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 2ggg_1_D DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKFR FETSFGVQTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TICGALCLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.510 176.300 0.350 0.000 0.893 6 R CA 0.000 56.241 56.100 0.235 0.000 0.921 6 R CB 0.000 30.383 30.300 0.138 0.000 0.687 7 M N 1.269 121.002 119.600 0.222 0.000 2.240 7 M HA 0.259 4.739 4.480 -0.000 0.000 0.317 7 M C -0.371 176.095 176.300 0.275 0.000 1.087 7 M CA 0.373 55.778 55.300 0.176 0.000 1.176 7 M CB -0.129 32.473 32.600 0.004 0.000 1.439 7 M HN 0.513 nan 8.290 nan 0.000 0.452 8 F N -0.033 119.999 119.950 0.136 0.000 2.577 8 F HA 0.762 5.289 4.527 -0.000 0.000 0.318 8 F C -0.865 175.012 175.800 0.128 0.000 1.065 8 F CA -1.320 56.771 58.000 0.151 0.000 0.929 8 F CB 1.275 40.408 39.000 0.221 0.000 1.237 8 F HN 0.476 nan 8.300 nan 0.000 0.468 9 K N 3.985 124.518 120.400 0.222 0.000 2.345 9 K HA 0.593 4.913 4.320 -0.000 0.000 0.255 9 K C -1.556 175.185 176.600 0.235 0.000 0.934 9 K CA -0.632 55.718 56.287 0.106 0.000 0.801 9 K CB 1.513 34.033 32.500 0.035 0.000 1.137 9 K HN 0.887 nan 8.250 nan 0.000 0.424 10 I N 4.660 125.378 120.570 0.248 0.000 2.312 10 I HA 0.093 4.263 4.170 -0.000 0.000 0.291 10 I C 0.619 176.847 176.117 0.184 0.000 1.031 10 I CA -0.192 61.268 61.300 0.267 0.000 1.293 10 I CB 1.407 39.592 38.000 0.309 0.000 1.403 10 I HN 0.838 nan 8.210 nan 0.000 0.484 11 E N 4.259 124.565 120.200 0.177 0.000 2.099 11 E HA 0.245 4.595 4.350 -0.000 0.000 0.191 11 E C 0.476 177.158 176.600 0.137 0.000 0.962 11 E CA 0.328 56.808 56.400 0.133 0.000 0.826 11 E CB 0.479 30.249 29.700 0.117 0.000 0.788 11 E HN 0.781 nan 8.360 nan 0.000 0.461 12 A N 0.211 123.144 122.820 0.188 0.000 2.564 12 A HA 0.851 5.171 4.320 -0.000 0.000 0.288 12 A C -1.628 176.116 177.584 0.266 0.000 1.164 12 A CA -0.256 51.898 52.037 0.195 0.000 0.712 12 A CB 1.786 20.860 19.000 0.124 0.000 1.303 12 A HN 0.095 nan 8.150 nan 0.000 0.418 13 A N 0.294 123.271 122.820 0.262 0.000 2.488 13 A HA 0.676 4.996 4.320 -0.000 0.000 0.295 13 A C -1.079 176.655 177.584 0.251 0.000 1.045 13 A CA -0.360 51.822 52.037 0.241 0.000 0.703 13 A CB 0.978 20.087 19.000 0.180 0.000 1.271 13 A HN 0.705 nan 8.150 nan 0.000 0.400 14 E N 1.375 121.704 120.200 0.214 0.000 2.191 14 E HA 0.586 4.936 4.350 -0.000 0.000 0.274 14 E C -1.053 175.627 176.600 0.132 0.000 0.948 14 E CA -0.466 56.032 56.400 0.164 0.000 0.802 14 E CB 2.216 32.007 29.700 0.152 0.000 1.137 14 E HN 0.586 nan 8.360 nan 0.000 0.397 15 I N 2.824 123.471 120.570 0.128 0.000 2.362 15 I HA 0.287 4.457 4.170 -0.000 0.000 0.289 15 I C -0.906 175.240 176.117 0.048 0.000 0.994 15 I CA -0.873 60.481 61.300 0.091 0.000 1.158 15 I CB 1.503 39.574 38.000 0.118 0.000 1.315 15 I HN 0.171 nan 8.210 nan 0.000 0.451 16 V N 7.214 127.143 119.914 0.024 0.000 2.483 16 V HA 0.370 4.490 4.120 -0.000 0.000 0.297 16 V C -0.222 175.862 176.094 -0.015 0.000 1.027 16 V CA -0.707 61.593 62.300 -0.000 0.000 0.855 16 V CB 2.122 33.941 31.823 -0.007 0.000 0.995 16 V HN 0.370 nan 8.190 nan 0.000 0.424 17 V N 4.301 124.201 119.914 -0.023 0.000 2.347 17 V HA 0.822 4.942 4.120 -0.000 0.000 0.280 17 V C 0.492 176.556 176.094 -0.051 0.000 1.021 17 V CA -0.270 62.012 62.300 -0.031 0.000 0.847 17 V CB 1.247 33.058 31.823 -0.020 0.000 0.990 17 V HN 0.995 nan 8.190 nan 0.000 0.444 18 A N 5.370 128.149 122.820 -0.068 0.000 2.288 18 A HA 0.947 5.267 4.320 -0.000 0.000 0.328 18 A C -0.216 177.323 177.584 -0.075 0.000 1.123 18 A CA -0.891 51.088 52.037 -0.096 0.000 0.861 18 A CB 1.475 20.390 19.000 -0.142 0.000 1.272 18 A HN 0.749 nan 8.150 nan 0.000 0.490 19 R N 0.431 120.886 120.500 -0.074 0.000 2.538 19 R HA 0.562 4.902 4.340 -0.000 0.000 0.292 19 R C -2.237 174.048 176.300 -0.026 0.000 1.008 19 R CA -0.600 55.490 56.100 -0.016 0.000 0.896 19 R CB 1.143 31.465 30.300 0.038 0.000 1.187 19 R HN 0.525 nan 8.270 nan 0.000 0.440 20 L N 5.909 127.120 121.223 -0.021 0.000 2.341 20 L HA 0.579 4.918 4.340 -0.000 0.000 0.278 20 L C -2.286 174.630 176.870 0.076 0.000 1.005 20 L CA -2.485 52.344 54.840 -0.018 0.000 0.818 20 L CB 1.650 43.531 42.059 -0.297 0.000 1.259 20 L HN 0.561 nan 8.230 nan 0.000 0.418 21 P HA 0.216 nan 4.420 nan 0.000 0.275 21 P C 0.490 177.810 177.300 0.033 0.000 1.228 21 P CA -0.315 62.641 63.100 -0.240 0.000 0.786 21 P CB 1.053 32.607 31.700 -0.244 0.000 0.927 22 L N 2.507 123.673 121.223 -0.095 0.000 2.522 22 L HA 0.118 4.458 4.340 -0.000 0.000 0.157 22 L C 1.682 178.412 176.870 -0.234 0.000 1.397 22 L CA 0.781 55.511 54.840 -0.183 0.000 2.938 22 L CB -0.081 41.758 42.059 -0.366 0.000 2.913 22 L HN 0.458 nan 8.230 nan 0.000 0.949 23 K N -2.529 117.651 120.400 -0.366 0.000 2.026 23 K HA 0.051 4.371 4.320 -0.000 0.000 0.125 23 K C -0.695 175.851 176.600 -0.090 0.000 2.119 23 K CA -0.100 56.075 56.287 -0.187 0.000 1.133 23 K CB 0.364 32.771 32.500 -0.155 0.000 2.262 23 K HN 0.319 nan 8.250 nan 0.000 0.449 24 F N 0.207 120.088 119.950 -0.116 0.000 2.639 24 F HA 0.645 5.171 4.527 -0.000 0.000 0.339 24 F C -0.587 175.212 175.800 -0.001 0.000 1.071 24 F CA -1.273 56.686 58.000 -0.067 0.000 0.994 24 F CB 0.746 39.681 39.000 -0.109 0.000 1.341 24 F HN -0.319 nan 8.300 nan 0.000 0.498 25 R N 1.119 121.809 120.500 0.318 0.000 2.474 25 R HA 0.620 4.960 4.340 -0.000 0.000 0.295 25 R C -2.336 174.235 176.300 0.451 0.000 0.980 25 R CA -0.656 55.600 56.100 0.261 0.000 0.934 25 R CB 1.267 31.663 30.300 0.159 0.000 1.101 25 R HN 0.853 nan 8.270 nan 0.000 0.469 26 F N 3.817 123.861 119.950 0.156 0.000 3.240 26 F HA 0.176 4.703 4.527 -0.000 0.000 0.370 26 F C -1.216 174.612 175.800 0.047 0.000 1.271 26 F CA -0.346 57.744 58.000 0.150 0.000 1.224 26 F CB 0.885 40.072 39.000 0.311 0.000 1.624 26 F HN 0.693 nan 8.300 nan 0.000 0.658 27 E N 3.212 123.339 120.200 -0.122 0.000 3.243 27 E HA -0.154 4.196 4.350 -0.000 0.000 0.178 27 E C -0.211 176.068 176.600 -0.537 0.000 1.421 27 E CA 1.030 57.279 56.400 -0.252 0.000 0.787 27 E CB -1.091 28.553 29.700 -0.093 0.000 1.099 27 E HN 0.797 nan 8.360 nan 0.000 0.396 28 T N -1.758 112.468 114.554 -0.547 0.000 3.029 28 T HA 0.169 4.519 4.350 -0.000 0.000 0.256 28 T C 0.942 175.334 174.700 -0.514 0.000 0.914 28 T CA 1.875 63.547 62.100 -0.713 0.000 0.880 28 T CB 0.158 68.377 68.868 -1.081 0.000 1.246 28 T HN 0.674 nan 8.240 nan 0.000 0.523 29 S N 0.071 115.544 115.700 -0.379 0.000 1.337 29 S HA -0.139 4.331 4.470 -0.000 0.000 0.251 29 S C 0.777 175.328 174.600 -0.081 0.000 0.730 29 S CA 0.937 59.024 58.200 -0.190 0.000 1.068 29 S CB -2.181 60.935 63.200 -0.141 0.000 1.153 29 S HN 0.627 nan 8.310 nan 0.000 0.493 30 F N 1.848 121.793 119.950 -0.009 0.000 2.695 30 F HA 0.765 5.292 4.527 -0.000 0.000 0.303 30 F C 1.080 176.887 175.800 0.011 0.000 1.091 30 F CA 0.229 58.232 58.000 0.003 0.000 1.300 30 F CB 0.705 39.713 39.000 0.013 0.000 1.071 30 F HN 0.818 nan 8.300 nan 0.000 0.578 31 G N -0.017 108.746 108.800 -0.060 0.000 2.368 31 G HA2 0.210 4.170 3.960 -0.000 0.000 0.302 31 G HA3 0.210 4.170 3.960 -0.000 0.000 0.302 31 G C -1.358 173.496 174.900 -0.077 0.000 1.329 31 G CA -0.299 44.807 45.100 0.010 0.000 0.935 31 G HN 0.123 nan 8.290 nan 0.000 0.590 32 V N -0.589 119.329 119.914 0.007 0.000 4.872 32 V HA 0.848 4.968 4.120 -0.000 0.000 0.269 32 V C 0.354 176.507 176.094 0.098 0.000 1.201 32 V CA 0.985 63.301 62.300 0.027 0.000 0.682 32 V CB 1.002 32.854 31.823 0.049 0.000 1.200 32 V HN 1.132 nan 8.190 nan 0.000 0.366 33 Q N -1.296 118.586 119.800 0.137 0.000 3.534 33 Q HA 0.073 4.413 4.340 -0.000 0.000 0.139 33 Q C -0.446 175.647 176.000 0.156 0.000 0.951 33 Q CA 0.611 56.521 55.803 0.179 0.000 1.317 33 Q CB 0.318 29.210 28.738 0.256 0.000 1.398 33 Q HN 0.957 nan 8.270 nan 0.000 0.621 34 T N -2.533 112.125 114.554 0.173 0.000 2.964 34 T HA 0.250 4.600 4.350 -0.000 0.000 0.250 34 T C 0.394 175.218 174.700 0.207 0.000 0.982 34 T CA 0.187 62.390 62.100 0.173 0.000 0.959 34 T CB 0.287 69.296 68.868 0.236 0.000 1.141 34 T HN 0.551 nan 8.240 nan 0.000 0.494 35 H N 0.555 119.667 119.070 0.069 0.000 2.797 35 H HA 0.753 5.309 4.556 -0.000 0.000 0.362 35 H C -1.207 174.194 175.328 0.121 0.000 1.183 35 H CA -1.110 54.996 56.048 0.097 0.000 1.197 35 H CB 2.342 32.148 29.762 0.072 0.000 1.835 35 H HN 0.050 nan 8.280 nan 0.000 0.567 36 K N 0.996 121.557 120.400 0.269 0.000 2.507 36 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 36 K C -1.819 174.844 176.600 0.105 0.000 0.943 36 K CA -0.537 55.874 56.287 0.207 0.000 0.794 36 K CB 1.566 34.267 32.500 0.335 0.000 1.188 36 K HN 0.277 nan 8.250 nan 0.000 0.428 37 V N 4.396 124.354 119.914 0.074 0.000 2.465 37 V HA 0.403 4.523 4.120 -0.000 0.000 0.279 37 V C -0.561 175.528 176.094 -0.009 0.000 1.045 37 V CA -0.801 61.513 62.300 0.024 0.000 0.938 37 V CB 1.452 33.290 31.823 0.025 0.000 0.986 37 V HN 0.577 nan 8.190 nan 0.000 0.467 38 V N 7.206 127.092 119.914 -0.047 0.000 2.284 38 V HA 0.338 4.458 4.120 -0.000 0.000 0.274 38 V C -2.492 173.572 176.094 -0.049 0.000 1.023 38 V CA -1.795 60.466 62.300 -0.066 0.000 0.808 38 V CB 1.419 33.164 31.823 -0.130 0.000 1.035 38 V HN 0.757 nan 8.190 nan 0.000 0.445 39 P HA 0.438 nan 4.420 nan 0.000 0.287 39 P C -0.735 176.553 177.300 -0.021 0.000 1.294 39 P CA -0.105 62.982 63.100 -0.020 0.000 0.776 39 P CB 1.006 32.699 31.700 -0.011 0.000 0.889 40 L N 3.666 124.880 121.223 -0.015 0.000 2.334 40 L HA 0.609 4.949 4.340 -0.000 0.000 0.273 40 L C -0.184 176.691 176.870 0.007 0.000 1.013 40 L CA -1.138 53.697 54.840 -0.008 0.000 0.816 40 L CB 1.872 43.924 42.059 -0.012 0.000 1.278 40 L HN 0.228 nan 8.230 nan 0.000 0.431 41 L N 3.842 125.071 121.223 0.009 0.000 2.385 41 L HA 0.614 4.954 4.340 -0.000 0.000 0.273 41 L C -1.080 175.795 176.870 0.008 0.000 0.990 41 L CA 0.033 54.885 54.840 0.021 0.000 0.821 41 L CB 1.628 43.699 42.059 0.020 0.000 1.279 41 L HN 0.384 nan 8.230 nan 0.000 0.412 42 I N 6.363 126.935 120.570 0.003 0.000 2.411 42 I HA 0.345 4.515 4.170 -0.000 0.000 0.284 42 I C -0.787 175.251 176.117 -0.133 0.000 1.012 42 I CA -0.481 60.772 61.300 -0.078 0.000 1.119 42 I CB 1.410 39.365 38.000 -0.074 0.000 1.261 42 I HN 0.449 nan 8.210 nan 0.000 0.448 43 L N 5.851 126.986 121.223 -0.146 0.000 2.312 43 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 43 L C -0.216 176.520 176.870 -0.224 0.000 1.070 43 L CA -0.574 54.214 54.840 -0.087 0.000 0.805 43 L CB 0.670 42.736 42.059 0.011 0.000 1.174 43 L HN 0.500 nan 8.230 nan 0.000 0.434 44 H N 2.187 121.311 119.070 0.089 0.000 2.505 44 H HA 0.662 5.218 4.556 -0.000 0.000 0.338 44 H C -0.125 175.268 175.328 0.107 0.000 1.057 44 H CA -0.494 55.602 56.048 0.081 0.000 1.202 44 H CB 2.184 31.986 29.762 0.067 0.000 1.466 44 H HN 0.776 nan 8.280 nan 0.000 0.499 45 G N 1.549 110.472 108.800 0.205 0.000 2.733 45 G HA2 0.218 4.178 3.960 -0.000 0.000 0.297 45 G HA3 0.218 4.178 3.960 -0.000 0.000 0.297 45 G C -0.777 174.217 174.900 0.157 0.000 1.452 45 G CA -0.866 44.353 45.100 0.199 0.000 0.940 45 G HN 0.462 nan 8.290 nan 0.000 0.547 46 E N -0.196 120.090 120.200 0.143 0.000 2.476 46 E HA -0.265 4.085 4.350 -0.000 0.000 0.251 46 E C 1.450 178.099 176.600 0.081 0.000 1.130 46 E CA 1.770 58.238 56.400 0.112 0.000 0.736 46 E CB -1.618 28.160 29.700 0.130 0.000 1.298 46 E HN 2.525 nan 8.360 nan 0.000 0.400 47 G N -1.677 107.173 108.800 0.083 0.000 2.166 47 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 47 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 47 G C 0.545 175.484 174.900 0.065 0.000 0.986 47 G CA 1.293 46.434 45.100 0.068 0.000 0.683 47 G HN 1.022 nan 8.290 nan 0.000 0.527 48 V N -3.457 116.498 119.914 0.068 0.000 3.181 48 V HA 0.983 5.103 4.120 -0.000 0.000 0.314 48 V C -0.271 175.851 176.094 0.047 0.000 1.173 48 V CA -0.377 61.947 62.300 0.041 0.000 1.052 48 V CB 1.746 33.567 31.823 -0.003 0.000 1.123 48 V HN 0.868 nan 8.190 nan 0.000 0.454 49 Q N 0.124 119.916 119.800 -0.012 0.000 2.456 49 Q HA 0.819 5.159 4.340 -0.000 0.000 0.283 49 Q C -0.524 175.422 176.000 -0.090 0.000 1.084 49 Q CA -0.708 55.034 55.803 -0.103 0.000 0.801 49 Q CB 2.305 30.914 28.738 -0.215 0.000 1.434 49 Q HN 1.209 nan 8.270 nan 0.000 0.419 50 G N 0.492 109.233 108.800 -0.100 0.000 2.530 50 G HA2 0.584 4.543 3.960 -0.000 0.000 0.316 50 G HA3 0.584 4.543 3.960 -0.000 0.000 0.316 50 G C -1.106 173.780 174.900 -0.023 0.000 1.298 50 G CA -0.677 44.400 45.100 -0.037 0.000 0.948 50 G HN 0.385 nan 8.290 nan 0.000 0.486 51 V N 0.766 120.703 119.914 0.038 0.000 2.540 51 V HA 0.862 4.982 4.120 -0.000 0.000 0.302 51 V C 0.254 176.455 176.094 0.178 0.000 1.035 51 V CA -0.724 61.611 62.300 0.058 0.000 0.873 51 V CB 1.149 32.993 31.823 0.035 0.000 0.992 51 V HN 1.183 nan 8.190 nan 0.000 0.428 52 A N 3.161 126.034 122.820 0.088 0.000 2.469 52 A HA 0.862 5.182 4.320 -0.000 0.000 0.299 52 A C -0.852 176.715 177.584 -0.027 0.000 1.098 52 A CA -0.668 51.373 52.037 0.007 0.000 0.737 52 A CB 1.883 20.806 19.000 -0.128 0.000 1.312 52 A HN 0.854 nan 8.150 nan 0.000 0.414 53 E N 0.965 121.125 120.200 -0.067 0.000 2.171 53 E HA 0.525 4.875 4.350 -0.000 0.000 0.271 53 E C 0.194 176.758 176.600 -0.061 0.000 0.916 53 E CA -0.643 55.730 56.400 -0.045 0.000 0.774 53 E CB 1.465 31.150 29.700 -0.025 0.000 1.128 53 E HN 0.899 nan 8.360 nan 0.000 0.403 54 G N 1.663 110.440 108.800 -0.039 0.000 2.406 54 G HA2 0.132 4.092 3.960 -0.000 0.000 0.251 54 G HA3 0.132 4.092 3.960 -0.000 0.000 0.251 54 G C 0.676 175.560 174.900 -0.026 0.000 1.271 54 G CA 0.042 45.124 45.100 -0.030 0.000 0.859 54 G HN 0.616 nan 8.290 nan 0.000 0.540 55 T N 0.620 115.159 114.554 -0.025 0.000 3.092 55 T HA 0.182 4.532 4.350 -0.000 0.000 0.258 55 T C 1.179 175.876 174.700 -0.004 0.000 1.031 55 T CA -0.396 61.691 62.100 -0.021 0.000 0.925 55 T CB -0.125 68.720 68.868 -0.039 0.000 1.036 55 T HN 0.504 nan 8.240 nan 0.000 0.544 56 M N 1.097 120.700 119.600 0.005 0.000 2.226 56 M HA 0.542 5.022 4.480 -0.000 0.000 0.324 56 M C -0.452 175.855 176.300 0.011 0.000 1.112 56 M CA -0.099 55.209 55.300 0.012 0.000 1.176 56 M CB 0.023 32.626 32.600 0.005 0.000 1.430 56 M HN 0.044 nan 8.290 nan 0.000 0.462 57 E N 0.616 120.821 120.200 0.010 0.000 2.239 57 E HA 0.612 4.962 4.350 -0.000 0.000 0.261 57 E C 0.937 177.541 176.600 0.007 0.000 1.016 57 E CA -0.375 56.036 56.400 0.018 0.000 0.882 57 E CB 1.403 31.115 29.700 0.019 0.000 1.190 57 E HN 0.778 nan 8.360 nan 0.000 0.415 58 A N 1.860 124.691 122.820 0.017 0.000 1.883 58 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 58 A C 0.704 178.284 177.584 -0.007 0.000 1.186 58 A CA 1.378 53.419 52.037 0.006 0.000 0.624 58 A CB -0.120 18.888 19.000 0.014 0.000 0.822 58 A HN 0.442 nan 8.150 nan 0.000 0.444 59 R N -0.811 119.685 120.500 -0.006 0.000 2.740 59 R HA 0.409 4.748 4.340 -0.000 0.000 0.282 59 R C -2.975 173.288 176.300 -0.060 0.000 0.969 59 R CA -2.266 53.818 56.100 -0.027 0.000 0.918 59 R CB 1.192 31.485 30.300 -0.012 0.000 1.175 59 R HN 0.034 nan 8.270 nan 0.000 0.464 60 P HA 0.118 nan 4.420 nan 0.000 0.252 60 P C -0.360 176.788 177.300 -0.254 0.000 1.727 60 P CA 0.230 63.222 63.100 -0.180 0.000 1.134 60 P CB 0.385 31.972 31.700 -0.188 0.000 1.876 61 M N 1.087 120.507 119.600 -0.299 0.000 2.858 61 M HA 0.048 4.527 4.480 -0.000 0.000 0.255 61 M C 1.902 177.637 176.300 -0.941 0.000 1.336 61 M CA 0.806 55.844 55.300 -0.436 0.000 1.220 61 M CB -0.226 32.254 32.600 -0.200 0.000 1.252 61 M HN 0.099 nan 8.290 nan 0.000 0.538 62 Y N 0.753 120.373 120.300 -1.134 0.000 2.176 62 Y HA 0.157 4.707 4.550 -0.000 0.000 0.291 62 Y C 1.392 176.934 175.900 -0.596 0.000 1.122 62 Y CA 1.148 58.626 58.100 -1.037 0.000 1.128 62 Y CB 0.487 38.589 38.460 -0.596 0.000 1.005 62 Y HN -0.057 nan 8.280 nan 0.000 0.509 63 R N -0.642 119.472 120.500 -0.643 0.000 3.041 63 R HA 0.106 4.446 4.340 -0.000 0.000 0.254 63 R C 1.071 177.045 176.300 -0.543 0.000 1.244 63 R CA 0.098 55.737 56.100 -0.768 0.000 1.023 63 R CB 0.742 30.693 30.300 -0.582 0.000 1.332 63 R HN 0.179 nan 8.270 nan 0.000 0.463 64 E N 0.844 120.754 120.200 -0.484 0.000 2.371 64 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 64 E C -0.648 175.855 176.600 -0.162 0.000 1.012 64 E CA 0.868 57.070 56.400 -0.331 0.000 0.860 64 E CB 0.308 29.867 29.700 -0.234 0.000 0.811 64 E HN 0.431 nan 8.360 nan 0.000 0.502 65 E N 1.214 121.347 120.200 -0.113 0.000 2.319 65 E HA 0.269 4.619 4.350 -0.000 0.000 0.268 65 E C -0.274 176.295 176.600 -0.052 0.000 1.050 65 E CA -0.061 56.306 56.400 -0.055 0.000 0.878 65 E CB 1.233 30.923 29.700 -0.017 0.000 1.066 65 E HN 0.251 nan 8.360 nan 0.000 0.406 66 T N -1.724 112.807 114.554 -0.038 0.000 2.916 66 T HA 0.394 4.744 4.350 -0.000 0.000 0.292 66 T C 1.100 175.786 174.700 -0.023 0.000 1.055 66 T CA -0.787 61.294 62.100 -0.032 0.000 1.009 66 T CB 0.754 69.600 68.868 -0.036 0.000 1.118 66 T HN 0.387 nan 8.240 nan 0.000 0.497 67 I N 0.504 121.064 120.570 -0.016 0.000 2.226 67 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 67 I C 2.941 179.046 176.117 -0.020 0.000 1.100 67 I CA 1.384 62.676 61.300 -0.014 0.000 1.374 67 I CB -0.457 37.538 38.000 -0.008 0.000 1.057 67 I HN 0.901 nan 8.210 nan 0.000 0.413 68 C N 1.564 120.850 119.300 -0.023 0.000 2.436 68 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 68 C C 3.001 177.967 174.990 -0.039 0.000 1.241 68 C CA 1.247 60.249 59.018 -0.027 0.000 1.721 68 C CB -1.561 26.163 27.740 -0.025 0.000 2.043 68 C HN 0.594 nan 8.230 nan 0.000 0.472 69 G N 0.037 108.812 108.800 -0.042 0.000 2.422 69 G HA2 0.016 3.976 3.960 -0.000 0.000 0.218 69 G HA3 0.016 3.976 3.960 -0.000 0.000 0.218 69 G C 1.995 176.852 174.900 -0.072 0.000 1.146 69 G CA 1.181 46.248 45.100 -0.056 0.000 0.769 69 G HN 0.868 nan 8.290 nan 0.000 0.547 70 A N 0.476 123.265 122.820 -0.051 0.000 1.930 70 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 70 A C 2.426 179.967 177.584 -0.070 0.000 1.175 70 A CA 1.095 53.103 52.037 -0.048 0.000 0.627 70 A CB -0.323 18.672 19.000 -0.008 0.000 0.815 70 A HN 0.349 nan 8.150 nan 0.000 0.443 71 L N -0.955 120.236 121.223 -0.054 0.000 2.056 71 L HA -0.230 4.110 4.340 -0.000 0.000 0.207 71 L C 2.740 179.555 176.870 -0.091 0.000 1.078 71 L CA 1.142 55.950 54.840 -0.053 0.000 0.749 71 L CB -0.949 41.096 42.059 -0.023 0.000 0.901 71 L HN 0.466 nan 8.230 nan 0.000 0.433 72 C N -0.085 119.158 119.300 -0.095 0.000 2.375 72 C HA -0.248 4.212 4.460 -0.000 0.000 0.274 72 C C 2.775 177.643 174.990 -0.204 0.000 1.190 72 C CA 1.146 60.091 59.018 -0.121 0.000 1.775 72 C CB -0.817 26.856 27.740 -0.112 0.000 2.067 72 C HN 0.450 nan 8.230 nan 0.000 0.463 73 L N -0.176 120.881 121.223 -0.277 0.000 2.109 73 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 73 L C 2.243 178.757 176.870 -0.592 0.000 1.086 73 L CA 1.516 56.048 54.840 -0.513 0.000 0.760 73 L CB -0.657 41.061 42.059 -0.568 0.000 0.910 73 L HN 0.319 nan 8.230 nan 0.000 0.437 74 L N -0.494 120.538 121.223 -0.318 0.000 1.994 74 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 74 L C 2.809 179.545 176.870 -0.224 0.000 1.071 74 L CA 1.878 56.613 54.840 -0.174 0.000 0.745 74 L CB -0.529 41.493 42.059 -0.063 0.000 0.892 74 L HN 0.352 nan 8.230 nan 0.000 0.431 75 R N -0.319 120.044 120.500 -0.228 0.000 2.090 75 R HA -0.019 4.321 4.340 -0.000 0.000 0.228 75 R C 2.165 178.346 176.300 -0.197 0.000 1.110 75 R CA 1.284 57.224 56.100 -0.268 0.000 0.973 75 R CB -0.974 29.243 30.300 -0.138 0.000 0.869 75 R HN 0.258 nan 8.270 nan 0.000 0.440 76 G N -0.358 108.327 108.800 -0.192 0.000 2.494 76 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.216 76 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.216 76 G C 0.846 175.634 174.900 -0.187 0.000 1.140 76 G CA 0.992 45.994 45.100 -0.163 0.000 0.801 76 G HN 0.375 nan 8.290 nan 0.000 0.536 77 T N -0.385 113.996 114.554 -0.288 0.000 3.388 77 T HA 0.191 4.540 4.350 -0.000 0.000 0.254 77 T C 1.760 176.397 174.700 -0.105 0.000 1.002 77 T CA -0.194 61.723 62.100 -0.305 0.000 1.164 77 T CB -0.101 68.378 68.868 -0.648 0.000 1.184 77 T HN -0.008 nan 8.240 nan 0.000 0.399 78 F N 2.345 122.204 119.950 -0.152 0.000 2.084 78 F HA 0.194 4.721 4.527 -0.000 0.000 0.296 78 F C 2.283 178.044 175.800 -0.065 0.000 1.111 78 F CA 0.289 58.232 58.000 -0.094 0.000 1.224 78 F CB -1.401 37.542 39.000 -0.095 0.000 0.991 78 F HN 0.052 nan 8.300 nan 0.000 0.471 79 L N -0.107 121.166 121.223 0.084 0.000 1.989 79 L HA -0.193 4.146 4.340 -0.000 0.000 0.211 79 L C -0.155 176.734 176.870 0.031 0.000 1.071 79 L CA 1.795 56.642 54.840 0.011 0.000 0.749 79 L CB -2.315 39.660 42.059 -0.140 0.000 0.890 79 L HN 0.077 nan 8.230 nan 0.000 0.431 80 P HA -0.185 nan 4.420 nan 0.000 0.218 80 P C 1.254 178.597 177.300 0.071 0.000 1.146 80 P CA 1.739 64.858 63.100 0.031 0.000 0.813 80 P CB -0.014 31.690 31.700 0.007 0.000 0.778 81 A N -1.000 121.881 122.820 0.103 0.000 2.119 81 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 81 A C 1.908 179.596 177.584 0.173 0.000 1.152 81 A CA 1.076 53.195 52.037 0.137 0.000 0.708 81 A CB -1.124 17.983 19.000 0.179 0.000 0.805 81 A HN 0.381 nan 8.150 nan 0.000 0.460 82 I N -4.683 115.992 120.570 0.175 0.000 4.312 82 I HA 0.350 4.519 4.170 -0.000 0.000 0.324 82 I C 0.021 176.287 176.117 0.247 0.000 1.298 82 I CA -0.340 61.131 61.300 0.286 0.000 1.231 82 I CB 0.025 38.125 38.000 0.167 0.000 1.152 82 I HN -0.102 nan 8.210 nan 0.000 0.421 83 L N 3.791 125.105 121.223 0.150 0.000 2.513 83 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 83 L C 1.399 178.322 176.870 0.089 0.000 1.187 83 L CA 1.106 56.022 54.840 0.126 0.000 0.895 83 L CB 0.354 42.475 42.059 0.103 0.000 1.147 83 L HN 0.624 nan 8.230 nan 0.000 0.483 84 G N 1.610 110.458 108.800 0.080 0.000 2.179 84 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.260 84 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.260 84 G C 0.304 175.177 174.900 -0.044 0.000 0.977 84 G CA -0.299 44.817 45.100 0.026 0.000 0.641 84 G HN 0.536 nan 8.290 nan 0.000 0.533 85 Q N 0.314 120.068 119.800 -0.076 0.000 2.221 85 Q HA 0.608 4.948 4.340 -0.000 0.000 0.242 85 Q C -0.137 175.518 176.000 -0.576 0.000 0.940 85 Q CA 0.083 55.670 55.803 -0.361 0.000 0.896 85 Q CB 1.332 29.758 28.738 -0.519 0.000 1.226 85 Q HN 0.218 nan 8.270 nan 0.000 0.463 86 T N 1.916 116.000 114.554 -0.783 0.000 2.797 86 T HA 0.670 5.020 4.350 -0.000 0.000 0.279 86 T C -0.764 173.310 174.700 -1.044 0.000 0.991 86 T CA -0.282 61.404 62.100 -0.689 0.000 0.979 86 T CB 0.233 68.888 68.868 -0.354 0.000 0.943 86 T HN 0.240 nan 8.240 nan 0.000 0.444 87 F N 0.162 119.715 119.950 -0.661 0.000 2.588 87 F HA 0.625 5.152 4.527 -0.000 0.000 0.314 87 F C 0.994 176.347 175.800 -0.746 0.000 1.069 87 F CA -1.292 56.271 58.000 -0.728 0.000 0.931 87 F CB 1.512 39.977 39.000 -0.891 0.000 1.260 87 F HN 0.615 nan 8.300 nan 0.000 0.465 88 A N 1.593 124.251 122.820 -0.269 0.000 1.975 88 A HA 0.180 4.499 4.320 -0.000 0.000 0.215 88 A C 0.240 177.559 177.584 -0.441 0.000 1.170 88 A CA 0.945 52.841 52.037 -0.235 0.000 0.656 88 A CB -0.555 18.352 19.000 -0.156 0.000 0.821 88 A HN 0.859 nan 8.150 nan 0.000 0.449 89 N N -3.298 115.128 118.700 -0.456 0.000 3.046 89 N HA 0.244 4.984 4.740 -0.000 0.000 0.243 89 N C -2.997 172.168 175.510 -0.575 0.000 1.452 89 N CA -1.546 51.003 53.050 -0.836 0.000 0.882 89 N CB 0.855 38.843 38.487 -0.832 0.000 1.425 89 N HN -0.319 nan 8.380 nan 0.000 0.517 90 P HA -0.110 nan 4.420 nan 0.000 0.218 90 P C 0.612 177.602 177.300 -0.517 0.000 1.148 90 P CA 1.406 64.032 63.100 -0.789 0.000 0.822 90 P CB 0.170 30.862 31.700 -1.680 0.000 0.784 91 E N -0.293 119.652 120.200 -0.425 0.000 2.110 91 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 91 E C 2.138 178.631 176.600 -0.180 0.000 0.988 91 E CA 1.531 57.809 56.400 -0.202 0.000 0.804 91 E CB -1.006 28.626 29.700 -0.114 0.000 0.745 91 E HN 0.162 nan 8.360 nan 0.000 0.458 92 A N 0.370 123.071 122.820 -0.198 0.000 1.969 92 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 92 A C 2.401 179.881 177.584 -0.174 0.000 1.169 92 A CA 1.152 53.131 52.037 -0.098 0.000 0.635 92 A CB -0.516 18.477 19.000 -0.012 0.000 0.810 92 A HN 0.142 nan 8.150 nan 0.000 0.445 93 V N 0.089 119.704 119.914 -0.499 0.000 2.270 93 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 93 V C 2.753 178.608 176.094 -0.398 0.000 1.043 93 V CA 2.330 64.135 62.300 -0.824 0.000 1.014 93 V CB -1.098 30.226 31.823 -0.831 0.000 0.645 93 V HN 0.564 nan 8.190 nan 0.000 0.447 94 S N 0.102 115.631 115.700 -0.285 0.000 2.374 94 S HA -0.319 4.151 4.470 -0.000 0.000 0.227 94 S C 1.798 176.316 174.600 -0.136 0.000 1.037 94 S CA 2.088 60.172 58.200 -0.194 0.000 1.024 94 S CB -0.524 62.603 63.200 -0.121 0.000 0.861 94 S HN 0.770 nan 8.310 nan 0.000 0.456 95 D N 1.205 121.543 120.400 -0.103 0.000 2.183 95 D HA 0.055 4.695 4.640 -0.000 0.000 0.203 95 D C 1.848 178.140 176.300 -0.014 0.000 0.969 95 D CA 0.960 54.932 54.000 -0.047 0.000 0.842 95 D CB -0.257 40.525 40.800 -0.030 0.000 0.957 95 D HN 0.357 nan 8.370 nan 0.000 0.484 96 A N -0.086 122.735 122.820 0.002 0.000 2.119 96 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 96 A C 2.142 179.769 177.584 0.071 0.000 1.153 96 A CA 0.388 52.472 52.037 0.080 0.000 0.692 96 A CB -0.588 18.554 19.000 0.238 0.000 0.799 96 A HN 0.355 nan 8.150 nan 0.000 0.458 97 L N -1.187 120.034 121.223 -0.003 0.000 2.275 97 L HA 0.087 4.426 4.340 -0.000 0.000 0.215 97 L C 1.490 178.509 176.870 0.248 0.000 1.119 97 L CA 0.631 55.492 54.840 0.036 0.000 0.790 97 L CB -1.014 40.865 42.059 -0.300 0.000 0.919 97 L HN 0.647 nan 8.230 nan 0.000 0.443 98 G N -0.404 108.477 108.800 0.134 0.000 2.685 98 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.387 98 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.387 98 G C 0.178 175.087 174.900 0.015 0.000 1.324 98 G CA -0.186 44.959 45.100 0.074 0.000 0.878 98 G HN 0.221 nan 8.290 nan 0.000 0.527 99 S N -0.909 114.685 115.700 -0.177 0.000 2.561 99 S HA 0.470 4.940 4.470 -0.000 0.000 0.245 99 S C 0.504 175.025 174.600 -0.131 0.000 1.001 99 S CA -0.196 57.934 58.200 -0.115 0.000 1.002 99 S CB -0.139 62.997 63.200 -0.107 0.000 0.805 99 S HN 0.768 nan 8.310 nan 0.000 0.458 100 Y N 2.491 122.841 120.300 0.083 0.000 2.986 100 Y HA 0.001 4.552 4.550 0.000 0.000 0.342 100 Y C 1.333 177.283 175.900 0.084 0.000 1.275 100 Y CA 0.066 58.226 58.100 0.101 0.000 1.527 100 Y CB 0.347 38.918 38.460 0.185 0.000 1.296 100 Y HN 0.189 nan 8.280 nan 0.000 0.628 101 R N 1.236 121.865 120.500 0.215 0.000 2.486 101 R HA 0.474 4.814 4.340 -0.000 0.000 0.286 101 R C 0.795 177.175 176.300 0.133 0.000 0.999 101 R CA 0.132 56.310 56.100 0.131 0.000 0.993 101 R CB 1.198 31.550 30.300 0.087 0.000 1.084 101 R HN 0.959 nan 8.270 nan 0.000 0.487 102 G N 2.019 110.880 108.800 0.102 0.000 2.574 102 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.282 102 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.282 102 G C -0.324 174.644 174.900 0.112 0.000 1.257 102 G CA 0.387 45.543 45.100 0.094 0.000 0.956 102 G HN 0.899 nan 8.290 nan 0.000 0.560 103 N N -0.934 117.825 118.700 0.098 0.000 2.740 103 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 103 N C 1.413 176.991 175.510 0.113 0.000 1.062 103 N CA 1.155 54.271 53.050 0.111 0.000 0.704 103 N CB -0.218 38.359 38.487 0.151 0.000 0.968 103 N HN 0.613 nan 8.380 nan 0.000 0.547 104 R N 0.056 120.600 120.500 0.074 0.000 2.081 104 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 104 R C 1.828 178.147 176.300 0.031 0.000 1.131 104 R CA 1.567 57.695 56.100 0.046 0.000 0.960 104 R CB -0.272 30.052 30.300 0.039 0.000 0.856 104 R HN 0.561 nan 8.270 nan 0.000 0.436 105 M N -0.262 119.362 119.600 0.039 0.000 2.175 105 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 105 M C 2.444 178.762 176.300 0.031 0.000 1.063 105 M CA 1.581 56.894 55.300 0.023 0.000 1.119 105 M CB -0.355 32.261 32.600 0.027 0.000 1.377 105 M HN 0.125 nan 8.290 nan 0.000 0.415 106 A N 0.874 123.741 122.820 0.078 0.000 1.877 106 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 106 A C 2.162 179.841 177.584 0.159 0.000 1.186 106 A CA 1.575 53.699 52.037 0.144 0.000 0.620 106 A CB -0.641 18.484 19.000 0.209 0.000 0.822 106 A HN 0.426 nan 8.150 nan 0.000 0.443 107 R N -0.510 120.037 120.500 0.079 0.000 2.091 107 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 107 R C 2.431 178.657 176.300 -0.122 0.000 1.136 107 R CA 1.249 57.236 56.100 -0.188 0.000 0.959 107 R CB -0.548 29.629 30.300 -0.205 0.000 0.856 107 R HN 0.518 nan 8.270 nan 0.000 0.437 108 A N 1.088 123.871 122.820 -0.062 0.000 1.978 108 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 108 A C 2.162 179.698 177.584 -0.080 0.000 1.170 108 A CA 1.374 53.366 52.037 -0.074 0.000 0.636 108 A CB -0.415 18.536 19.000 -0.082 0.000 0.810 108 A HN 0.211 nan 8.150 nan 0.000 0.448 109 M N -0.754 118.815 119.600 -0.051 0.000 2.117 109 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 109 M C 2.093 178.374 176.300 -0.031 0.000 1.065 109 M CA 1.576 56.850 55.300 -0.043 0.000 1.114 109 M CB -0.494 32.103 32.600 -0.005 0.000 1.361 109 M HN 0.282 nan 8.290 nan 0.000 0.408 110 V N -0.097 119.796 119.914 -0.035 0.000 2.244 110 V HA -0.237 3.883 4.120 -0.000 0.000 0.244 110 V C 2.374 178.432 176.094 -0.059 0.000 1.042 110 V CA 1.912 64.179 62.300 -0.055 0.000 1.006 110 V CB -0.922 30.830 31.823 -0.117 0.000 0.641 110 V HN 0.475 nan 8.190 nan 0.000 0.446 111 E N -0.026 120.133 120.200 -0.069 0.000 2.070 111 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 111 E C 2.184 178.887 176.600 0.172 0.000 1.004 111 E CA 2.061 58.462 56.400 0.003 0.000 0.805 111 E CB -0.152 29.565 29.700 0.029 0.000 0.744 111 E HN 0.581 nan 8.360 nan 0.000 0.451 112 M N -0.398 119.278 119.600 0.127 0.000 2.236 112 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 112 M C 2.417 178.885 176.300 0.280 0.000 1.070 112 M CA 1.156 56.589 55.300 0.222 0.000 1.137 112 M CB -0.136 32.333 32.600 -0.218 0.000 1.378 112 M HN 0.088 nan 8.290 nan 0.000 0.426 113 A N 0.746 123.636 122.820 0.117 0.000 1.908 113 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 113 A C 2.373 180.015 177.584 0.097 0.000 1.181 113 A CA 2.123 54.226 52.037 0.110 0.000 0.627 113 A CB -1.007 18.016 19.000 0.039 0.000 0.818 113 A HN 0.495 nan 8.150 nan 0.000 0.445 114 A N -1.627 121.225 122.820 0.054 0.000 1.902 114 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 114 A C 1.996 179.558 177.584 -0.037 0.000 1.181 114 A CA 1.362 53.377 52.037 -0.037 0.000 0.623 114 A CB -0.923 18.007 19.000 -0.118 0.000 0.818 114 A HN 0.749 nan 8.150 nan 0.000 0.443 115 W N 0.005 121.352 121.300 0.078 0.000 2.335 115 W HA -0.191 4.469 4.660 -0.000 0.000 0.311 115 W C 2.122 178.672 176.519 0.052 0.000 1.213 115 W CA 1.411 58.832 57.345 0.127 0.000 1.274 115 W CB -0.206 29.359 29.460 0.174 0.000 1.148 115 W HN 0.466 nan 8.180 nan 0.000 0.498 116 D N 0.104 120.677 120.400 0.289 0.000 2.104 116 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 116 D C 2.015 178.310 176.300 -0.009 0.000 0.994 116 D CA 1.582 55.627 54.000 0.076 0.000 0.830 116 D CB -0.537 40.313 40.800 0.084 0.000 0.959 116 D HN 0.023 nan 8.370 nan 0.000 0.452 117 L N 0.619 121.827 121.223 -0.025 0.000 1.994 117 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 117 L C 2.253 179.011 176.870 -0.186 0.000 1.071 117 L CA 1.945 56.718 54.840 -0.111 0.000 0.745 117 L CB -1.134 40.848 42.059 -0.129 0.000 0.892 117 L HN 0.414 nan 8.230 nan 0.000 0.431 118 W N 0.483 121.483 121.300 -0.499 0.000 2.338 118 W HA -0.260 4.400 4.660 0.000 0.000 0.304 118 W C 2.041 178.418 176.519 -0.236 0.000 1.212 118 W CA 1.778 58.780 57.345 -0.573 0.000 1.264 118 W CB -0.270 28.797 29.460 -0.655 0.000 1.142 118 W HN 0.369 nan 8.180 nan 0.000 0.512 119 A N 1.377 124.047 122.820 -0.249 0.000 1.933 119 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 119 A C 2.030 179.439 177.584 -0.292 0.000 1.175 119 A CA 1.788 53.631 52.037 -0.323 0.000 0.628 119 A CB -0.851 18.071 19.000 -0.130 0.000 0.814 119 A HN 0.422 nan 8.150 nan 0.000 0.444 120 R N -0.610 119.766 120.500 -0.207 0.000 2.115 120 R HA -0.075 4.265 4.340 -0.000 0.000 0.226 120 R C 2.422 178.624 176.300 -0.163 0.000 1.100 120 R CA 1.656 57.661 56.100 -0.159 0.000 0.980 120 R CB -0.588 29.646 30.300 -0.109 0.000 0.875 120 R HN 0.764 nan 8.270 nan 0.000 0.445 121 T N -0.815 113.619 114.554 -0.200 0.000 2.867 121 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 121 T C 1.819 176.392 174.700 -0.211 0.000 1.057 121 T CA 0.895 62.901 62.100 -0.157 0.000 1.136 121 T CB -0.118 68.694 68.868 -0.092 0.000 0.874 121 T HN 0.138 nan 8.240 nan 0.000 0.466 122 L N 0.435 121.442 121.223 -0.360 0.000 2.446 122 L HA 0.316 4.656 4.340 -0.000 0.000 0.219 122 L C 2.149 178.893 176.870 -0.210 0.000 1.116 122 L CA 0.559 55.196 54.840 -0.339 0.000 0.844 122 L CB -0.784 40.952 42.059 -0.538 0.000 0.970 122 L HN 0.612 nan 8.230 nan 0.000 0.457 123 G N 0.892 109.582 108.800 -0.183 0.000 2.176 123 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 123 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 123 G C -0.026 174.804 174.900 -0.117 0.000 1.024 123 G CA 0.190 45.215 45.100 -0.124 0.000 0.755 123 G HN 0.146 nan 8.290 nan 0.000 0.507 124 V N 0.442 120.266 119.914 -0.150 0.000 2.581 124 V HA 0.563 4.683 4.120 -0.000 0.000 0.303 124 V C -1.849 174.182 176.094 -0.104 0.000 1.041 124 V CA -2.006 60.225 62.300 -0.114 0.000 0.907 124 V CB 2.152 33.899 31.823 -0.126 0.000 0.994 124 V HN 0.064 nan 8.190 nan 0.000 0.442 125 P HA 0.033 nan 4.420 nan 0.000 0.266 125 P C 0.592 177.845 177.300 -0.077 0.000 1.195 125 P CA -0.076 63.010 63.100 -0.023 0.000 0.768 125 P CB 0.582 32.338 31.700 0.093 0.000 0.838 126 L N 4.324 125.389 121.223 -0.263 0.000 2.046 126 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 126 L C 2.132 178.903 176.870 -0.166 0.000 1.077 126 L CA 2.611 57.281 54.840 -0.285 0.000 0.747 126 L CB -1.643 40.089 42.059 -0.545 0.000 0.896 126 L HN 0.477 nan 8.230 nan 0.000 0.432 127 G N -1.749 107.115 108.800 0.108 0.000 2.432 127 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 127 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 127 G C 1.398 176.286 174.900 -0.020 0.000 1.135 127 G CA 1.111 46.229 45.100 0.029 0.000 0.767 127 G HN 0.467 nan 8.290 nan 0.000 0.550 128 T N 1.221 115.788 114.554 0.021 0.000 2.746 128 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 128 T C 2.341 177.051 174.700 0.018 0.000 1.039 128 T CA 0.635 62.748 62.100 0.021 0.000 1.142 128 T CB -0.155 68.725 68.868 0.021 0.000 0.866 128 T HN 0.151 nan 8.240 nan 0.000 0.444 129 L N 0.310 121.538 121.223 0.009 0.000 2.201 129 L HA 0.070 4.410 4.340 -0.000 0.000 0.212 129 L C 2.035 178.933 176.870 0.046 0.000 1.105 129 L CA 0.888 55.774 54.840 0.077 0.000 0.775 129 L CB -0.286 41.876 42.059 0.171 0.000 0.913 129 L HN 0.278 nan 8.230 nan 0.000 0.440 130 L N -1.194 119.971 121.223 -0.098 0.000 2.567 130 L HA 0.163 4.503 4.340 -0.000 0.000 0.225 130 L C 1.425 178.251 176.870 -0.074 0.000 1.119 130 L CA 0.659 55.396 54.840 -0.171 0.000 0.871 130 L CB -0.047 41.806 42.059 -0.342 0.000 1.036 130 L HN 0.450 nan 8.230 nan 0.000 0.459 131 G N -0.285 108.505 108.800 -0.016 0.000 2.179 131 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.220 131 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.220 131 G C 0.510 175.440 174.900 0.049 0.000 0.990 131 G CA -0.305 44.819 45.100 0.039 0.000 0.646 131 G HN 0.466 nan 8.290 nan 0.000 0.517 132 G N -0.522 108.264 108.800 -0.024 0.000 2.476 132 G HA2 0.607 4.567 3.960 -0.000 0.000 0.269 132 G HA3 0.607 4.567 3.960 -0.000 0.000 0.269 132 G C 0.182 175.078 174.900 -0.006 0.000 1.195 132 G CA 0.276 45.325 45.100 -0.084 0.000 0.843 132 G HN 1.236 nan 8.290 nan 0.000 0.545 133 H N -1.735 117.328 119.070 -0.011 0.000 3.182 133 H HA 0.336 4.892 4.556 -0.000 0.000 0.254 133 H C 0.305 175.623 175.328 -0.018 0.000 1.197 133 H CA -0.642 55.398 56.048 -0.013 0.000 1.061 133 H CB -0.014 29.748 29.762 0.000 0.000 1.722 133 H HN 0.316 nan 8.280 nan 0.000 0.662 134 K N 1.269 121.590 120.400 -0.132 0.000 2.401 134 K HA 0.059 4.379 4.320 -0.000 0.000 0.278 134 K C 0.137 176.701 176.600 -0.060 0.000 1.018 134 K CA 0.101 56.344 56.287 -0.074 0.000 0.981 134 K CB 1.088 33.532 32.500 -0.093 0.000 0.933 134 K HN 0.404 nan 8.250 nan 0.000 0.477 135 E N 1.550 121.729 120.200 -0.035 0.000 2.474 135 E HA -0.065 4.284 4.350 -0.000 0.000 0.194 135 E C -0.199 176.363 176.600 -0.064 0.000 1.041 135 E CA 0.200 56.571 56.400 -0.049 0.000 0.874 135 E CB 0.396 30.082 29.700 -0.023 0.000 0.914 135 E HN 0.500 nan 8.360 nan 0.000 0.498 136 Q N -0.569 119.196 119.800 -0.057 0.000 2.522 136 Q HA 0.485 4.825 4.340 -0.000 0.000 0.285 136 Q C -1.091 174.883 176.000 -0.042 0.000 0.982 136 Q CA -1.051 54.721 55.803 -0.053 0.000 0.805 136 Q CB 1.771 30.489 28.738 -0.033 0.000 1.457 136 Q HN -0.028 nan 8.270 nan 0.000 0.394 137 V N -2.279 117.616 119.914 -0.032 0.000 2.789 137 V HA 0.583 4.703 4.120 -0.000 0.000 0.311 137 V C -0.640 175.468 176.094 0.024 0.000 1.073 137 V CA -0.865 61.429 62.300 -0.009 0.000 0.921 137 V CB 1.794 33.595 31.823 -0.038 0.000 1.009 137 V HN 0.875 nan 8.190 nan 0.000 0.426 138 E N 2.406 122.635 120.200 0.049 0.000 2.338 138 E HA 0.562 4.912 4.350 -0.000 0.000 0.272 138 E C -0.391 176.264 176.600 0.091 0.000 1.029 138 E CA -0.390 56.045 56.400 0.059 0.000 0.872 138 E CB 1.905 31.641 29.700 0.060 0.000 1.015 138 E HN 0.951 nan 8.360 nan 0.000 0.417 139 V N -0.647 119.331 119.914 0.108 0.000 3.007 139 V HA 0.886 5.006 4.120 -0.000 0.000 0.311 139 V C 0.076 176.293 176.094 0.206 0.000 1.120 139 V CA -0.706 61.689 62.300 0.157 0.000 0.980 139 V CB 1.743 33.684 31.823 0.198 0.000 1.033 139 V HN 0.717 nan 8.190 nan 0.000 0.429 140 G N 0.310 109.171 108.800 0.101 0.000 3.217 140 G HA2 0.768 4.728 3.960 -0.000 0.000 0.213 140 G HA3 0.768 4.728 3.960 -0.000 0.000 0.213 140 G C -1.233 173.515 174.900 -0.253 0.000 1.294 140 G CA -0.624 44.475 45.100 -0.002 0.000 0.987 140 G HN 1.483 nan 8.290 nan 0.000 0.584 141 V N 0.033 119.706 119.914 -0.401 0.000 2.851 141 V HA 0.659 4.779 4.120 -0.000 0.000 0.307 141 V C -0.604 175.258 176.094 -0.386 0.000 1.129 141 V CA -0.361 61.597 62.300 -0.569 0.000 0.932 141 V CB 2.117 33.321 31.823 -1.031 0.000 1.024 141 V HN 1.287 nan 8.190 nan 0.000 0.426 142 S N 7.348 122.883 115.700 -0.275 0.000 2.437 142 S HA 0.792 5.262 4.470 -0.000 0.000 0.305 142 S C -0.938 173.560 174.600 -0.171 0.000 1.109 142 S CA -0.680 57.438 58.200 -0.137 0.000 1.099 142 S CB 1.149 64.393 63.200 0.073 0.000 1.004 142 S HN 0.668 nan 8.310 nan 0.000 0.475 143 L N 3.532 124.646 121.223 -0.183 0.000 2.322 143 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 143 L C 1.198 178.012 176.870 -0.093 0.000 1.014 143 L CA -0.983 53.737 54.840 -0.200 0.000 0.815 143 L CB 1.484 43.369 42.059 -0.291 0.000 1.247 143 L HN 0.943 nan 8.230 nan 0.000 0.421 144 G N 3.012 111.785 108.800 -0.045 0.000 2.529 144 G HA2 0.291 4.251 3.960 -0.000 0.000 0.277 144 G HA3 0.291 4.251 3.960 -0.000 0.000 0.277 144 G C 0.213 175.017 174.900 -0.160 0.000 1.383 144 G CA -0.723 44.237 45.100 -0.233 0.000 1.050 144 G HN 0.386 nan 8.290 nan 0.000 0.526 145 I N 0.302 120.777 120.570 -0.159 0.000 2.638 145 I HA 0.208 4.378 4.170 -0.000 0.000 0.286 145 I C 0.251 176.376 176.117 0.013 0.000 1.088 145 I CA 0.051 61.324 61.300 -0.046 0.000 1.397 145 I CB 1.173 39.174 38.000 0.001 0.000 1.414 145 I HN 0.546 nan 8.210 nan 0.000 0.566 146 Q N 3.949 123.790 119.800 0.068 0.000 3.164 146 Q HA 0.650 4.990 4.340 -0.000 0.000 0.347 146 Q C 0.499 176.579 176.000 0.133 0.000 0.880 146 Q CA -0.457 55.382 55.803 0.060 0.000 0.809 146 Q CB 0.312 29.044 28.738 -0.010 0.000 2.267 146 Q HN 0.588 nan 8.270 nan 0.000 0.363 147 A N -0.039 122.844 122.820 0.105 0.000 1.972 147 A HA 0.379 4.699 4.320 -0.000 0.000 0.219 147 A C -0.065 177.645 177.584 0.211 0.000 1.467 147 A CA 1.621 53.736 52.037 0.129 0.000 0.631 147 A CB -0.148 18.896 19.000 0.072 0.000 1.143 147 A HN 0.728 nan 8.150 nan 0.000 0.502 148 D N -3.119 117.360 120.400 0.132 0.000 2.809 148 D HA 0.034 4.674 4.640 -0.000 0.000 0.336 148 D C 0.391 176.684 176.300 -0.010 0.000 1.367 148 D CA 0.180 54.280 54.000 0.167 0.000 0.815 148 D CB 0.223 41.143 40.800 0.199 0.000 1.381 148 D HN 0.125 nan 8.370 nan 0.000 0.471 149 E N -0.223 119.968 120.200 -0.015 0.000 2.055 149 E HA -0.359 3.991 4.350 -0.000 0.000 0.209 149 E C 1.624 178.182 176.600 -0.070 0.000 1.036 149 E CA 2.820 59.165 56.400 -0.092 0.000 0.849 149 E CB 0.016 29.693 29.700 -0.039 0.000 0.767 149 E HN 0.370 nan 8.360 nan 0.000 0.461 150 Q N -0.438 119.345 119.800 -0.027 0.000 2.302 150 Q HA 0.163 4.503 4.340 -0.000 0.000 0.202 150 Q C 1.237 177.232 176.000 -0.007 0.000 0.936 150 Q CA 1.231 57.020 55.803 -0.024 0.000 0.886 150 Q CB 0.077 28.804 28.738 -0.019 0.000 0.986 150 Q HN 0.312 nan 8.270 nan 0.000 0.487 151 A N -0.896 121.927 122.820 0.005 0.000 2.370 151 A HA 0.174 4.493 4.320 -0.000 0.000 0.238 151 A C 1.357 178.948 177.584 0.012 0.000 1.289 151 A CA 0.509 52.556 52.037 0.016 0.000 0.885 151 A CB -0.175 18.842 19.000 0.028 0.000 0.961 151 A HN 0.286 nan 8.150 nan 0.000 0.499 152 T N -1.461 113.086 114.554 -0.012 0.000 2.990 152 T HA 0.056 4.405 4.350 -0.000 0.000 0.250 152 T C 1.607 176.301 174.700 -0.010 0.000 1.041 152 T CA 0.867 62.947 62.100 -0.032 0.000 1.010 152 T CB 0.022 68.831 68.868 -0.099 0.000 1.003 152 T HN 0.125 nan 8.240 nan 0.000 0.499 153 V N 2.051 121.980 119.914 0.026 0.000 2.720 153 V HA -0.140 3.980 4.120 -0.000 0.000 0.256 153 V C 2.148 178.326 176.094 0.140 0.000 1.082 153 V CA 1.495 63.871 62.300 0.126 0.000 1.101 153 V CB -0.506 31.395 31.823 0.130 0.000 0.693 153 V HN 0.421 nan 8.190 nan 0.000 0.479 154 D N 0.180 120.623 120.400 0.072 0.000 2.087 154 D HA -0.175 4.464 4.640 -0.000 0.000 0.192 154 D C 1.950 178.277 176.300 0.045 0.000 0.993 154 D CA 1.269 55.304 54.000 0.058 0.000 0.828 154 D CB -0.392 40.427 40.800 0.032 0.000 0.968 154 D HN 0.348 nan 8.370 nan 0.000 0.448 155 L N 0.364 121.607 121.223 0.033 0.000 2.131 155 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 155 L C 2.160 179.095 176.870 0.109 0.000 1.092 155 L CA 1.111 55.983 54.840 0.054 0.000 0.759 155 L CB -0.235 41.834 42.059 0.017 0.000 0.903 155 L HN -0.102 nan 8.230 nan 0.000 0.435 156 V N -0.220 119.701 119.914 0.012 0.000 2.229 156 V HA -0.301 3.819 4.120 -0.000 0.000 0.243 156 V C 2.676 178.646 176.094 -0.206 0.000 1.042 156 V CA 1.961 64.201 62.300 -0.100 0.000 1.000 156 V CB -0.643 31.095 31.823 -0.142 0.000 0.637 156 V HN 0.574 nan 8.190 nan 0.000 0.446 157 R N 1.306 121.730 120.500 -0.126 0.000 2.191 157 R HA -0.315 4.024 4.340 -0.000 0.000 0.248 157 R C 2.393 178.654 176.300 -0.064 0.000 1.127 157 R CA 2.905 59.008 56.100 0.005 0.000 0.943 157 R CB -0.572 29.922 30.300 0.325 0.000 0.891 157 R HN 0.669 nan 8.270 nan 0.000 0.439 158 R N -1.730 118.732 120.500 -0.063 0.000 2.237 158 R HA -0.101 4.239 4.340 -0.000 0.000 0.219 158 R C 1.518 177.660 176.300 -0.263 0.000 1.080 158 R CA 1.912 57.919 56.100 -0.154 0.000 0.995 158 R CB -0.452 29.730 30.300 -0.198 0.000 0.875 158 R HN 0.501 nan 8.270 nan 0.000 0.462 159 H N 0.051 119.066 119.070 -0.090 0.000 2.431 159 H HA 0.124 4.679 4.556 -0.000 0.000 0.295 159 H C 1.987 177.303 175.328 -0.021 0.000 1.038 159 H CA 1.031 57.070 56.048 -0.016 0.000 1.360 159 H CB 0.431 30.131 29.762 -0.103 0.000 1.433 159 H HN -0.081 nan 8.280 nan 0.000 0.536 160 V N 1.115 120.973 119.914 -0.093 0.000 2.490 160 V HA -0.209 3.910 4.120 -0.000 0.000 0.250 160 V C 1.693 177.744 176.094 -0.072 0.000 1.061 160 V CA 1.837 64.045 62.300 -0.154 0.000 1.064 160 V CB -0.317 31.251 31.823 -0.425 0.000 0.670 160 V HN 0.529 nan 8.190 nan 0.000 0.461 161 E N -0.178 119.985 120.200 -0.062 0.000 2.274 161 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 161 E C 1.986 178.546 176.600 -0.066 0.000 0.996 161 E CA 0.606 56.981 56.400 -0.041 0.000 0.840 161 E CB -0.088 29.593 29.700 -0.030 0.000 0.772 161 E HN 0.581 nan 8.360 nan 0.000 0.491 162 Q N -0.475 119.278 119.800 -0.079 0.000 2.425 162 Q HA 0.055 4.395 4.340 -0.000 0.000 0.204 162 Q C 1.279 177.143 176.000 -0.227 0.000 0.933 162 Q CA 0.786 56.499 55.803 -0.149 0.000 0.939 162 Q CB 0.888 29.531 28.738 -0.159 0.000 1.044 162 Q HN 0.420 nan 8.270 nan 0.000 0.513 163 G N 0.451 109.167 108.800 -0.140 0.000 2.132 163 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.234 163 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.234 163 G C -0.279 174.543 174.900 -0.131 0.000 0.989 163 G CA -0.278 44.743 45.100 -0.132 0.000 0.676 163 G HN 0.360 nan 8.290 nan 0.000 0.522 164 Y N 0.091 120.366 120.300 -0.043 0.000 2.610 164 Y HA 0.247 4.796 4.550 -0.000 0.000 0.332 164 Y C 2.069 177.931 175.900 -0.064 0.000 1.201 164 Y CA 0.356 58.429 58.100 -0.044 0.000 1.465 164 Y CB 0.482 38.918 38.460 -0.040 0.000 1.283 164 Y HN 0.139 nan 8.280 nan 0.000 0.563 165 R N 1.409 121.984 120.500 0.125 0.000 2.276 165 R HA 0.078 4.417 4.340 -0.000 0.000 0.196 165 R C 0.356 176.647 176.300 -0.015 0.000 0.961 165 R CA 0.370 56.490 56.100 0.033 0.000 1.024 165 R CB 0.317 30.633 30.300 0.026 0.000 0.940 165 R HN 0.400 nan 8.270 nan 0.000 0.480 166 R N 0.903 121.380 120.500 -0.038 0.000 2.651 166 R HA 0.290 4.630 4.340 -0.000 0.000 0.278 166 R C -1.598 174.607 176.300 -0.157 0.000 1.010 166 R CA -0.554 55.470 56.100 -0.127 0.000 0.896 166 R CB 1.440 31.622 30.300 -0.197 0.000 1.211 166 R HN -0.065 nan 8.270 nan 0.000 0.456 167 I N 3.599 124.056 120.570 -0.188 0.000 2.378 167 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 167 I C -0.083 175.898 176.117 -0.226 0.000 0.992 167 I CA -0.683 60.487 61.300 -0.217 0.000 1.154 167 I CB 1.548 39.421 38.000 -0.211 0.000 1.315 167 I HN 0.476 nan 8.210 nan 0.000 0.448 168 K N 7.665 127.930 120.400 -0.225 0.000 2.358 168 K HA 0.617 4.937 4.320 -0.000 0.000 0.260 168 K C -1.566 174.948 176.600 -0.144 0.000 0.956 168 K CA -0.549 55.635 56.287 -0.171 0.000 0.834 168 K CB 1.377 33.798 32.500 -0.132 0.000 1.102 168 K HN 0.577 nan 8.250 nan 0.000 0.431 169 L N 5.087 126.238 121.223 -0.119 0.000 2.265 169 L HA 0.367 4.707 4.340 -0.000 0.000 0.289 169 L C 0.129 176.953 176.870 -0.077 0.000 1.033 169 L CA -1.065 53.703 54.840 -0.118 0.000 0.814 169 L CB 1.203 43.178 42.059 -0.139 0.000 1.203 169 L HN 0.482 nan 8.230 nan 0.000 0.423 170 K N 5.285 125.631 120.400 -0.090 0.000 2.451 170 K HA 0.350 4.670 4.320 -0.000 0.000 0.280 170 K C -0.162 176.392 176.600 -0.077 0.000 1.020 170 K CA 0.191 56.422 56.287 -0.093 0.000 1.008 170 K CB 1.269 33.646 32.500 -0.204 0.000 0.917 170 K HN 0.640 nan 8.250 nan 0.000 0.478 171 I N -1.885 118.668 120.570 -0.029 0.000 3.343 171 I HA 0.634 4.804 4.170 -0.000 0.000 0.315 171 I C -0.948 175.189 176.117 0.035 0.000 1.153 171 I CA -1.034 60.284 61.300 0.029 0.000 0.952 171 I CB 2.620 40.668 38.000 0.080 0.000 1.287 171 I HN 0.466 nan 8.210 nan 0.000 0.472 172 K N 1.580 122.062 120.400 0.136 0.000 2.625 172 K HA 0.473 4.793 4.320 -0.000 0.000 0.284 172 K C -3.059 173.716 176.600 0.292 0.000 0.984 172 K CA -1.313 55.026 56.287 0.085 0.000 0.865 172 K CB 2.427 34.967 32.500 0.066 0.000 1.468 172 K HN 0.350 nan 8.250 nan 0.000 0.407 173 P HA 0.044 nan 4.420 nan 0.000 0.260 173 P C 0.226 177.674 177.300 0.246 0.000 1.185 173 P CA 1.581 64.950 63.100 0.448 0.000 0.763 173 P CB 0.448 32.338 31.700 0.317 0.000 0.776 174 G N 1.707 110.644 108.800 0.227 0.000 2.175 174 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 174 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 174 G C -0.299 174.768 174.900 0.278 0.000 0.982 174 G CA -0.497 44.694 45.100 0.152 0.000 0.641 174 G HN 0.567 nan 8.290 nan 0.000 0.527 175 W N 0.691 122.032 121.300 0.068 0.000 2.330 175 W HA 0.485 5.145 4.660 -0.000 0.000 0.286 175 W C -0.420 176.133 176.519 0.056 0.000 1.019 175 W CA -0.675 56.694 57.345 0.040 0.000 1.485 175 W CB 0.988 30.459 29.460 0.019 0.000 1.457 175 W HN 0.116 nan 8.180 nan 0.000 0.359 176 D N -0.025 120.513 120.400 0.229 0.000 3.040 176 D HA 0.015 4.655 4.640 -0.000 0.000 0.221 176 D C 1.906 178.183 176.300 -0.038 0.000 1.515 176 D CA 0.393 54.451 54.000 0.097 0.000 1.379 176 D CB -0.053 40.809 40.800 0.102 0.000 0.992 176 D HN -0.024 nan 8.370 nan 0.000 0.234 177 V N 0.996 120.906 119.914 -0.007 0.000 2.809 177 V HA -0.119 4.001 4.120 -0.000 0.000 0.256 177 V C 2.025 177.996 176.094 -0.205 0.000 1.080 177 V CA 1.327 63.592 62.300 -0.060 0.000 1.102 177 V CB -0.457 31.422 31.823 0.094 0.000 0.705 177 V HN 0.093 nan 8.190 nan 0.000 0.475 178 Q N 0.574 120.259 119.800 -0.191 0.000 1.967 178 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 178 Q C 0.097 175.792 176.000 -0.509 0.000 0.985 178 Q CA 2.311 57.927 55.803 -0.311 0.000 0.839 178 Q CB -1.514 27.078 28.738 -0.243 0.000 0.906 178 Q HN 0.503 nan 8.270 nan 0.000 0.423 179 P HA -0.121 nan 4.420 nan 0.000 0.219 179 P C 0.996 178.064 177.300 -0.387 0.000 1.146 179 P CA 1.131 63.875 63.100 -0.593 0.000 0.808 179 P CB 0.098 31.382 31.700 -0.693 0.000 0.779 180 V N 0.103 119.787 119.914 -0.384 0.000 2.488 180 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 180 V C 2.849 178.622 176.094 -0.535 0.000 1.046 180 V CA 1.211 63.282 62.300 -0.381 0.000 1.053 180 V CB -0.903 30.719 31.823 -0.335 0.000 0.679 180 V HN 0.044 nan 8.190 nan 0.000 0.458 181 R N 0.215 120.332 120.500 -0.639 0.000 2.115 181 R HA -0.038 4.301 4.340 -0.000 0.000 0.226 181 R C 2.211 178.336 176.300 -0.292 0.000 1.100 181 R CA 1.452 57.169 56.100 -0.638 0.000 0.980 181 R CB -0.299 29.735 30.300 -0.443 0.000 0.875 181 R HN 0.496 nan 8.270 nan 0.000 0.445 182 A N 0.109 122.787 122.820 -0.237 0.000 1.929 182 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 182 A C 1.685 179.211 177.584 -0.097 0.000 1.176 182 A CA 1.346 53.296 52.037 -0.144 0.000 0.628 182 A CB -0.430 18.485 19.000 -0.140 0.000 0.816 182 A HN 0.324 nan 8.150 nan 0.000 0.444 183 T N -1.274 113.220 114.554 -0.099 0.000 5.978 183 T HA 0.114 4.464 4.350 -0.000 0.000 0.355 183 T C 1.448 176.144 174.700 -0.007 0.000 0.861 183 T CA 0.975 63.079 62.100 0.007 0.000 1.159 183 T CB -0.224 68.623 68.868 -0.035 0.000 1.192 183 T HN 0.559 nan 8.240 nan 0.000 0.306 184 R N 0.928 121.431 120.500 0.004 0.000 2.355 184 R HA -0.280 4.059 4.340 -0.000 0.000 0.086 184 R C 1.502 177.821 176.300 0.032 0.000 0.762 184 R CA 2.652 58.762 56.100 0.017 0.000 0.375 184 R CB -1.405 28.881 30.300 -0.022 0.000 0.585 184 R HN 0.578 nan 8.270 nan 0.000 0.254 185 E N -1.221 118.973 120.200 -0.009 0.000 2.415 185 E HA 0.267 4.617 4.350 -0.000 0.000 0.197 185 E C 1.668 178.211 176.600 -0.095 0.000 1.007 185 E CA 0.804 57.189 56.400 -0.025 0.000 0.890 185 E CB 0.236 29.930 29.700 -0.009 0.000 0.891 185 E HN 0.556 nan 8.360 nan 0.000 0.496 186 A N 0.362 123.100 122.820 -0.137 0.000 1.929 186 A HA -0.011 4.308 4.320 -0.000 0.000 0.216 186 A C 0.623 177.811 177.584 -0.659 0.000 1.176 186 A CA 0.766 52.589 52.037 -0.355 0.000 0.628 186 A CB -0.118 18.695 19.000 -0.312 0.000 0.816 186 A HN 0.098 nan 8.150 nan 0.000 0.444 187 F N -1.026 118.901 119.950 -0.038 0.000 2.564 187 F HA 0.376 4.903 4.527 -0.000 0.000 0.368 187 F C -2.282 173.502 175.800 -0.027 0.000 1.127 187 F CA -1.928 56.053 58.000 -0.031 0.000 1.170 187 F CB 1.787 40.766 39.000 -0.034 0.000 1.397 187 F HN 0.004 nan 8.300 nan 0.000 0.493 188 P HA 0.087 nan 4.420 nan 0.000 0.255 188 P C 0.049 177.382 177.300 0.054 0.000 1.301 188 P CA 0.717 63.849 63.100 0.053 0.000 0.817 188 P CB 0.380 32.089 31.700 0.015 0.000 1.259 189 D N -1.334 119.109 120.400 0.071 0.000 2.567 189 D HA 0.126 4.766 4.640 -0.000 0.000 0.268 189 D C 0.389 176.708 176.300 0.031 0.000 1.448 189 D CA -0.181 53.846 54.000 0.044 0.000 0.811 189 D CB 0.303 41.124 40.800 0.036 0.000 1.192 189 D HN 0.159 nan 8.370 nan 0.000 0.488 190 I N -1.403 119.187 120.570 0.034 0.000 2.662 190 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 190 I C 0.623 176.718 176.117 -0.037 0.000 1.046 190 I CA -0.924 60.372 61.300 -0.008 0.000 1.361 190 I CB 0.985 38.965 38.000 -0.033 0.000 1.429 190 I HN -0.288 nan 8.210 nan 0.000 0.558 191 R N 4.117 124.581 120.500 -0.059 0.000 2.446 191 R HA 0.308 4.648 4.340 -0.000 0.000 0.314 191 R C -1.339 174.876 176.300 -0.141 0.000 1.003 191 R CA -0.195 55.847 56.100 -0.098 0.000 1.018 191 R CB 0.270 30.507 30.300 -0.104 0.000 0.945 191 R HN 0.686 nan 8.270 nan 0.000 0.419 192 L N 4.140 125.270 121.223 -0.156 0.000 2.381 192 L HA 0.568 4.907 4.340 -0.000 0.000 0.268 192 L C -0.890 175.830 176.870 -0.251 0.000 0.997 192 L CA -0.072 54.661 54.840 -0.177 0.000 0.818 192 L CB 2.463 44.458 42.059 -0.108 0.000 1.310 192 L HN 0.901 nan 8.230 nan 0.000 0.416 193 T N 1.159 115.542 114.554 -0.286 0.000 2.816 193 T HA 0.811 5.161 4.350 -0.000 0.000 0.299 193 T C -0.791 173.813 174.700 -0.161 0.000 1.230 193 T CA -0.253 61.634 62.100 -0.354 0.000 1.007 193 T CB 1.328 69.725 68.868 -0.785 0.000 1.289 193 T HN 0.922 nan 8.240 nan 0.000 0.508 194 V N -1.421 118.465 119.914 -0.046 0.000 3.001 194 V HA 0.777 4.896 4.120 -0.000 0.000 0.314 194 V C -0.638 175.542 176.094 0.145 0.000 1.099 194 V CA -0.834 61.487 62.300 0.035 0.000 0.989 194 V CB 1.834 33.687 31.823 0.049 0.000 1.040 194 V HN 1.083 nan 8.190 nan 0.000 0.434 195 D N 1.168 121.645 120.400 0.129 0.000 2.481 195 D HA 0.849 5.489 4.640 -0.000 0.000 0.283 195 D C 0.546 176.925 176.300 0.131 0.000 1.192 195 D CA 0.408 54.512 54.000 0.174 0.000 1.100 195 D CB 2.216 43.111 40.800 0.158 0.000 1.166 195 D HN 1.174 nan 8.370 nan 0.000 0.584 196 A N -0.629 122.247 122.820 0.093 0.000 2.409 196 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 196 A C 0.184 177.767 177.584 -0.003 0.000 2.875 196 A CA 0.558 52.586 52.037 -0.014 0.000 1.543 196 A CB -1.394 17.588 19.000 -0.030 0.000 0.268 196 A HN 0.606 nan 8.150 nan 0.000 0.536 197 N N 1.113 119.890 118.700 0.128 0.000 2.698 197 N HA -0.179 4.561 4.740 -0.000 0.000 0.258 197 N C 0.380 176.005 175.510 0.191 0.000 0.978 197 N CA 1.834 55.026 53.050 0.237 0.000 0.777 197 N CB -1.129 37.588 38.487 0.383 0.000 0.907 197 N HN 1.908 nan 8.380 nan 0.000 0.543 198 S N -3.980 111.809 115.700 0.149 0.000 3.706 198 S HA -0.282 4.188 4.470 -0.000 0.000 0.363 198 S C 0.917 175.552 174.600 0.059 0.000 0.999 198 S CA 0.782 59.071 58.200 0.148 0.000 1.143 198 S CB -1.624 61.717 63.200 0.236 0.000 0.902 198 S HN 0.854 nan 8.310 nan 0.000 0.476 199 A N -0.720 122.029 122.820 -0.118 0.000 2.115 199 A HA 0.541 4.861 4.320 -0.000 0.000 0.211 199 A C 0.685 178.129 177.584 -0.234 0.000 1.169 199 A CA 0.593 52.494 52.037 -0.227 0.000 0.787 199 A CB -0.050 18.721 19.000 -0.382 0.000 0.858 199 A HN 0.745 nan 8.150 nan 0.000 0.474 200 Y N 0.306 120.648 120.300 0.070 0.000 2.534 200 Y HA 0.553 5.103 4.550 -0.000 0.000 0.338 200 Y C 1.140 177.045 175.900 0.009 0.000 1.279 200 Y CA -0.543 57.579 58.100 0.037 0.000 1.436 200 Y CB 0.111 38.588 38.460 0.028 0.000 1.573 200 Y HN 0.142 nan 8.280 nan 0.000 0.567 201 T N -3.174 111.503 114.554 0.205 0.000 2.865 201 T HA 0.399 4.748 4.350 -0.000 0.000 0.294 201 T C 0.421 175.141 174.700 0.034 0.000 1.119 201 T CA -0.839 61.306 62.100 0.074 0.000 1.007 201 T CB 0.677 69.580 68.868 0.058 0.000 1.225 201 T HN 0.508 nan 8.240 nan 0.000 0.515 202 L N 0.778 121.997 121.223 -0.007 0.000 2.187 202 L HA -0.006 4.334 4.340 -0.000 0.000 0.213 202 L C 3.123 179.986 176.870 -0.012 0.000 1.100 202 L CA 1.528 56.357 54.840 -0.020 0.000 0.765 202 L CB -0.852 41.193 42.059 -0.024 0.000 0.904 202 L HN 0.960 nan 8.230 nan 0.000 0.437 203 A N -0.514 122.306 122.820 -0.000 0.000 2.024 203 A HA -0.218 4.101 4.320 -0.000 0.000 0.220 203 A C 1.707 179.283 177.584 -0.014 0.000 1.164 203 A CA 1.806 53.842 52.037 -0.001 0.000 0.643 203 A CB -0.336 18.671 19.000 0.012 0.000 0.806 203 A HN 0.393 nan 8.150 nan 0.000 0.451 204 D N -0.514 119.872 120.400 -0.023 0.000 2.339 204 D HA 0.291 4.931 4.640 -0.000 0.000 0.217 204 D C 1.852 178.083 176.300 -0.114 0.000 1.050 204 D CA 0.741 54.687 54.000 -0.089 0.000 0.856 204 D CB 0.102 40.809 40.800 -0.156 0.000 0.922 204 D HN 0.431 nan 8.370 nan 0.000 0.518 205 A N 1.038 123.821 122.820 -0.063 0.000 1.986 205 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 205 A C 2.294 179.845 177.584 -0.055 0.000 1.171 205 A CA 2.025 54.030 52.037 -0.052 0.000 0.640 205 A CB -0.840 18.142 19.000 -0.030 0.000 0.811 205 A HN 0.321 nan 8.150 nan 0.000 0.451 206 G N -0.381 108.388 108.800 -0.052 0.000 2.394 206 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 206 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 206 G C 1.660 176.530 174.900 -0.049 0.000 1.176 206 G CA 0.710 45.785 45.100 -0.041 0.000 0.786 206 G HN 0.513 nan 8.290 nan 0.000 0.533 207 R N 0.916 121.370 120.500 -0.075 0.000 2.113 207 R HA -0.126 4.213 4.340 -0.000 0.000 0.231 207 R C 2.468 178.718 176.300 -0.083 0.000 1.129 207 R CA 1.609 57.657 56.100 -0.086 0.000 0.915 207 R CB -1.598 28.615 30.300 -0.145 0.000 0.837 207 R HN 0.570 nan 8.270 nan 0.000 0.430 208 L N 0.413 121.551 121.223 -0.142 0.000 2.675 208 L HA 0.218 4.558 4.340 -0.000 0.000 0.238 208 L C 2.299 179.154 176.870 -0.024 0.000 1.155 208 L CA 0.857 55.649 54.840 -0.079 0.000 0.881 208 L CB -0.574 41.419 42.059 -0.110 0.000 1.008 208 L HN 0.008 nan 8.230 nan 0.000 0.443 209 R N 0.695 121.176 120.500 -0.032 0.000 2.132 209 R HA -0.192 4.147 4.340 -0.000 0.000 0.233 209 R C 0.999 177.290 176.300 -0.015 0.000 1.125 209 R CA 2.122 58.210 56.100 -0.020 0.000 0.914 209 R CB -0.127 30.158 30.300 -0.025 0.000 0.845 209 R HN 0.484 nan 8.270 nan 0.000 0.431 210 Q N 0.267 120.051 119.800 -0.026 0.000 2.490 210 Q HA 0.218 4.558 4.340 -0.000 0.000 0.397 210 Q C 0.036 175.987 176.000 -0.083 0.000 0.937 210 Q CA -0.133 55.634 55.803 -0.060 0.000 1.108 210 Q CB 0.948 29.632 28.738 -0.089 0.000 1.336 210 Q HN 0.336 nan 8.270 nan 0.000 0.410 211 L N 0.356 121.597 121.223 0.029 0.000 2.651 211 L HA -0.162 4.178 4.340 -0.000 0.000 0.236 211 L C 0.472 177.360 176.870 0.029 0.000 1.173 211 L CA 1.246 56.182 54.840 0.159 0.000 0.843 211 L CB -0.439 41.719 42.059 0.164 0.000 0.964 211 L HN 0.442 nan 8.230 nan 0.000 0.454 212 D N 0.211 120.572 120.400 -0.065 0.000 2.178 212 D HA -0.188 4.452 4.640 -0.000 0.000 0.202 212 D C 2.029 178.254 176.300 -0.125 0.000 0.974 212 D CA 1.168 55.130 54.000 -0.063 0.000 0.841 212 D CB 0.185 40.953 40.800 -0.053 0.000 0.953 212 D HN 0.599 nan 8.370 nan 0.000 0.478 213 E N -0.032 119.998 120.200 -0.284 0.000 2.106 213 E HA -0.199 4.150 4.350 -0.000 0.000 0.192 213 E C 1.011 177.454 176.600 -0.262 0.000 0.984 213 E CA 0.744 56.948 56.400 -0.326 0.000 0.806 213 E CB -0.750 28.673 29.700 -0.462 0.000 0.750 213 E HN 0.305 nan 8.360 nan 0.000 0.458 214 Y N 1.875 122.164 120.300 -0.018 0.000 2.572 214 Y HA 0.003 4.553 4.550 -0.000 0.000 0.340 214 Y C 0.177 176.060 175.900 -0.029 0.000 1.224 214 Y CA 0.097 58.182 58.100 -0.024 0.000 1.260 214 Y CB -1.042 37.400 38.460 -0.030 0.000 1.078 214 Y HN 0.044 nan 8.280 nan 0.000 0.491 215 D N 0.843 121.272 120.400 0.048 0.000 2.706 215 D HA -0.230 4.410 4.640 -0.000 0.000 0.230 215 D C -0.208 176.098 176.300 0.009 0.000 1.184 215 D CA 0.484 54.496 54.000 0.020 0.000 0.628 215 D CB -0.647 40.162 40.800 0.015 0.000 1.019 215 D HN 0.374 nan 8.370 nan 0.000 0.415 216 L N -0.181 121.049 121.223 0.011 0.000 2.467 216 L HA 0.037 4.377 4.340 -0.000 0.000 0.270 216 L C 2.234 179.057 176.870 -0.078 0.000 1.205 216 L CA -0.132 54.678 54.840 -0.050 0.000 0.828 216 L CB 0.435 42.477 42.059 -0.029 0.000 1.101 216 L HN -0.063 nan 8.230 nan 0.000 0.479 217 T N -0.081 114.355 114.554 -0.197 0.000 2.942 217 T HA 0.015 4.365 4.350 -0.000 0.000 0.265 217 T C -0.486 174.202 174.700 -0.021 0.000 1.062 217 T CA 1.011 63.018 62.100 -0.156 0.000 1.139 217 T CB -0.134 68.561 68.868 -0.289 0.000 0.883 217 T HN 0.603 nan 8.240 nan 0.000 0.468 218 Y N -1.769 118.559 120.300 0.046 0.000 2.732 218 Y HA 0.617 5.167 4.550 -0.000 0.000 0.342 218 Y C -2.013 173.944 175.900 0.094 0.000 1.203 218 Y CA -2.455 55.694 58.100 0.082 0.000 1.092 218 Y CB 0.345 38.878 38.460 0.121 0.000 1.345 218 Y HN -0.148 nan 8.280 nan 0.000 0.458 219 I N 2.114 122.904 120.570 0.366 0.000 2.378 219 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 219 I C -0.434 175.907 176.117 0.373 0.000 0.992 219 I CA -0.575 60.908 61.300 0.305 0.000 1.154 219 I CB 1.772 39.902 38.000 0.216 0.000 1.315 219 I HN 0.689 nan 8.210 nan 0.000 0.448 220 E N 5.844 126.275 120.200 0.384 0.000 2.146 220 E HA 0.154 4.503 4.350 -0.000 0.000 0.282 220 E C -0.346 176.413 176.600 0.266 0.000 0.989 220 E CA -0.660 55.943 56.400 0.338 0.000 0.799 220 E CB 0.751 30.704 29.700 0.422 0.000 1.088 220 E HN 0.464 nan 8.360 nan 0.000 0.397 221 Q N 3.764 123.706 119.800 0.236 0.000 2.426 221 Q HA -0.168 4.172 4.340 -0.000 0.000 0.359 221 Q C -2.019 174.166 176.000 0.309 0.000 1.381 221 Q CA 0.650 56.619 55.803 0.275 0.000 1.060 221 Q CB -0.327 28.528 28.738 0.195 0.000 1.253 221 Q HN 0.520 nan 8.270 nan 0.000 0.363 222 P HA -0.122 nan 4.420 nan 0.000 0.217 222 P C 0.329 177.708 177.300 0.131 0.000 1.151 222 P CA 1.181 64.424 63.100 0.238 0.000 0.828 222 P CB 0.247 32.089 31.700 0.237 0.000 0.788 223 L N -1.447 119.767 121.223 -0.015 0.000 2.491 223 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 223 L C 0.777 177.711 176.870 0.108 0.000 1.053 223 L CA -1.706 53.058 54.840 -0.126 0.000 0.858 223 L CB -0.386 41.360 42.059 -0.521 0.000 1.519 223 L HN -0.227 nan 8.230 nan 0.000 0.508 224 A N 0.574 123.432 122.820 0.064 0.000 2.587 224 A HA -0.097 4.223 4.320 -0.000 0.000 0.235 224 A C 0.940 178.572 177.584 0.081 0.000 1.044 224 A CA 0.088 52.164 52.037 0.065 0.000 0.754 224 A CB -0.249 18.713 19.000 -0.064 0.000 0.968 224 A HN 0.902 nan 8.150 nan 0.000 0.509 225 W N 2.532 123.844 121.300 0.020 0.000 2.424 225 W HA -0.151 4.509 4.660 -0.000 0.000 0.264 225 W C -0.095 176.387 176.519 -0.061 0.000 1.229 225 W CA 1.313 58.629 57.345 -0.048 0.000 1.208 225 W CB -0.528 28.848 29.460 -0.140 0.000 1.127 225 W HN 0.774 nan 8.180 nan 0.000 0.588 226 D N -0.186 119.675 120.400 -0.898 0.000 2.469 226 D HA 0.055 4.694 4.640 -0.000 0.000 0.215 226 D C -0.601 175.424 176.300 -0.457 0.000 1.154 226 D CA -0.327 53.093 54.000 -0.968 0.000 0.832 226 D CB -0.594 39.170 40.800 -1.725 0.000 1.008 226 D HN 0.111 nan 8.370 nan 0.000 0.506 227 D N -0.105 120.147 120.400 -0.246 0.000 2.225 227 D HA 0.349 4.988 4.640 -0.000 0.000 0.249 227 D C 0.796 177.080 176.300 -0.025 0.000 1.052 227 D CA -0.542 53.410 54.000 -0.080 0.000 0.909 227 D CB 1.514 42.345 40.800 0.051 0.000 1.186 227 D HN -0.067 nan 8.370 nan 0.000 0.431 228 L N 2.587 123.794 121.223 -0.027 0.000 2.663 228 L HA 0.106 4.446 4.340 -0.000 0.000 0.218 228 L C 1.900 178.789 176.870 0.032 0.000 1.043 228 L CA -0.150 54.672 54.840 -0.029 0.000 0.876 228 L CB 0.062 42.072 42.059 -0.082 0.000 1.263 228 L HN 0.368 nan 8.230 nan 0.000 0.486 229 V N 0.137 120.058 119.914 0.012 0.000 2.548 229 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 229 V C 1.841 177.947 176.094 0.020 0.000 1.055 229 V CA 1.733 64.037 62.300 0.008 0.000 1.065 229 V CB -0.388 31.427 31.823 -0.012 0.000 0.681 229 V HN 0.359 nan 8.190 nan 0.000 0.462 230 D N -0.783 119.630 120.400 0.023 0.000 2.123 230 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 230 D C 2.091 178.380 176.300 -0.018 0.000 0.976 230 D CA 1.194 55.185 54.000 -0.014 0.000 0.831 230 D CB -0.314 40.453 40.800 -0.056 0.000 0.974 230 D HN 0.522 nan 8.370 nan 0.000 0.469 231 H N 0.608 119.671 119.070 -0.011 0.000 2.353 231 H HA -0.066 4.490 4.556 -0.000 0.000 0.298 231 H C 1.988 177.313 175.328 -0.004 0.000 1.103 231 H CA 1.769 57.817 56.048 -0.000 0.000 1.293 231 H CB -0.095 29.661 29.762 -0.011 0.000 1.372 231 H HN 0.120 nan 8.280 nan 0.000 0.501 232 A N 0.534 123.420 122.820 0.110 0.000 1.933 232 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 232 A C 2.243 179.846 177.584 0.032 0.000 1.175 232 A CA 1.924 53.991 52.037 0.050 0.000 0.628 232 A CB -0.309 18.705 19.000 0.022 0.000 0.814 232 A HN 0.517 nan 8.150 nan 0.000 0.444 233 E N -0.070 120.143 120.200 0.021 0.000 2.028 233 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 233 E C 1.787 178.392 176.600 0.008 0.000 0.984 233 E CA 1.251 57.656 56.400 0.008 0.000 0.800 233 E CB -0.625 29.073 29.700 -0.002 0.000 0.758 233 E HN 0.342 nan 8.360 nan 0.000 0.448 234 L N 0.594 121.818 121.223 0.001 0.000 2.081 234 L HA -0.154 4.185 4.340 -0.000 0.000 0.212 234 L C 2.323 179.208 176.870 0.025 0.000 1.080 234 L CA 2.354 57.196 54.840 0.002 0.000 0.754 234 L CB -0.868 41.178 42.059 -0.023 0.000 0.893 234 L HN 0.283 nan 8.230 nan 0.000 0.433 235 A N -0.706 122.140 122.820 0.043 0.000 1.940 235 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 235 A C 2.409 180.012 177.584 0.032 0.000 1.176 235 A CA 1.761 53.827 52.037 0.048 0.000 0.631 235 A CB -0.560 18.472 19.000 0.053 0.000 0.814 235 A HN 0.517 nan 8.150 nan 0.000 0.446 236 R N -0.988 119.526 120.500 0.023 0.000 2.235 236 R HA 0.047 4.386 4.340 -0.000 0.000 0.213 236 R C 1.559 177.867 176.300 0.012 0.000 1.059 236 R CA 0.762 56.872 56.100 0.017 0.000 0.997 236 R CB -0.068 30.239 30.300 0.013 0.000 0.884 236 R HN 0.445 nan 8.270 nan 0.000 0.462 237 R N 0.463 120.970 120.500 0.011 0.000 2.334 237 R HA 0.225 4.565 4.340 -0.000 0.000 0.216 237 R C 0.708 177.012 176.300 0.006 0.000 0.905 237 R CA 0.206 56.309 56.100 0.005 0.000 1.064 237 R CB 0.387 30.687 30.300 -0.001 0.000 1.046 237 R HN 0.208 nan 8.270 nan 0.000 0.508 238 I N -3.929 116.650 120.570 0.015 0.000 3.074 238 I HA 0.446 4.615 4.170 -0.000 0.000 0.310 238 I C 0.375 176.506 176.117 0.023 0.000 1.153 238 I CA -1.051 60.259 61.300 0.016 0.000 0.993 238 I CB 2.560 40.573 38.000 0.023 0.000 1.237 238 I HN -0.332 nan 8.210 nan 0.000 0.443 239 R N 1.485 121.996 120.500 0.018 0.000 2.128 239 R HA 0.213 4.553 4.340 -0.000 0.000 0.211 239 R C 0.324 176.644 176.300 0.035 0.000 1.067 239 R CA 1.172 57.283 56.100 0.019 0.000 1.010 239 R CB -0.434 29.869 30.300 0.005 0.000 0.922 239 R HN 0.834 nan 8.270 nan 0.000 0.457 240 T N 3.690 118.268 114.554 0.041 0.000 2.829 240 T HA 0.161 4.511 4.350 -0.000 0.000 0.293 240 T C -2.425 172.332 174.700 0.095 0.000 0.970 240 T CA -1.002 61.136 62.100 0.064 0.000 1.168 240 T CB 0.867 69.776 68.868 0.069 0.000 0.911 240 T HN 0.088 nan 8.240 nan 0.000 0.535 241 P HA 0.072 nan 4.420 nan 0.000 0.266 241 P C -0.334 177.075 177.300 0.183 0.000 1.186 241 P CA -0.009 63.173 63.100 0.136 0.000 0.767 241 P CB 0.407 32.204 31.700 0.161 0.000 0.820 242 L N 2.061 123.373 121.223 0.149 0.000 2.343 242 L HA 0.501 4.840 4.340 -0.000 0.000 0.275 242 L C 0.309 177.241 176.870 0.104 0.000 1.056 242 L CA -0.644 54.296 54.840 0.165 0.000 0.804 242 L CB 1.513 43.669 42.059 0.163 0.000 1.203 242 L HN 0.435 nan 8.230 nan 0.000 0.440 243 C N 4.172 123.529 119.300 0.094 0.000 2.455 243 C HA 0.663 5.122 4.460 -0.000 0.000 0.320 243 C C -0.280 174.675 174.990 -0.058 0.000 1.226 243 C CA -0.631 58.352 59.018 -0.059 0.000 1.569 243 C CB 0.543 28.145 27.740 -0.229 0.000 2.200 243 C HN 0.700 nan 8.230 nan 0.000 0.491 244 L N 5.276 126.408 121.223 -0.152 0.000 2.317 244 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 244 L C 0.339 177.109 176.870 -0.166 0.000 1.024 244 L CA -0.068 54.665 54.840 -0.178 0.000 0.810 244 L CB 1.574 43.489 42.059 -0.241 0.000 1.240 244 L HN 0.784 nan 8.230 nan 0.000 0.427 245 D N 0.653 121.000 120.400 -0.088 0.000 3.051 245 D HA -0.015 4.625 4.640 -0.000 0.000 0.216 245 D C 1.363 177.664 176.300 0.002 0.000 1.454 245 D CA 0.269 54.248 54.000 -0.036 0.000 1.400 245 D CB 0.272 41.125 40.800 0.088 0.000 0.975 245 D HN 0.497 nan 8.370 nan 0.000 0.212 246 E N 0.292 120.517 120.200 0.042 0.000 2.169 246 E HA -0.134 4.216 4.350 -0.000 0.000 0.202 246 E C 2.072 178.691 176.600 0.031 0.000 1.016 246 E CA 1.696 58.100 56.400 0.006 0.000 0.817 246 E CB -0.196 29.522 29.700 0.029 0.000 0.736 246 E HN 0.101 nan 8.360 nan 0.000 0.462 247 S N -0.585 115.088 115.700 -0.045 0.000 2.453 247 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 247 S C 0.510 175.053 174.600 -0.096 0.000 1.005 247 S CA 0.335 58.471 58.200 -0.108 0.000 0.949 247 S CB 0.375 63.447 63.200 -0.213 0.000 0.774 247 S HN -0.033 nan 8.310 nan 0.000 0.510 248 V N 1.823 121.688 119.914 -0.082 0.000 2.294 248 V HA 0.536 4.656 4.120 -0.000 0.000 0.272 248 V C 0.466 176.537 176.094 -0.038 0.000 1.027 248 V CA -0.364 61.889 62.300 -0.079 0.000 0.823 248 V CB 0.687 32.442 31.823 -0.114 0.000 1.030 248 V HN 0.284 nan 8.190 nan 0.000 0.457 249 A N 3.876 126.685 122.820 -0.018 0.000 2.430 249 A HA 0.635 4.954 4.320 -0.000 0.000 0.243 249 A C 0.772 178.357 177.584 0.002 0.000 1.254 249 A CA 0.535 52.576 52.037 0.008 0.000 0.914 249 A CB 0.181 19.201 19.000 0.034 0.000 0.998 249 A HN 0.897 nan 8.150 nan 0.000 0.515 250 S N -3.355 112.338 115.700 -0.011 0.000 2.661 250 S HA 0.632 5.102 4.470 -0.000 0.000 0.268 250 S C 0.758 175.352 174.600 -0.010 0.000 1.162 250 S CA 0.042 58.240 58.200 -0.003 0.000 0.817 250 S CB 0.879 64.081 63.200 0.003 0.000 1.141 250 S HN 0.918 nan 8.310 nan 0.000 0.477 251 A N 1.378 124.202 122.820 0.006 0.000 1.929 251 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 251 A C 2.321 179.909 177.584 0.008 0.000 1.176 251 A CA 1.954 53.998 52.037 0.011 0.000 0.628 251 A CB -1.504 17.516 19.000 0.033 0.000 0.816 251 A HN 1.568 nan 8.150 nan 0.000 0.444 252 S N 0.604 116.309 115.700 0.008 0.000 2.368 252 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 252 S C 1.442 176.030 174.600 -0.020 0.000 1.030 252 S CA 1.562 59.765 58.200 0.004 0.000 0.999 252 S CB -0.620 62.583 63.200 0.006 0.000 0.844 252 S HN 0.471 nan 8.310 nan 0.000 0.459 253 D N 2.646 123.026 120.400 -0.033 0.000 2.116 253 D HA -0.037 4.603 4.640 -0.000 0.000 0.193 253 D C 2.310 178.556 176.300 -0.089 0.000 0.998 253 D CA 1.689 55.653 54.000 -0.060 0.000 0.836 253 D CB -0.827 39.937 40.800 -0.060 0.000 0.951 253 D HN 0.579 nan 8.370 nan 0.000 0.449 254 A N 0.885 123.654 122.820 -0.084 0.000 1.902 254 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 254 A C 2.170 179.653 177.584 -0.170 0.000 1.181 254 A CA 1.476 53.438 52.037 -0.125 0.000 0.623 254 A CB -0.407 18.538 19.000 -0.092 0.000 0.818 254 A HN 0.051 nan 8.150 nan 0.000 0.443 255 R N 0.475 120.927 120.500 -0.079 0.000 2.083 255 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 255 R C 1.912 178.133 176.300 -0.130 0.000 1.137 255 R CA 2.170 58.246 56.100 -0.041 0.000 0.951 255 R CB -0.485 29.873 30.300 0.098 0.000 0.851 255 R HN 0.599 nan 8.270 nan 0.000 0.434 256 K N 0.086 120.433 120.400 -0.088 0.000 2.026 256 K HA -0.083 4.236 4.320 -0.000 0.000 0.208 256 K C 2.242 178.756 176.600 -0.143 0.000 1.048 256 K CA 1.527 57.763 56.287 -0.085 0.000 0.929 256 K CB -0.288 32.175 32.500 -0.061 0.000 0.713 256 K HN 0.235 nan 8.250 nan 0.000 0.439 257 A N 1.649 124.363 122.820 -0.177 0.000 1.873 257 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 257 A C 2.186 179.609 177.584 -0.267 0.000 1.193 257 A CA 1.620 53.537 52.037 -0.200 0.000 0.629 257 A CB -0.806 18.069 19.000 -0.208 0.000 0.826 257 A HN 0.180 nan 8.150 nan 0.000 0.447 258 L N -1.175 119.771 121.223 -0.461 0.000 2.072 258 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 258 L C 3.109 179.642 176.870 -0.561 0.000 1.079 258 L CA 0.852 55.277 54.840 -0.692 0.000 0.752 258 L CB -0.644 40.623 42.059 -1.320 0.000 0.906 258 L HN 0.422 nan 8.230 nan 0.000 0.436 259 A N 0.436 122.984 122.820 -0.452 0.000 1.892 259 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 259 A C 2.245 179.815 177.584 -0.024 0.000 1.188 259 A CA 1.699 53.724 52.037 -0.021 0.000 0.631 259 A CB -0.862 18.190 19.000 0.087 0.000 0.822 259 A HN 0.381 nan 8.150 nan 0.000 0.447 260 L N -1.322 119.859 121.223 -0.070 0.000 2.275 260 L HA 0.034 4.374 4.340 -0.000 0.000 0.215 260 L C 1.724 178.574 176.870 -0.034 0.000 1.119 260 L CA 0.641 55.456 54.840 -0.041 0.000 0.790 260 L CB -0.475 41.555 42.059 -0.049 0.000 0.919 260 L HN 0.660 nan 8.230 nan 0.000 0.443 261 G N -0.594 108.169 108.800 -0.061 0.000 2.198 261 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 261 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 261 G C 0.852 175.736 174.900 -0.025 0.000 1.042 261 G CA 0.371 45.448 45.100 -0.038 0.000 0.791 261 G HN 0.456 nan 8.290 nan 0.000 0.502 262 A N -1.048 121.743 122.820 -0.049 0.000 2.067 262 A HA 0.628 4.948 4.320 -0.000 0.000 0.217 262 A C 1.579 179.152 177.584 -0.017 0.000 1.156 262 A CA 1.775 53.805 52.037 -0.013 0.000 0.683 262 A CB 0.212 19.184 19.000 -0.048 0.000 0.808 262 A HN 2.125 nan 8.150 nan 0.000 0.455 263 G N -3.728 105.035 108.800 -0.062 0.000 2.623 263 G HA2 0.454 4.414 3.960 -0.000 0.000 0.290 263 G HA3 0.454 4.414 3.960 -0.000 0.000 0.290 263 G C 0.159 175.022 174.900 -0.061 0.000 1.437 263 G CA 0.231 45.301 45.100 -0.049 0.000 0.798 263 G HN 0.606 nan 8.290 nan 0.000 0.488 264 G N -1.324 107.461 108.800 -0.025 0.000 3.228 264 G HA2 0.460 4.420 3.960 -0.000 0.000 0.245 264 G HA3 0.460 4.420 3.960 -0.000 0.000 0.245 264 G C -0.377 174.509 174.900 -0.023 0.000 1.051 264 G CA 0.225 45.315 45.100 -0.017 0.000 0.809 264 G HN 0.877 nan 8.290 nan 0.000 0.531 265 V N 1.159 121.041 119.914 -0.054 0.000 2.808 265 V HA 0.501 4.621 4.120 -0.000 0.000 0.308 265 V C -0.994 174.990 176.094 -0.183 0.000 1.099 265 V CA -0.761 61.487 62.300 -0.087 0.000 0.920 265 V CB 2.273 34.047 31.823 -0.082 0.000 1.014 265 V HN 0.113 nan 8.190 nan 0.000 0.425 266 I N 3.617 124.043 120.570 -0.241 0.000 2.378 266 I HA 0.394 4.563 4.170 -0.000 0.000 0.291 266 I C -0.050 175.702 176.117 -0.608 0.000 0.992 266 I CA -0.505 60.590 61.300 -0.341 0.000 1.154 266 I CB 1.803 39.638 38.000 -0.276 0.000 1.315 266 I HN 0.590 nan 8.210 nan 0.000 0.448 267 N N 7.165 125.411 118.700 -0.757 0.000 2.402 267 N HA 0.078 4.818 4.740 -0.000 0.000 0.252 267 N C -1.099 174.044 175.510 -0.613 0.000 1.118 267 N CA -0.348 51.992 53.050 -1.184 0.000 0.945 267 N CB 0.717 38.539 38.487 -1.108 0.000 1.147 267 N HN 0.380 nan 8.380 nan 0.000 0.495 268 L N 4.114 125.047 121.223 -0.483 0.000 2.295 268 L HA 0.343 4.683 4.340 -0.000 0.000 0.288 268 L C -0.262 176.564 176.870 -0.074 0.000 1.079 268 L CA -0.031 54.691 54.840 -0.196 0.000 0.830 268 L CB -0.038 41.949 42.059 -0.120 0.000 1.200 268 L HN 0.378 nan 8.230 nan 0.000 0.438 269 K N 4.505 124.867 120.400 -0.063 0.000 2.281 269 K HA 0.174 4.494 4.320 -0.000 0.000 0.272 269 K C 0.907 177.498 176.600 -0.014 0.000 1.048 269 K CA -0.342 55.934 56.287 -0.018 0.000 0.898 269 K CB 2.024 34.521 32.500 -0.005 0.000 1.128 269 K HN 0.556 nan 8.250 nan 0.000 0.460 270 V N 3.419 123.320 119.914 -0.023 0.000 2.324 270 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 270 V C 1.838 177.862 176.094 -0.117 0.000 1.060 270 V CA 2.819 65.066 62.300 -0.090 0.000 1.042 270 V CB -0.185 31.523 31.823 -0.192 0.000 0.650 270 V HN 0.926 nan 8.190 nan 0.000 0.450 271 A N -0.306 122.453 122.820 -0.101 0.000 1.930 271 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 271 A C 2.397 179.966 177.584 -0.024 0.000 1.176 271 A CA 1.450 53.438 52.037 -0.083 0.000 0.632 271 A CB -0.683 18.269 19.000 -0.081 0.000 0.819 271 A HN 0.581 nan 8.150 nan 0.000 0.445 272 R N 0.276 120.782 120.500 0.010 0.000 2.103 272 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 272 R C 1.760 178.077 176.300 0.029 0.000 1.142 272 R CA 2.146 58.279 56.100 0.055 0.000 0.960 272 R CB -0.358 30.004 30.300 0.105 0.000 0.858 272 R HN 0.540 nan 8.270 nan 0.000 0.439 273 V N -3.429 116.487 119.914 0.004 0.000 3.649 273 V HA 0.378 4.498 4.120 -0.000 0.000 0.275 273 V C 0.941 177.033 176.094 -0.002 0.000 1.281 273 V CA 0.818 63.119 62.300 0.001 0.000 1.143 273 V CB 0.411 32.232 31.823 -0.004 0.000 0.892 273 V HN 0.486 nan 8.190 nan 0.000 0.441 274 G N -1.697 107.094 108.800 -0.016 0.000 2.184 274 G HA2 0.326 4.286 3.960 -0.000 0.000 0.206 274 G HA3 0.326 4.286 3.960 -0.000 0.000 0.206 274 G C 0.953 175.833 174.900 -0.033 0.000 0.995 274 G CA -0.054 45.034 45.100 -0.020 0.000 0.651 274 G HN 2.196 nan 8.290 nan 0.000 0.511 275 G N -1.593 107.168 108.800 -0.066 0.000 2.316 275 G HA2 0.240 4.199 3.960 -0.000 0.000 0.349 275 G HA3 0.240 4.199 3.960 -0.000 0.000 0.349 275 G C 0.214 175.040 174.900 -0.123 0.000 1.274 275 G CA 0.462 45.492 45.100 -0.117 0.000 1.018 275 G HN 0.515 nan 8.290 nan 0.000 0.486 276 H N -0.062 119.008 119.070 -0.000 0.000 2.357 276 H HA 0.054 4.610 4.556 -0.000 0.000 0.301 276 H C 3.091 178.353 175.328 -0.110 0.000 1.082 276 H CA 2.433 58.364 56.048 -0.195 0.000 1.342 276 H CB -0.528 28.808 29.762 -0.709 0.000 1.389 276 H HN 0.714 nan 8.280 nan 0.000 0.511 277 A N 1.133 124.105 122.820 0.253 0.000 1.858 277 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 277 A C 2.391 180.058 177.584 0.139 0.000 1.190 277 A CA 1.982 54.174 52.037 0.259 0.000 0.617 277 A CB -0.443 18.783 19.000 0.377 0.000 0.827 277 A HN 0.361 nan 8.150 nan 0.000 0.443 278 E N 0.213 120.480 120.200 0.112 0.000 2.110 278 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 278 E C 2.178 178.813 176.600 0.058 0.000 0.988 278 E CA 1.516 57.958 56.400 0.069 0.000 0.804 278 E CB -0.228 29.499 29.700 0.044 0.000 0.745 278 E HN 0.533 nan 8.360 nan 0.000 0.458 279 S N -0.046 115.685 115.700 0.051 0.000 2.368 279 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 279 S C 1.893 176.557 174.600 0.107 0.000 1.030 279 S CA 1.212 59.454 58.200 0.071 0.000 0.999 279 S CB -0.318 62.925 63.200 0.072 0.000 0.844 279 S HN 0.285 nan 8.310 nan 0.000 0.459 280 R N 1.218 121.764 120.500 0.076 0.000 2.091 280 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 280 R C 2.402 178.776 176.300 0.124 0.000 1.136 280 R CA 1.356 57.491 56.100 0.058 0.000 0.959 280 R CB -0.113 30.187 30.300 0.000 0.000 0.856 280 R HN 0.301 nan 8.270 nan 0.000 0.437 281 R N -0.345 120.217 120.500 0.103 0.000 2.081 281 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 281 R C 2.310 178.665 176.300 0.091 0.000 1.131 281 R CA 1.578 57.737 56.100 0.098 0.000 0.960 281 R CB -0.352 29.994 30.300 0.077 0.000 0.856 281 R HN 0.094 nan 8.270 nan 0.000 0.436 282 V N 0.957 120.915 119.914 0.073 0.000 2.287 282 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 282 V C 2.492 178.605 176.094 0.033 0.000 1.053 282 V CA 2.153 64.474 62.300 0.034 0.000 1.027 282 V CB -0.886 30.939 31.823 0.003 0.000 0.646 282 V HN 0.487 nan 8.190 nan 0.000 0.447 283 H N 0.832 119.871 119.070 -0.052 0.000 2.289 283 H HA -0.212 4.344 4.556 -0.000 0.000 0.296 283 H C 2.046 177.350 175.328 -0.039 0.000 1.091 283 H CA 2.399 58.388 56.048 -0.098 0.000 1.274 283 H CB -0.317 29.423 29.762 -0.037 0.000 1.364 283 H HN 0.423 nan 8.280 nan 0.000 0.490 284 D N 0.389 120.901 120.400 0.187 0.000 2.144 284 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 284 D C 2.605 178.931 176.300 0.043 0.000 0.984 284 D CA 1.056 55.121 54.000 0.108 0.000 0.834 284 D CB -0.351 40.547 40.800 0.163 0.000 0.955 284 D HN 0.262 nan 8.370 nan 0.000 0.465 285 V N 1.345 121.298 119.914 0.065 0.000 2.307 285 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 285 V C 2.531 178.729 176.094 0.173 0.000 1.045 285 V CA 1.797 64.168 62.300 0.118 0.000 1.024 285 V CB -0.811 31.081 31.823 0.115 0.000 0.651 285 V HN 0.197 nan 8.190 nan 0.000 0.449 286 A N -0.883 121.966 122.820 0.047 0.000 1.902 286 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 286 A C 2.241 179.835 177.584 0.017 0.000 1.181 286 A CA 2.176 54.220 52.037 0.012 0.000 0.623 286 A CB -0.603 18.323 19.000 -0.124 0.000 0.818 286 A HN 0.590 nan 8.150 nan 0.000 0.443 287 Q N 0.238 119.985 119.800 -0.089 0.000 2.096 287 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 287 Q C 2.237 178.225 176.000 -0.019 0.000 0.982 287 Q CA 2.319 58.067 55.803 -0.092 0.000 0.850 287 Q CB -0.227 28.413 28.738 -0.163 0.000 0.901 287 Q HN 0.807 nan 8.270 nan 0.000 0.422 288 S N -0.994 114.705 115.700 -0.002 0.000 2.442 288 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 288 S C 1.303 175.820 174.600 -0.139 0.000 1.007 288 S CA 0.784 58.947 58.200 -0.062 0.000 0.965 288 S CB -0.326 62.825 63.200 -0.083 0.000 0.773 288 S HN 0.431 nan 8.310 nan 0.000 0.504 289 F N 1.682 121.607 119.950 -0.042 0.000 2.727 289 F HA 0.394 4.920 4.527 -0.000 0.000 0.302 289 F C 1.909 177.690 175.800 -0.032 0.000 1.097 289 F CA 0.179 58.158 58.000 -0.034 0.000 1.330 289 F CB 0.083 39.060 39.000 -0.038 0.000 1.084 289 F HN 0.388 nan 8.300 nan 0.000 0.578 290 G N 0.945 109.803 108.800 0.096 0.000 2.160 290 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.251 290 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.251 290 G C 0.134 175.064 174.900 0.050 0.000 1.008 290 G CA 0.063 45.196 45.100 0.054 0.000 0.724 290 G HN 0.631 nan 8.290 nan 0.000 0.514 291 A N 0.774 123.623 122.820 0.048 0.000 2.290 291 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 291 A C -1.508 176.047 177.584 -0.050 0.000 1.202 291 A CA -1.374 50.663 52.037 0.001 0.000 0.837 291 A CB 1.483 20.466 19.000 -0.027 0.000 1.139 291 A HN 0.205 nan 8.150 nan 0.000 0.509 292 P HA 0.390 nan 4.420 nan 0.000 0.276 292 P C -0.177 177.054 177.300 -0.114 0.000 1.244 292 P CA -0.113 62.953 63.100 -0.057 0.000 0.801 292 P CB 1.296 33.017 31.700 0.034 0.000 1.006 293 V N -1.130 118.646 119.914 -0.229 0.000 3.096 293 V HA 0.833 4.952 4.120 -0.000 0.000 0.319 293 V C -0.699 175.316 176.094 -0.132 0.000 1.103 293 V CA -0.894 61.206 62.300 -0.332 0.000 1.016 293 V CB 2.126 33.573 31.823 -0.627 0.000 1.090 293 V HN 0.825 nan 8.190 nan 0.000 0.449 294 W N -0.419 120.790 121.300 -0.152 0.000 3.167 294 W HA 0.623 5.283 4.660 -0.000 0.000 0.324 294 W C -1.416 175.268 176.519 0.275 0.000 1.230 294 W CA -1.216 56.212 57.345 0.139 0.000 1.184 294 W CB 1.080 30.609 29.460 0.116 0.000 1.414 294 W HN 0.853 nan 8.180 nan 0.000 0.551 295 C N 3.154 122.912 119.300 0.764 0.000 2.482 295 C HA 0.642 5.101 4.460 -0.000 0.000 0.378 295 C C 1.191 176.427 174.990 0.411 0.000 1.284 295 C CA 0.730 60.047 59.018 0.498 0.000 1.826 295 C CB -0.854 27.076 27.740 0.317 0.000 2.473 295 C HN 0.781 nan 8.230 nan 0.000 0.562 296 G N 4.117 112.978 108.800 0.102 0.000 2.537 296 G HA2 0.599 4.559 3.960 -0.000 0.000 0.273 296 G HA3 0.599 4.559 3.960 -0.000 0.000 0.273 296 G C -0.004 174.989 174.900 0.156 0.000 1.189 296 G CA 0.066 45.237 45.100 0.118 0.000 0.881 296 G HN 1.174 nan 8.290 nan 0.000 0.535 297 G N -0.728 108.176 108.800 0.174 0.000 2.498 297 G HA2 0.517 4.477 3.960 -0.000 0.000 0.312 297 G HA3 0.517 4.477 3.960 -0.000 0.000 0.312 297 G C -0.119 174.808 174.900 0.046 0.000 1.230 297 G CA -0.650 44.510 45.100 0.099 0.000 0.968 297 G HN 0.421 nan 8.290 nan 0.000 0.481 298 M N 1.912 121.509 119.600 -0.005 0.000 3.017 298 M HA 0.238 4.718 4.480 -0.000 0.000 0.423 298 M C 0.180 176.479 176.300 -0.001 0.000 1.395 298 M CA -0.048 55.236 55.300 -0.028 0.000 0.816 298 M CB -0.034 32.517 32.600 -0.082 0.000 1.440 298 M HN 0.560 nan 8.290 nan 0.000 0.506 299 L N 0.713 121.911 121.223 -0.042 0.000 3.597 299 L HA -0.255 4.085 4.340 -0.000 0.000 0.440 299 L C -0.325 176.600 176.870 0.091 0.000 1.277 299 L CA 0.524 55.321 54.840 -0.071 0.000 0.852 299 L CB -1.850 40.235 42.059 0.044 0.000 1.708 299 L HN 0.370 nan 8.230 nan 0.000 0.885 300 E N 0.248 120.443 120.200 -0.008 0.000 2.366 300 E HA 0.415 4.765 4.350 -0.000 0.000 0.266 300 E C 0.782 177.474 176.600 0.153 0.000 1.051 300 E CA 0.360 56.795 56.400 0.059 0.000 0.884 300 E CB 0.891 30.597 29.700 0.010 0.000 1.006 300 E HN 0.393 nan 8.360 nan 0.000 0.417 301 S N 1.058 116.742 115.700 -0.027 0.000 2.641 301 S HA 0.096 4.566 4.470 -0.000 0.000 0.251 301 S C 1.434 176.027 174.600 -0.011 0.000 1.332 301 S CA -0.215 57.864 58.200 -0.202 0.000 0.968 301 S CB 0.583 63.583 63.200 -0.333 0.000 0.987 301 S HN 0.630 nan 8.310 nan 0.000 0.587 302 G N -0.369 108.420 108.800 -0.018 0.000 2.534 302 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.217 302 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.217 302 G C 1.177 176.105 174.900 0.047 0.000 1.128 302 G CA 0.386 45.514 45.100 0.046 0.000 0.784 302 G HN 0.559 nan 8.290 nan 0.000 0.542 303 I N 1.869 122.461 120.570 0.037 0.000 2.133 303 I HA -0.058 4.112 4.170 -0.000 0.000 0.238 303 I C 3.041 179.269 176.117 0.186 0.000 1.074 303 I CA 1.481 62.836 61.300 0.091 0.000 1.342 303 I CB -1.538 36.509 38.000 0.078 0.000 1.053 303 I HN 0.213 nan 8.210 nan 0.000 0.404 304 G N 0.505 109.378 108.800 0.121 0.000 2.440 304 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 304 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 304 G C 1.919 176.894 174.900 0.125 0.000 1.154 304 G CA 0.921 46.087 45.100 0.111 0.000 0.767 304 G HN 0.321 nan 8.290 nan 0.000 0.552 305 R N 0.495 121.047 120.500 0.088 0.000 2.092 305 R HA 0.074 4.414 4.340 -0.000 0.000 0.231 305 R C 2.807 179.162 176.300 0.092 0.000 1.119 305 R CA 1.423 57.567 56.100 0.074 0.000 0.970 305 R CB -0.330 30.006 30.300 0.060 0.000 0.864 305 R HN 0.295 nan 8.270 nan 0.000 0.440 306 A N 0.253 123.131 122.820 0.098 0.000 1.929 306 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 306 A C 1.833 179.491 177.584 0.123 0.000 1.176 306 A CA 1.147 53.242 52.037 0.095 0.000 0.628 306 A CB -0.731 18.297 19.000 0.046 0.000 0.816 306 A HN 0.421 nan 8.150 nan 0.000 0.444 307 H N 0.240 119.374 119.070 0.106 0.000 2.352 307 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 307 H C 1.907 177.331 175.328 0.159 0.000 1.097 307 H CA 1.877 58.018 56.048 0.154 0.000 1.311 307 H CB -0.095 29.759 29.762 0.154 0.000 1.377 307 H HN 0.432 nan 8.280 nan 0.000 0.504 308 N N 0.705 119.528 118.700 0.204 0.000 2.084 308 N HA -0.102 4.638 4.740 -0.000 0.000 0.190 308 N C 2.248 177.757 175.510 -0.002 0.000 1.030 308 N CA 0.748 53.850 53.050 0.088 0.000 0.849 308 N CB -0.507 38.022 38.487 0.070 0.000 1.012 308 N HN 0.325 nan 8.380 nan 0.000 0.423 309 I N 0.567 121.143 120.570 0.010 0.000 2.163 309 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 309 I C 2.195 178.217 176.117 -0.159 0.000 1.085 309 I CA 1.187 62.441 61.300 -0.076 0.000 1.347 309 I CB -0.352 37.607 38.000 -0.068 0.000 1.044 309 I HN 0.302 nan 8.210 nan 0.000 0.408 310 H N -0.018 118.975 119.070 -0.128 0.000 2.353 310 H HA -0.165 4.391 4.556 -0.000 0.000 0.300 310 H C 2.192 177.379 175.328 -0.235 0.000 1.090 310 H CA 1.706 57.647 56.048 -0.178 0.000 1.327 310 H CB -0.087 29.551 29.762 -0.207 0.000 1.383 310 H HN 0.219 nan 8.280 nan 0.000 0.508 311 L N 0.768 121.935 121.223 -0.094 0.000 2.083 311 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 311 L C 2.138 178.650 176.870 -0.597 0.000 1.083 311 L CA 1.337 56.053 54.840 -0.207 0.000 0.752 311 L CB -0.440 41.606 42.059 -0.021 0.000 0.899 311 L HN -0.045 nan 8.230 nan 0.000 0.433 312 S N -1.249 114.024 115.700 -0.712 0.000 2.547 312 S HA -0.098 4.371 4.470 -0.000 0.000 0.235 312 S C 1.657 175.932 174.600 -0.542 0.000 0.980 312 S CA 1.046 58.598 58.200 -1.080 0.000 0.941 312 S CB -0.673 62.198 63.200 -0.547 0.000 0.763 312 S HN 0.779 nan 8.310 nan 0.000 0.532 313 T N -0.495 113.852 114.554 -0.345 0.000 3.113 313 T HA 0.205 4.554 4.350 -0.000 0.000 0.256 313 T C 0.475 175.093 174.700 -0.138 0.000 1.131 313 T CA -0.093 61.887 62.100 -0.200 0.000 1.074 313 T CB -0.330 68.423 68.868 -0.191 0.000 0.944 313 T HN -0.006 nan 8.240 nan 0.000 0.516 314 L N 3.124 124.290 121.223 -0.095 0.000 2.461 314 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 314 L C 1.925 178.964 176.870 0.281 0.000 1.197 314 L CA 0.339 55.194 54.840 0.025 0.000 0.836 314 L CB 0.798 42.745 42.059 -0.186 0.000 1.105 314 L HN 0.354 nan 8.230 nan 0.000 0.477 315 S N 0.752 116.606 115.700 0.257 0.000 2.423 315 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 315 S C 1.314 176.062 174.600 0.247 0.000 1.014 315 S CA 1.241 59.563 58.200 0.204 0.000 0.965 315 S CB -0.522 62.750 63.200 0.121 0.000 0.785 315 S HN 0.773 nan 8.310 nan 0.000 0.495 316 N N -0.266 118.640 118.700 0.342 0.000 2.461 316 N HA 0.090 4.830 4.740 -0.000 0.000 0.188 316 N C -0.910 174.576 175.510 -0.041 0.000 1.134 316 N CA -0.166 52.832 53.050 -0.086 0.000 0.878 316 N CB -0.037 38.029 38.487 -0.701 0.000 0.972 316 N HN 0.352 nan 8.380 nan 0.000 0.456 317 F N 1.378 121.432 119.950 0.173 0.000 2.679 317 F HA 0.184 4.711 4.527 -0.000 0.000 0.351 317 F C 1.418 177.293 175.800 0.125 0.000 1.279 317 F CA 0.007 58.103 58.000 0.159 0.000 1.227 317 F CB 0.245 39.338 39.000 0.156 0.000 1.623 317 F HN -0.116 nan 8.300 nan 0.000 0.666 318 R N 1.113 121.725 120.500 0.187 0.000 2.312 318 R HA 0.284 4.624 4.340 -0.000 0.000 0.205 318 R C -0.052 176.340 176.300 0.153 0.000 0.904 318 R CA 0.144 56.330 56.100 0.144 0.000 1.052 318 R CB 0.446 30.797 30.300 0.085 0.000 1.014 318 R HN 0.392 nan 8.270 nan 0.000 0.503 319 L N 1.264 122.614 121.223 0.212 0.000 2.342 319 L HA 0.467 4.807 4.340 -0.000 0.000 0.271 319 L C -2.376 174.605 176.870 0.184 0.000 1.008 319 L CA -2.646 52.302 54.840 0.179 0.000 0.818 319 L CB 1.941 44.123 42.059 0.205 0.000 1.296 319 L HN -0.262 nan 8.230 nan 0.000 0.427 320 P HA 0.061 nan 4.420 nan 0.000 0.265 320 P C -0.109 177.226 177.300 0.058 0.000 1.193 320 P CA -0.026 63.112 63.100 0.064 0.000 0.765 320 P CB 0.624 32.324 31.700 -0.000 0.000 0.823 321 G N 1.417 110.337 108.800 0.200 0.000 2.525 321 G HA2 0.144 4.104 3.960 -0.000 0.000 0.287 321 G HA3 0.144 4.104 3.960 -0.000 0.000 0.287 321 G C -0.042 174.981 174.900 0.205 0.000 1.350 321 G CA -0.328 44.980 45.100 0.347 0.000 1.039 321 G HN 0.325 nan 8.290 nan 0.000 0.513 322 D N -0.393 120.201 120.400 0.323 0.000 2.388 322 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 322 D C 0.853 177.257 176.300 0.174 0.000 1.133 322 D CA 0.190 54.319 54.000 0.214 0.000 0.831 322 D CB 0.248 41.240 40.800 0.321 0.000 0.962 322 D HN 0.167 nan 8.370 nan 0.000 0.502 323 T N 0.604 115.261 114.554 0.171 0.000 4.058 323 T HA 0.125 4.475 4.350 -0.000 0.000 0.252 323 T C 0.979 175.787 174.700 0.180 0.000 1.264 323 T CA -0.355 61.833 62.100 0.147 0.000 1.094 323 T CB -0.316 68.621 68.868 0.115 0.000 1.316 323 T HN 0.050 nan 8.240 nan 0.000 0.872 324 S N 0.798 116.627 115.700 0.216 0.000 2.640 324 S HA 0.400 4.870 4.470 -0.000 0.000 0.262 324 S C 0.545 175.346 174.600 0.334 0.000 1.232 324 S CA -0.918 57.455 58.200 0.288 0.000 0.988 324 S CB 0.416 63.669 63.200 0.089 0.000 1.034 324 S HN 0.308 nan 8.310 nan 0.000 0.569 325 S N 0.635 116.533 115.700 0.330 0.000 2.549 325 S HA 0.361 4.831 4.470 -0.000 0.000 0.286 325 S C 1.534 176.328 174.600 0.324 0.000 1.314 325 S CA -0.152 58.202 58.200 0.256 0.000 1.062 325 S CB 0.584 63.898 63.200 0.190 0.000 0.865 325 S HN 0.908 nan 8.310 nan 0.000 0.498 326 A N 3.338 126.324 122.820 0.277 0.000 1.933 326 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 326 A C 2.291 180.042 177.584 0.277 0.000 1.175 326 A CA 1.840 54.079 52.037 0.336 0.000 0.628 326 A CB -1.089 18.099 19.000 0.314 0.000 0.814 326 A HN 0.944 nan 8.150 nan 0.000 0.444 327 S N -0.034 115.775 115.700 0.182 0.000 2.465 327 S HA -0.180 4.290 4.470 -0.000 0.000 0.241 327 S C 1.743 176.363 174.600 0.034 0.000 1.000 327 S CA 1.169 59.433 58.200 0.107 0.000 0.964 327 S CB -0.507 62.738 63.200 0.075 0.000 0.763 327 S HN 0.664 nan 8.310 nan 0.000 0.512 328 R N -0.615 119.880 120.500 -0.008 0.000 2.189 328 R HA 0.065 4.405 4.340 -0.000 0.000 0.218 328 R C 1.374 177.522 176.300 -0.255 0.000 1.074 328 R CA 1.362 57.368 56.100 -0.156 0.000 0.991 328 R CB -0.288 29.797 30.300 -0.360 0.000 0.883 328 R HN 0.581 nan 8.270 nan 0.000 0.457 329 Y N -1.602 118.470 120.300 -0.380 0.000 2.464 329 Y HA 0.109 4.659 4.550 -0.000 0.000 0.288 329 Y C 0.481 175.785 175.900 -0.994 0.000 1.133 329 Y CA -0.146 57.336 58.100 -1.031 0.000 1.223 329 Y CB 0.279 37.621 38.460 -1.865 0.000 1.187 329 Y HN -0.053 nan 8.280 nan 0.000 0.539 330 W N 0.665 122.055 121.300 0.151 0.000 2.702 330 W HA 0.426 5.086 4.660 -0.000 0.000 0.331 330 W C 0.671 177.204 176.519 0.025 0.000 1.049 330 W CA -0.801 56.581 57.345 0.062 0.000 1.230 330 W CB 1.128 30.627 29.460 0.065 0.000 1.408 330 W HN -0.144 nan 8.180 nan 0.000 0.492 331 E N 1.020 121.357 120.200 0.228 0.000 2.106 331 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 331 E C 0.579 177.206 176.600 0.045 0.000 0.984 331 E CA 0.911 57.372 56.400 0.102 0.000 0.806 331 E CB 0.310 30.052 29.700 0.070 0.000 0.750 331 E HN 0.244 nan 8.360 nan 0.000 0.458 332 R N 0.591 121.115 120.500 0.040 0.000 2.548 332 R HA 0.125 4.465 4.340 -0.000 0.000 0.280 332 R C -1.713 174.536 176.300 -0.084 0.000 1.061 332 R CA -0.485 55.501 56.100 -0.189 0.000 0.915 332 R CB 1.595 31.479 30.300 -0.693 0.000 1.210 332 R HN -0.100 nan 8.270 nan 0.000 0.442 333 D N 2.264 122.627 120.400 -0.061 0.000 2.432 333 D HA 0.203 4.843 4.640 -0.000 0.000 0.258 333 D C 1.075 177.370 176.300 -0.008 0.000 1.146 333 D CA -0.452 53.514 54.000 -0.057 0.000 1.015 333 D CB 1.371 42.203 40.800 0.054 0.000 1.107 333 D HN 0.492 nan 8.370 nan 0.000 0.529 334 L N 0.789 121.997 121.223 -0.025 0.000 2.492 334 L HA 0.120 4.460 4.340 -0.000 0.000 0.223 334 L C 0.937 177.846 176.870 0.066 0.000 1.132 334 L CA 0.360 55.244 54.840 0.074 0.000 0.850 334 L CB -0.414 41.618 42.059 -0.044 0.000 0.966 334 L HN 0.357 nan 8.230 nan 0.000 0.454 335 I N -4.742 115.845 120.570 0.029 0.000 2.822 335 I HA 0.216 4.386 4.170 -0.000 0.000 0.312 335 I C 0.756 176.884 176.117 0.020 0.000 1.011 335 I CA -0.796 60.520 61.300 0.026 0.000 1.105 335 I CB 1.229 39.240 38.000 0.019 0.000 1.291 335 I HN -0.115 nan 8.210 nan 0.000 0.474 336 Q N 0.728 120.539 119.800 0.017 0.000 2.137 336 Q HA 0.010 4.350 4.340 -0.000 0.000 0.198 336 Q C -0.277 175.727 176.000 0.006 0.000 0.960 336 Q CA 1.000 56.808 55.803 0.008 0.000 0.847 336 Q CB -0.034 28.710 28.738 0.010 0.000 0.915 336 Q HN 0.633 nan 8.270 nan 0.000 0.448 337 E N 2.208 122.415 120.200 0.013 0.000 2.338 337 E HA 0.094 4.443 4.350 -0.000 0.000 0.272 337 E C -2.301 174.315 176.600 0.027 0.000 1.029 337 E CA -1.679 54.730 56.400 0.016 0.000 0.872 337 E CB 0.274 29.984 29.700 0.017 0.000 1.015 337 E HN 0.075 nan 8.360 nan 0.000 0.417 338 P HA 0.154 nan 4.420 nan 0.000 0.285 338 P C -0.869 176.461 177.300 0.051 0.000 1.259 338 P CA -0.264 62.863 63.100 0.044 0.000 0.794 338 P CB 0.713 32.432 31.700 0.031 0.000 0.940 339 L N 3.432 124.701 121.223 0.077 0.000 2.356 339 L HA 0.360 4.700 4.340 -0.000 0.000 0.264 339 L C 0.312 177.237 176.870 0.091 0.000 1.029 339 L CA -0.239 54.647 54.840 0.076 0.000 0.897 339 L CB 0.791 42.904 42.059 0.089 0.000 1.256 339 L HN 0.203 nan 8.230 nan 0.000 0.444 340 E N 2.586 122.823 120.200 0.063 0.000 2.210 340 E HA 0.602 4.951 4.350 -0.000 0.000 0.266 340 E C -0.688 175.933 176.600 0.035 0.000 0.883 340 E CA -0.578 55.858 56.400 0.060 0.000 0.761 340 E CB 2.763 32.486 29.700 0.039 0.000 1.156 340 E HN 0.453 nan 8.360 nan 0.000 0.412 341 A N 2.363 125.209 122.820 0.043 0.000 2.309 341 A HA 0.581 4.900 4.320 -0.000 0.000 0.298 341 A C -0.371 177.152 177.584 -0.103 0.000 1.165 341 A CA -0.564 51.465 52.037 -0.013 0.000 0.821 341 A CB 0.793 19.814 19.000 0.034 0.000 1.102 341 A HN 0.328 nan 8.150 nan 0.000 0.500 342 V N 2.554 122.400 119.914 -0.114 0.000 2.531 342 V HA 0.409 4.529 4.120 -0.000 0.000 0.301 342 V C 0.082 176.081 176.094 -0.159 0.000 1.034 342 V CA 0.458 62.670 62.300 -0.146 0.000 0.865 342 V CB 1.312 33.081 31.823 -0.090 0.000 0.995 342 V HN 1.184 nan 8.190 nan 0.000 0.424 343 D N 4.195 124.466 120.400 -0.215 0.000 2.870 343 D HA -0.160 4.480 4.640 -0.000 0.000 0.228 343 D C 1.128 177.330 176.300 -0.163 0.000 1.147 343 D CA 1.976 55.872 54.000 -0.173 0.000 0.757 343 D CB -1.112 39.627 40.800 -0.101 0.000 1.091 343 D HN 1.608 nan 8.370 nan 0.000 0.429 344 G N -1.422 107.227 108.800 -0.252 0.000 2.162 344 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 344 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 344 G C 0.232 175.109 174.900 -0.039 0.000 0.976 344 G CA 0.471 45.496 45.100 -0.124 0.000 0.655 344 G HN 0.616 nan 8.290 nan 0.000 0.533 345 L N -0.338 120.849 121.223 -0.059 0.000 2.322 345 L HA 0.801 5.141 4.340 -0.000 0.000 0.281 345 L C 0.077 176.936 176.870 -0.020 0.000 1.014 345 L CA -1.092 53.733 54.840 -0.026 0.000 0.815 345 L CB 1.882 43.923 42.059 -0.029 0.000 1.247 345 L HN 0.161 nan 8.230 nan 0.000 0.421 346 M N 6.989 126.588 119.600 -0.001 0.000 2.125 346 M HA 0.549 5.029 4.480 -0.000 0.000 0.321 346 M C -2.629 173.657 176.300 -0.023 0.000 0.983 346 M CA -2.130 53.172 55.300 0.003 0.000 0.934 346 M CB 1.605 34.225 32.600 0.033 0.000 1.542 346 M HN 0.095 nan 8.290 nan 0.000 0.424 347 P HA 0.202 nan 4.420 nan 0.000 0.276 347 P C -0.964 176.290 177.300 -0.076 0.000 1.244 347 P CA -0.428 62.642 63.100 -0.049 0.000 0.801 347 P CB 0.684 32.362 31.700 -0.037 0.000 1.006 348 V N 3.426 123.267 119.914 -0.121 0.000 2.479 348 V HA 0.118 4.238 4.120 -0.000 0.000 0.281 348 V C -1.785 174.230 176.094 -0.132 0.000 1.031 348 V CA -1.141 61.032 62.300 -0.212 0.000 1.038 348 V CB -0.247 31.405 31.823 -0.285 0.000 0.981 348 V HN 0.569 nan 8.190 nan 0.000 0.478 349 P HA 0.194 nan 4.420 nan 0.000 0.271 349 P C -0.377 176.941 177.300 0.029 0.000 1.226 349 P CA -0.297 62.802 63.100 -0.002 0.000 0.765 349 P CB 0.525 32.250 31.700 0.041 0.000 0.835 350 Q N 1.832 121.638 119.800 0.011 0.000 2.421 350 Q HA 0.492 4.832 4.340 -0.000 0.000 0.255 350 Q C 0.649 176.662 176.000 0.022 0.000 1.013 350 Q CA 1.475 57.286 55.803 0.013 0.000 0.895 350 Q CB 0.204 28.942 28.738 -0.001 0.000 1.271 350 Q HN 0.845 nan 8.270 nan 0.000 0.460 351 G N 2.279 111.089 108.800 0.016 0.000 2.423 351 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.684 351 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.684 351 G C -2.921 171.966 174.900 -0.022 0.000 1.309 351 G CA -0.730 44.367 45.100 -0.006 0.000 0.950 351 G HN 0.628 nan 8.290 nan 0.000 0.587 352 P HA 0.463 nan 4.420 nan 0.000 0.271 352 P C 1.293 178.508 177.300 -0.142 0.000 1.218 352 P CA 1.645 64.689 63.100 -0.093 0.000 0.780 352 P CB 0.907 32.552 31.700 -0.092 0.000 0.901 353 G N 2.567 111.249 108.800 -0.196 0.000 2.583 353 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.292 353 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.292 353 G C 1.111 175.703 174.900 -0.512 0.000 1.203 353 G CA 1.165 46.096 45.100 -0.282 0.000 0.987 353 G HN 0.699 nan 8.290 nan 0.000 0.554 354 T N -0.829 113.434 114.554 -0.485 0.000 3.007 354 T HA 0.318 4.668 4.350 -0.000 0.000 0.270 354 T C 2.751 177.330 174.700 -0.201 0.000 1.107 354 T CA 1.911 63.678 62.100 -0.555 0.000 1.118 354 T CB -0.430 68.174 68.868 -0.441 0.000 0.889 354 T HN 2.793 nan 8.240 nan 0.000 0.506 355 G N 0.727 109.456 108.800 -0.119 0.000 2.155 355 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.257 355 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.257 355 G C 0.193 175.095 174.900 0.002 0.000 0.983 355 G CA 0.540 45.641 45.100 0.003 0.000 0.676 355 G HN 1.603 nan 8.290 nan 0.000 0.528 356 V N -3.619 116.279 119.914 -0.027 0.000 3.113 356 V HA 1.014 5.134 4.120 -0.000 0.000 0.316 356 V C -0.095 175.988 176.094 -0.018 0.000 1.125 356 V CA -0.182 62.111 62.300 -0.011 0.000 1.026 356 V CB 2.222 34.045 31.823 0.001 0.000 1.080 356 V HN 0.624 nan 8.190 nan 0.000 0.444 357 T N 2.804 117.356 114.554 -0.003 0.000 2.921 357 T HA 0.543 4.892 4.350 -0.000 0.000 0.297 357 T C -0.459 174.249 174.700 0.013 0.000 1.013 357 T CA -0.423 61.678 62.100 0.001 0.000 0.990 357 T CB 1.350 70.221 68.868 0.005 0.000 1.023 357 T HN 0.775 nan 8.240 nan 0.000 0.447 358 L N 2.788 124.020 121.223 0.015 0.000 2.499 358 L HA 0.159 4.498 4.340 -0.000 0.000 0.273 358 L C 0.520 177.413 176.870 0.038 0.000 1.195 358 L CA -0.184 54.671 54.840 0.025 0.000 0.882 358 L CB 0.330 42.401 42.059 0.021 0.000 1.133 358 L HN 0.669 nan 8.230 nan 0.000 0.483 359 D N 3.934 124.371 120.400 0.061 0.000 2.422 359 D HA 0.063 4.703 4.640 -0.000 0.000 0.227 359 D C 1.095 177.448 176.300 0.087 0.000 1.190 359 D CA -0.230 53.821 54.000 0.084 0.000 0.905 359 D CB 0.667 41.540 40.800 0.122 0.000 1.034 359 D HN 0.297 nan 8.370 nan 0.000 0.507 360 R N 2.683 123.216 120.500 0.055 0.000 2.092 360 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 360 R C 1.645 177.962 176.300 0.028 0.000 1.119 360 R CA 0.713 56.833 56.100 0.033 0.000 0.970 360 R CB -0.152 30.165 30.300 0.029 0.000 0.864 360 R HN 0.593 nan 8.270 nan 0.000 0.440 361 E N 0.113 120.345 120.200 0.054 0.000 2.012 361 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 361 E C 1.788 178.436 176.600 0.080 0.000 1.007 361 E CA 1.441 57.877 56.400 0.059 0.000 0.816 361 E CB -0.267 29.478 29.700 0.076 0.000 0.762 361 E HN 0.245 nan 8.360 nan 0.000 0.451 362 F N 0.687 120.630 119.950 -0.011 0.000 2.095 362 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 362 F C 2.150 177.934 175.800 -0.025 0.000 1.104 362 F CA 1.336 59.326 58.000 -0.017 0.000 1.232 362 F CB -0.231 38.757 39.000 -0.020 0.000 0.987 362 F HN 0.173 nan 8.300 nan 0.000 0.475 363 L N 1.306 122.416 121.223 -0.189 0.000 2.043 363 L HA -0.189 4.150 4.340 -0.000 0.000 0.212 363 L C 2.476 179.186 176.870 -0.265 0.000 1.075 363 L CA 2.132 56.804 54.840 -0.279 0.000 0.752 363 L CB -1.383 40.617 42.059 -0.098 0.000 0.891 363 L HN 0.202 nan 8.230 nan 0.000 0.432 364 A N -1.113 121.613 122.820 -0.156 0.000 1.948 364 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 364 A C 2.362 179.853 177.584 -0.155 0.000 1.177 364 A CA 2.624 54.590 52.037 -0.118 0.000 0.636 364 A CB -1.474 17.489 19.000 -0.061 0.000 0.815 364 A HN 0.687 nan 8.150 nan 0.000 0.449 365 T N -2.554 111.865 114.554 -0.224 0.000 3.055 365 T HA 0.055 4.405 4.350 -0.000 0.000 0.265 365 T C 1.209 175.756 174.700 -0.255 0.000 1.111 365 T CA 1.347 63.324 62.100 -0.205 0.000 1.118 365 T CB -0.383 68.392 68.868 -0.154 0.000 0.909 365 T HN 0.850 nan 8.240 nan 0.000 0.501 366 V N -2.247 117.437 119.914 -0.384 0.000 3.528 366 V HA 0.374 4.494 4.120 -0.000 0.000 0.294 366 V C 0.628 176.603 176.094 -0.197 0.000 1.404 366 V CA -0.593 61.526 62.300 -0.303 0.000 1.065 366 V CB -0.669 30.897 31.823 -0.428 0.000 0.904 366 V HN 0.205 nan 8.190 nan 0.000 0.435 367 T N 3.213 117.662 114.554 -0.174 0.000 2.919 367 T HA 0.277 4.626 4.350 -0.000 0.000 0.302 367 T C 0.995 175.649 174.700 -0.077 0.000 1.031 367 T CA 0.873 62.905 62.100 -0.113 0.000 1.127 367 T CB 1.038 69.849 68.868 -0.095 0.000 0.952 367 T HN 0.875 nan 8.240 nan 0.000 0.540 368 E N 1.097 121.263 120.200 -0.057 0.000 2.606 368 E HA 0.513 4.863 4.350 -0.000 0.000 0.224 368 E C 0.035 176.616 176.600 -0.031 0.000 0.930 368 E CA -0.563 55.813 56.400 -0.040 0.000 1.125 368 E CB 0.747 30.427 29.700 -0.032 0.000 1.123 368 E HN 0.485 nan 8.360 nan 0.000 0.522 369 A N 1.702 124.504 122.820 -0.031 0.000 2.547 369 A HA 0.553 4.873 4.320 -0.000 0.000 0.297 369 A C -1.750 175.822 177.584 -0.020 0.000 1.056 369 A CA -0.809 51.215 52.037 -0.022 0.000 0.688 369 A CB 1.473 20.465 19.000 -0.014 0.000 1.282 369 A HN 0.216 nan 8.150 nan 0.000 0.400 370 Q N 1.173 120.962 119.800 -0.019 0.000 2.378 370 Q HA 0.632 4.972 4.340 -0.000 0.000 0.262 370 Q C -1.374 174.609 176.000 -0.029 0.000 0.978 370 Q CA -0.799 54.995 55.803 -0.017 0.000 0.918 370 Q CB 1.807 30.532 28.738 -0.022 0.000 1.415 370 Q HN 0.851 nan 8.270 nan 0.000 0.409 371 E N 1.422 121.604 120.200 -0.031 0.000 2.413 371 E HA 0.587 4.937 4.350 -0.000 0.000 0.277 371 E C -1.386 175.138 176.600 -0.127 0.000 0.958 371 E CA -0.971 55.366 56.400 -0.104 0.000 0.779 371 E CB 2.845 32.473 29.700 -0.120 0.000 1.278 371 E HN 0.592 nan 8.360 nan 0.000 0.456 372 E N 0.814 120.867 120.200 -0.245 0.000 2.266 372 E HA 0.321 4.671 4.350 -0.000 0.000 0.268 372 E C -1.392 175.011 176.600 -0.329 0.000 0.879 372 E CA -0.775 55.529 56.400 -0.160 0.000 0.762 372 E CB 1.512 31.167 29.700 -0.076 0.000 1.199 372 E HN 0.466 nan 8.360 nan 0.000 0.422 373 H N 2.983 122.078 119.070 0.042 0.000 2.679 373 H HA 0.474 5.030 4.556 -0.000 0.000 0.360 373 H C -0.221 175.136 175.328 0.048 0.000 1.105 373 H CA -0.823 55.248 56.048 0.039 0.000 1.196 373 H CB 1.573 31.360 29.762 0.042 0.000 1.636 373 H HN 0.446 nan 8.280 nan 0.000 0.531 374 R N 1.089 121.674 120.500 0.143 0.000 2.905 374 R HA 0.785 5.125 4.340 -0.000 0.000 0.260 374 R C -0.328 176.027 176.300 0.092 0.000 1.086 374 R CA -1.130 55.032 56.100 0.105 0.000 0.978 374 R CB 1.110 31.447 30.300 0.061 0.000 1.215 374 R HN 0.509 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.863 122.820 0.072 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.071 52.037 0.056 0.000 0.836 375 A CB 0.000 19.028 19.000 0.046 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486