1.292 177.407 175.800 0.525 0.000 1.085 157 F CA 0.528 58.671 58.000 0.239 0.000 1.260 157 F CB 0.594 39.645 39.000 0.084 0.000 1.095 157 F HN -0.260 nan 8.300 nan 0.000 0.573 158 T N 0.413 115.376 114.554 0.682 0.000 2.830 158 T HA 0.293 4.643 4.350 -0.000 0.000 0.322 158 T C 0.433 175.405 174.700 0.452 0.000 1.501 158 T CA -0.105 62.349 62.100 0.590 0.000 1.036 158 T CB 1.094 70.230 68.868 0.447 0.000 1.379 158 T HN 0.557 nan 8.240 nan 0.000 0.493 159 S N 2.218 118.118 115.700 0.334 0.000 2.528 159 S HA 0.291 4.761 4.470 -0.000 0.000 0.219 159 S C 0.907 175.578 174.600 0.119 0.000 0.985 159 S CA -0.200 58.146 58.200 0.244 0.000 0.914 159 S CB -0.615 62.705 63.200 0.200 0.000 0.776 159 S HN 0.605 nan 8.310 nan 0.000 0.526 160 L N 2.781 124.047 121.223 0.071 0.000 2.492 160 L HA 0.216 4.556 4.340 -0.000 0.000 0.280 160 L C -1.836 174.904 176.870 -0.216 0.000 1.240 160 L CA -1.558 53.196 54.840 -0.144 0.000 0.831 160 L CB -0.102 41.766 42.059 -0.318 0.000 1.100 160 L HN 0.083 nan 8.230 nan 0.000 0.505 161 P HA 0.011 nan 4.420 nan 0.000 0.235 161 P C -1.335 175.876 177.300 -0.148 0.000 1.765 161 P CA 0.214 63.210 63.100 -0.174 0.000 1.034 161 P CB -0.324 31.299 31.700 -0.128 0.000 1.984 162 Y N 1.379 121.763 120.300 0.140 0.000 2.409 162 Y HA 0.430 4.980 4.550 -0.000 0.000 0.339 162 Y C -1.800 174.202 175.900 0.170 0.000 1.033 162 Y CA -3.368 54.832 58.100 0.167 0.000 1.094 162 Y CB 0.348 38.925 38.460 0.195 0.000 1.210 162 Y HN 0.125 nan 8.280 nan 0.000 0.456 163 P HA -0.053 nan 4.420 nan 0.000 0.264 163 P C 0.594 177.986 177.300 0.153 0.000 1.179 163 P CA 0.449 63.656 63.100 0.179 0.000 0.763 163 P CB 0.518 32.267 31.700 0.082 0.000 0.806 164 L N 2.492 123.709 121.223 -0.009 0.000 5.036 164 L HA -0.275 4.065 4.340 -0.000 0.000 0.395 164 L C 0.312 177.012 176.870 -0.284 0.000 0.792 164 L CA 2.038 56.742 54.840 -0.226 0.000 2.205 164 L CB -1.651 40.144 42.059 -0.440 0.000 1.065 164 L HN 0.411 nan 8.230 nan 0.000 0.632 165 F N 0.630 120.717 119.950 0.228 0.000 2.879 165 F HA 0.443 4.970 4.527 -0.000 0.000 0.354 165 F C 0.977 176.800 175.800 0.038 0.000 1.291 165 F CA -0.239 57.746 58.000 -0.025 0.000 1.238 165 F CB 0.117 38.875 39.000 -0.404 0.000 1.005 165 F HN 0.143 nan 8.300 nan 0.000 0.508 166 Q N 1.579 121.580 119.800 0.335 0.000 2.294 166 Q HA 0.285 4.625 4.340 -0.000 0.000 0.257 166 Q C -0.104 176.069 176.000 0.289 0.000 0.955 166 Q CA -0.394 55.587 55.803 0.297 0.000 0.936 166 Q CB 0.903 29.767 28.738 0.211 0.000 1.188 166 Q HN 0.135 nan 8.270 nan 0.000 0.420 167 M N 4.248 123.986 119.600 0.230 0.000 2.852 167 M HA 0.152 4.632 4.480 -0.000 0.000 0.321 167 M C -0.535 175.922 176.300 0.261 0.000 1.337 167 M CA -0.035 55.302 55.300 0.062 0.000 1.406 167 M CB 0.196 32.577 32.600 -0.365 0.000 1.152 167 M HN 0.653 nan 8.290 nan 0.000 0.508 168 E N 2.325 122.660 120.200 0.224 0.000 2.366 168 E HA 0.025 4.375 4.350 -0.000 0.000 0.266 168 E C -0.940 175.728 176.600 0.114 0.000 1.015 168 E CA -0.304 56.181 56.400 0.142 0.000 0.906 168 E CB 0.782 30.469 29.700 -0.021 0.000 0.979 168 E HN 0.434 nan 8.360 nan 0.000 0.443 169 L N 6.814 127.984 121.223 -0.089 0.000 2.282 169 L HA 0.199 4.539 4.340 -0.000 0.000 0.287 169 L C -0.504 176.184 176.870 -0.305 0.000 1.075 169 L CA -0.311 54.206 54.840 -0.538 0.000 0.839 169 L CB 0.460 42.177 42.059 -0.570 0.000 1.219 169 L HN 0.619 nan 8.230 nan 0.000 0.434 170 M N 5.764 125.197 119.600 -0.278 0.000 2.167 170 M HA 0.212 4.692 4.480 -0.000 0.000 0.300 170 M C -1.103 175.111 176.300 -0.143 0.000 1.171 170 M CA -2.034 53.174 55.300 -0.153 0.000 1.171 170 M CB -0.787 31.748 32.600 -0.107 0.000 1.396 170 M HN 0.293 nan 8.290 nan 0.000 0.466 171 P HA -0.103 nan 4.420 nan 0.000 0.221 171 P C 0.390 177.652 177.300 -0.062 0.000 1.150 171 P CA 1.080 64.142 63.100 -0.064 0.000 0.800 171 P CB -0.017 31.660 31.700 -0.039 0.000 0.787 172 D N -1.220 119.142 120.400 -0.064 0.000 2.332 172 D HA 0.036 4.676 4.640 -0.000 0.000 0.244 172 D C 1.377 177.636 176.300 -0.068 0.000 1.136 172 D CA 0.600 54.570 54.000 -0.050 0.000 0.884 172 D CB -0.940 39.840 40.800 -0.034 0.000 0.906 172 D HN 0.220 nan 8.370 nan 0.000 0.520 173 G N 0.574 109.304 108.800 -0.117 0.000 2.234 173 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 173 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 173 G C 0.615 175.364 174.900 -0.252 0.000 0.987 173 G CA 0.778 45.786 45.100 -0.154 0.000 0.625 173 G HN 0.760 nan 8.290 nan 0.000 0.532 174 T N -1.351 113.083 114.554 -0.201 0.000 2.849 174 T HA 0.670 5.020 4.350 -0.000 0.000 0.284 174 T C -0.142 174.369 174.700 -0.314 0.000 1.004 174 T CA -0.447 61.557 62.100 -0.160 0.000 1.021 174 T CB 1.711 70.558 68.868 -0.035 0.000 1.013 174 T HN 0.310 nan 8.240 nan 0.000 0.527 175 F N 0.407 120.338 119.950 -0.031 0.000 2.469 175 F HA 0.521 5.048 4.527 0.000 0.000 0.332 175 F C 0.639 176.435 175.800 -0.007 0.000 1.103 175 F CA -0.825 57.139 58.000 -0.059 0.000 0.979 175 F CB 1.969 40.908 39.000 -0.102 0.000 1.137 175 F HN 0.657 nan 8.300 nan 0.000 0.463 176 E N 2.244 122.574 120.200 0.217 0.000 2.256 176 E HA 0.179 4.529 4.350 -0.000 0.000 0.268 176 E C -1.897 174.838 176.600 0.224 0.000 0.877 176 E CA -0.843 55.672 56.400 0.192 0.000 0.757 176 E CB 2.437 32.223 29.700 0.144 0.000 1.183 176 E HN 0.541 nan 8.360 nan 0.000 0.418 177 W N 4.699 126.071 121.300 0.119 0.000 2.424 177 W HA 0.309 4.969 4.660 -0.000 0.000 0.318 177 W C -1.228 175.418 176.519 0.212 0.000 1.016 177 W CA -0.655 56.788 57.345 0.164 0.000 1.268 177 W CB 0.336 29.955 29.460 0.265 0.000 1.297 177 W HN 0.546 nan 8.180 nan 0.000 0.428 178 H N 4.797 123.783 119.070 -0.139 0.000 2.488 178 H HA 0.792 5.348 4.556 -0.000 0.000 0.322 178 H C -0.152 174.911 175.328 -0.443 0.000 1.078 178 H CA -0.769 55.026 56.048 -0.421 0.000 1.260 178 H CB 1.494 31.131 29.762 -0.207 0.000 1.425 178 H HN 0.494 nan 8.280 nan 0.000 0.471 179 A N 3.912 126.447 122.820 -0.474 0.000 2.610 179 A HA 0.343 4.663 4.320 -0.000 0.000 0.291 179 A C -2.448 174.961 177.584 -0.293 0.000 1.086 179 A CA -1.495 50.353 52.037 -0.315 0.000 0.677 179 A CB 1.198 20.079 19.000 -0.198 0.000 1.278 179 A HN 0.425 nan 8.150 nan 0.000 0.414 180 P HA 0.066 nan 4.420 nan 0.000 0.225 180 P C 0.003 177.198 177.300 -0.174 0.000 1.156 180 P CA 0.558 63.475 63.100 -0.306 0.000 0.787 180 P CB -0.094 31.376 31.700 -0.383 0.000 0.802 181 F N 0.836 120.801 119.950 0.026 0.000 2.607 181 F HA -0.004 4.523 4.527 -0.000 0.000 0.374 181 F C 1.328 177.201 175.800 0.121 0.000 1.104 181 F CA -0.426 57.621 58.000 0.078 0.000 1.296 181 F CB -0.764 38.252 39.000 0.027 0.000 1.085 181 F HN -0.122 nan 8.300 nan 0.000 0.584 182 D N 4.302 124.884 120.400 0.303 0.000 2.443 182 D HA 0.068 4.708 4.640 -0.000 0.000 0.239 182 D C -1.702 174.705 176.300 0.177 0.000 1.136 182 D CA -1.066 53.055 54.000 0.202 0.000 0.879 182 D CB 1.049 41.937 40.800 0.146 0.000 1.195 182 D HN 0.166 nan 8.370 nan 0.000 0.443 183 P HA -0.070 nan 4.420 nan 0.000 0.217 183 P C -0.041 177.279 177.300 0.034 0.000 1.150 183 P CA 1.037 64.220 63.100 0.138 0.000 0.832 183 P CB 0.252 32.088 31.700 0.227 0.000 0.787 184 D N -1.870 118.567 120.400 0.063 0.000 2.398 184 D HA 0.088 4.728 4.640 -0.000 0.000 0.210 184 D C 0.332 176.666 176.300 0.057 0.000 1.094 184 D CA 0.122 54.154 54.000 0.053 0.000 0.839 184 D CB 0.439 41.273 40.800 0.056 0.000 0.963 184 D HN 0.127 nan 8.370 nan 0.000 0.506 185 I N 2.948 123.557 120.570 0.066 0.000 2.337 185 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 185 I C -2.257 173.895 176.117 0.059 0.000 1.046 185 I CA -2.510 58.833 61.300 0.071 0.000 1.324 185 I CB 0.670 38.727 38.000 0.096 0.000 1.409 185 I HN -0.417 nan 8.210 nan 0.000 0.494 186 P HA 0.189 nan 4.420 nan 0.000 0.267 186 P C -0.552 176.747 177.300 -0.002 0.000 1.209 186 P CA 0.116 63.254 63.100 0.063 0.000 0.763 186 P CB 0.552 32.289 31.700 0.062 0.000 0.816 187 L N 6.214 127.409 121.223 -0.045 0.000 2.331 187 L HA 0.514 4.854 4.340 -0.000 0.000 0.275 187 L C -2.098 174.442 176.870 -0.551 0.000 1.022 187 L CA -2.531 52.077 54.840 -0.387 0.000 0.812 187 L CB 2.073 43.723 42.059 -0.683 0.000 1.257 187 L HN 0.197 nan 8.230 nan 0.000 0.435 188 P HA 0.083 nan 4.420 nan 0.000 0.282 188 P C -1.489 175.329 177.300 -0.804 0.000 1.274 188 P CA -0.220 62.529 63.100 -0.585 0.000 0.770 188 P CB 0.341 31.733 31.700 -0.513 0.000 0.867 189 W N 4.282 125.453 121.300 -0.214 0.000 2.578 189 W HA 0.660 5.320 4.660 -0.000 0.000 0.364 189 W C -0.220 176.286 176.519 -0.022 0.000 1.144 189 W CA -0.635 56.623 57.345 -0.146 0.000 1.242 189 W CB 1.272 30.689 29.460 -0.071 0.000 1.382 189 W HN 0.180 nan 8.180 nan 0.000 0.625 190 L N 1.600 123.009 121.223 0.309 0.000 2.641 190 L HA 0.326 4.666 4.340 -0.000 0.000 0.261 190 L C -1.428 175.589 176.870 0.245 0.000 0.926 190 L CA -0.432 54.597 54.840 0.316 0.000 0.917 190 L CB 1.802 44.039 42.059 0.297 0.000 1.361 190 L HN 0.360 nan 8.230 nan 0.000 0.417 191 D N 3.842 124.344 120.400 0.170 0.000 2.422 191 D HA 0.390 5.030 4.640 -0.000 0.000 0.227 191 D C 0.974 177.283 176.300 0.015 0.000 1.190 191 D CA 0.714 54.736 54.000 0.036 0.000 0.905 191 D CB 1.944 42.751 40.800 0.011 0.000 1.034 191 D HN 0.834 nan 8.370 nan 0.000 0.507 192 A N 4.615 127.365 122.820 -0.116 0.000 1.849 192 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 192 A C 1.879 179.367 177.584 -0.161 0.000 1.202 192 A CA 2.007 53.890 52.037 -0.257 0.000 0.629 192 A CB -0.511 17.998 19.000 -0.819 0.000 0.834 192 A HN 0.744 nan 8.150 nan 0.000 0.447 193 E N -1.921 118.199 120.200 -0.133 0.000 2.204 193 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 193 E C 1.914 178.506 176.600 -0.013 0.000 0.989 193 E CA 1.308 57.664 56.400 -0.074 0.000 0.824 193 E CB -0.467 29.208 29.700 -0.042 0.000 0.756 193 E HN 0.794 nan 8.360 nan 0.000 0.477 194 H N 0.362 119.398 119.070 -0.057 0.000 2.525 194 H HA 0.050 4.606 4.556 -0.000 0.000 0.275 194 H C 0.516 175.835 175.328 -0.016 0.000 0.984 194 H CA 1.260 57.298 56.048 -0.017 0.000 1.264 194 H CB 0.634 30.412 29.762 0.027 0.000 1.432 194 H HN 0.200 nan 8.280 nan 0.000 0.549 195 D N -0.669 119.793 120.400 0.104 0.000 2.480 195 D HA 0.042 4.682 4.640 -0.000 0.000 0.243 195 D C 2.091 178.347 176.300 -0.073 0.000 1.120 195 D CA 0.083 54.090 54.000 0.011 0.000 0.835 195 D CB 0.658 41.374 40.800 -0.139 0.000 1.204 195 D HN 0.122 nan 8.370 nan 0.000 0.513 196 V N 1.437 121.310 119.914 -0.067 0.000 2.307 196 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 196 V C 2.584 178.519 176.094 -0.264 0.000 1.045 196 V CA 2.281 64.513 62.300 -0.114 0.000 1.024 196 V CB -0.866 30.873 31.823 -0.141 0.000 0.651 196 V HN 0.218 nan 8.190 nan 0.000 0.449 197 G N 1.290 109.914 108.800 -0.292 0.000 2.545 197 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 197 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 197 G C 0.031 174.690 174.900 -0.401 0.000 1.218 197 G CA 1.353 46.254 45.100 -0.332 0.000 0.787 197 G HN 0.535 nan 8.290 nan 0.000 0.571 198 P HA -0.137 nan 4.420 nan 0.000 0.216 198 P C 2.102 179.057 177.300 -0.575 0.000 1.153 198 P CA 2.286 64.882 63.100 -0.840 0.000 0.858 198 P CB -0.291 30.281 31.700 -1.880 0.000 0.789 199 A N -0.004 122.572 122.820 -0.406 0.000 1.902 199 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 199 A C 2.457 179.904 177.584 -0.228 0.000 1.181 199 A CA 1.503 53.474 52.037 -0.109 0.000 0.623 199 A CB -1.628 17.456 19.000 0.141 0.000 0.818 199 A HN 0.127 nan 8.150 nan 0.000 0.443 200 L N -0.743 120.288 121.223 -0.320 0.000 2.093 200 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 200 L C 2.516 179.180 176.870 -0.342 0.000 1.085 200 L CA 0.773 55.347 54.840 -0.444 0.000 0.755 200 L CB -0.425 41.309 42.059 -0.541 0.000 0.904 200 L HN 0.380 nan 8.230 nan 0.000 0.435 201 L N -0.677 120.431 121.223 -0.191 0.000 2.093 201 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 201 L C 2.658 179.533 176.870 0.008 0.000 1.085 201 L CA 0.906 55.726 54.840 -0.033 0.000 0.755 201 L CB -0.306 41.698 42.059 -0.091 0.000 0.904 201 L HN 0.308 nan 8.230 nan 0.000 0.435 202 Q N 0.642 120.409 119.800 -0.055 0.000 2.079 202 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 202 Q C 2.039 178.069 176.000 0.050 0.000 0.974 202 Q CA 1.702 57.526 55.803 0.036 0.000 0.840 202 Q CB -0.203 28.576 28.738 0.067 0.000 0.898 202 Q HN 0.462 nan 8.270 nan 0.000 0.430 203 I N -0.453 120.031 120.570 -0.144 0.000 2.179 203 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 203 I C 1.646 177.792 176.117 0.049 0.000 1.088 203 I CA 1.020 62.184 61.300 -0.226 0.000 1.357 203 I CB -0.350 37.296 38.000 -0.590 0.000 1.051 203 I HN 0.149 nan 8.210 nan 0.000 0.409 204 F N 1.158 121.105 119.950 -0.004 0.000 2.134 204 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 204 F C 2.550 178.462 175.800 0.186 0.000 1.097 204 F CA 1.410 59.452 58.000 0.070 0.000 1.264 204 F CB -0.761 38.211 39.000 -0.046 0.000 1.001 204 F HN -0.069 nan 8.300 nan 0.000 0.479 205 K N 0.137 120.734 120.400 0.329 0.000 2.057 205 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 205 K C 1.693 178.443 176.600 0.249 0.000 1.049 205 K CA 1.756 58.193 56.287 0.251 0.000 0.931 205 K CB -0.164 32.449 32.500 0.188 0.000 0.714 205 K HN 0.094 nan 8.250 nan 0.000 0.440 206 D N -0.417 120.164 120.400 0.302 0.000 2.178 206 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 206 D C 0.834 177.290 176.300 0.260 0.000 0.974 206 D CA 1.344 55.527 54.000 0.305 0.000 0.841 206 D CB -0.052 41.055 40.800 0.511 0.000 0.953 206 D HN 0.456 nan 8.370 nan 0.000 0.478 207 G N 0.098 109.118 108.800 0.367 0.000 2.699 207 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 207 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 207 G C -2.025 172.887 174.900 0.020 0.000 1.301 207 G CA -0.257 44.987 45.100 0.241 0.000 0.816 207 G HN -0.075 nan 8.290 nan 0.000 0.595 208 P HA -0.131 nan 4.420 nan 0.000 0.220 208 P C 1.666 178.880 177.300 -0.143 0.000 1.148 208 P CA 1.863 64.704 63.100 -0.432 0.000 0.803 208 P CB 0.008 31.494 31.700 -0.357 0.000 0.782 209 Q N -0.571 119.176 119.800 -0.088 0.000 2.437 209 Q HA -0.094 4.246 4.340 -0.000 0.000 0.210 209 Q C 1.790 177.724 176.000 -0.110 0.000 0.972 209 Q CA 1.073 56.836 55.803 -0.067 0.000 0.903 209 Q CB -0.385 28.326 28.738 -0.046 0.000 0.967 209 Q HN 0.215 nan 8.270 nan 0.000 0.486 210 K N -0.006 120.289 120.400 -0.175 0.000 2.306 210 K HA 0.054 4.374 4.320 -0.000 0.000 0.200 210 K C 0.494 176.715 176.600 -0.632 0.000 1.083 210 K CA 0.491 56.518 56.287 -0.433 0.000 0.959 210 K CB 0.177 32.353 32.500 -0.540 0.000 0.994 210 K HN 0.284 nan 8.250 nan 0.000 0.492 211 W N 2.091 123.354 121.300 -0.062 0.000 3.132 211 W HA 0.248 4.908 4.660 0.000 0.000 0.364 211 W C 0.237 176.847 176.519 0.151 0.000 1.129 211 W CA -0.872 56.444 57.345 -0.048 0.000 1.815 211 W CB 0.049 29.519 29.460 0.017 0.000 1.099 211 W HN 0.032 nan 8.180 nan 0.000 0.605 212 N N 0.606 119.455 118.700 0.248 0.000 2.454 212 N HA 0.243 4.983 4.740 -0.000 0.000 0.254 212 N C 1.346 177.016 175.510 0.267 0.000 1.228 212 N CA 1.893 55.057 53.050 0.191 0.000 0.900 212 N CB 0.779 39.307 38.487 0.068 0.000 1.089 212 N HN 0.221 nan 8.380 nan 0.000 0.449 213 G N 1.115 110.056 108.800 0.235 0.000 2.180 213 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 213 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 213 G C -0.111 174.933 174.900 0.239 0.000 0.989 213 G CA 0.382 45.629 45.100 0.244 0.000 0.692 213 G HN 0.780 nan 8.290 nan 0.000 0.526 214 H N -0.236 119.010 119.070 0.293 0.000 2.482 214 H HA 0.506 5.062 4.556 -0.000 0.000 0.344 214 H C 0.482 176.033 175.328 0.371 0.000 1.151 214 H CA -0.277 55.960 56.048 0.315 0.000 1.300 214 H CB 0.947 30.977 29.762 0.446 0.000 1.494 214 H HN 0.185 nan 8.280 nan 0.000 0.542 215 R N 2.586 123.326 120.500 0.400 0.000 2.360 215 R HA 0.394 4.734 4.340 -0.000 0.000 0.318 215 R C -0.517 176.031 176.300 0.414 0.000 0.950 215 R CA -0.449 55.889 56.100 0.397 0.000 0.837 215 R CB 1.066 31.410 30.300 0.072 0.000 1.165 215 R HN 0.428 nan 8.270 nan 0.000 0.458 216 I N 2.123 122.906 120.570 0.354 0.000 2.377 216 I HA 0.363 4.532 4.170 -0.000 0.000 0.293 216 I C 0.257 176.347 176.117 -0.045 0.000 0.987 216 I CA -0.854 60.527 61.300 0.135 0.000 1.185 216 I CB 2.006 39.921 38.000 -0.143 0.000 1.341 216 I HN 0.579 nan 8.210 nan 0.000 0.455 217 A N 7.438 130.073 122.820 -0.307 0.000 2.310 217 A HA 0.393 4.713 4.320 -0.000 0.000 0.300 217 A C -0.041 177.293 177.584 -0.416 0.000 1.269 217 A CA -0.318 51.280 52.037 -0.731 0.000 0.909 217 A CB 0.047 18.454 19.000 -0.989 0.000 1.144 217 A HN 0.793 nan 8.150 nan 0.000 0.540 218 L N 3.697 124.757 121.223 -0.272 0.000 2.391 218 L HA 0.226 4.566 4.340 -0.000 0.000 0.249 218 L C 0.438 177.214 176.870 -0.157 0.000 1.308 218 L CA 0.182 54.898 54.840 -0.206 0.000 1.209 218 L CB -0.169 41.874 42.059 -0.025 0.000 1.401 218 L HN 0.766 nan 8.230 nan 0.000 0.416 219 T N -0.341 113.983 114.554 -0.383 0.000 3.032 219 T HA 0.372 4.722 4.350 -0.000 0.000 0.312 219 T C 0.003 174.402 174.700 -0.502 0.000 1.078 219 T CA -0.375 61.594 62.100 -0.218 0.000 1.028 219 T CB 0.779 69.589 68.868 -0.097 0.000 1.091 219 T HN 0.189 nan 8.240 nan 0.000 0.457 220 F N 2.767 122.583 119.950 -0.223 0.000 2.653 220 F HA 0.406 4.933 4.527 -0.000 0.000 0.304 220 F C 1.007 176.381 175.800 -0.710 0.000 1.092 220 F CA -0.533 57.102 58.000 -0.608 0.000 1.279 220 F CB 0.475 39.016 39.000 -0.766 0.000 1.044 220 F HN 0.749 nan 8.300 nan 0.000 0.564 221 E N -0.794 119.336 120.200 -0.117 0.000 2.431 221 E HA 0.346 4.696 4.350 -0.000 0.000 0.287 221 E C -1.335 175.343 176.600 0.130 0.000 1.032 221 E CA -0.963 55.436 56.400 -0.003 0.000 0.839 221 E CB 1.250 31.045 29.700 0.158 0.000 1.218 221 E HN -0.035 nan 8.360 nan 0.000 0.424 222 T N 1.535 116.159 114.554 0.118 0.000 2.786 222 T HA 0.705 5.055 4.350 -0.000 0.000 0.283 222 T C -0.226 174.597 174.700 0.205 0.000 0.992 222 T CA -0.671 61.524 62.100 0.159 0.000 0.954 222 T CB 0.526 69.428 68.868 0.057 0.000 0.934 222 T HN 0.430 nan 8.240 nan 0.000 0.440 223 L N 2.358 123.794 121.223 0.355 0.000 2.409 223 L HA 0.674 5.014 4.340 -0.000 0.000 0.262 223 L C 0.499 177.548 176.870 0.298 0.000 0.992 223 L CA -1.157 53.822 54.840 0.232 0.000 0.817 223 L CB 2.593 44.682 42.059 0.051 0.000 1.350 223 L HN 0.891 nan 8.230 nan 0.000 0.411 224 S N 0.502 116.294 115.700 0.155 0.000 2.632 224 S HA 0.411 4.881 4.470 -0.000 0.000 0.267 224 S C -2.121 172.538 174.600 0.098 0.000 1.276 224 S CA -1.096 57.169 58.200 0.109 0.000 0.998 224 S CB 1.444 64.674 63.200 0.051 0.000 0.953 224 S HN 0.392 nan 8.310 nan 0.000 0.547 225 P HA -0.107 nan 4.420 nan 0.000 0.216 225 P C 1.508 178.739 177.300 -0.116 0.000 1.150 225 P CA 0.840 63.828 63.100 -0.187 0.000 0.843 225 P CB -0.125 30.683 31.700 -1.488 0.000 0.787 226 V N -0.443 119.404 119.914 -0.112 0.000 2.343 226 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 226 V C 2.429 178.552 176.094 0.047 0.000 1.051 226 V CA 1.833 64.153 62.300 0.033 0.000 1.036 226 V CB -1.327 30.529 31.823 0.055 0.000 0.654 226 V HN 0.184 nan 8.190 nan 0.000 0.451 227 Q N -0.573 119.246 119.800 0.032 0.000 2.124 227 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 227 Q C 2.367 178.358 176.000 -0.016 0.000 0.977 227 Q CA 1.548 57.362 55.803 0.019 0.000 0.850 227 Q CB -0.267 28.488 28.738 0.028 0.000 0.901 227 Q HN 0.544 nan 8.270 nan 0.000 0.429 228 V N 0.174 120.068 119.914 -0.033 0.000 2.261 228 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 228 V C 2.349 178.408 176.094 -0.059 0.000 1.047 228 V CA 1.655 63.864 62.300 -0.152 0.000 1.015 228 V CB -0.530 31.154 31.823 -0.231 0.000 0.642 228 V HN 0.524 nan 8.190 nan 0.000 0.446 229 C N 0.176 119.490 119.300 0.023 0.000 2.413 229 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 229 C C 3.093 178.125 174.990 0.070 0.000 1.248 229 C CA 0.803 59.851 59.018 0.049 0.000 1.742 229 C CB -1.450 26.396 27.740 0.177 0.000 2.017 229 C HN 0.653 nan 8.230 nan 0.000 0.481 230 A N 0.557 123.410 122.820 0.055 0.000 1.908 230 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 230 A C 2.371 179.962 177.584 0.013 0.000 1.181 230 A CA 2.282 54.343 52.037 0.039 0.000 0.627 230 A CB -0.928 18.090 19.000 0.029 0.000 0.818 230 A HN 0.615 nan 8.150 nan 0.000 0.445 231 A N -1.623 121.188 122.820 -0.015 0.000 1.933 231 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 231 A C 1.925 179.429 177.584 -0.134 0.000 1.175 231 A CA 1.455 53.442 52.037 -0.083 0.000 0.628 231 A CB -0.680 18.240 19.000 -0.133 0.000 0.814 231 A HN 0.465 nan 8.150 nan 0.000 0.444 232 F N 1.067 120.862 119.950 -0.258 0.000 2.325 232 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 232 F C 2.871 178.565 175.800 -0.176 0.000 1.090 232 F CA 1.535 59.346 58.000 -0.315 0.000 1.392 232 F CB -0.057 38.655 39.000 -0.479 0.000 1.053 232 F HN 0.369 nan 8.300 nan 0.000 0.521 233 S N 0.048 115.787 115.700 0.065 0.000 2.395 233 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 233 S C 1.962 176.579 174.600 0.027 0.000 1.027 233 S CA 0.460 58.701 58.200 0.068 0.000 0.965 233 S CB -0.485 62.760 63.200 0.075 0.000 0.812 233 S HN 0.352 nan 8.310 nan 0.000 0.482 234 R N 1.282 121.775 120.500 -0.012 0.000 2.235 234 R HA 0.245 4.585 4.340 -0.000 0.000 0.213 234 R C 2.355 178.622 176.300 -0.055 0.000 1.059 234 R CA 0.906 56.989 56.100 -0.028 0.000 0.997 234 R CB -0.428 29.846 30.300 -0.042 0.000 0.884 234 R HN 0.592 nan 8.270 nan 0.000 0.462 235 A N 0.929 123.692 122.820 -0.096 0.000 1.887 235 A HA 0.085 4.405 4.320 -0.000 0.000 0.212 235 A C 1.882 179.433 177.584 -0.055 0.000 1.198 235 A CA 0.446 52.400 52.037 -0.137 0.000 0.628 235 A CB 0.000 18.818 19.000 -0.305 0.000 0.847 235 A HN 0.133 nan 8.150 nan 0.000 0.449 236 L N -0.375 120.856 121.223 0.013 0.000 2.592 236 L HA 0.074 4.414 4.340 -0.000 0.000 0.227 236 L C 0.021 176.996 176.870 0.175 0.000 1.127 236 L CA 0.024 54.961 54.840 0.162 0.000 0.884 236 L CB -0.273 41.968 42.059 0.303 0.000 1.065 236 L HN 0.424 nan 8.230 nan 0.000 0.457 237 N N 0.773 119.534 118.700 0.102 0.000 2.753 237 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 237 N C 0.099 175.682 175.510 0.123 0.000 1.097 237 N CA 0.997 54.102 53.050 0.091 0.000 0.786 237 N CB -0.783 37.751 38.487 0.079 0.000 1.137 237 N HN 0.478 nan 8.380 nan 0.000 0.566 238 R N 0.109 120.708 120.500 0.165 0.000 2.930 238 R HA 0.474 4.814 4.340 -0.000 0.000 0.257 238 R C 0.280 176.677 176.300 0.161 0.000 1.107 238 R CA -0.847 55.362 56.100 0.181 0.000 0.999 238 R CB 1.908 32.377 30.300 0.281 0.000 1.209 238 R HN 0.029 nan 8.270 nan 0.000 0.486 239 R N 1.176 121.759 120.500 0.137 0.000 2.308 239 R HA 0.325 4.665 4.340 -0.000 0.000 0.305 239 R C -1.204 175.194 176.300 0.163 0.000 1.053 239 R CA -0.195 55.977 56.100 0.119 0.000 0.957 239 R CB 0.766 31.114 30.300 0.080 0.000 1.022 239 R HN 0.276 nan 8.270 nan 0.000 0.461 240 V N 4.055 124.060 119.914 0.152 0.000 2.531 240 V HA 0.342 4.462 4.120 -0.000 0.000 0.301 240 V C -0.210 175.974 176.094 0.151 0.000 1.034 240 V CA -0.768 61.633 62.300 0.168 0.000 0.865 240 V CB 1.824 33.722 31.823 0.126 0.000 0.995 240 V HN 0.983 nan 8.190 nan 0.000 0.424 241 T N 1.468 116.125 114.554 0.171 0.000 2.863 241 T HA 0.665 5.015 4.350 -0.000 0.000 0.285 241 T C -1.085 173.761 174.700 0.243 0.000 1.009 241 T CA -0.661 61.543 62.100 0.172 0.000 0.989 241 T CB 1.745 70.683 68.868 0.117 0.000 1.004 241 T HN 0.467 nan 8.240 nan 0.000 0.455 242 Y N 2.611 122.971 120.300 0.100 0.000 2.326 242 Y HA 0.604 5.154 4.550 -0.000 0.000 0.337 242 Y C -1.136 174.753 175.900 -0.019 0.000 1.023 242 Y CA -1.205 56.932 58.100 0.060 0.000 1.143 242 Y CB 1.062 39.538 38.460 0.026 0.000 1.183 242 Y HN 0.647 nan 8.280 nan 0.000 0.485 243 V N 7.259 126.731 119.914 -0.737 0.000 2.407 243 V HA 0.244 4.364 4.120 -0.000 0.000 0.291 243 V C -0.432 175.075 176.094 -0.978 0.000 1.018 243 V CA -0.977 60.900 62.300 -0.705 0.000 0.842 243 V CB 1.387 32.824 31.823 -0.643 0.000 0.996 243 V HN 0.780 nan 8.190 nan 0.000 0.426 244 Q N 3.950 123.308 119.800 -0.736 0.000 2.314 244 Q HA 0.590 4.930 4.340 -0.000 0.000 0.258 244 Q C -0.768 175.011 176.000 -0.369 0.000 0.954 244 Q CA -0.310 55.187 55.803 -0.509 0.000 0.890 244 Q CB 1.626 30.233 28.738 -0.218 0.000 1.210 244 Q HN 0.780 nan 8.270 nan 0.000 0.410 245 V N 2.082 121.814 119.914 -0.303 0.000 2.760 245 V HA 0.475 4.595 4.120 -0.000 0.000 0.309 245 V C -2.191 173.795 176.094 -0.180 0.000 1.077 245 V CA -1.778 60.385 62.300 -0.228 0.000 0.910 245 V CB 1.593 33.292 31.823 -0.206 0.000 1.008 245 V HN 0.846 nan 8.190 nan 0.000 0.424 246 P HA -0.010 nan 4.420 nan 0.000 0.225 246 P C 0.159 177.380 177.300 -0.131 0.000 1.148 246 P CA 1.018 64.042 63.100 -0.127 0.000 0.779 246 P CB 0.388 32.025 31.700 -0.104 0.000 0.780 247 K N -0.614 119.706 120.400 -0.132 0.000 2.464 247 K HA 0.409 4.729 4.320 -0.000 0.000 0.253 247 K C -0.951 175.567 176.600 -0.136 0.000 0.933 247 K CA -1.044 55.165 56.287 -0.129 0.000 0.801 247 K CB 3.063 35.504 32.500 -0.100 0.000 1.271 247 K HN -0.354 nan 8.250 nan 0.000 0.430 248 V N 2.938 122.759 119.914 -0.156 0.000 2.446 248 V HA -0.001 4.119 4.120 -0.000 0.000 0.276 248 V C 0.090 176.125 176.094 -0.098 0.000 1.030 248 V CA -0.064 62.145 62.300 -0.152 0.000 1.033 248 V CB 0.234 31.937 31.823 -0.200 0.000 0.993 248 V HN 0.677 nan 8.190 nan 0.000 0.477 249 E N 5.414 125.581 120.200 -0.056 0.000 2.238 249 E HA 0.113 4.463 4.350 -0.000 0.000 0.264 249 E C -0.476 176.116 176.600 -0.014 0.000 1.136 249 E CA -0.270 56.116 56.400 -0.023 0.000 0.929 249 E CB 0.361 30.068 29.700 0.012 0.000 1.010 249 E HN 0.420 nan 8.360 nan 0.000 0.440 250 I N 4.158 124.714 120.570 -0.023 0.000 2.243 250 I HA 0.012 4.182 4.170 -0.000 0.000 0.297 250 I C 0.919 177.048 176.117 0.020 0.000 1.161 250 I CA 0.091 61.388 61.300 -0.005 0.000 1.298 250 I CB -0.053 37.931 38.000 -0.028 0.000 1.475 250 I HN 0.387 nan 8.210 nan 0.000 0.561 251 K N 2.988 123.411 120.400 0.038 0.000 2.505 251 K HA 0.202 4.522 4.320 -0.000 0.000 0.192 251 K C 0.316 176.943 176.600 0.044 0.000 1.025 251 K CA 0.229 56.534 56.287 0.031 0.000 1.086 251 K CB 0.701 33.212 32.500 0.019 0.000 0.840 251 K HN 0.403 nan 8.250 nan 0.000 0.514 252 V N 0.129 120.089 119.914 0.077 0.000 3.188 252 V HA 0.250 4.370 4.120 -0.000 0.000 0.305 252 V C -1.684 174.473 176.094 0.106 0.000 1.232 252 V CA -1.213 61.147 62.300 0.100 0.000 1.043 252 V CB 2.232 34.152 31.823 0.162 0.000 1.068 252 V HN 0.032 nan 8.190 nan 0.000 0.439 253 N N 3.479 122.238 118.700 0.099 0.000 2.513 253 N HA 0.578 5.318 4.740 -0.000 0.000 0.268 253 N C -0.445 175.137 175.510 0.119 0.000 1.180 253 N CA 0.308 53.411 53.050 0.088 0.000 0.948 253 N CB 0.520 39.050 38.487 0.072 0.000 1.083 253 N HN 0.746 nan 8.380 nan 0.000 0.455 254 I N -1.548 119.090 120.570 0.112 0.000 2.994 254 I HA 0.645 4.815 4.170 -0.000 0.000 0.306 254 I C -2.464 173.726 176.117 0.122 0.000 1.195 254 I CA -2.218 59.175 61.300 0.154 0.000 1.001 254 I CB 2.131 40.268 38.000 0.229 0.000 1.244 254 I HN 0.266 nan 8.210 nan 0.000 0.437 255 P HA 0.032 nan 4.420 nan 0.000 0.271 255 P C 0.736 178.096 177.300 0.101 0.000 1.216 255 P CA -0.218 62.939 63.100 0.095 0.000 0.776 255 P CB 2.115 33.862 31.700 0.078 0.000 0.881 256 V N 3.328 123.279 119.914 0.062 0.000 2.469 256 V HA -0.185 3.935 4.120 -0.000 0.000 0.251 256 V C 2.361 178.485 176.094 0.050 0.000 1.064 256 V CA 2.787 65.113 62.300 0.043 0.000 1.066 256 V CB -1.251 30.588 31.823 0.026 0.000 0.667 256 V HN 0.853 nan 8.190 nan 0.000 0.461 257 G N -1.525 107.316 108.800 0.068 0.000 2.440 257 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 257 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 257 G C 1.538 176.510 174.900 0.120 0.000 1.154 257 G CA 1.202 46.346 45.100 0.073 0.000 0.767 257 G HN 0.604 nan 8.290 nan 0.000 0.552 258 Y N 1.302 121.595 120.300 -0.012 0.000 2.293 258 Y HA 0.055 4.605 4.550 -0.000 0.000 0.291 258 Y C 2.763 178.647 175.900 -0.026 0.000 1.137 258 Y CA 1.129 59.219 58.100 -0.016 0.000 1.202 258 Y CB -0.359 38.101 38.460 -0.001 0.000 0.990 258 Y HN 0.181 nan 8.280 nan 0.000 0.537 259 R N 0.461 120.932 120.500 -0.048 0.000 2.081 259 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 259 R C 2.033 178.252 176.300 -0.135 0.000 1.131 259 R CA 1.939 57.953 56.100 -0.143 0.000 0.960 259 R CB -0.134 30.129 30.300 -0.061 0.000 0.856 259 R HN 0.450 nan 8.270 nan 0.000 0.436 260 E N -0.073 120.086 120.200 -0.069 0.000 2.153 260 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 260 E C 1.978 178.520 176.600 -0.098 0.000 0.988 260 E CA 1.175 57.536 56.400 -0.065 0.000 0.811 260 E CB -0.052 29.631 29.700 -0.028 0.000 0.746 260 E HN 0.328 nan 8.360 nan 0.000 0.466 261 Q N 1.451 121.194 119.800 -0.095 0.000 2.050 261 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 261 Q C 2.054 177.920 176.000 -0.222 0.000 0.980 261 Q CA 1.416 57.135 55.803 -0.141 0.000 0.840 261 Q CB -0.255 28.473 28.738 -0.016 0.000 0.898 261 Q HN 0.289 nan 8.270 nan 0.000 0.424 262 L N 0.186 121.246 121.223 -0.272 0.000 2.083 262 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 262 L C 2.354 179.094 176.870 -0.218 0.000 1.083 262 L CA 1.555 56.219 54.840 -0.292 0.000 0.752 262 L CB -0.439 41.391 42.059 -0.380 0.000 0.899 262 L HN 0.331 nan 8.230 nan 0.000 0.433 263 E N 0.072 120.168 120.200 -0.175 0.000 2.150 263 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 263 E C 2.268 178.800 176.600 -0.114 0.000 0.985 263 E CA 1.013 57.336 56.400 -0.128 0.000 0.814 263 E CB -0.101 29.541 29.700 -0.097 0.000 0.752 263 E HN 0.518 nan 8.360 nan 0.000 0.466 264 A N 1.092 123.833 122.820 -0.131 0.000 1.930 264 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 264 A C 2.132 179.638 177.584 -0.130 0.000 1.176 264 A CA 0.635 52.599 52.037 -0.123 0.000 0.632 264 A CB -0.367 18.543 19.000 -0.150 0.000 0.819 264 A HN 0.097 nan 8.150 nan 0.000 0.445 265 I N 0.651 121.128 120.570 -0.155 0.000 2.142 265 I HA -0.320 3.850 4.170 -0.000 0.000 0.240 265 I C 2.656 178.783 176.117 0.018 0.000 1.078 265 I CA 1.892 63.177 61.300 -0.026 0.000 1.343 265 I CB -0.531 37.352 38.000 -0.194 0.000 1.046 265 I HN 0.588 nan 8.210 nan 0.000 0.405 266 E N 0.681 120.809 120.200 -0.121 0.000 2.097 266 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 266 E C 2.170 178.724 176.600 -0.077 0.000 1.000 266 E CA 1.653 57.974 56.400 -0.131 0.000 0.804 266 E CB -0.673 28.936 29.700 -0.150 0.000 0.740 266 E HN 0.344 nan 8.360 nan 0.000 0.454 267 V N 1.602 121.485 119.914 -0.052 0.000 2.358 267 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 267 V C 2.494 178.618 176.094 0.050 0.000 1.047 267 V CA 1.484 63.789 62.300 0.008 0.000 1.035 267 V CB -0.221 31.638 31.823 0.060 0.000 0.658 267 V HN 0.174 nan 8.190 nan 0.000 0.452 268 V N -0.739 119.110 119.914 -0.109 0.000 2.358 268 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 268 V C 2.019 177.739 176.094 -0.623 0.000 1.047 268 V CA 2.128 64.153 62.300 -0.459 0.000 1.035 268 V CB -0.625 30.685 31.823 -0.854 0.000 0.658 268 V HN 0.512 nan 8.190 nan 0.000 0.452 269 F N 0.191 120.048 119.950 -0.155 0.000 2.678 269 F HA 0.366 4.893 4.527 -0.000 0.000 0.291 269 F C 2.162 177.906 175.800 -0.093 0.000 1.123 269 F CA 0.664 58.619 58.000 -0.075 0.000 1.395 269 F CB -0.753 38.265 39.000 0.031 0.000 1.121 269 F HN 0.118 nan 8.300 nan 0.000 0.592 270 G N 0.067 108.870 108.800 0.005 0.000 2.473 270 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 270 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 270 G C 1.479 176.329 174.900 -0.083 0.000 1.211 270 G CA 0.367 45.433 45.100 -0.057 0.000 0.813 270 G HN 0.269 nan 8.290 nan 0.000 0.541 271 E N -0.173 119.942 120.200 -0.142 0.000 2.028 271 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 271 E C 2.207 178.605 176.600 -0.337 0.000 0.984 271 E CA 0.760 56.999 56.400 -0.269 0.000 0.800 271 E CB -0.095 29.360 29.700 -0.409 0.000 0.758 271 E HN 0.439 nan 8.360 nan 0.000 0.448 272 H N 0.362 119.393 119.070 -0.065 0.000 2.563 272 H HA 0.164 4.720 4.556 -0.000 0.000 0.264 272 H C 0.063 175.320 175.328 -0.118 0.000 0.957 272 H CA 0.374 56.389 56.048 -0.056 0.000 1.173 272 H CB 0.338 30.044 29.762 -0.092 0.000 1.420 272 H HN 0.038 nan 8.280 nan 0.000 0.551 273 K N 0.580 120.948 120.400 -0.053 0.000 3.278 273 K HA -0.141 4.179 4.320 -0.000 0.000 0.270 273 K C -0.136 176.381 176.600 -0.138 0.000 0.955 273 K CA 0.240 56.509 56.287 -0.029 0.000 0.723 273 K CB -1.232 31.288 32.500 0.035 0.000 1.382 273 K HN 0.298 nan 8.250 nan 0.000 0.461 274 A N 1.602 124.156 122.820 -0.443 0.000 2.295 274 A HA 0.577 4.897 4.320 -0.000 0.000 0.318 274 A C -1.824 175.527 177.584 -0.387 0.000 1.134 274 A CA -1.395 50.203 52.037 -0.732 0.000 0.827 274 A CB 0.395 18.277 19.000 -1.863 0.000 1.136 274 A HN 0.123 nan 8.150 nan 0.000 0.493 275 P HA -0.060 nan 4.420 nan 0.000 0.268 275 P C -0.059 177.367 177.300 0.211 0.000 1.208 275 P CA 0.253 63.382 63.100 0.048 0.000 0.777 275 P CB 0.443 32.183 31.700 0.067 0.000 0.875 276 Y N 1.661 122.030 120.300 0.115 0.000 2.200 276 Y HA -0.036 4.514 4.550 -0.000 0.000 0.290 276 Y C 0.697 176.546 175.900 -0.086 0.000 1.137 276 Y CA 1.532 59.674 58.100 0.070 0.000 1.163 276 Y CB -0.026 38.154 38.460 -0.467 0.000 0.988 276 Y HN 0.097 nan 8.280 nan 0.000 0.518 277 F N 2.065 122.108 119.950 0.156 0.000 2.359 277 F HA 0.361 4.888 4.527 0.000 0.000 0.370 277 F C -1.771 173.977 175.800 -0.086 0.000 1.077 277 F CA -3.729 54.265 58.000 -0.010 0.000 1.136 277 F CB 0.768 39.767 39.000 -0.002 0.000 1.387 277 F HN -0.048 nan 8.300 nan 0.000 0.468 278 P HA -0.031 nan 4.420 nan 0.000 0.242 278 P C 0.147 177.169 177.300 -0.463 0.000 1.197 278 P CA 0.460 63.420 63.100 -0.234 0.000 0.765 278 P CB 0.399 31.958 31.700 -0.235 0.000 0.936 279 L N 2.911 123.860 121.223 -0.457 0.000 2.416 279 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 279 L C -0.603 176.122 176.870 -0.242 0.000 1.161 279 L CA -1.401 53.159 54.840 -0.467 0.000 0.845 279 L CB -0.449 41.340 42.059 -0.451 0.000 1.119 279 L HN -0.128 nan 8.230 nan 0.000 0.464 280 P HA -0.259 nan 4.420 nan 0.000 0.216 280 P C 0.847 178.054 177.300 -0.154 0.000 1.157 280 P CA 1.618 64.651 63.100 -0.112 0.000 0.880 280 P CB 0.067 31.723 31.700 -0.074 0.000 0.791 281 E N -0.751 119.261 120.200 -0.314 0.000 2.409 281 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 281 E C 1.085 177.498 176.600 -0.312 0.000 1.024 281 E CA 0.943 57.117 56.400 -0.377 0.000 0.861 281 E CB -0.784 28.572 29.700 -0.574 0.000 0.788 281 E HN 0.272 nan 8.360 nan 0.000 0.521 282 F N 0.966 120.834 119.950 -0.135 0.000 2.682 282 F HA 0.330 4.857 4.527 -0.000 0.000 0.308 282 F C 0.931 176.720 175.800 -0.017 0.000 1.093 282 F CA -0.701 57.232 58.000 -0.110 0.000 1.244 282 F CB 0.321 39.199 39.000 -0.204 0.000 1.052 282 F HN -0.199 nan 8.300 nan 0.000 0.573 316 R N 0.176 120.691 120.500 0.026 0.000 2.549 316 R HA 0.412 4.752 4.340 -0.000 0.000 0.267 316 R C 0.729 177.040 176.300 0.019 0.000 1.045 316 R CA -0.056 56.058 56.100 0.024 0.000 1.115 316 R CB 1.690 31.996 30.300 0.010 0.000 1.121 316 R HN 0.600 nan 8.270 nan 0.000 0.543 317 V N 1.608 121.539 119.914 0.028 0.000 2.828 317 V HA -0.177 3.943 4.120 -0.000 0.000 0.260 317 V C 1.720 177.769 176.094 -0.075 0.000 1.101 317 V CA 2.619 64.933 62.300 0.024 0.000 1.123 317 V CB -0.432 31.420 31.823 0.048 0.000 0.704 317 V HN 1.019 nan 8.190 nan 0.000 0.493 318 T N -4.355 110.135 114.554 -0.108 0.000 3.129 318 T HA -0.015 4.335 4.350 -0.000 0.000 0.251 318 T C 1.230 175.805 174.700 -0.209 0.000 1.117 318 T CA 0.797 62.764 62.100 -0.222 0.000 1.034 318 T CB -0.267 68.457 68.868 -0.241 0.000 0.968 318 T HN 0.470 nan 8.240 nan 0.000 0.526 319 D N 2.121 122.461 120.400 -0.099 0.000 2.084 319 D HA -0.068 4.572 4.640 -0.000 0.000 0.194 319 D C 2.214 178.489 176.300 -0.042 0.000 0.990 319 D CA 1.250 55.220 54.000 -0.050 0.000 0.826 319 D CB -0.155 40.648 40.800 0.006 0.000 0.971 319 D HN 0.549 nan 8.370 nan 0.000 0.453 320 E N 0.298 120.483 120.200 -0.026 0.000 2.085 320 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 320 E C 2.069 178.610 176.600 -0.099 0.000 0.994 320 E CA 0.992 57.400 56.400 0.012 0.000 0.801 320 E CB -0.104 29.632 29.700 0.059 0.000 0.743 320 E HN 0.227 nan 8.360 nan 0.000 0.453 321 A N 1.653 124.305 122.820 -0.281 0.000 1.858 321 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 321 A C 2.089 179.552 177.584 -0.202 0.000 1.190 321 A CA 1.346 53.094 52.037 -0.482 0.000 0.617 321 A CB -0.450 17.854 19.000 -1.159 0.000 0.827 321 A HN 0.085 nan 8.150 nan 0.000 0.443 322 R N -0.505 119.869 120.500 -0.210 0.000 2.091 322 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 322 R C 2.378 178.761 176.300 0.138 0.000 1.136 322 R CA 1.738 57.849 56.100 0.019 0.000 0.959 322 R CB -0.314 29.944 30.300 -0.071 0.000 0.856 322 R HN 0.616 nan 8.270 nan 0.000 0.437 323 K N 1.081 121.536 120.400 0.093 0.000 2.057 323 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 323 K C 2.098 178.814 176.600 0.194 0.000 1.049 323 K CA 1.059 57.429 56.287 0.138 0.000 0.931 323 K CB -0.032 32.548 32.500 0.133 0.000 0.714 323 K HN 0.095 nan 8.250 nan 0.000 0.440 324 L N -0.664 120.670 121.223 0.185 0.000 2.017 324 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 324 L C 1.208 178.317 176.870 0.398 0.000 1.073 324 L CA 0.829 55.799 54.840 0.217 0.000 0.745 324 L CB -0.148 41.945 42.059 0.056 0.000 0.894 324 L HN 0.378 nan 8.230 nan 0.000 0.432 325 W N -1.129 120.310 121.300 0.233 0.000 2.830 325 W HA 0.229 4.889 4.660 -0.000 0.000 0.335 325 W C -0.118 176.633 176.519 0.387 0.000 1.043 325 W CA -0.649 56.859 57.345 0.271 0.000 1.239 325 W CB 1.784 31.405 29.460 0.268 0.000 1.378 325 W HN -0.277 nan 8.180 nan 0.000 0.456 326 S N 2.813 118.381 115.700 -0.221 0.000 2.540 326 S HA 0.101 4.571 4.470 -0.000 0.000 0.218 326 S C 1.090 175.335 174.600 -0.592 0.000 0.977 326 S CA 0.199 58.300 58.200 -0.167 0.000 0.918 326 S CB 0.794 63.955 63.200 -0.066 0.000 0.806 326 S HN 0.613 nan 8.310 nan 0.000 0.496 327 G N 2.231 110.055 108.800 -1.626 0.000 3.814 327 G HA2 0.205 4.165 3.960 -0.000 0.000 0.293 327 G HA3 0.205 4.165 3.960 -0.000 0.000 0.293 327 G C 0.266 174.791 174.900 -0.624 0.000 1.243 327 G CA -0.809 43.593 45.100 -1.163 0.000 1.053 327 G HN 0.421 nan 8.290 nan 0.000 0.562 328 W N -0.072 120.825 121.300 -0.672 0.000 2.112 328 W HA 0.508 5.168 4.660 -0.000 0.000 0.349 328 W C -0.125 176.222 176.519 -0.286 0.000 1.289 328 W CA -1.521 55.584 57.345 -0.400 0.000 1.256 328 W CB 0.425 29.498 29.460 -0.645 0.000 1.148 328 W HN 0.053 nan 8.180 nan 0.000 0.590 329 R N 2.836 123.194 120.500 -0.237 0.000 2.295 329 R HA 0.102 4.442 4.340 -0.000 0.000 0.324 329 R C 0.116 176.368 176.300 -0.080 0.000 0.968 329 R CA -0.457 55.383 56.100 -0.435 0.000 0.837 329 R CB 0.568 30.375 30.300 -0.822 0.000 1.133 329 R HN 0.537 nan 8.270 nan 0.000 0.450 330 D N 3.984 124.311 120.400 -0.121 0.000 2.411 330 D HA -0.048 4.592 4.640 -0.000 0.000 0.251 330 D C 0.974 177.264 176.300 -0.018 0.000 1.201 330 D CA -0.547 53.498 54.000 0.075 0.000 0.996 330 D CB 0.645 41.457 40.800 0.020 0.000 1.101 330 D HN 0.451 nan 8.370 nan 0.000 0.504 331 M N 0.041 119.619 119.600 -0.036 0.000 2.080 331 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 331 M C 1.930 178.104 176.300 -0.210 0.000 1.068 331 M CA 1.929 57.145 55.300 -0.140 0.000 1.109 331 M CB -0.787 31.660 32.600 -0.254 0.000 1.342 331 M HN 0.698 nan 8.290 nan 0.000 0.405 332 E N -0.591 119.489 120.200 -0.200 0.000 2.058 332 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 332 E C 2.015 178.470 176.600 -0.241 0.000 0.997 332 E CA 1.753 58.010 56.400 -0.239 0.000 0.801 332 E CB -0.299 29.299 29.700 -0.170 0.000 0.746 332 E HN 0.724 nan 8.360 nan 0.000 0.450 333 E N -0.736 119.348 120.200 -0.193 0.000 2.106 333 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 333 E C 1.960 178.455 176.600 -0.175 0.000 0.984 333 E CA 1.050 57.337 56.400 -0.188 0.000 0.806 333 E CB -0.224 29.353 29.700 -0.205 0.000 0.750 333 E HN 0.394 nan 8.360 nan 0.000 0.458 334 Y N 0.832 120.981 120.300 -0.251 0.000 2.114 334 Y HA -0.176 4.374 4.550 -0.000 0.000 0.284 334 Y C 2.064 177.814 175.900 -0.251 0.000 1.143 334 Y CA 1.813 59.789 58.100 -0.207 0.000 1.135 334 Y CB -0.712 37.644 38.460 -0.173 0.000 0.980 334 Y HN 0.082 nan 8.280 nan 0.000 0.499 335 A N 0.758 123.173 122.820 -0.675 0.000 1.940 335 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 335 A C 2.380 179.654 177.584 -0.518 0.000 1.176 335 A CA 1.891 53.336 52.037 -0.987 0.000 0.631 335 A CB -0.582 17.530 19.000 -1.480 0.000 0.814 335 A HN 0.545 nan 8.150 nan 0.000 0.446 336 R N -1.010 119.270 120.500 -0.368 0.000 2.066 336 R HA -0.013 4.327 4.340 -0.000 0.000 0.224 336 R C 1.845 178.037 176.300 -0.180 0.000 1.122 336 R CA 1.230 57.200 56.100 -0.217 0.000 0.974 336 R CB -0.124 30.070 30.300 -0.176 0.000 0.871 336 R HN 0.526 nan 8.270 nan 0.000 0.435 337 E N -0.049 120.034 120.200 -0.194 0.000 2.216 337 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 337 E C 2.002 178.512 176.600 -0.149 0.000 0.973 337 E CA 0.754 57.067 56.400 -0.144 0.000 0.851 337 E CB 0.372 30.007 29.700 -0.107 0.000 0.804 337 E HN 0.112 nan 8.360 nan 0.000 0.477 338 V N 0.495 120.266 119.914 -0.238 0.000 2.627 338 V HA -0.045 4.075 4.120 -0.000 0.000 0.239 338 V C 2.020 177.964 176.094 -0.250 0.000 1.077 338 V CA 0.490 62.662 62.300 -0.212 0.000 1.103 338 V CB -0.617 31.132 31.823 -0.122 0.000 0.802 338 V HN 0.026 nan 8.190 nan 0.000 0.482 339 F N 2.730 122.262 119.950 -0.697 0.000 2.063 339 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 339 F C -0.255 175.511 175.800 -0.057 0.000 1.109 339 F CA 2.444 60.218 58.000 -0.375 0.000 1.212 339 F CB -1.602 37.148 39.000 -0.417 0.000 0.973 339 F HN 0.214 nan 8.300 nan 0.000 0.480 340 P HA -0.175 nan 4.420 nan 0.000 0.219 340 P C 1.780 178.917 177.300 -0.272 0.000 1.146 340 P CA 1.406 64.355 63.100 -0.252 0.000 0.808 340 P CB -0.056 31.511 31.700 -0.223 0.000 0.779 341 I N -0.743 119.717 120.570 -0.184 0.000 2.585 341 I HA -0.039 4.131 4.170 -0.000 0.000 0.254 341 I C 1.986 178.042 176.117 -0.101 0.000 1.129 341 I CA 1.110 62.329 61.300 -0.135 0.000 1.455 341 I CB -1.425 36.519 38.000 -0.093 0.000 1.111 341 I HN 0.081 nan 8.210 nan 0.000 0.433 342 E N 0.804 120.952 120.200 -0.086 0.000 2.106 342 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 342 E C 1.892 178.464 176.600 -0.046 0.000 0.984 342 E CA 0.738 57.124 56.400 -0.024 0.000 0.806 342 E CB 0.073 29.809 29.700 0.060 0.000 0.750 342 E HN 0.432 nan 8.360 nan 0.000 0.458 343 E N 1.121 121.238 120.200 -0.138 0.000 2.051 343 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 343 E C 1.980 178.556 176.600 -0.040 0.000 0.991 343 E CA 0.815 57.171 56.400 -0.073 0.000 0.799 343 E CB -0.219 29.458 29.700 -0.039 0.000 0.748 343 E HN 0.362 nan 8.360 nan 0.000 0.449 344 E N 0.789 120.924 120.200 -0.109 0.000 2.065 344 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 344 E C 1.928 178.503 176.600 -0.042 0.000 1.016 344 E CA 1.428 57.769 56.400 -0.099 0.000 0.818 344 E CB -0.097 29.525 29.700 -0.129 0.000 0.749 344 E HN 0.190 nan 8.360 nan 0.000 0.453 345 A N 0.303 123.106 122.820 -0.029 0.000 2.125 345 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 345 A C 1.491 179.088 177.584 0.022 0.000 1.156 345 A CA 1.311 53.346 52.037 -0.003 0.000 0.671 345 A CB -0.458 18.544 19.000 0.004 0.000 0.794 345 A HN 0.349 nan 8.150 nan 0.000 0.459 346 N N -0.641 118.079 118.700 0.032 0.000 2.251 346 N HA 0.335 5.075 4.740 -0.000 0.000 0.217 346 N C 0.311 175.854 175.510 0.054 0.000 1.124 346 N CA 0.239 53.326 53.050 0.061 0.000 0.843 346 N CB 0.239 38.782 38.487 0.092 0.000 1.024 346 N HN 0.508 nan 8.380 nan 0.000 0.501 347 G N 1.660 110.480 108.800 0.033 0.000 2.487 347 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.243 347 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.243 347 G C -0.511 174.421 174.900 0.054 0.000 0.918 347 G CA 0.170 45.288 45.100 0.031 0.000 1.260 347 G HN 0.171 nan 8.290 nan 0.000 0.408 348 L N 0.472 121.724 121.223 0.048 0.000 2.309 348 L HA 0.722 5.062 4.340 -0.000 0.000 0.240 348 L C 0.326 177.217 176.870 0.035 0.000 1.136 348 L CA -1.033 53.875 54.840 0.113 0.000 0.985 348 L CB 1.501 43.721 42.059 0.267 0.000 1.572 348 L HN 0.309 nan 8.230 nan 0.000 0.426 349 D N -1.297 119.145 120.400 0.070 0.000 2.001 349 D HA -0.057 4.583 4.640 -0.000 0.000 0.348 349 D C 1.627 177.876 176.300 -0.085 0.000 1.074 349 D CA 0.270 54.251 54.000 -0.031 0.000 0.928 349 D CB 0.113 40.932 40.800 0.032 0.000 1.823 349 D HN 0.695 nan 8.370 nan 0.000 0.540 350 W N 3.480 124.798 121.300 0.030 0.000 2.258 350 W HA -0.312 4.348 4.660 -0.000 0.000 0.302 350 W C 1.641 178.199 176.519 0.064 0.000 1.241 350 W CA 1.454 58.829 57.345 0.049 0.000 1.246 350 W CB -1.230 28.283 29.460 0.089 0.000 1.134 350 W HN 0.051 nan 8.180 nan 0.000 0.531 351 M N 1.022 120.074 119.600 -0.914 0.000 2.123 351 M HA 0.059 4.539 4.480 -0.000 0.000 0.263 351 M C 1.512 177.618 176.300 -0.323 0.000 1.069 351 M CA 1.052 55.889 55.300 -0.773 0.000 1.133 351 M CB -1.776 30.212 32.600 -1.021 0.000 1.356 351 M HN -0.011 nan 8.290 nan 0.000 0.415 352 L N 0.000 121.062 121.223 -0.268 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.752 54.840 -0.146 0.000 0.813 352 L CB 0.000 41.991 42.059 -0.114 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502