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 1xpy_1_C DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKFR FETSFGVQTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR 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 0.000 176.479 176.300 0.299 0.000 0.893 6 R CA 0.000 56.214 56.100 0.189 0.000 0.921 6 R CB 0.000 30.372 30.300 0.120 0.000 0.687 7 M N 1.549 121.263 119.600 0.191 0.000 2.198 7 M HA 0.332 4.812 4.480 -0.000 0.000 0.315 7 M C 0.245 176.694 176.300 0.248 0.000 1.134 7 M CA 0.378 55.766 55.300 0.147 0.000 1.171 7 M CB -0.015 32.570 32.600 -0.025 0.000 1.413 7 M HN 0.475 nan 8.290 nan 0.000 0.467 8 F N -0.489 119.547 119.950 0.143 0.000 2.577 8 F HA 0.728 5.255 4.527 -0.000 0.000 0.318 8 F C -0.772 175.108 175.800 0.132 0.000 1.065 8 F CA -1.215 56.876 58.000 0.151 0.000 0.929 8 F CB 1.280 40.406 39.000 0.211 0.000 1.237 8 F HN 0.459 nan 8.300 nan 0.000 0.468 9 K N 4.233 124.784 120.400 0.252 0.000 2.358 9 K HA 0.524 4.844 4.320 -0.000 0.000 0.260 9 K C -1.238 175.526 176.600 0.273 0.000 0.956 9 K CA -0.610 55.764 56.287 0.145 0.000 0.834 9 K CB 1.185 33.728 32.500 0.072 0.000 1.102 9 K HN 0.885 nan 8.250 nan 0.000 0.431 10 I N 4.965 125.718 120.570 0.305 0.000 2.347 10 I HA 0.021 4.191 4.170 -0.000 0.000 0.294 10 I C 0.654 176.889 176.117 0.197 0.000 1.090 10 I CA 0.076 61.549 61.300 0.288 0.000 1.314 10 I CB 0.885 39.073 38.000 0.314 0.000 1.423 10 I HN 0.772 nan 8.210 nan 0.000 0.503 11 E N 4.423 124.731 120.200 0.181 0.000 2.250 11 E HA 0.247 4.597 4.350 -0.000 0.000 0.192 11 E C 0.423 177.105 176.600 0.137 0.000 0.986 11 E CA 0.236 56.718 56.400 0.135 0.000 0.849 11 E CB 0.465 30.234 29.700 0.115 0.000 0.797 11 E HN 0.776 nan 8.360 nan 0.000 0.482 12 A N 0.155 123.088 122.820 0.188 0.000 2.610 12 A HA 0.817 5.137 4.320 -0.000 0.000 0.291 12 A C -1.695 176.046 177.584 0.262 0.000 1.086 12 A CA -0.278 51.873 52.037 0.190 0.000 0.677 12 A CB 1.583 20.650 19.000 0.113 0.000 1.278 12 A HN 0.059 nan 8.150 nan 0.000 0.414 13 A N 0.499 123.467 122.820 0.246 0.000 2.488 13 A HA 0.740 5.060 4.320 -0.000 0.000 0.298 13 A C -1.055 176.674 177.584 0.242 0.000 1.044 13 A CA -0.353 51.824 52.037 0.233 0.000 0.693 13 A CB 1.160 20.261 19.000 0.169 0.000 1.272 13 A HN 0.713 nan 8.150 nan 0.000 0.402 14 E N 1.418 121.744 120.200 0.209 0.000 2.199 14 E HA 0.544 4.894 4.350 -0.000 0.000 0.269 14 E C -1.214 175.463 176.600 0.129 0.000 0.899 14 E CA -0.467 56.033 56.400 0.167 0.000 0.772 14 E CB 2.330 32.125 29.700 0.158 0.000 1.155 14 E HN 0.586 nan 8.360 nan 0.000 0.408 15 I N 3.003 123.651 120.570 0.131 0.000 2.339 15 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 15 I C -0.833 175.313 176.117 0.047 0.000 0.994 15 I CA -0.831 60.519 61.300 0.085 0.000 1.191 15 I CB 1.383 39.445 38.000 0.103 0.000 1.343 15 I HN 0.168 nan 8.210 nan 0.000 0.458 16 V N 7.275 127.202 119.914 0.021 0.000 2.443 16 V HA 0.349 4.469 4.120 -0.000 0.000 0.293 16 V C -0.186 175.895 176.094 -0.022 0.000 1.021 16 V CA -0.722 61.576 62.300 -0.003 0.000 0.848 16 V CB 1.906 33.723 31.823 -0.009 0.000 0.998 16 V HN 0.359 nan 8.190 nan 0.000 0.424 17 V N 4.204 124.100 119.914 -0.030 0.000 2.370 17 V HA 0.840 4.960 4.120 -0.000 0.000 0.279 17 V C 0.491 176.547 176.094 -0.064 0.000 1.029 17 V CA -0.210 62.065 62.300 -0.041 0.000 0.870 17 V CB 1.334 33.140 31.823 -0.029 0.000 0.984 17 V HN 1.004 nan 8.190 nan 0.000 0.451 18 A N 5.392 128.161 122.820 -0.085 0.000 2.354 18 A HA 0.936 5.256 4.320 -0.000 0.000 0.321 18 A C -0.377 177.141 177.584 -0.110 0.000 1.125 18 A CA -0.911 51.054 52.037 -0.120 0.000 0.799 18 A CB 1.608 20.507 19.000 -0.168 0.000 1.293 18 A HN 0.772 nan 8.150 nan 0.000 0.452 19 R N 0.816 121.251 120.500 -0.108 0.000 2.561 19 R HA 0.643 4.983 4.340 -0.000 0.000 0.297 19 R C -2.212 174.036 176.300 -0.086 0.000 0.969 19 R CA -0.590 55.474 56.100 -0.060 0.000 0.879 19 R CB 1.173 31.482 30.300 0.015 0.000 1.178 19 R HN 0.541 nan 8.270 nan 0.000 0.445 20 L N 5.864 127.020 121.223 -0.112 0.000 2.385 20 L HA 0.563 4.903 4.340 -0.000 0.000 0.273 20 L C -2.356 174.470 176.870 -0.073 0.000 0.990 20 L CA -2.328 52.424 54.840 -0.148 0.000 0.821 20 L CB 1.960 43.724 42.059 -0.491 0.000 1.279 20 L HN 0.588 nan 8.230 nan 0.000 0.412 21 P HA 0.234 nan 4.420 nan 0.000 0.271 21 P C -1.071 176.222 177.300 -0.012 0.000 1.218 21 P CA -0.397 62.472 63.100 -0.385 0.000 0.780 21 P CB 0.710 32.241 31.700 -0.282 0.000 0.901 22 L N 3.473 124.625 121.223 -0.118 0.000 2.282 22 L HA 0.271 4.611 4.340 -0.000 0.000 0.288 22 L C 1.295 178.020 176.870 -0.241 0.000 1.033 22 L CA -0.043 54.715 54.840 -0.137 0.000 0.807 22 L CB 0.819 42.752 42.059 -0.210 0.000 1.209 22 L HN 0.230 nan 8.230 nan 0.000 0.423 23 K N 3.923 124.139 120.400 -0.306 0.000 2.057 23 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 23 K C 0.109 176.663 176.600 -0.077 0.000 1.049 23 K CA 1.308 57.505 56.287 -0.150 0.000 0.931 23 K CB -0.171 32.273 32.500 -0.093 0.000 0.714 23 K HN 0.590 nan 8.250 nan 0.000 0.440 24 F N -0.068 119.834 119.950 -0.079 0.000 2.507 24 F HA 0.419 4.946 4.527 0.000 0.000 0.327 24 F C 0.013 175.834 175.800 0.036 0.000 1.068 24 F CA -1.720 56.261 58.000 -0.031 0.000 0.965 24 F CB 0.628 39.592 39.000 -0.060 0.000 1.192 24 F HN -0.285 nan 8.300 nan 0.000 0.476 25 R N 2.948 123.606 120.500 0.263 0.000 2.242 25 R HA 0.252 4.592 4.340 -0.000 0.000 0.334 25 R C -1.917 174.607 176.300 0.372 0.000 1.071 25 R CA -0.278 55.952 56.100 0.216 0.000 0.922 25 R CB 0.011 30.386 30.300 0.126 0.000 1.023 25 R HN 0.773 nan 8.270 nan 0.000 0.458 26 F N 4.887 124.945 119.950 0.180 0.000 2.303 26 F HA 0.171 4.698 4.527 -0.000 0.000 0.368 26 F C 0.992 176.822 175.800 0.050 0.000 1.105 26 F CA -0.903 57.216 58.000 0.199 0.000 1.153 26 F CB 0.974 40.136 39.000 0.271 0.000 1.362 26 F HN 0.776 nan 8.300 nan 0.000 0.511 27 E N 2.697 122.751 120.200 -0.244 0.000 1.997 27 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 27 E C 0.050 176.367 176.600 -0.470 0.000 0.990 27 E CA 1.394 57.632 56.400 -0.270 0.000 0.845 27 E CB 0.057 29.630 29.700 -0.211 0.000 0.795 27 E HN 0.598 nan 8.360 nan 0.000 0.479 28 T N -1.206 113.012 114.554 -0.561 0.000 0.541 28 T HA -0.188 4.162 4.350 -0.000 0.000 0.774 28 T C 0.623 175.064 174.700 -0.432 0.000 0.992 28 T CA 0.502 62.239 62.100 -0.605 0.000 4.077 28 T CB -0.849 67.410 68.868 -1.015 0.000 2.303 28 T HN 0.517 nan 8.240 nan 0.000 0.398 29 S N 0.756 116.275 115.700 -0.302 0.000 2.474 29 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 29 S C 1.409 175.985 174.600 -0.041 0.000 0.997 29 S CA 1.544 59.670 58.200 -0.125 0.000 0.949 29 S CB -0.452 62.733 63.200 -0.027 0.000 0.766 29 S HN 0.922 nan 8.310 nan 0.000 0.517 30 F N 0.033 119.988 119.950 0.010 0.000 2.678 30 F HA 0.752 5.279 4.527 -0.000 0.000 0.305 30 F C 0.755 176.563 175.800 0.013 0.000 1.090 30 F CA -0.810 57.197 58.000 0.012 0.000 1.272 30 F CB -0.176 38.839 39.000 0.026 0.000 1.060 30 F HN 0.367 nan 8.300 nan 0.000 0.576 31 G N -0.225 108.573 108.800 -0.003 0.000 2.368 31 G HA2 0.365 4.325 3.960 -0.000 0.000 0.269 31 G HA3 0.365 4.325 3.960 -0.000 0.000 0.269 31 G C -2.022 172.841 174.900 -0.061 0.000 1.291 31 G CA -0.198 44.931 45.100 0.048 0.000 0.903 31 G HN 0.508 nan 8.290 nan 0.000 0.483 32 V N 0.286 120.212 119.914 0.019 0.000 2.569 32 V HA 0.750 4.870 4.120 -0.000 0.000 0.301 32 V C -0.856 175.299 176.094 0.101 0.000 1.044 32 V CA -0.429 61.882 62.300 0.018 0.000 0.874 32 V CB 1.545 33.371 31.823 0.005 0.000 1.002 32 V HN 0.841 nan 8.190 nan 0.000 0.424 33 Q N 2.966 122.862 119.800 0.160 0.000 2.322 33 Q HA 0.484 4.824 4.340 -0.000 0.000 0.265 33 Q C 0.412 176.518 176.000 0.176 0.000 0.985 33 Q CA 0.097 56.023 55.803 0.204 0.000 0.849 33 Q CB 2.114 31.023 28.738 0.285 0.000 1.274 33 Q HN 0.987 nan 8.270 nan 0.000 0.449 34 T N -1.443 113.215 114.554 0.173 0.000 2.959 34 T HA 0.244 4.594 4.350 -0.000 0.000 0.254 34 T C 0.467 175.300 174.700 0.221 0.000 1.003 34 T CA 0.073 62.277 62.100 0.173 0.000 0.950 34 T CB 0.337 69.334 68.868 0.216 0.000 1.090 34 T HN 0.486 nan 8.240 nan 0.000 0.503 35 H N 0.315 119.433 119.070 0.081 0.000 2.908 35 H HA 0.743 5.299 4.556 0.000 0.000 0.350 35 H C -1.364 174.037 175.328 0.122 0.000 1.217 35 H CA -1.010 55.099 56.048 0.101 0.000 1.168 35 H CB 2.502 32.304 29.762 0.066 0.000 1.891 35 H HN -0.007 nan 8.280 nan 0.000 0.566 36 K N 0.993 121.530 120.400 0.228 0.000 2.535 36 K HA 0.319 4.639 4.320 -0.000 0.000 0.250 36 K C -1.865 174.764 176.600 0.048 0.000 0.948 36 K CA -0.496 55.881 56.287 0.149 0.000 0.796 36 K CB 1.700 34.333 32.500 0.223 0.000 1.216 36 K HN 0.241 nan 8.250 nan 0.000 0.432 37 V N 4.438 124.373 119.914 0.036 0.000 2.465 37 V HA 0.410 4.530 4.120 -0.000 0.000 0.279 37 V C -0.596 175.476 176.094 -0.037 0.000 1.045 37 V CA -0.771 61.524 62.300 -0.008 0.000 0.938 37 V CB 1.498 33.324 31.823 0.004 0.000 0.986 37 V HN 0.565 nan 8.190 nan 0.000 0.467 38 V N 7.356 127.225 119.914 -0.075 0.000 2.305 38 V HA 0.328 4.448 4.120 -0.000 0.000 0.275 38 V C -2.553 173.502 176.094 -0.066 0.000 1.020 38 V CA -1.788 60.459 62.300 -0.089 0.000 0.811 38 V CB 1.399 33.128 31.823 -0.157 0.000 1.031 38 V HN 0.760 nan 8.190 nan 0.000 0.439 39 P HA 0.415 nan 4.420 nan 0.000 0.287 39 P C -0.668 176.616 177.300 -0.028 0.000 1.307 39 P CA -0.070 63.011 63.100 -0.031 0.000 0.777 39 P CB 0.783 32.470 31.700 -0.021 0.000 0.883 40 L N 3.797 125.007 121.223 -0.022 0.000 2.325 40 L HA 0.584 4.924 4.340 -0.000 0.000 0.278 40 L C -0.165 176.708 176.870 0.005 0.000 1.023 40 L CA -1.084 53.749 54.840 -0.012 0.000 0.811 40 L CB 1.599 43.649 42.059 -0.016 0.000 1.249 40 L HN 0.213 nan 8.230 nan 0.000 0.431 41 L N 4.100 125.329 121.223 0.009 0.000 2.356 41 L HA 0.594 4.934 4.340 -0.000 0.000 0.277 41 L C -0.822 176.056 176.870 0.012 0.000 0.996 41 L CA 0.014 54.867 54.840 0.021 0.000 0.822 41 L CB 1.455 43.526 42.059 0.020 0.000 1.256 41 L HN 0.361 nan 8.230 nan 0.000 0.413 42 I N 6.116 126.691 120.570 0.009 0.000 2.378 42 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 42 I C -0.745 175.320 176.117 -0.086 0.000 0.992 42 I CA -0.592 60.671 61.300 -0.063 0.000 1.154 42 I CB 1.512 39.473 38.000 -0.065 0.000 1.315 42 I HN 0.446 nan 8.210 nan 0.000 0.448 43 L N 5.721 126.864 121.223 -0.134 0.000 2.325 43 L HA 0.537 4.877 4.340 -0.000 0.000 0.278 43 L C -0.433 176.307 176.870 -0.218 0.000 1.023 43 L CA -0.747 54.051 54.840 -0.071 0.000 0.811 43 L CB 1.351 43.416 42.059 0.011 0.000 1.249 43 L HN 0.512 nan 8.230 nan 0.000 0.431 44 H N 1.556 120.675 119.070 0.081 0.000 2.495 44 H HA 0.731 5.286 4.556 -0.000 0.000 0.348 44 H C -0.236 175.152 175.328 0.100 0.000 1.113 44 H CA -0.528 55.565 56.048 0.074 0.000 1.195 44 H CB 2.347 32.147 29.762 0.063 0.000 1.521 44 H HN 0.786 nan 8.280 nan 0.000 0.509 45 G N 1.332 110.250 108.800 0.195 0.000 2.473 45 G HA2 0.164 4.124 3.960 -0.000 0.000 0.298 45 G HA3 0.164 4.124 3.960 -0.000 0.000 0.298 45 G C -0.796 174.193 174.900 0.148 0.000 1.575 45 G CA -0.865 44.348 45.100 0.189 0.000 0.846 45 G HN 0.466 nan 8.290 nan 0.000 0.585 46 E N -0.538 119.747 120.200 0.141 0.000 2.539 46 E HA -0.272 4.078 4.350 -0.000 0.000 0.253 46 E C 1.465 178.111 176.600 0.078 0.000 1.145 46 E CA 1.960 58.426 56.400 0.110 0.000 0.738 46 E CB -1.578 28.200 29.700 0.129 0.000 1.308 46 E HN 2.615 nan 8.360 nan 0.000 0.409 47 G N -1.717 107.132 108.800 0.082 0.000 2.155 47 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.257 47 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.257 47 G C 0.486 175.422 174.900 0.060 0.000 0.983 47 G CA 1.144 46.284 45.100 0.067 0.000 0.676 47 G HN 1.021 nan 8.290 nan 0.000 0.528 48 V N -3.373 116.576 119.914 0.059 0.000 3.164 48 V HA 0.975 5.095 4.120 -0.000 0.000 0.313 48 V C -0.324 175.781 176.094 0.020 0.000 1.188 48 V CA -0.319 61.998 62.300 0.027 0.000 1.058 48 V CB 1.854 33.669 31.823 -0.014 0.000 1.110 48 V HN 1.028 nan 8.190 nan 0.000 0.453 49 Q N 0.502 120.279 119.800 -0.037 0.000 2.389 49 Q HA 0.788 5.128 4.340 -0.000 0.000 0.277 49 Q C -0.557 175.381 176.000 -0.104 0.000 1.082 49 Q CA -0.616 55.107 55.803 -0.133 0.000 0.810 49 Q CB 2.349 30.938 28.738 -0.247 0.000 1.374 49 Q HN 1.254 nan 8.270 nan 0.000 0.422 50 G N 0.773 109.508 108.800 -0.109 0.000 2.388 50 G HA2 0.578 4.538 3.960 -0.000 0.000 0.330 50 G HA3 0.578 4.538 3.960 -0.000 0.000 0.330 50 G C -1.071 173.818 174.900 -0.018 0.000 1.142 50 G CA -0.650 44.427 45.100 -0.039 0.000 0.908 50 G HN 0.412 nan 8.290 nan 0.000 0.473 51 V N 0.678 120.626 119.914 0.056 0.000 2.588 51 V HA 0.840 4.960 4.120 -0.000 0.000 0.304 51 V C 0.208 176.424 176.094 0.202 0.000 1.042 51 V CA -0.640 61.707 62.300 0.078 0.000 0.877 51 V CB 1.125 32.978 31.823 0.051 0.000 0.996 51 V HN 1.207 nan 8.190 nan 0.000 0.425 52 A N 3.371 126.247 122.820 0.093 0.000 2.485 52 A HA 0.939 5.259 4.320 -0.000 0.000 0.292 52 A C -0.880 176.687 177.584 -0.028 0.000 1.147 52 A CA -0.657 51.376 52.037 -0.007 0.000 0.750 52 A CB 2.027 20.947 19.000 -0.133 0.000 1.331 52 A HN 0.889 nan 8.150 nan 0.000 0.419 53 E N 0.787 120.945 120.200 -0.071 0.000 2.224 53 E HA 0.533 4.883 4.350 -0.000 0.000 0.265 53 E C 0.073 176.636 176.600 -0.062 0.000 0.878 53 E CA -0.692 55.681 56.400 -0.046 0.000 0.759 53 E CB 1.616 31.300 29.700 -0.026 0.000 1.164 53 E HN 0.974 nan 8.360 nan 0.000 0.414 54 G N 1.724 110.499 108.800 -0.042 0.000 2.398 54 G HA2 0.151 4.111 3.960 -0.000 0.000 0.246 54 G HA3 0.151 4.111 3.960 -0.000 0.000 0.246 54 G C 0.682 175.563 174.900 -0.032 0.000 1.289 54 G CA 0.176 45.256 45.100 -0.034 0.000 0.869 54 G HN 0.621 nan 8.290 nan 0.000 0.543 55 T N 0.353 114.889 114.554 -0.030 0.000 3.092 55 T HA 0.205 4.555 4.350 -0.000 0.000 0.258 55 T C 1.116 175.809 174.700 -0.010 0.000 1.031 55 T CA -0.405 61.678 62.100 -0.029 0.000 0.925 55 T CB -0.086 68.754 68.868 -0.048 0.000 1.036 55 T HN 0.524 nan 8.240 nan 0.000 0.544 56 M N 1.276 120.875 119.600 -0.002 0.000 2.241 56 M HA 0.552 5.032 4.480 -0.000 0.000 0.335 56 M C -0.628 175.673 176.300 0.003 0.000 1.122 56 M CA -0.174 55.130 55.300 0.005 0.000 1.164 56 M CB 0.255 32.854 32.600 -0.001 0.000 1.459 56 M HN 0.036 nan 8.290 nan 0.000 0.461 57 E N 1.299 121.501 120.200 0.003 0.000 2.250 57 E HA 0.614 4.964 4.350 -0.000 0.000 0.265 57 E C 0.882 177.479 176.600 -0.003 0.000 1.033 57 E CA -0.418 55.988 56.400 0.010 0.000 0.888 57 E CB 1.161 30.869 29.700 0.015 0.000 1.151 57 E HN 0.775 nan 8.360 nan 0.000 0.412 58 A N 1.765 124.588 122.820 0.005 0.000 1.933 58 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 58 A C 0.716 178.291 177.584 -0.014 0.000 1.175 58 A CA 1.310 53.344 52.037 -0.005 0.000 0.628 58 A CB -0.123 18.878 19.000 0.002 0.000 0.814 58 A HN 0.433 nan 8.150 nan 0.000 0.444 59 R N -0.645 119.847 120.500 -0.014 0.000 2.740 59 R HA 0.405 4.745 4.340 -0.000 0.000 0.282 59 R C -2.992 173.271 176.300 -0.062 0.000 0.969 59 R CA -2.244 53.838 56.100 -0.030 0.000 0.918 59 R CB 1.438 31.730 30.300 -0.015 0.000 1.175 59 R HN 0.018 nan 8.270 nan 0.000 0.464 60 P HA 0.126 nan 4.420 nan 0.000 0.260 60 P C -0.415 176.740 177.300 -0.241 0.000 1.651 60 P CA 0.211 63.212 63.100 -0.166 0.000 1.139 60 P CB 0.538 32.137 31.700 -0.169 0.000 1.756 61 M N 1.443 120.872 119.600 -0.284 0.000 2.999 61 M HA 0.046 4.526 4.480 -0.000 0.000 0.246 61 M C 1.855 177.633 176.300 -0.869 0.000 1.478 61 M CA 0.689 55.749 55.300 -0.400 0.000 1.243 61 M CB -0.186 32.297 32.600 -0.195 0.000 1.213 61 M HN 0.109 nan 8.290 nan 0.000 0.564 62 Y N 0.990 120.658 120.300 -1.053 0.000 2.243 62 Y HA 0.121 4.671 4.550 -0.000 0.000 0.293 62 Y C 1.354 176.907 175.900 -0.578 0.000 1.124 62 Y CA 1.223 58.723 58.100 -1.000 0.000 1.159 62 Y CB 0.491 38.611 38.460 -0.567 0.000 1.008 62 Y HN -0.015 nan 8.280 nan 0.000 0.527 63 R N -0.933 119.189 120.500 -0.629 0.000 3.142 63 R HA 0.080 4.420 4.340 -0.000 0.000 0.260 63 R C 0.991 176.987 176.300 -0.507 0.000 1.129 63 R CA 0.127 55.787 56.100 -0.733 0.000 0.976 63 R CB 0.535 30.506 30.300 -0.549 0.000 1.396 63 R HN 0.130 nan 8.270 nan 0.000 0.434 64 E N 0.980 120.932 120.200 -0.414 0.000 2.318 64 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 64 E C -0.602 175.921 176.600 -0.129 0.000 0.998 64 E CA 0.861 57.103 56.400 -0.264 0.000 0.859 64 E CB 0.303 29.922 29.700 -0.135 0.000 0.812 64 E HN 0.431 nan 8.360 nan 0.000 0.492 65 E N 1.318 121.464 120.200 -0.089 0.000 2.373 65 E HA 0.212 4.562 4.350 -0.000 0.000 0.263 65 E C -0.225 176.345 176.600 -0.050 0.000 1.073 65 E CA 0.156 56.529 56.400 -0.046 0.000 0.894 65 E CB 1.081 30.774 29.700 -0.012 0.000 1.008 65 E HN 0.275 nan 8.360 nan 0.000 0.420 66 T N -1.489 113.041 114.554 -0.040 0.000 2.916 66 T HA 0.380 4.730 4.350 -0.000 0.000 0.292 66 T C 1.091 175.773 174.700 -0.030 0.000 1.055 66 T CA -0.780 61.298 62.100 -0.036 0.000 1.009 66 T CB 0.772 69.617 68.868 -0.039 0.000 1.118 66 T HN 0.395 nan 8.240 nan 0.000 0.497 67 I N 1.164 121.720 120.570 -0.024 0.000 2.208 67 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 67 I C 2.943 179.043 176.117 -0.030 0.000 1.097 67 I CA 1.777 63.063 61.300 -0.023 0.000 1.363 67 I CB -0.635 37.355 38.000 -0.017 0.000 1.051 67 I HN 0.894 nan 8.210 nan 0.000 0.413 68 A N 0.804 123.605 122.820 -0.031 0.000 1.898 68 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 68 A C 2.440 179.995 177.584 -0.048 0.000 1.181 68 A CA 1.723 53.739 52.037 -0.035 0.000 0.620 68 A CB -1.320 17.662 19.000 -0.031 0.000 0.819 68 A HN 0.449 nan 8.150 nan 0.000 0.442 69 G N -0.505 108.265 108.800 -0.050 0.000 2.418 69 G HA2 0.024 3.984 3.960 -0.000 0.000 0.217 69 G HA3 0.024 3.984 3.960 -0.000 0.000 0.217 69 G C 1.717 176.564 174.900 -0.087 0.000 1.158 69 G CA 1.404 46.465 45.100 -0.065 0.000 0.771 69 G HN 0.763 nan 8.290 nan 0.000 0.545 70 A N 0.415 123.194 122.820 -0.068 0.000 1.897 70 A HA 0.208 4.528 4.320 -0.000 0.000 0.215 70 A C 2.413 179.942 177.584 -0.093 0.000 1.181 70 A CA 0.991 52.984 52.037 -0.073 0.000 0.620 70 A CB -0.321 18.662 19.000 -0.029 0.000 0.821 70 A HN 0.332 nan 8.150 nan 0.000 0.443 71 L N -0.617 120.565 121.223 -0.069 0.000 2.093 71 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 71 L C 2.359 179.169 176.870 -0.099 0.000 1.085 71 L CA 1.768 56.569 54.840 -0.064 0.000 0.755 71 L CB -0.640 41.399 42.059 -0.033 0.000 0.904 71 L HN 0.485 nan 8.230 nan 0.000 0.435 72 D N 0.473 120.811 120.400 -0.105 0.000 2.117 72 D HA -0.234 4.406 4.640 -0.000 0.000 0.197 72 D C 2.122 178.299 176.300 -0.205 0.000 0.987 72 D CA 0.942 54.867 54.000 -0.124 0.000 0.829 72 D CB 0.079 40.817 40.800 -0.103 0.000 0.961 72 D HN 0.077 nan 8.370 nan 0.000 0.460 73 L N 0.142 121.204 121.223 -0.269 0.000 2.079 73 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 73 L C 2.108 178.632 176.870 -0.577 0.000 1.081 73 L CA 1.455 56.005 54.840 -0.482 0.000 0.752 73 L CB -0.526 41.214 42.059 -0.532 0.000 0.896 73 L HN 0.225 nan 8.230 nan 0.000 0.433 74 L N -0.553 120.464 121.223 -0.343 0.000 2.027 74 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 74 L C 2.844 179.578 176.870 -0.228 0.000 1.074 74 L CA 1.815 56.534 54.840 -0.202 0.000 0.745 74 L CB -0.492 41.519 42.059 -0.081 0.000 0.898 74 L HN 0.387 nan 8.230 nan 0.000 0.433 75 R N -0.363 119.990 120.500 -0.245 0.000 2.119 75 R HA -0.019 4.321 4.340 -0.000 0.000 0.222 75 R C 1.996 178.168 176.300 -0.214 0.000 1.088 75 R CA 1.288 57.198 56.100 -0.316 0.000 0.984 75 R CB -0.716 29.460 30.300 -0.207 0.000 0.884 75 R HN 0.234 nan 8.270 nan 0.000 0.447 76 G N -0.618 108.066 108.800 -0.193 0.000 2.662 76 G HA2 0.001 3.961 3.960 -0.000 0.000 0.212 76 G HA3 0.001 3.961 3.960 -0.000 0.000 0.212 76 G C 0.749 175.547 174.900 -0.170 0.000 1.141 76 G CA 0.763 45.770 45.100 -0.154 0.000 0.797 76 G HN 0.369 nan 8.290 nan 0.000 0.531 77 T N -0.864 113.541 114.554 -0.249 0.000 3.388 77 T HA 0.202 4.552 4.350 -0.000 0.000 0.254 77 T C 1.850 176.536 174.700 -0.023 0.000 1.002 77 T CA -0.340 61.621 62.100 -0.231 0.000 1.164 77 T CB -0.229 68.311 68.868 -0.546 0.000 1.184 77 T HN 0.138 nan 8.240 nan 0.000 0.399 78 F N 1.691 121.561 119.950 -0.132 0.000 2.113 78 F HA 0.062 4.589 4.527 0.000 0.000 0.297 78 F C 2.292 178.059 175.800 -0.055 0.000 1.103 78 F CA 0.618 58.571 58.000 -0.079 0.000 1.248 78 F CB -0.268 38.681 39.000 -0.084 0.000 0.999 78 F HN 0.025 nan 8.300 nan 0.000 0.475 79 L N -0.021 121.263 121.223 0.102 0.000 2.017 79 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 79 L C -0.572 176.327 176.870 0.049 0.000 1.073 79 L CA 1.401 56.260 54.840 0.031 0.000 0.745 79 L CB -2.119 39.875 42.059 -0.108 0.000 0.894 79 L HN 0.031 nan 8.230 nan 0.000 0.432 80 P HA -0.175 nan 4.420 nan 0.000 0.218 80 P C 1.318 178.668 177.300 0.083 0.000 1.148 80 P CA 1.682 64.811 63.100 0.049 0.000 0.822 80 P CB 0.004 31.719 31.700 0.025 0.000 0.784 81 A N -0.786 122.102 122.820 0.112 0.000 2.119 81 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 81 A C 1.957 179.644 177.584 0.171 0.000 1.153 81 A CA 1.206 53.327 52.037 0.140 0.000 0.692 81 A CB -1.217 17.889 19.000 0.177 0.000 0.799 81 A HN 0.375 nan 8.150 nan 0.000 0.458 82 I N -4.555 116.118 120.570 0.172 0.000 4.032 82 I HA 0.341 4.511 4.170 -0.000 0.000 0.313 82 I C 0.141 176.406 176.117 0.247 0.000 1.272 82 I CA -0.311 61.151 61.300 0.270 0.000 1.307 82 I CB -0.015 38.074 38.000 0.148 0.000 1.155 82 I HN -0.079 nan 8.210 nan 0.000 0.431 83 L N 3.537 124.854 121.223 0.157 0.000 2.455 83 L HA 0.294 4.634 4.340 -0.000 0.000 0.272 83 L C 1.417 178.346 176.870 0.098 0.000 1.174 83 L CA 1.137 56.058 54.840 0.134 0.000 0.869 83 L CB 0.526 42.653 42.059 0.113 0.000 1.130 83 L HN 0.609 nan 8.230 nan 0.000 0.474 84 G N 1.503 110.356 108.800 0.088 0.000 2.184 84 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 84 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 84 G C 0.314 175.202 174.900 -0.020 0.000 0.975 84 G CA -0.281 44.841 45.100 0.038 0.000 0.642 84 G HN 0.529 nan 8.290 nan 0.000 0.536 85 Q N 0.304 120.086 119.800 -0.029 0.000 2.221 85 Q HA 0.619 4.959 4.340 -0.000 0.000 0.242 85 Q C -0.224 175.515 176.000 -0.435 0.000 0.940 85 Q CA 0.110 55.752 55.803 -0.269 0.000 0.896 85 Q CB 1.421 29.945 28.738 -0.357 0.000 1.226 85 Q HN 0.205 nan 8.270 nan 0.000 0.463 86 T N 1.856 115.986 114.554 -0.707 0.000 2.807 86 T HA 0.672 5.022 4.350 -0.000 0.000 0.279 86 T C -0.890 173.223 174.700 -0.978 0.000 0.993 86 T CA -0.289 61.446 62.100 -0.608 0.000 0.970 86 T CB 0.300 68.973 68.868 -0.325 0.000 0.950 86 T HN 0.248 nan 8.240 nan 0.000 0.441 87 F N 0.309 119.869 119.950 -0.650 0.000 2.588 87 F HA 0.619 5.146 4.527 -0.000 0.000 0.314 87 F C 0.991 176.347 175.800 -0.741 0.000 1.069 87 F CA -1.186 56.369 58.000 -0.742 0.000 0.931 87 F CB 1.605 40.033 39.000 -0.952 0.000 1.260 87 F HN 0.627 nan 8.300 nan 0.000 0.465 88 A N 1.378 124.023 122.820 -0.292 0.000 1.984 88 A HA 0.196 4.516 4.320 -0.000 0.000 0.214 88 A C 0.159 177.453 177.584 -0.484 0.000 1.173 88 A CA 1.170 53.053 52.037 -0.258 0.000 0.673 88 A CB -0.523 18.378 19.000 -0.165 0.000 0.830 88 A HN 0.815 nan 8.150 nan 0.000 0.453 89 N N -3.930 114.464 118.700 -0.510 0.000 3.116 89 N HA 0.321 5.061 4.740 -0.000 0.000 0.244 89 N C -3.121 172.042 175.510 -0.579 0.000 1.485 89 N CA -1.510 51.019 53.050 -0.867 0.000 0.884 89 N CB 0.273 38.275 38.487 -0.808 0.000 1.415 89 N HN -0.288 nan 8.380 nan 0.000 0.524 90 P HA -0.039 nan 4.420 nan 0.000 0.218 90 P C 0.533 177.551 177.300 -0.469 0.000 1.149 90 P CA 1.373 64.028 63.100 -0.742 0.000 0.817 90 P CB 0.282 31.040 31.700 -1.569 0.000 0.785 91 E N -0.177 119.798 120.200 -0.375 0.000 2.085 91 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 91 E C 2.149 178.650 176.600 -0.164 0.000 0.994 91 E CA 1.593 57.891 56.400 -0.170 0.000 0.801 91 E CB -1.020 28.625 29.700 -0.091 0.000 0.743 91 E HN 0.142 nan 8.360 nan 0.000 0.453 92 A N 0.427 123.137 122.820 -0.183 0.000 1.902 92 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 92 A C 2.472 179.969 177.584 -0.145 0.000 1.181 92 A CA 1.461 53.453 52.037 -0.074 0.000 0.623 92 A CB -0.765 18.245 19.000 0.017 0.000 0.818 92 A HN 0.145 nan 8.150 nan 0.000 0.443 93 V N -0.479 119.122 119.914 -0.521 0.000 2.255 93 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 93 V C 2.772 178.608 176.094 -0.431 0.000 1.051 93 V CA 2.388 64.141 62.300 -0.911 0.000 1.018 93 V CB -1.023 30.281 31.823 -0.866 0.000 0.641 93 V HN 0.633 nan 8.190 nan 0.000 0.445 94 S N -0.337 115.181 115.700 -0.304 0.000 2.383 94 S HA -0.296 4.174 4.470 -0.000 0.000 0.229 94 S C 1.825 176.334 174.600 -0.150 0.000 1.030 94 S CA 2.121 60.196 58.200 -0.209 0.000 1.002 94 S CB -0.493 62.632 63.200 -0.125 0.000 0.829 94 S HN 0.773 nan 8.310 nan 0.000 0.467 95 D N 0.181 120.517 120.400 -0.107 0.000 2.224 95 D HA 0.096 4.736 4.640 -0.000 0.000 0.205 95 D C 1.745 178.035 176.300 -0.016 0.000 0.965 95 D CA 1.033 55.005 54.000 -0.048 0.000 0.852 95 D CB -0.247 40.538 40.800 -0.026 0.000 0.947 95 D HN 0.431 nan 8.370 nan 0.000 0.494 96 A N -0.290 122.528 122.820 -0.003 0.000 2.167 96 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 96 A C 2.064 179.680 177.584 0.055 0.000 1.151 96 A CA 0.240 52.322 52.037 0.075 0.000 0.735 96 A CB -0.469 18.674 19.000 0.238 0.000 0.802 96 A HN 0.339 nan 8.150 nan 0.000 0.467 97 L N -1.328 119.873 121.223 -0.036 0.000 2.217 97 L HA 0.166 4.506 4.340 -0.000 0.000 0.211 97 L C 1.590 178.595 176.870 0.226 0.000 1.107 97 L CA 0.700 55.528 54.840 -0.020 0.000 0.783 97 L CB -0.790 40.987 42.059 -0.469 0.000 0.919 97 L HN 0.622 nan 8.230 nan 0.000 0.442 98 G N -0.908 107.961 108.800 0.116 0.000 2.472 98 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.205 98 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.205 98 G C 0.124 175.015 174.900 -0.016 0.000 1.270 98 G CA -0.141 44.999 45.100 0.067 0.000 0.974 98 G HN -0.087 nan 8.290 nan 0.000 0.542 99 S N -0.061 115.485 115.700 -0.257 0.000 2.568 99 S HA 0.440 4.910 4.470 -0.000 0.000 0.232 99 S C 0.481 174.966 174.600 -0.193 0.000 0.975 99 S CA -0.128 57.950 58.200 -0.204 0.000 0.949 99 S CB -0.320 62.756 63.200 -0.208 0.000 0.829 99 S HN 0.424 nan 8.310 nan 0.000 0.479 100 Y N 2.399 122.756 120.300 0.095 0.000 2.652 100 Y HA 0.144 4.694 4.550 -0.000 0.000 0.344 100 Y C 1.194 177.146 175.900 0.087 0.000 1.254 100 Y CA 0.100 58.261 58.100 0.100 0.000 1.480 100 Y CB 0.386 38.940 38.460 0.158 0.000 1.345 100 Y HN -0.017 nan 8.280 nan 0.000 0.617 101 R N 1.241 121.871 120.500 0.216 0.000 2.474 101 R HA 0.489 4.829 4.340 -0.000 0.000 0.295 101 R C 0.659 177.039 176.300 0.132 0.000 0.980 101 R CA -0.024 56.155 56.100 0.132 0.000 0.934 101 R CB 1.338 31.690 30.300 0.087 0.000 1.101 101 R HN 0.968 nan 8.270 nan 0.000 0.469 102 G N 2.429 111.294 108.800 0.108 0.000 2.566 102 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.280 102 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.280 102 G C -0.246 174.725 174.900 0.119 0.000 1.225 102 G CA 0.095 45.255 45.100 0.100 0.000 0.966 102 G HN 0.854 nan 8.290 nan 0.000 0.560 103 N N -0.234 118.525 118.700 0.100 0.000 2.725 103 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 103 N C 1.583 177.169 175.510 0.126 0.000 1.031 103 N CA 1.181 54.293 53.050 0.104 0.000 0.720 103 N CB -0.238 38.315 38.487 0.109 0.000 0.930 103 N HN 0.650 nan 8.380 nan 0.000 0.543 104 R N 0.330 120.885 120.500 0.091 0.000 2.092 104 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 104 R C 2.174 178.508 176.300 0.055 0.000 1.119 104 R CA 1.065 57.208 56.100 0.071 0.000 0.970 104 R CB -0.090 30.244 30.300 0.056 0.000 0.864 104 R HN 0.460 nan 8.270 nan 0.000 0.440 105 M N 0.083 119.714 119.600 0.053 0.000 2.175 105 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 105 M C 2.514 178.839 176.300 0.043 0.000 1.063 105 M CA 1.666 56.985 55.300 0.032 0.000 1.119 105 M CB -0.374 32.243 32.600 0.029 0.000 1.377 105 M HN 0.154 nan 8.290 nan 0.000 0.415 106 A N 0.755 123.625 122.820 0.083 0.000 1.877 106 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 106 A C 2.153 179.866 177.584 0.215 0.000 1.186 106 A CA 1.629 53.749 52.037 0.139 0.000 0.620 106 A CB -0.653 18.434 19.000 0.145 0.000 0.822 106 A HN 0.425 nan 8.150 nan 0.000 0.443 107 R N -0.561 120.063 120.500 0.206 0.000 2.105 107 R HA -0.110 4.230 4.340 -0.000 0.000 0.239 107 R C 2.411 178.681 176.300 -0.050 0.000 1.135 107 R CA 1.196 57.286 56.100 -0.017 0.000 0.967 107 R CB -0.481 29.773 30.300 -0.077 0.000 0.861 107 R HN 0.527 nan 8.270 nan 0.000 0.442 108 A N 0.984 123.795 122.820 -0.014 0.000 1.972 108 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 108 A C 2.145 179.694 177.584 -0.058 0.000 1.169 108 A CA 1.206 53.214 52.037 -0.047 0.000 0.635 108 A CB -0.382 18.580 19.000 -0.064 0.000 0.810 108 A HN 0.193 nan 8.150 nan 0.000 0.446 109 M N -0.777 118.805 119.600 -0.030 0.000 2.108 109 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 109 M C 2.087 178.376 176.300 -0.018 0.000 1.066 109 M CA 1.603 56.886 55.300 -0.029 0.000 1.107 109 M CB -0.478 32.125 32.600 0.006 0.000 1.356 109 M HN 0.277 nan 8.290 nan 0.000 0.406 110 V N -0.191 119.714 119.914 -0.015 0.000 2.283 110 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 110 V C 2.398 178.461 176.094 -0.050 0.000 1.039 110 V CA 1.753 64.029 62.300 -0.040 0.000 1.016 110 V CB -0.740 31.023 31.823 -0.101 0.000 0.650 110 V HN 0.470 nan 8.190 nan 0.000 0.449 111 E N 0.073 120.243 120.200 -0.051 0.000 2.051 111 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 111 E C 2.208 178.924 176.600 0.194 0.000 0.991 111 E CA 1.767 58.178 56.400 0.018 0.000 0.799 111 E CB -0.129 29.597 29.700 0.044 0.000 0.748 111 E HN 0.562 nan 8.360 nan 0.000 0.449 112 M N -0.086 119.601 119.600 0.146 0.000 2.175 112 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 112 M C 2.435 178.898 176.300 0.272 0.000 1.063 112 M CA 1.379 56.814 55.300 0.224 0.000 1.119 112 M CB -0.198 32.273 32.600 -0.215 0.000 1.377 112 M HN 0.082 nan 8.290 nan 0.000 0.415 113 A N 0.556 123.446 122.820 0.116 0.000 1.972 113 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 113 A C 2.376 180.014 177.584 0.089 0.000 1.169 113 A CA 1.868 53.973 52.037 0.113 0.000 0.635 113 A CB -0.826 18.199 19.000 0.043 0.000 0.810 113 A HN 0.491 nan 8.150 nan 0.000 0.446 114 A N -1.455 121.394 122.820 0.048 0.000 1.898 114 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 114 A C 1.964 179.503 177.584 -0.074 0.000 1.181 114 A CA 1.227 53.226 52.037 -0.063 0.000 0.620 114 A CB -0.859 18.054 19.000 -0.145 0.000 0.819 114 A HN 0.729 nan 8.150 nan 0.000 0.442 115 W N 0.068 121.414 121.300 0.077 0.000 2.335 115 W HA -0.181 4.479 4.660 -0.000 0.000 0.311 115 W C 2.057 178.617 176.519 0.067 0.000 1.213 115 W CA 1.431 58.854 57.345 0.131 0.000 1.274 115 W CB -0.198 29.377 29.460 0.192 0.000 1.148 115 W HN 0.434 nan 8.180 nan 0.000 0.498 116 D N -0.006 120.571 120.400 0.295 0.000 2.123 116 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 116 D C 2.014 178.309 176.300 -0.008 0.000 0.992 116 D CA 1.347 55.403 54.000 0.093 0.000 0.833 116 D CB -0.426 40.436 40.800 0.103 0.000 0.954 116 D HN 0.025 nan 8.370 nan 0.000 0.455 117 L N 0.324 121.522 121.223 -0.042 0.000 2.027 117 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 117 L C 2.159 178.899 176.870 -0.217 0.000 1.074 117 L CA 1.676 56.430 54.840 -0.143 0.000 0.745 117 L CB -0.888 41.055 42.059 -0.193 0.000 0.898 117 L HN 0.366 nan 8.230 nan 0.000 0.433 118 W N 0.373 121.365 121.300 -0.515 0.000 2.381 118 W HA -0.205 4.455 4.660 0.000 0.000 0.301 118 W C 2.072 178.456 176.519 -0.225 0.000 1.205 118 W CA 1.477 58.498 57.345 -0.541 0.000 1.285 118 W CB -0.214 28.902 29.460 -0.572 0.000 1.133 118 W HN 0.334 nan 8.180 nan 0.000 0.521 119 A N 1.419 124.113 122.820 -0.209 0.000 1.978 119 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 119 A C 1.999 179.419 177.584 -0.274 0.000 1.170 119 A CA 1.894 53.758 52.037 -0.288 0.000 0.636 119 A CB -0.808 18.122 19.000 -0.116 0.000 0.810 119 A HN 0.430 nan 8.150 nan 0.000 0.448 120 R N -0.811 119.569 120.500 -0.200 0.000 2.153 120 R HA -0.044 4.296 4.340 -0.000 0.000 0.218 120 R C 2.402 178.607 176.300 -0.158 0.000 1.072 120 R CA 1.488 57.495 56.100 -0.154 0.000 0.990 120 R CB -0.446 29.791 30.300 -0.106 0.000 0.889 120 R HN 0.750 nan 8.270 nan 0.000 0.452 121 T N -0.959 113.479 114.554 -0.194 0.000 2.915 121 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 121 T C 1.764 176.336 174.700 -0.212 0.000 1.071 121 T CA 0.910 62.917 62.100 -0.155 0.000 1.132 121 T CB -0.094 68.716 68.868 -0.096 0.000 0.878 121 T HN 0.131 nan 8.240 nan 0.000 0.479 122 L N 0.336 121.347 121.223 -0.353 0.000 2.375 122 L HA 0.347 4.687 4.340 -0.000 0.000 0.215 122 L C 2.123 178.867 176.870 -0.210 0.000 1.108 122 L CA 0.517 55.155 54.840 -0.338 0.000 0.830 122 L CB -0.678 41.066 42.059 -0.525 0.000 0.959 122 L HN 0.592 nan 8.230 nan 0.000 0.457 123 G N 0.893 109.583 108.800 -0.183 0.000 2.160 123 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 123 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 123 G C -0.088 174.740 174.900 -0.120 0.000 1.022 123 G CA 0.115 45.140 45.100 -0.125 0.000 0.741 123 G HN 0.131 nan 8.290 nan 0.000 0.508 124 V N 0.498 120.318 119.914 -0.156 0.000 2.628 124 V HA 0.560 4.680 4.120 -0.000 0.000 0.306 124 V C -1.912 174.103 176.094 -0.131 0.000 1.045 124 V CA -1.977 60.246 62.300 -0.127 0.000 0.905 124 V CB 2.253 33.994 31.823 -0.136 0.000 0.997 124 V HN 0.069 nan 8.190 nan 0.000 0.436 125 P HA 0.023 nan 4.420 nan 0.000 0.266 125 P C 0.568 177.743 177.300 -0.209 0.000 1.195 125 P CA -0.048 62.978 63.100 -0.123 0.000 0.768 125 P CB 0.603 32.309 31.700 0.010 0.000 0.838 126 L N 4.823 125.764 121.223 -0.470 0.000 1.994 126 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 126 L C 2.311 178.989 176.870 -0.319 0.000 1.071 126 L CA 2.671 57.243 54.840 -0.447 0.000 0.745 126 L CB -1.776 39.861 42.059 -0.704 0.000 0.892 126 L HN 0.531 nan 8.230 nan 0.000 0.431 127 G N -1.667 107.021 108.800 -0.186 0.000 2.513 127 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.219 127 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.219 127 G C 1.461 176.341 174.900 -0.034 0.000 1.160 127 G CA 1.536 46.635 45.100 -0.001 0.000 0.767 127 G HN 0.462 nan 8.290 nan 0.000 0.571 128 T N 1.105 115.658 114.554 -0.003 0.000 2.720 128 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 128 T C 2.362 177.073 174.700 0.018 0.000 1.037 128 T CA 0.980 63.090 62.100 0.017 0.000 1.144 128 T CB -0.180 68.695 68.868 0.013 0.000 0.864 128 T HN 0.165 nan 8.240 nan 0.000 0.444 129 L N 0.255 121.482 121.223 0.006 0.000 2.291 129 L HA 0.103 4.443 4.340 -0.000 0.000 0.214 129 L C 2.020 178.932 176.870 0.070 0.000 1.120 129 L CA 0.725 55.620 54.840 0.092 0.000 0.799 129 L CB -0.327 41.852 42.059 0.201 0.000 0.925 129 L HN 0.276 nan 8.230 nan 0.000 0.446 130 L N -0.934 120.237 121.223 -0.086 0.000 2.554 130 L HA 0.134 4.474 4.340 -0.000 0.000 0.226 130 L C 1.490 178.338 176.870 -0.037 0.000 1.137 130 L CA 0.704 55.454 54.840 -0.150 0.000 0.863 130 L CB -0.174 41.694 42.059 -0.319 0.000 0.985 130 L HN 0.444 nan 8.230 nan 0.000 0.451 131 G N -0.499 108.311 108.800 0.016 0.000 2.184 131 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.206 131 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.206 131 G C 0.505 175.467 174.900 0.104 0.000 0.995 131 G CA -0.361 44.785 45.100 0.076 0.000 0.651 131 G HN 0.468 nan 8.290 nan 0.000 0.511 132 G N -0.357 108.459 108.800 0.028 0.000 2.444 132 G HA2 0.616 4.576 3.960 -0.000 0.000 0.268 132 G HA3 0.616 4.576 3.960 -0.000 0.000 0.268 132 G C 0.093 175.028 174.900 0.057 0.000 1.203 132 G CA 0.239 45.324 45.100 -0.025 0.000 0.835 132 G HN 1.309 nan 8.290 nan 0.000 0.543 133 H N -1.647 117.427 119.070 0.007 0.000 2.985 133 H HA 0.349 4.905 4.556 0.000 0.000 0.246 133 H C 0.158 175.488 175.328 0.003 0.000 1.181 133 H CA -0.676 55.376 56.048 0.006 0.000 0.972 133 H CB -0.093 29.678 29.762 0.015 0.000 2.016 133 H HN 0.316 nan 8.280 nan 0.000 0.672 134 K N 1.056 121.371 120.400 -0.143 0.000 2.185 134 K HA 0.155 4.475 4.320 -0.000 0.000 0.271 134 K C 0.237 176.808 176.600 -0.048 0.000 1.013 134 K CA -0.238 56.000 56.287 -0.081 0.000 0.943 134 K CB 1.459 33.898 32.500 -0.101 0.000 0.998 134 K HN 0.413 nan 8.250 nan 0.000 0.468 135 E N 1.231 121.413 120.200 -0.030 0.000 2.460 135 E HA -0.046 4.304 4.350 -0.000 0.000 0.200 135 E C -0.200 176.366 176.600 -0.055 0.000 1.011 135 E CA 0.181 56.560 56.400 -0.035 0.000 0.912 135 E CB 0.625 30.318 29.700 -0.011 0.000 0.953 135 E HN 0.525 nan 8.360 nan 0.000 0.494 136 Q N 0.011 119.779 119.800 -0.054 0.000 2.435 136 Q HA 0.492 4.832 4.340 -0.000 0.000 0.282 136 Q C -0.876 175.094 176.000 -0.051 0.000 1.020 136 Q CA -0.960 54.808 55.803 -0.058 0.000 0.820 136 Q CB 2.024 30.737 28.738 -0.041 0.000 1.436 136 Q HN -0.038 nan 8.270 nan 0.000 0.395 137 V N -1.911 117.974 119.914 -0.049 0.000 2.680 137 V HA 0.569 4.689 4.120 -0.000 0.000 0.309 137 V C -0.420 175.677 176.094 0.006 0.000 1.052 137 V CA -0.795 61.489 62.300 -0.027 0.000 0.908 137 V CB 1.750 33.538 31.823 -0.058 0.000 1.001 137 V HN 0.877 nan 8.190 nan 0.000 0.431 138 E N 2.381 122.601 120.200 0.034 0.000 2.373 138 E HA 0.523 4.873 4.350 -0.000 0.000 0.267 138 E C -0.424 176.221 176.600 0.076 0.000 1.032 138 E CA -0.258 56.168 56.400 0.044 0.000 0.889 138 E CB 1.835 31.566 29.700 0.052 0.000 0.984 138 E HN 0.968 nan 8.360 nan 0.000 0.425 139 V N -0.939 119.026 119.914 0.085 0.000 2.971 139 V HA 0.856 4.976 4.120 -0.000 0.000 0.309 139 V C 0.004 176.220 176.094 0.204 0.000 1.130 139 V CA -0.720 61.668 62.300 0.146 0.000 0.964 139 V CB 1.725 33.659 31.823 0.184 0.000 1.029 139 V HN 0.721 nan 8.190 nan 0.000 0.427 140 G N 1.196 110.088 108.800 0.154 0.000 3.107 140 G HA2 0.850 4.810 3.960 -0.000 0.000 0.232 140 G HA3 0.850 4.810 3.960 -0.000 0.000 0.232 140 G C -0.777 174.082 174.900 -0.069 0.000 1.339 140 G CA -0.385 44.777 45.100 0.103 0.000 1.033 140 G HN 1.772 nan 8.290 nan 0.000 0.567 141 V N -1.765 117.984 119.914 -0.275 0.000 2.841 141 V HA 0.737 4.857 4.120 -0.000 0.000 0.310 141 V C -0.212 175.694 176.094 -0.313 0.000 1.090 141 V CA -0.974 61.058 62.300 -0.448 0.000 0.930 141 V CB 1.329 32.649 31.823 -0.839 0.000 1.014 141 V HN 0.900 nan 8.190 nan 0.000 0.425 142 S N 4.457 120.024 115.700 -0.222 0.000 2.448 142 S HA 0.722 5.192 4.470 -0.000 0.000 0.320 142 S C -0.637 173.900 174.600 -0.105 0.000 1.071 142 S CA -0.563 57.593 58.200 -0.074 0.000 1.113 142 S CB 0.062 63.343 63.200 0.135 0.000 0.972 142 S HN 0.659 nan 8.310 nan 0.000 0.465 143 L N 4.553 125.677 121.223 -0.164 0.000 2.325 143 L HA 0.628 4.968 4.340 -0.000 0.000 0.279 143 L C 1.376 178.188 176.870 -0.097 0.000 1.054 143 L CA -0.925 53.804 54.840 -0.186 0.000 0.804 143 L CB 1.041 42.949 42.059 -0.252 0.000 1.200 143 L HN 0.785 nan 8.230 nan 0.000 0.436 144 G N 2.256 110.984 108.800 -0.121 0.000 2.516 144 G HA2 0.385 4.345 3.960 -0.000 0.000 0.276 144 G HA3 0.385 4.345 3.960 -0.000 0.000 0.276 144 G C 0.085 174.914 174.900 -0.119 0.000 1.390 144 G CA -0.835 44.109 45.100 -0.259 0.000 1.050 144 G HN 0.439 nan 8.290 nan 0.000 0.519 145 I N 0.558 121.057 120.570 -0.118 0.000 2.556 145 I HA 0.114 4.284 4.170 -0.000 0.000 0.284 145 I C 0.530 176.664 176.117 0.028 0.000 1.114 145 I CA -0.190 61.105 61.300 -0.008 0.000 1.418 145 I CB 1.249 39.186 38.000 -0.106 0.000 1.394 145 I HN 0.339 nan 8.210 nan 0.000 0.552 146 Q N 4.151 124.111 119.800 0.266 0.000 2.547 146 Q HA 0.634 4.974 4.340 -0.000 0.000 0.181 146 Q C 0.373 176.525 176.000 0.254 0.000 1.005 146 Q CA 0.064 56.020 55.803 0.255 0.000 1.005 146 Q CB 1.323 30.226 28.738 0.274 0.000 1.574 146 Q HN 0.710 nan 8.270 nan 0.000 0.499 147 A N -0.613 122.402 122.820 0.325 0.000 1.975 147 A HA 0.375 4.695 4.320 -0.000 0.000 0.197 147 A C -0.684 177.144 177.584 0.407 0.000 1.537 147 A CA 1.114 53.274 52.037 0.205 0.000 0.972 147 A CB 0.304 19.350 19.000 0.077 0.000 1.019 147 A HN 0.712 nan 8.150 nan 0.000 0.488 148 D N -2.876 117.719 120.400 0.324 0.000 2.769 148 D HA 0.065 4.705 4.640 -0.000 0.000 0.309 148 D C 0.120 176.463 176.300 0.072 0.000 1.315 148 D CA -0.250 53.883 54.000 0.221 0.000 0.780 148 D CB -0.271 40.626 40.800 0.162 0.000 1.312 148 D HN -0.112 nan 8.370 nan 0.000 0.437 149 E N -0.991 119.214 120.200 0.008 0.000 2.070 149 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 149 E C 0.528 177.117 176.600 -0.018 0.000 1.004 149 E CA 1.644 58.022 56.400 -0.036 0.000 0.805 149 E CB 0.118 29.790 29.700 -0.047 0.000 0.744 149 E HN 0.382 nan 8.360 nan 0.000 0.451 150 Q N -1.659 118.142 119.800 0.001 0.000 2.263 150 Q HA 0.319 4.659 4.340 -0.000 0.000 0.337 150 Q C -0.492 175.518 176.000 0.017 0.000 0.906 150 Q CA 0.074 55.876 55.803 -0.002 0.000 1.124 150 Q CB 1.110 29.841 28.738 -0.012 0.000 1.255 150 Q HN 0.157 nan 8.270 nan 0.000 0.435 151 A N -1.365 121.476 122.820 0.036 0.000 2.500 151 A HA 0.099 4.419 4.320 -0.000 0.000 0.210 151 A C 0.926 178.549 177.584 0.065 0.000 1.342 151 A CA 0.288 52.352 52.037 0.046 0.000 1.079 151 A CB -0.077 18.948 19.000 0.043 0.000 1.112 151 A HN 0.235 nan 8.150 nan 0.000 0.470 152 T N -0.796 113.801 114.554 0.073 0.000 3.037 152 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 152 T C 1.410 176.152 174.700 0.069 0.000 1.079 152 T CA 1.708 63.858 62.100 0.083 0.000 1.067 152 T CB -0.174 68.747 68.868 0.088 0.000 0.948 152 T HN 0.156 nan 8.240 nan 0.000 0.496 153 V N 1.698 121.659 119.914 0.077 0.000 3.380 153 V HA 0.019 4.139 4.120 -0.000 0.000 0.268 153 V C 2.026 178.201 176.094 0.136 0.000 1.168 153 V CA 0.929 63.309 62.300 0.133 0.000 1.156 153 V CB -0.404 31.500 31.823 0.135 0.000 0.785 153 V HN 0.381 nan 8.190 nan 0.000 0.487 154 D N 0.653 121.105 120.400 0.086 0.000 2.087 154 D HA -0.173 4.467 4.640 -0.000 0.000 0.192 154 D C 1.911 178.256 176.300 0.074 0.000 0.993 154 D CA 1.247 55.290 54.000 0.070 0.000 0.828 154 D CB -0.272 40.556 40.800 0.047 0.000 0.968 154 D HN 0.331 nan 8.370 nan 0.000 0.448 155 L N 0.108 121.374 121.223 0.071 0.000 2.191 155 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 155 L C 1.973 178.951 176.870 0.180 0.000 1.103 155 L CA 1.058 55.957 54.840 0.098 0.000 0.769 155 L CB -0.001 42.083 42.059 0.041 0.000 0.908 155 L HN -0.079 nan 8.230 nan 0.000 0.438 156 V N -1.163 118.807 119.914 0.092 0.000 2.599 156 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 156 V C 2.630 178.698 176.094 -0.044 0.000 1.046 156 V CA 1.336 63.644 62.300 0.013 0.000 1.065 156 V CB -0.375 31.430 31.823 -0.029 0.000 0.703 156 V HN 0.413 nan 8.190 nan 0.000 0.464 157 R N 0.264 120.833 120.500 0.115 0.000 2.080 157 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 157 R C 2.497 178.821 176.300 0.040 0.000 1.137 157 R CA 1.980 58.198 56.100 0.197 0.000 0.943 157 R CB -0.254 30.201 30.300 0.259 0.000 0.846 157 R HN 0.326 nan 8.270 nan 0.000 0.431 158 R N -1.378 119.119 120.500 -0.005 0.000 2.117 158 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 158 R C 1.942 178.103 176.300 -0.232 0.000 1.143 158 R CA 2.161 58.175 56.100 -0.142 0.000 0.968 158 R CB -0.201 29.950 30.300 -0.249 0.000 0.863 158 R HN 0.480 nan 8.270 nan 0.000 0.444 159 H N -1.823 117.216 119.070 -0.052 0.000 2.520 159 H HA 0.065 4.621 4.556 0.000 0.000 0.279 159 H C 1.795 177.135 175.328 0.020 0.000 0.990 159 H CA 0.830 56.880 56.048 0.003 0.000 1.288 159 H CB 0.454 30.133 29.762 -0.139 0.000 1.446 159 H HN -0.066 nan 8.280 nan 0.000 0.538 160 V N 0.717 120.597 119.914 -0.056 0.000 2.548 160 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 160 V C 1.769 177.829 176.094 -0.056 0.000 1.055 160 V CA 1.646 63.856 62.300 -0.150 0.000 1.065 160 V CB -0.264 31.268 31.823 -0.485 0.000 0.681 160 V HN 0.465 nan 8.190 nan 0.000 0.462 161 E N -0.225 119.960 120.200 -0.026 0.000 2.265 161 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 161 E C 2.079 178.660 176.600 -0.033 0.000 0.996 161 E CA 0.714 57.108 56.400 -0.009 0.000 0.832 161 E CB -0.030 29.668 29.700 -0.004 0.000 0.756 161 E HN 0.514 nan 8.360 nan 0.000 0.491 162 Q N -0.872 118.910 119.800 -0.031 0.000 2.425 162 Q HA 0.061 4.401 4.340 -0.000 0.000 0.204 162 Q C 1.160 177.050 176.000 -0.184 0.000 0.933 162 Q CA 0.755 56.507 55.803 -0.086 0.000 0.939 162 Q CB 1.135 29.854 28.738 -0.030 0.000 1.044 162 Q HN 0.401 nan 8.270 nan 0.000 0.513 163 G N 0.489 109.223 108.800 -0.110 0.000 2.136 163 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.242 163 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.242 163 G C -0.266 174.544 174.900 -0.150 0.000 0.989 163 G CA -0.177 44.847 45.100 -0.126 0.000 0.682 163 G HN 0.339 nan 8.290 nan 0.000 0.522 164 Y N -0.028 120.246 120.300 -0.043 0.000 2.717 164 Y HA 0.227 4.777 4.550 0.000 0.000 0.330 164 Y C 2.036 177.897 175.900 -0.064 0.000 1.217 164 Y CA 0.577 58.651 58.100 -0.043 0.000 1.506 164 Y CB 0.446 38.887 38.460 -0.032 0.000 1.268 164 Y HN 0.149 nan 8.280 nan 0.000 0.561 165 R N 1.444 121.996 120.500 0.088 0.000 2.297 165 R HA 0.093 4.433 4.340 -0.000 0.000 0.197 165 R C 0.281 176.570 176.300 -0.019 0.000 0.943 165 R CA 0.302 56.412 56.100 0.016 0.000 1.038 165 R CB 0.297 30.603 30.300 0.010 0.000 0.957 165 R HN 0.379 nan 8.270 nan 0.000 0.484 166 R N 0.879 121.360 120.500 -0.031 0.000 2.566 166 R HA 0.249 4.589 4.340 -0.000 0.000 0.271 166 R C -1.699 174.518 176.300 -0.138 0.000 1.071 166 R CA -0.523 55.509 56.100 -0.114 0.000 0.915 166 R CB 1.316 31.510 30.300 -0.176 0.000 1.228 166 R HN -0.069 nan 8.270 nan 0.000 0.449 167 I N 3.622 124.088 120.570 -0.173 0.000 2.377 167 I HA 0.380 4.550 4.170 -0.000 0.000 0.293 167 I C -0.031 175.964 176.117 -0.204 0.000 0.987 167 I CA -0.624 60.559 61.300 -0.197 0.000 1.185 167 I CB 1.631 39.513 38.000 -0.197 0.000 1.341 167 I HN 0.505 nan 8.210 nan 0.000 0.455 168 K N 7.572 127.856 120.400 -0.193 0.000 2.502 168 K HA 0.589 4.909 4.320 -0.000 0.000 0.254 168 K C -1.678 174.860 176.600 -0.103 0.000 0.947 168 K CA -0.539 55.663 56.287 -0.142 0.000 0.834 168 K CB 1.321 33.757 32.500 -0.107 0.000 1.112 168 K HN 0.546 nan 8.250 nan 0.000 0.427 169 L N 4.504 125.680 121.223 -0.079 0.000 2.275 169 L HA 0.390 4.730 4.340 -0.000 0.000 0.288 169 L C 0.261 177.128 176.870 -0.005 0.000 1.046 169 L CA -1.021 53.787 54.840 -0.053 0.000 0.805 169 L CB 1.118 43.139 42.059 -0.064 0.000 1.193 169 L HN 0.457 nan 8.230 nan 0.000 0.426 170 K N 5.063 125.455 120.400 -0.012 0.000 2.298 170 K HA 0.510 4.830 4.320 -0.000 0.000 0.280 170 K C -0.259 176.376 176.600 0.060 0.000 1.032 170 K CA -0.068 56.217 56.287 -0.003 0.000 0.958 170 K CB 1.578 33.996 32.500 -0.136 0.000 0.978 170 K HN 0.626 nan 8.250 nan 0.000 0.472 171 I N -1.474 119.160 120.570 0.106 0.000 3.279 171 I HA 0.634 4.804 4.170 -0.000 0.000 0.315 171 I C -0.972 175.251 176.117 0.176 0.000 1.187 171 I CA -1.074 60.333 61.300 0.178 0.000 0.953 171 I CB 2.572 40.671 38.000 0.165 0.000 1.279 171 I HN 0.585 nan 8.210 nan 0.000 0.465 172 K N 0.035 120.558 120.400 0.205 0.000 2.672 172 K HA 0.547 4.867 4.320 -0.000 0.000 0.295 172 K C -3.305 173.329 176.600 0.056 0.000 1.042 172 K CA -1.524 54.779 56.287 0.027 0.000 0.869 172 K CB 1.336 33.825 32.500 -0.018 0.000 1.541 172 K HN 0.342 nan 8.250 nan 0.000 0.396 173 P HA 0.168 nan 4.420 nan 0.000 0.282 173 P C -0.434 176.902 177.300 0.059 0.000 1.262 173 P CA -0.063 63.037 63.100 -0.000 0.000 0.773 173 P CB 1.090 32.718 31.700 -0.121 0.000 0.879 174 G N 3.570 112.451 108.800 0.135 0.000 3.102 174 G HA2 0.339 4.299 3.960 -0.000 0.000 0.345 174 G HA3 0.339 4.299 3.960 -0.000 0.000 0.345 174 G C -1.206 173.882 174.900 0.313 0.000 1.200 174 G CA -0.398 44.817 45.100 0.191 0.000 1.163 174 G HN 0.586 nan 8.290 nan 0.000 0.465 175 W N 4.511 125.845 121.300 0.056 0.000 1.982 175 W HA 0.226 4.886 4.660 0.000 0.000 0.299 175 W C -0.977 175.580 176.519 0.064 0.000 1.011 175 W CA -0.700 56.667 57.345 0.037 0.000 1.324 175 W CB 1.005 30.466 29.460 0.003 0.000 1.372 175 W HN 0.772 nan 8.180 nan 0.000 0.323 176 D N -0.734 119.569 120.400 -0.162 0.000 2.900 176 D HA 0.001 4.641 4.640 -0.000 0.000 0.175 176 D C 1.392 177.574 176.300 -0.197 0.000 1.476 176 D CA 0.199 54.135 54.000 -0.107 0.000 1.488 176 D CB 0.258 41.115 40.800 0.095 0.000 1.426 176 D HN -0.133 nan 8.370 nan 0.000 0.295 177 V N 0.861 120.697 119.914 -0.131 0.000 2.667 177 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 177 V C 2.083 178.040 176.094 -0.229 0.000 1.065 177 V CA 1.693 63.939 62.300 -0.089 0.000 1.083 177 V CB -0.920 30.919 31.823 0.026 0.000 0.692 177 V HN 0.142 nan 8.190 nan 0.000 0.468 178 Q N 0.524 120.116 119.800 -0.348 0.000 1.856 178 Q HA -0.126 4.214 4.340 -0.000 0.000 0.228 178 Q C 0.016 175.699 176.000 -0.528 0.000 0.987 178 Q CA 1.927 57.450 55.803 -0.466 0.000 0.873 178 Q CB -1.954 26.385 28.738 -0.665 0.000 0.928 178 Q HN 0.389 nan 8.270 nan 0.000 0.425 179 P HA -0.242 nan 4.420 nan 0.000 0.219 179 P C 1.209 178.314 177.300 -0.325 0.000 1.153 179 P CA 1.324 64.130 63.100 -0.489 0.000 0.865 179 P CB -0.031 31.357 31.700 -0.520 0.000 0.788 180 V N -0.916 118.785 119.914 -0.355 0.000 2.407 180 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 180 V C 2.692 178.444 176.094 -0.570 0.000 1.041 180 V CA 1.466 63.544 62.300 -0.370 0.000 1.040 180 V CB -0.836 30.797 31.823 -0.316 0.000 0.671 180 V HN 0.064 nan 8.190 nan 0.000 0.455 181 R N 0.390 120.476 120.500 -0.691 0.000 2.082 181 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 181 R C 2.386 178.468 176.300 -0.364 0.000 1.136 181 R CA 1.899 57.569 56.100 -0.717 0.000 0.935 181 R CB -0.636 29.423 30.300 -0.402 0.000 0.842 181 R HN 0.455 nan 8.270 nan 0.000 0.430 182 A N 0.165 122.830 122.820 -0.259 0.000 1.894 182 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 182 A C 2.272 179.792 177.584 -0.108 0.000 1.237 182 A CA 2.671 54.618 52.037 -0.151 0.000 0.660 182 A CB -1.354 17.570 19.000 -0.127 0.000 0.835 182 A HN 0.539 nan 8.150 nan 0.000 0.461 183 T N -1.485 113.001 114.554 -0.114 0.000 2.867 183 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 183 T C 2.039 176.749 174.700 0.018 0.000 1.057 183 T CA 1.611 63.705 62.100 -0.011 0.000 1.136 183 T CB -0.159 68.681 68.868 -0.048 0.000 0.874 183 T HN 0.430 nan 8.240 nan 0.000 0.466 184 R N 1.187 121.632 120.500 -0.092 0.000 2.240 184 R HA 0.160 4.500 4.340 -0.000 0.000 0.203 184 R C 1.897 178.198 176.300 0.001 0.000 1.011 184 R CA 0.886 56.963 56.100 -0.039 0.000 1.007 184 R CB -0.092 30.154 30.300 -0.091 0.000 0.911 184 R HN 0.310 nan 8.270 nan 0.000 0.468 185 E N -1.382 118.797 120.200 -0.035 0.000 2.465 185 E HA 0.172 4.522 4.350 -0.000 0.000 0.209 185 E C 1.238 177.786 176.600 -0.087 0.000 0.951 185 E CA 0.491 56.870 56.400 -0.034 0.000 0.997 185 E CB 0.600 30.284 29.700 -0.026 0.000 1.025 185 E HN 0.309 nan 8.360 nan 0.000 0.500 186 A N 0.386 123.133 122.820 -0.121 0.000 2.015 186 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 186 A C 0.708 177.964 177.584 -0.546 0.000 1.163 186 A CA 0.913 52.776 52.037 -0.291 0.000 0.646 186 A CB -0.080 18.776 19.000 -0.241 0.000 0.806 186 A HN 0.158 nan 8.150 nan 0.000 0.448 187 F N -1.579 118.349 119.950 -0.037 0.000 2.931 187 F HA 0.327 4.854 4.527 -0.000 0.000 0.375 187 F C -2.263 173.519 175.800 -0.029 0.000 1.243 187 F CA -1.442 56.540 58.000 -0.030 0.000 1.206 187 F CB 1.921 40.901 39.000 -0.033 0.000 1.643 187 F HN -0.008 nan 8.300 nan 0.000 0.593 188 P HA 0.022 nan 4.420 nan 0.000 0.242 188 P C 0.282 177.623 177.300 0.068 0.000 1.197 188 P CA 1.038 64.179 63.100 0.069 0.000 0.765 188 P CB 0.373 32.092 31.700 0.032 0.000 0.936 189 D N -1.622 118.830 120.400 0.087 0.000 2.514 189 D HA 0.119 4.759 4.640 -0.000 0.000 0.225 189 D C 0.698 177.016 176.300 0.030 0.000 1.159 189 D CA -0.223 53.808 54.000 0.051 0.000 0.823 189 D CB 0.152 40.980 40.800 0.048 0.000 1.097 189 D HN 0.159 nan 8.370 nan 0.000 0.519 190 I N -0.617 119.970 120.570 0.029 0.000 2.754 190 I HA 0.260 4.430 4.170 -0.000 0.000 0.285 190 I C -0.037 176.051 176.117 -0.048 0.000 1.166 190 I CA -0.601 60.683 61.300 -0.027 0.000 1.417 190 I CB 0.704 38.652 38.000 -0.087 0.000 1.382 190 I HN -0.322 nan 8.210 nan 0.000 0.588 191 R N 4.367 124.828 120.500 -0.066 0.000 2.446 191 R HA 0.377 4.717 4.340 -0.000 0.000 0.314 191 R C -0.711 175.504 176.300 -0.141 0.000 1.003 191 R CA -0.195 55.847 56.100 -0.097 0.000 1.018 191 R CB 0.277 30.521 30.300 -0.094 0.000 0.945 191 R HN 0.526 nan 8.270 nan 0.000 0.419 192 L N 2.550 123.678 121.223 -0.158 0.000 2.381 192 L HA 0.607 4.947 4.340 -0.000 0.000 0.268 192 L C -0.477 176.241 176.870 -0.255 0.000 0.997 192 L CA -0.001 54.732 54.840 -0.177 0.000 0.818 192 L CB 2.341 44.332 42.059 -0.113 0.000 1.310 192 L HN 0.808 nan 8.230 nan 0.000 0.416 193 T N 1.417 115.803 114.554 -0.279 0.000 2.816 193 T HA 0.806 5.156 4.350 -0.000 0.000 0.299 193 T C -0.798 173.803 174.700 -0.165 0.000 1.230 193 T CA -0.185 61.710 62.100 -0.341 0.000 1.007 193 T CB 1.321 69.766 68.868 -0.706 0.000 1.289 193 T HN 1.046 nan 8.240 nan 0.000 0.508 194 V N -1.310 118.560 119.914 -0.073 0.000 3.001 194 V HA 0.805 4.925 4.120 -0.000 0.000 0.314 194 V C -1.218 174.959 176.094 0.137 0.000 1.099 194 V CA -0.800 61.514 62.300 0.024 0.000 0.989 194 V CB 2.072 33.911 31.823 0.026 0.000 1.040 194 V HN 0.991 nan 8.190 nan 0.000 0.434 195 D N 2.336 122.829 120.400 0.153 0.000 2.683 195 D HA 0.508 5.148 4.640 -0.000 0.000 0.309 195 D C 1.282 177.716 176.300 0.223 0.000 1.238 195 D CA 0.197 54.330 54.000 0.223 0.000 0.936 195 D CB 0.943 41.873 40.800 0.216 0.000 1.001 195 D HN 0.962 nan 8.370 nan 0.000 0.505 196 A N 2.580 125.553 122.820 0.255 0.000 2.277 196 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 196 A C 1.138 178.948 177.584 0.376 0.000 1.181 196 A CA 0.759 53.026 52.037 0.384 0.000 0.678 196 A CB -1.177 18.025 19.000 0.336 0.000 0.795 196 A HN 0.727 nan 8.150 nan 0.000 0.489 197 N N -0.760 118.112 118.700 0.287 0.000 2.834 197 N HA -0.217 4.523 4.740 -0.000 0.000 0.306 197 N C 0.547 176.212 175.510 0.259 0.000 1.120 197 N CA 0.803 54.016 53.050 0.272 0.000 0.783 197 N CB -0.530 38.083 38.487 0.210 0.000 0.997 197 N HN 0.608 nan 8.380 nan 0.000 0.590 198 S N 0.466 116.344 115.700 0.298 0.000 3.214 198 S HA -0.341 4.129 4.470 -0.000 0.000 0.342 198 S C 1.069 175.792 174.600 0.204 0.000 1.204 198 S CA 1.490 59.859 58.200 0.281 0.000 0.984 198 S CB -1.077 62.296 63.200 0.290 0.000 0.975 198 S HN 0.836 nan 8.310 nan 0.000 0.607 199 A N -1.396 121.496 122.820 0.119 0.000 2.197 199 A HA 0.498 4.818 4.320 -0.000 0.000 0.210 199 A C 0.480 177.946 177.584 -0.197 0.000 1.180 199 A CA 0.226 52.208 52.037 -0.092 0.000 0.846 199 A CB 0.099 18.932 19.000 -0.277 0.000 0.884 199 A HN 0.641 nan 8.150 nan 0.000 0.487 200 Y N 0.406 120.750 120.300 0.074 0.000 2.408 200 Y HA 0.512 5.062 4.550 0.000 0.000 0.324 200 Y C 1.203 177.110 175.900 0.011 0.000 1.302 200 Y CA 0.120 58.245 58.100 0.041 0.000 1.384 200 Y CB 0.688 39.169 38.460 0.035 0.000 1.367 200 Y HN 0.142 nan 8.280 nan 0.000 0.525 201 T N -3.042 111.622 114.554 0.183 0.000 2.888 201 T HA 0.378 4.728 4.350 -0.000 0.000 0.288 201 T C 0.530 175.260 174.700 0.049 0.000 1.063 201 T CA -0.869 61.274 62.100 0.072 0.000 1.010 201 T CB 0.690 69.586 68.868 0.047 0.000 1.214 201 T HN 0.586 nan 8.240 nan 0.000 0.533 202 L N 0.741 121.964 121.223 -0.000 0.000 2.187 202 L HA -0.031 4.309 4.340 -0.000 0.000 0.213 202 L C 3.169 180.044 176.870 0.008 0.000 1.100 202 L CA 1.498 56.331 54.840 -0.012 0.000 0.765 202 L CB -0.956 41.089 42.059 -0.024 0.000 0.904 202 L HN 0.966 nan 8.230 nan 0.000 0.437 203 A N 0.096 122.930 122.820 0.023 0.000 1.927 203 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 203 A C 1.695 179.303 177.584 0.039 0.000 1.185 203 A CA 2.194 54.250 52.037 0.030 0.000 0.639 203 A CB -0.529 18.494 19.000 0.039 0.000 0.820 203 A HN 0.448 nan 8.150 nan 0.000 0.451 204 D N -0.050 120.389 120.400 0.065 0.000 2.324 204 D HA 0.282 4.922 4.640 -0.000 0.000 0.235 204 D C 1.761 178.058 176.300 -0.004 0.000 1.095 204 D CA 0.747 54.789 54.000 0.070 0.000 0.871 204 D CB -0.116 40.800 40.800 0.194 0.000 0.906 204 D HN 0.485 nan 8.370 nan 0.000 0.522 205 A N 1.220 124.033 122.820 -0.013 0.000 1.917 205 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 205 A C 2.394 179.955 177.584 -0.040 0.000 1.182 205 A CA 2.006 54.021 52.037 -0.037 0.000 0.633 205 A CB -1.083 17.902 19.000 -0.025 0.000 0.819 205 A HN 0.335 nan 8.150 nan 0.000 0.448 206 G N -0.532 108.254 108.800 -0.022 0.000 2.446 206 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 206 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 206 G C 1.687 176.570 174.900 -0.029 0.000 1.168 206 G CA 1.402 46.489 45.100 -0.022 0.000 0.771 206 G HN 0.545 nan 8.290 nan 0.000 0.551 207 R N 0.406 120.892 120.500 -0.023 0.000 2.105 207 R HA 0.055 4.395 4.340 -0.000 0.000 0.239 207 R C 2.485 178.742 176.300 -0.071 0.000 1.135 207 R CA 1.232 57.316 56.100 -0.027 0.000 0.967 207 R CB -0.687 29.618 30.300 0.008 0.000 0.861 207 R HN 0.429 nan 8.270 nan 0.000 0.442 208 L N -0.603 120.549 121.223 -0.118 0.000 2.240 208 L HA 0.073 4.413 4.340 -0.000 0.000 0.211 208 L C 2.570 179.389 176.870 -0.085 0.000 1.106 208 L CA 0.974 55.727 54.840 -0.145 0.000 0.793 208 L CB -0.347 41.592 42.059 -0.201 0.000 0.927 208 L HN 0.190 nan 8.230 nan 0.000 0.446 209 R N 0.199 120.658 120.500 -0.068 0.000 2.237 209 R HA -0.157 4.183 4.340 -0.000 0.000 0.219 209 R C 2.157 178.409 176.300 -0.080 0.000 1.080 209 R CA 0.898 56.961 56.100 -0.062 0.000 0.995 209 R CB 0.026 30.295 30.300 -0.051 0.000 0.875 209 R HN 0.434 nan 8.270 nan 0.000 0.462 210 Q N 0.128 119.884 119.800 -0.073 0.000 2.124 210 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 210 Q C 1.845 177.759 176.000 -0.144 0.000 0.977 210 Q CA 1.375 57.124 55.803 -0.091 0.000 0.850 210 Q CB -0.024 28.697 28.738 -0.029 0.000 0.901 210 Q HN 0.407 nan 8.270 nan 0.000 0.429 211 L N 0.569 121.764 121.223 -0.046 0.000 2.549 211 L HA -0.155 4.185 4.340 -0.000 0.000 0.229 211 L C 1.076 177.906 176.870 -0.068 0.000 1.158 211 L CA 0.370 55.234 54.840 0.040 0.000 0.842 211 L CB -0.254 41.839 42.059 0.057 0.000 0.952 211 L HN 0.128 nan 8.230 nan 0.000 0.452 212 D N 0.462 120.784 120.400 -0.130 0.000 2.219 212 D HA -0.186 4.454 4.640 -0.000 0.000 0.205 212 D C 1.947 178.146 176.300 -0.169 0.000 0.970 212 D CA 0.942 54.876 54.000 -0.112 0.000 0.851 212 D CB 0.093 40.839 40.800 -0.090 0.000 0.943 212 D HN 0.538 nan 8.370 nan 0.000 0.488 213 E N -0.527 119.464 120.200 -0.347 0.000 2.502 213 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 213 E C 0.265 176.624 176.600 -0.401 0.000 1.062 213 E CA 0.369 56.527 56.400 -0.403 0.000 0.867 213 E CB -0.076 29.316 29.700 -0.514 0.000 0.888 213 E HN 0.313 nan 8.360 nan 0.000 0.510 214 Y N 0.789 121.065 120.300 -0.039 0.000 2.555 214 Y HA 0.233 4.783 4.550 -0.000 0.000 0.259 214 Y C -0.374 175.499 175.900 -0.045 0.000 1.179 214 Y CA -1.018 57.056 58.100 -0.043 0.000 1.230 214 Y CB 0.082 38.510 38.460 -0.053 0.000 1.146 214 Y HN 0.035 nan 8.280 nan 0.000 0.526 215 D N 0.790 121.221 120.400 0.052 0.000 2.705 215 D HA -0.179 4.461 4.640 -0.000 0.000 0.240 215 D C -0.843 175.456 176.300 -0.002 0.000 1.137 215 D CA 0.329 54.340 54.000 0.018 0.000 0.677 215 D CB -0.853 39.960 40.800 0.021 0.000 1.049 215 D HN 0.229 nan 8.370 nan 0.000 0.427 216 L N -0.168 121.047 121.223 -0.013 0.000 2.395 216 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 216 L C 2.093 178.906 176.870 -0.096 0.000 1.133 216 L CA -0.516 54.279 54.840 -0.076 0.000 0.812 216 L CB 0.896 42.911 42.059 -0.074 0.000 1.125 216 L HN 0.059 nan 8.230 nan 0.000 0.452 217 T N 0.087 114.518 114.554 -0.204 0.000 2.867 217 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 217 T C -0.379 174.320 174.700 -0.003 0.000 1.057 217 T CA 1.358 63.372 62.100 -0.144 0.000 1.136 217 T CB -0.258 68.459 68.868 -0.252 0.000 0.874 217 T HN 0.619 nan 8.240 nan 0.000 0.466 218 Y N -2.070 118.244 120.300 0.024 0.000 2.774 218 Y HA 0.598 5.148 4.550 -0.000 0.000 0.346 218 Y C -1.989 173.948 175.900 0.061 0.000 1.222 218 Y CA -2.272 55.861 58.100 0.055 0.000 1.088 218 Y CB 0.449 38.969 38.460 0.100 0.000 1.354 218 Y HN -0.140 nan 8.280 nan 0.000 0.455 219 I N 1.982 122.746 120.570 0.323 0.000 2.362 219 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 219 I C -0.525 175.795 176.117 0.338 0.000 0.994 219 I CA -0.587 60.863 61.300 0.249 0.000 1.158 219 I CB 1.789 39.868 38.000 0.132 0.000 1.315 219 I HN 0.673 nan 8.210 nan 0.000 0.451 220 E N 6.195 126.620 120.200 0.375 0.000 2.130 220 E HA 0.127 4.477 4.350 -0.000 0.000 0.284 220 E C -0.288 176.483 176.600 0.286 0.000 1.018 220 E CA -0.540 56.071 56.400 0.351 0.000 0.817 220 E CB 0.622 30.593 29.700 0.452 0.000 1.078 220 E HN 0.475 nan 8.360 nan 0.000 0.396 221 Q N 3.821 123.760 119.800 0.232 0.000 2.447 221 Q HA -0.161 4.179 4.340 -0.000 0.000 0.348 221 Q C -2.019 174.213 176.000 0.386 0.000 1.421 221 Q CA 0.673 56.638 55.803 0.270 0.000 0.978 221 Q CB -0.308 28.562 28.738 0.221 0.000 1.191 221 Q HN 0.533 nan 8.270 nan 0.000 0.371 222 P HA -0.122 nan 4.420 nan 0.000 0.219 222 P C 0.316 177.823 177.300 0.345 0.000 1.150 222 P CA 1.175 64.487 63.100 0.352 0.000 0.814 222 P CB 0.260 32.052 31.700 0.154 0.000 0.787 223 L N -1.460 119.881 121.223 0.196 0.000 2.585 223 L HA 0.632 4.972 4.340 -0.000 0.000 0.260 223 L C 0.849 177.829 176.870 0.183 0.000 1.085 223 L CA -1.684 53.152 54.840 -0.006 0.000 0.913 223 L CB -0.346 41.428 42.059 -0.475 0.000 1.638 223 L HN -0.233 nan 8.230 nan 0.000 0.531 224 A N 0.373 123.244 122.820 0.086 0.000 2.555 224 A HA -0.068 4.252 4.320 -0.000 0.000 0.233 224 A C 0.851 178.519 177.584 0.141 0.000 1.060 224 A CA 0.075 52.173 52.037 0.102 0.000 0.759 224 A CB -0.178 18.796 19.000 -0.043 0.000 0.995 224 A HN 0.902 nan 8.150 nan 0.000 0.506 225 W N 1.606 122.940 121.300 0.057 0.000 2.465 225 W HA -0.079 4.581 4.660 -0.000 0.000 0.268 225 W C -0.138 176.373 176.519 -0.013 0.000 1.242 225 W CA 1.218 58.564 57.345 0.002 0.000 1.248 225 W CB -0.578 28.830 29.460 -0.088 0.000 1.118 225 W HN 0.739 nan 8.180 nan 0.000 0.587 226 D N -0.263 119.626 120.400 -0.852 0.000 2.402 226 D HA 0.014 4.654 4.640 -0.000 0.000 0.216 226 D C -0.147 175.923 176.300 -0.383 0.000 1.128 226 D CA -0.130 53.361 54.000 -0.849 0.000 0.833 226 D CB -0.569 39.357 40.800 -1.457 0.000 0.971 226 D HN 0.094 nan 8.370 nan 0.000 0.503 227 D N 0.651 120.944 120.400 -0.178 0.000 2.163 227 D HA 0.220 4.860 4.640 -0.000 0.000 0.248 227 D C 0.546 176.900 176.300 0.089 0.000 1.035 227 D CA -0.519 53.462 54.000 -0.031 0.000 0.872 227 D CB 2.062 42.876 40.800 0.023 0.000 1.183 227 D HN -0.007 nan 8.370 nan 0.000 0.445 228 L N 2.632 123.877 121.223 0.037 0.000 2.624 228 L HA 0.061 4.401 4.340 -0.000 0.000 0.222 228 L C 2.277 179.186 176.870 0.066 0.000 1.046 228 L CA -0.102 54.763 54.840 0.043 0.000 0.872 228 L CB 0.053 42.091 42.059 -0.035 0.000 1.190 228 L HN 0.282 nan 8.230 nan 0.000 0.487 229 V N 0.494 120.421 119.914 0.022 0.000 2.307 229 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 229 V C 2.003 178.102 176.094 0.007 0.000 1.045 229 V CA 2.099 64.403 62.300 0.006 0.000 1.024 229 V CB -0.371 31.444 31.823 -0.014 0.000 0.651 229 V HN 0.384 nan 8.190 nan 0.000 0.449 230 D N -1.168 119.222 120.400 -0.016 0.000 2.149 230 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 230 D C 2.109 178.367 176.300 -0.071 0.000 0.990 230 D CA 1.226 55.188 54.000 -0.063 0.000 0.839 230 D CB -0.365 40.362 40.800 -0.120 0.000 0.948 230 D HN 0.517 nan 8.370 nan 0.000 0.460 231 H N 0.356 119.418 119.070 -0.014 0.000 2.353 231 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 231 H C 2.104 177.425 175.328 -0.012 0.000 1.090 231 H CA 1.373 57.417 56.048 -0.007 0.000 1.327 231 H CB -0.145 29.610 29.762 -0.011 0.000 1.383 231 H HN 0.111 nan 8.280 nan 0.000 0.508 232 A N 1.175 124.058 122.820 0.105 0.000 1.917 232 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 232 A C 2.386 179.986 177.584 0.026 0.000 1.182 232 A CA 2.104 54.168 52.037 0.045 0.000 0.633 232 A CB -0.363 18.649 19.000 0.020 0.000 0.819 232 A HN 0.395 nan 8.150 nan 0.000 0.448 233 E N -0.141 120.066 120.200 0.013 0.000 2.047 233 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 233 E C 1.798 178.397 176.600 -0.002 0.000 0.987 233 E CA 1.398 57.798 56.400 0.000 0.000 0.799 233 E CB -0.538 29.156 29.700 -0.011 0.000 0.752 233 E HN 0.417 nan 8.360 nan 0.000 0.449 234 L N 0.333 121.551 121.223 -0.008 0.000 2.079 234 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 234 L C 2.196 179.073 176.870 0.011 0.000 1.081 234 L CA 2.234 57.068 54.840 -0.010 0.000 0.752 234 L CB -0.887 41.153 42.059 -0.032 0.000 0.896 234 L HN 0.204 nan 8.230 nan 0.000 0.433 235 A N -0.733 122.105 122.820 0.031 0.000 2.015 235 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 235 A C 2.299 179.895 177.584 0.019 0.000 1.163 235 A CA 1.174 53.231 52.037 0.034 0.000 0.646 235 A CB -0.500 18.525 19.000 0.042 0.000 0.806 235 A HN 0.434 nan 8.150 nan 0.000 0.448 236 R N -0.390 120.118 120.500 0.013 0.000 2.148 236 R HA -0.002 4.338 4.340 -0.000 0.000 0.227 236 R C 1.909 178.211 176.300 0.002 0.000 1.103 236 R CA 1.156 57.260 56.100 0.007 0.000 0.983 236 R CB -0.302 30.001 30.300 0.005 0.000 0.874 236 R HN 0.554 nan 8.270 nan 0.000 0.451 237 R N 0.275 120.774 120.500 -0.001 0.000 2.246 237 R HA 0.189 4.529 4.340 -0.000 0.000 0.199 237 R C 1.019 177.313 176.300 -0.010 0.000 0.984 237 R CA 0.355 56.450 56.100 -0.007 0.000 1.015 237 R CB 0.165 30.458 30.300 -0.012 0.000 0.930 237 R HN 0.194 nan 8.270 nan 0.000 0.475 238 I N -3.744 116.822 120.570 -0.006 0.000 2.892 238 I HA 0.382 4.552 4.170 -0.000 0.000 0.306 238 I C 0.629 176.746 176.117 0.001 0.000 1.078 238 I CA -1.076 60.219 61.300 -0.009 0.000 1.032 238 I CB 2.207 40.199 38.000 -0.014 0.000 1.229 238 I HN -0.295 nan 8.210 nan 0.000 0.435 239 R N 1.117 121.614 120.500 -0.005 0.000 2.140 239 R HA 0.123 4.463 4.340 -0.000 0.000 0.213 239 R C 0.234 176.543 176.300 0.016 0.000 1.059 239 R CA 0.503 56.604 56.100 0.002 0.000 1.000 239 R CB -0.315 29.980 30.300 -0.009 0.000 0.910 239 R HN 0.713 nan 8.270 nan 0.000 0.455 240 T N 4.606 119.170 114.554 0.016 0.000 2.871 240 T HA 0.083 4.433 4.350 -0.000 0.000 0.296 240 T C -2.340 172.401 174.700 0.069 0.000 0.998 240 T CA -0.786 61.338 62.100 0.039 0.000 1.162 240 T CB 0.799 69.686 68.868 0.033 0.000 0.947 240 T HN 0.005 nan 8.240 nan 0.000 0.536 241 P HA 0.095 nan 4.420 nan 0.000 0.265 241 P C -0.415 176.980 177.300 0.158 0.000 1.187 241 P CA -0.021 63.151 63.100 0.120 0.000 0.766 241 P CB 0.397 32.189 31.700 0.155 0.000 0.820 242 L N 2.421 123.716 121.223 0.119 0.000 2.325 242 L HA 0.445 4.785 4.340 -0.000 0.000 0.279 242 L C 0.313 177.224 176.870 0.068 0.000 1.054 242 L CA -0.679 54.237 54.840 0.127 0.000 0.804 242 L CB 1.466 43.594 42.059 0.115 0.000 1.200 242 L HN 0.425 nan 8.230 nan 0.000 0.436 243 C N 5.012 124.354 119.300 0.070 0.000 2.351 243 C HA 0.604 5.064 4.460 -0.000 0.000 0.326 243 C C -0.024 174.923 174.990 -0.072 0.000 1.272 243 C CA -0.669 58.307 59.018 -0.069 0.000 1.650 243 C CB 0.043 27.659 27.740 -0.206 0.000 2.257 243 C HN 0.685 nan 8.230 nan 0.000 0.505 244 L N 5.686 126.814 121.223 -0.157 0.000 2.325 244 L HA 0.444 4.784 4.340 -0.000 0.000 0.279 244 L C 0.517 177.297 176.870 -0.151 0.000 1.054 244 L CA -0.005 54.725 54.840 -0.182 0.000 0.804 244 L CB 1.353 43.273 42.059 -0.232 0.000 1.200 244 L HN 0.770 nan 8.230 nan 0.000 0.436 245 D N 0.628 120.988 120.400 -0.067 0.000 3.074 245 D HA -0.029 4.611 4.640 -0.000 0.000 0.227 245 D C 1.423 177.746 176.300 0.039 0.000 1.553 245 D CA 0.346 54.339 54.000 -0.012 0.000 1.347 245 D CB 0.313 41.179 40.800 0.111 0.000 1.021 245 D HN 0.497 nan 8.370 nan 0.000 0.260 246 E N 0.181 120.432 120.200 0.084 0.000 2.204 246 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 246 E C 1.952 178.598 176.600 0.078 0.000 0.990 246 E CA 1.023 57.461 56.400 0.064 0.000 0.821 246 E CB -0.052 29.686 29.700 0.062 0.000 0.750 246 E HN 0.076 nan 8.360 nan 0.000 0.477 247 S N -0.356 115.350 115.700 0.010 0.000 2.522 247 S HA 0.023 4.493 4.470 -0.000 0.000 0.227 247 S C 0.367 174.934 174.600 -0.055 0.000 0.986 247 S CA 0.198 58.370 58.200 -0.046 0.000 0.929 247 S CB 0.421 63.548 63.200 -0.123 0.000 0.769 247 S HN -0.051 nan 8.310 nan 0.000 0.529 248 V N 1.764 121.651 119.914 -0.045 0.000 2.304 248 V HA 0.567 4.687 4.120 -0.000 0.000 0.278 248 V C 0.329 176.412 176.094 -0.017 0.000 1.018 248 V CA -0.422 61.846 62.300 -0.053 0.000 0.814 248 V CB 0.806 32.574 31.823 -0.092 0.000 1.021 248 V HN 0.248 nan 8.190 nan 0.000 0.440 249 A N 3.803 126.623 122.820 -0.000 0.000 2.503 249 A HA 0.697 5.017 4.320 -0.000 0.000 0.263 249 A C 0.622 178.216 177.584 0.016 0.000 1.258 249 A CA 0.512 52.563 52.037 0.023 0.000 0.936 249 A CB 0.223 19.252 19.000 0.048 0.000 1.070 249 A HN 0.976 nan 8.150 nan 0.000 0.522 250 S N -3.295 112.406 115.700 0.002 0.000 2.615 250 S HA 0.593 5.063 4.470 -0.000 0.000 0.268 250 S C 0.750 175.350 174.600 -0.000 0.000 1.146 250 S CA 0.110 58.315 58.200 0.007 0.000 0.818 250 S CB 0.738 63.945 63.200 0.013 0.000 1.111 250 S HN 1.069 nan 8.310 nan 0.000 0.465 251 A N 1.638 124.466 122.820 0.013 0.000 1.930 251 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 251 A C 2.379 179.971 177.584 0.013 0.000 1.175 251 A CA 2.316 54.363 52.037 0.016 0.000 0.627 251 A CB -1.580 17.441 19.000 0.035 0.000 0.815 251 A HN 1.713 nan 8.150 nan 0.000 0.443 252 S N 0.374 116.082 115.700 0.013 0.000 2.382 252 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 252 S C 1.444 176.038 174.600 -0.011 0.000 1.027 252 S CA 1.513 59.719 58.200 0.011 0.000 0.991 252 S CB -0.591 62.617 63.200 0.012 0.000 0.823 252 S HN 0.478 nan 8.310 nan 0.000 0.469 253 D N 2.687 123.074 120.400 -0.021 0.000 2.116 253 D HA -0.031 4.609 4.640 -0.000 0.000 0.193 253 D C 2.322 178.577 176.300 -0.075 0.000 0.998 253 D CA 1.701 55.674 54.000 -0.045 0.000 0.836 253 D CB -0.844 39.931 40.800 -0.042 0.000 0.951 253 D HN 0.574 nan 8.370 nan 0.000 0.449 254 A N 0.948 123.724 122.820 -0.073 0.000 1.902 254 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 254 A C 2.166 179.648 177.584 -0.169 0.000 1.181 254 A CA 1.548 53.515 52.037 -0.118 0.000 0.623 254 A CB -0.425 18.522 19.000 -0.089 0.000 0.818 254 A HN 0.059 nan 8.150 nan 0.000 0.443 255 R N 0.451 120.903 120.500 -0.079 0.000 2.073 255 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 255 R C 1.833 178.063 176.300 -0.117 0.000 1.134 255 R CA 2.157 58.236 56.100 -0.035 0.000 0.952 255 R CB -0.469 29.899 30.300 0.112 0.000 0.850 255 R HN 0.575 nan 8.270 nan 0.000 0.433 256 K N 0.032 120.385 120.400 -0.078 0.000 2.057 256 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 256 K C 2.192 178.715 176.600 -0.128 0.000 1.050 256 K CA 1.404 57.648 56.287 -0.072 0.000 0.935 256 K CB -0.196 32.276 32.500 -0.047 0.000 0.715 256 K HN 0.238 nan 8.250 nan 0.000 0.439 257 A N 1.277 123.997 122.820 -0.166 0.000 1.877 257 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 257 A C 2.105 179.534 177.584 -0.259 0.000 1.186 257 A CA 1.395 53.322 52.037 -0.184 0.000 0.620 257 A CB -0.613 18.273 19.000 -0.189 0.000 0.822 257 A HN 0.158 nan 8.150 nan 0.000 0.443 258 L N -1.101 119.848 121.223 -0.457 0.000 2.131 258 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 258 L C 2.996 179.532 176.870 -0.557 0.000 1.087 258 L CA 0.814 55.236 54.840 -0.698 0.000 0.767 258 L CB -0.441 40.793 42.059 -1.375 0.000 0.917 258 L HN 0.394 nan 8.230 nan 0.000 0.441 259 A N 0.073 122.651 122.820 -0.403 0.000 1.930 259 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 259 A C 2.222 179.799 177.584 -0.012 0.000 1.175 259 A CA 1.234 53.269 52.037 -0.005 0.000 0.627 259 A CB -0.579 18.495 19.000 0.122 0.000 0.815 259 A HN 0.355 nan 8.150 nan 0.000 0.443 260 L N -1.323 119.864 121.223 -0.061 0.000 2.291 260 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 260 L C 1.715 178.567 176.870 -0.029 0.000 1.120 260 L CA 0.716 55.536 54.840 -0.033 0.000 0.799 260 L CB -0.265 41.771 42.059 -0.039 0.000 0.925 260 L HN 0.603 nan 8.230 nan 0.000 0.446 261 G N -0.787 107.978 108.800 -0.058 0.000 2.149 261 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.235 261 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.235 261 G C 0.921 175.803 174.900 -0.029 0.000 1.018 261 G CA 0.365 45.442 45.100 -0.039 0.000 0.728 261 G HN 0.422 nan 8.290 nan 0.000 0.508 262 A N -0.958 121.832 122.820 -0.050 0.000 2.015 262 A HA 0.563 4.883 4.320 -0.000 0.000 0.219 262 A C 1.688 179.252 177.584 -0.033 0.000 1.163 262 A CA 2.001 54.028 52.037 -0.016 0.000 0.646 262 A CB 0.088 19.061 19.000 -0.044 0.000 0.806 262 A HN 2.174 nan 8.150 nan 0.000 0.448 263 G N -4.109 104.645 108.800 -0.077 0.000 2.608 263 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 263 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 263 G C 0.184 175.042 174.900 -0.071 0.000 1.425 263 G CA 0.229 45.290 45.100 -0.065 0.000 0.787 263 G HN 0.639 nan 8.290 nan 0.000 0.484 264 G N -1.409 107.369 108.800 -0.037 0.000 3.228 264 G HA2 0.468 4.428 3.960 -0.000 0.000 0.245 264 G HA3 0.468 4.428 3.960 -0.000 0.000 0.245 264 G C -0.350 174.531 174.900 -0.031 0.000 1.051 264 G CA 0.289 45.374 45.100 -0.024 0.000 0.809 264 G HN 0.930 nan 8.290 nan 0.000 0.531 265 V N 0.966 120.840 119.914 -0.068 0.000 2.808 265 V HA 0.521 4.641 4.120 -0.000 0.000 0.308 265 V C -1.044 174.939 176.094 -0.185 0.000 1.099 265 V CA -0.788 61.452 62.300 -0.100 0.000 0.920 265 V CB 2.304 34.052 31.823 -0.126 0.000 1.014 265 V HN 0.094 nan 8.190 nan 0.000 0.425 266 I N 2.938 123.363 120.570 -0.241 0.000 2.436 266 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 266 I C 0.141 175.894 176.117 -0.607 0.000 1.010 266 I CA -0.312 60.787 61.300 -0.334 0.000 1.098 266 I CB 1.761 39.603 38.000 -0.263 0.000 1.266 266 I HN 0.750 nan 8.210 nan 0.000 0.434 267 N N 6.535 124.775 118.700 -0.766 0.000 2.402 267 N HA 0.192 4.932 4.740 -0.000 0.000 0.252 267 N C -0.966 174.180 175.510 -0.608 0.000 1.118 267 N CA -0.643 51.672 53.050 -1.225 0.000 0.945 267 N CB 0.619 38.408 38.487 -1.164 0.000 1.147 267 N HN 0.364 nan 8.380 nan 0.000 0.495 268 L N 4.117 125.054 121.223 -0.477 0.000 2.261 268 L HA 0.329 4.669 4.340 -0.000 0.000 0.289 268 L C -0.683 176.139 176.870 -0.079 0.000 1.059 268 L CA -0.154 54.568 54.840 -0.195 0.000 0.816 268 L CB 0.386 42.369 42.059 -0.127 0.000 1.191 268 L HN 0.401 nan 8.230 nan 0.000 0.431 269 K N 4.395 124.758 120.400 -0.063 0.000 2.281 269 K HA 0.188 4.508 4.320 -0.000 0.000 0.272 269 K C 0.909 177.499 176.600 -0.017 0.000 1.048 269 K CA -0.333 55.940 56.287 -0.022 0.000 0.898 269 K CB 1.958 34.450 32.500 -0.014 0.000 1.128 269 K HN 0.579 nan 8.250 nan 0.000 0.460 270 V N 3.451 123.349 119.914 -0.026 0.000 2.278 270 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 270 V C 1.801 177.828 176.094 -0.112 0.000 1.062 270 V CA 2.843 65.089 62.300 -0.090 0.000 1.038 270 V CB -0.198 31.512 31.823 -0.188 0.000 0.646 270 V HN 0.932 nan 8.190 nan 0.000 0.447 271 A N -0.293 122.470 122.820 -0.096 0.000 1.930 271 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 271 A C 2.396 179.969 177.584 -0.019 0.000 1.176 271 A CA 1.411 53.401 52.037 -0.078 0.000 0.632 271 A CB -0.697 18.258 19.000 -0.075 0.000 0.819 271 A HN 0.582 nan 8.150 nan 0.000 0.445 272 R N 0.289 120.797 120.500 0.013 0.000 2.139 272 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 272 R C 1.564 177.888 176.300 0.040 0.000 1.145 272 R CA 2.039 58.176 56.100 0.061 0.000 0.976 272 R CB -0.292 30.073 30.300 0.108 0.000 0.866 272 R HN 0.543 nan 8.270 nan 0.000 0.449 273 V N -3.857 116.065 119.914 0.013 0.000 3.621 273 V HA 0.434 4.554 4.120 -0.000 0.000 0.285 273 V C 0.826 176.926 176.094 0.010 0.000 1.346 273 V CA 0.578 62.886 62.300 0.013 0.000 1.104 273 V CB 0.499 32.325 31.823 0.006 0.000 0.913 273 V HN 0.409 nan 8.190 nan 0.000 0.432 274 G N -1.517 107.282 108.800 -0.001 0.000 2.179 274 G HA2 0.316 4.276 3.960 -0.000 0.000 0.220 274 G HA3 0.316 4.276 3.960 -0.000 0.000 0.220 274 G C 0.994 175.884 174.900 -0.017 0.000 0.990 274 G CA -0.018 45.081 45.100 -0.002 0.000 0.646 274 G HN 2.248 nan 8.290 nan 0.000 0.517 275 G N -1.663 107.104 108.800 -0.054 0.000 2.331 275 G HA2 0.223 4.183 3.960 -0.000 0.000 0.479 275 G HA3 0.223 4.183 3.960 -0.000 0.000 0.479 275 G C 0.220 175.052 174.900 -0.113 0.000 1.262 275 G CA 0.465 45.499 45.100 -0.110 0.000 1.029 275 G HN 0.536 nan 8.290 nan 0.000 0.487 276 H N -0.059 118.989 119.070 -0.036 0.000 2.326 276 H HA 0.052 4.608 4.556 0.000 0.000 0.301 276 H C 3.124 178.365 175.328 -0.145 0.000 1.081 276 H CA 2.474 58.384 56.048 -0.229 0.000 1.334 276 H CB -0.569 28.763 29.762 -0.718 0.000 1.385 276 H HN 0.735 nan 8.280 nan 0.000 0.504 277 A N 1.126 124.055 122.820 0.182 0.000 1.865 277 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 277 A C 2.385 180.051 177.584 0.136 0.000 1.191 277 A CA 2.059 54.234 52.037 0.229 0.000 0.623 277 A CB -0.438 18.794 19.000 0.387 0.000 0.826 277 A HN 0.375 nan 8.150 nan 0.000 0.444 278 E N 0.117 120.384 120.200 0.112 0.000 2.153 278 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 278 E C 2.160 178.799 176.600 0.065 0.000 0.988 278 E CA 1.470 57.915 56.400 0.074 0.000 0.811 278 E CB -0.225 29.506 29.700 0.052 0.000 0.746 278 E HN 0.522 nan 8.360 nan 0.000 0.466 279 S N -0.099 115.636 115.700 0.058 0.000 2.368 279 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 279 S C 1.865 176.537 174.600 0.121 0.000 1.029 279 S CA 1.039 59.284 58.200 0.076 0.000 0.988 279 S CB -0.281 62.963 63.200 0.074 0.000 0.838 279 S HN 0.266 nan 8.310 nan 0.000 0.462 280 R N 1.146 121.706 120.500 0.100 0.000 2.096 280 R HA -0.114 4.226 4.340 -0.000 0.000 0.240 280 R C 2.447 178.856 176.300 0.181 0.000 1.139 280 R CA 1.512 57.688 56.100 0.127 0.000 0.952 280 R CB -0.147 30.197 30.300 0.072 0.000 0.854 280 R HN 0.316 nan 8.270 nan 0.000 0.436 281 R N -0.487 120.087 120.500 0.125 0.000 2.091 281 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 281 R C 2.329 178.679 176.300 0.083 0.000 1.136 281 R CA 1.612 57.772 56.100 0.100 0.000 0.959 281 R CB -0.400 29.947 30.300 0.079 0.000 0.856 281 R HN 0.103 nan 8.270 nan 0.000 0.437 282 V N 0.399 120.357 119.914 0.073 0.000 2.295 282 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 282 V C 2.255 178.361 176.094 0.020 0.000 1.049 282 V CA 2.297 64.616 62.300 0.031 0.000 1.024 282 V CB -0.663 31.163 31.823 0.005 0.000 0.648 282 V HN 0.440 nan 8.190 nan 0.000 0.447 283 H N 0.681 119.722 119.070 -0.049 0.000 2.319 283 H HA -0.206 4.350 4.556 -0.000 0.000 0.297 283 H C 1.939 177.245 175.328 -0.036 0.000 1.097 283 H CA 2.380 58.373 56.048 -0.091 0.000 1.285 283 H CB -0.194 29.547 29.762 -0.035 0.000 1.368 283 H HN 0.417 nan 8.280 nan 0.000 0.495 284 D N -0.316 120.038 120.400 -0.077 0.000 2.183 284 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 284 D C 2.425 178.693 176.300 -0.055 0.000 0.969 284 D CA 0.988 54.923 54.000 -0.108 0.000 0.842 284 D CB -0.159 40.663 40.800 0.038 0.000 0.957 284 D HN 0.328 nan 8.370 nan 0.000 0.484 285 V N 1.452 121.370 119.914 0.006 0.000 2.358 285 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 285 V C 2.544 178.724 176.094 0.145 0.000 1.047 285 V CA 1.672 64.026 62.300 0.090 0.000 1.035 285 V CB -0.701 31.184 31.823 0.103 0.000 0.658 285 V HN 0.163 nan 8.190 nan 0.000 0.452 286 A N -0.863 121.967 122.820 0.018 0.000 1.883 286 A HA -0.338 3.982 4.320 -0.000 0.000 0.217 286 A C 2.236 179.825 177.584 0.010 0.000 1.186 286 A CA 2.300 54.333 52.037 -0.006 0.000 0.624 286 A CB -0.622 18.309 19.000 -0.115 0.000 0.822 286 A HN 0.581 nan 8.150 nan 0.000 0.444 287 Q N 0.068 119.806 119.800 -0.103 0.000 2.124 287 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 287 Q C 2.270 178.249 176.000 -0.036 0.000 0.977 287 Q CA 2.080 57.819 55.803 -0.106 0.000 0.850 287 Q CB -0.198 28.412 28.738 -0.214 0.000 0.901 287 Q HN 0.832 nan 8.270 nan 0.000 0.429 288 S N -0.917 114.767 115.700 -0.026 0.000 2.442 288 S HA -0.108 4.362 4.470 -0.000 0.000 0.236 288 S C 1.249 175.778 174.600 -0.118 0.000 1.007 288 S CA 0.729 58.885 58.200 -0.073 0.000 0.965 288 S CB -0.304 62.833 63.200 -0.106 0.000 0.773 288 S HN 0.397 nan 8.310 nan 0.000 0.504 289 F N 1.897 121.816 119.950 -0.051 0.000 2.727 289 F HA 0.403 4.931 4.527 0.000 0.000 0.302 289 F C 1.811 177.590 175.800 -0.035 0.000 1.097 289 F CA 0.077 58.054 58.000 -0.039 0.000 1.330 289 F CB 0.029 39.004 39.000 -0.041 0.000 1.084 289 F HN 0.375 nan 8.300 nan 0.000 0.578 290 G N 1.170 110.030 108.800 0.100 0.000 2.198 290 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.260 290 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.260 290 G C 0.069 175.003 174.900 0.058 0.000 1.025 290 G CA 0.128 45.262 45.100 0.057 0.000 0.769 290 G HN 0.646 nan 8.290 nan 0.000 0.507 291 A N 0.554 123.407 122.820 0.055 0.000 2.304 291 A HA 0.888 5.208 4.320 -0.000 0.000 0.323 291 A C -1.600 175.967 177.584 -0.027 0.000 1.195 291 A CA -1.468 50.576 52.037 0.012 0.000 0.826 291 A CB 1.913 20.901 19.000 -0.019 0.000 1.184 291 A HN 0.203 nan 8.150 nan 0.000 0.496 292 P HA 0.424 nan 4.420 nan 0.000 0.276 292 P C -0.267 176.987 177.300 -0.075 0.000 1.244 292 P CA -0.157 62.929 63.100 -0.023 0.000 0.801 292 P CB 1.334 33.066 31.700 0.053 0.000 1.006 293 V N -1.675 118.144 119.914 -0.158 0.000 3.019 293 V HA 0.813 4.933 4.120 -0.000 0.000 0.317 293 V C -0.614 175.425 176.094 -0.090 0.000 1.094 293 V CA -0.872 61.258 62.300 -0.284 0.000 1.000 293 V CB 2.101 33.587 31.823 -0.562 0.000 1.060 293 V HN 0.794 nan 8.190 nan 0.000 0.443 294 W N 0.079 121.310 121.300 -0.116 0.000 3.031 294 W HA 0.674 5.334 4.660 -0.000 0.000 0.337 294 W C -1.188 175.492 176.519 0.268 0.000 1.187 294 W CA -1.332 56.097 57.345 0.141 0.000 1.166 294 W CB 1.194 30.735 29.460 0.134 0.000 1.437 294 W HN 0.870 nan 8.180 nan 0.000 0.551 295 C N 2.973 122.697 119.300 0.707 0.000 2.373 295 C HA 0.670 5.130 4.460 -0.000 0.000 0.354 295 C C 1.127 176.334 174.990 0.361 0.000 1.249 295 C CA 0.541 59.836 59.018 0.462 0.000 1.784 295 C CB -0.802 27.113 27.740 0.293 0.000 2.408 295 C HN 0.803 nan 8.230 nan 0.000 0.542 296 G N 4.101 112.954 108.800 0.089 0.000 2.562 296 G HA2 0.602 4.562 3.960 -0.000 0.000 0.275 296 G HA3 0.602 4.562 3.960 -0.000 0.000 0.275 296 G C 0.028 175.011 174.900 0.138 0.000 1.196 296 G CA 0.115 45.279 45.100 0.107 0.000 0.908 296 G HN 1.213 nan 8.290 nan 0.000 0.524 297 G N -1.199 107.688 108.800 0.145 0.000 2.533 297 G HA2 0.514 4.474 3.960 -0.000 0.000 0.304 297 G HA3 0.514 4.474 3.960 -0.000 0.000 0.304 297 G C -0.264 174.635 174.900 -0.001 0.000 1.263 297 G CA -0.626 44.516 45.100 0.071 0.000 0.964 297 G HN 0.387 nan 8.290 nan 0.000 0.479 298 M N 1.921 121.492 119.600 -0.048 0.000 3.470 298 M HA 0.256 4.736 4.480 -0.000 0.000 0.454 298 M C 0.416 176.686 176.300 -0.050 0.000 1.631 298 M CA -0.152 55.102 55.300 -0.076 0.000 0.732 298 M CB -0.222 32.310 32.600 -0.112 0.000 1.454 298 M HN 0.586 nan 8.290 nan 0.000 0.521 299 L N 0.546 121.708 121.223 -0.103 0.000 3.678 299 L HA -0.270 4.070 4.340 -0.000 0.000 0.425 299 L C -0.255 176.646 176.870 0.052 0.000 1.240 299 L CA 0.635 55.396 54.840 -0.131 0.000 0.876 299 L CB -1.805 40.259 42.059 0.009 0.000 1.766 299 L HN 0.398 nan 8.230 nan 0.000 0.917 300 E N 0.217 120.397 120.200 -0.034 0.000 2.366 300 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 300 E C 0.762 177.478 176.600 0.192 0.000 1.051 300 E CA 0.343 56.779 56.400 0.060 0.000 0.884 300 E CB 0.856 30.560 29.700 0.008 0.000 1.006 300 E HN 0.360 nan 8.360 nan 0.000 0.417 301 S N 0.970 116.696 115.700 0.042 0.000 2.612 301 S HA 0.104 4.574 4.470 -0.000 0.000 0.253 301 S C 1.424 176.064 174.600 0.068 0.000 1.346 301 S CA -0.225 57.939 58.200 -0.060 0.000 0.976 301 S CB 0.783 63.842 63.200 -0.235 0.000 0.949 301 S HN 0.641 nan 8.310 nan 0.000 0.584 302 G N -0.092 108.747 108.800 0.065 0.000 2.509 302 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.218 302 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.218 302 G C 1.192 176.142 174.900 0.083 0.000 1.124 302 G CA 0.438 45.594 45.100 0.093 0.000 0.776 302 G HN 0.581 nan 8.290 nan 0.000 0.547 303 I N 1.808 122.423 120.570 0.075 0.000 2.110 303 I HA -0.059 4.111 4.170 -0.000 0.000 0.236 303 I C 3.045 179.294 176.117 0.219 0.000 1.068 303 I CA 1.532 62.908 61.300 0.126 0.000 1.333 303 I CB -1.512 36.548 38.000 0.102 0.000 1.054 303 I HN 0.221 nan 8.210 nan 0.000 0.402 304 G N 0.279 109.164 108.800 0.143 0.000 2.450 304 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 304 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 304 G C 1.918 176.895 174.900 0.127 0.000 1.130 304 G CA 0.817 45.990 45.100 0.122 0.000 0.760 304 G HN 0.324 nan 8.290 nan 0.000 0.557 305 R N 0.362 120.921 120.500 0.097 0.000 2.090 305 R HA 0.140 4.480 4.340 -0.000 0.000 0.228 305 R C 2.833 179.184 176.300 0.085 0.000 1.110 305 R CA 1.285 57.429 56.100 0.074 0.000 0.973 305 R CB -0.302 30.036 30.300 0.062 0.000 0.869 305 R HN 0.271 nan 8.270 nan 0.000 0.440 306 A N 0.427 123.306 122.820 0.100 0.000 1.898 306 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 306 A C 1.866 179.537 177.584 0.144 0.000 1.181 306 A CA 1.326 53.412 52.037 0.082 0.000 0.620 306 A CB -0.836 18.199 19.000 0.057 0.000 0.819 306 A HN 0.431 nan 8.150 nan 0.000 0.442 307 H N 0.076 119.232 119.070 0.143 0.000 2.352 307 H HA -0.115 4.441 4.556 0.000 0.000 0.299 307 H C 1.872 177.306 175.328 0.176 0.000 1.097 307 H CA 1.792 57.961 56.048 0.202 0.000 1.311 307 H CB -0.079 29.796 29.762 0.187 0.000 1.377 307 H HN 0.438 nan 8.280 nan 0.000 0.504 308 N N 0.748 119.569 118.700 0.202 0.000 2.120 308 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 308 N C 2.203 177.697 175.510 -0.026 0.000 1.024 308 N CA 0.658 53.753 53.050 0.076 0.000 0.852 308 N CB -0.399 38.120 38.487 0.053 0.000 1.003 308 N HN 0.352 nan 8.380 nan 0.000 0.424 309 I N 0.100 120.649 120.570 -0.035 0.000 2.226 309 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 309 I C 1.880 177.859 176.117 -0.230 0.000 1.100 309 I CA 1.159 62.373 61.300 -0.144 0.000 1.374 309 I CB -0.248 37.654 38.000 -0.163 0.000 1.057 309 I HN 0.194 nan 8.210 nan 0.000 0.413 310 H N -0.165 118.827 119.070 -0.130 0.000 2.321 310 H HA -0.191 4.365 4.556 -0.000 0.000 0.300 310 H C 1.979 177.160 175.328 -0.245 0.000 1.087 310 H CA 1.649 57.588 56.048 -0.182 0.000 1.319 310 H CB -0.092 29.547 29.762 -0.205 0.000 1.379 310 H HN 0.129 nan 8.280 nan 0.000 0.501 311 L N 0.339 121.512 121.223 -0.084 0.000 2.043 311 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 311 L C 1.927 178.447 176.870 -0.584 0.000 1.075 311 L CA 1.690 56.412 54.840 -0.196 0.000 0.752 311 L CB -0.611 41.445 42.059 -0.006 0.000 0.891 311 L HN 0.082 nan 8.230 nan 0.000 0.432 312 S N -1.232 114.039 115.700 -0.714 0.000 2.537 312 S HA -0.124 4.346 4.470 -0.000 0.000 0.240 312 S C 1.663 175.919 174.600 -0.575 0.000 0.981 312 S CA 1.108 58.646 58.200 -1.103 0.000 0.948 312 S CB -0.828 62.029 63.200 -0.572 0.000 0.759 312 S HN 0.796 nan 8.310 nan 0.000 0.531 313 T N -0.438 113.905 114.554 -0.352 0.000 3.118 313 T HA 0.181 4.531 4.350 -0.000 0.000 0.260 313 T C 0.511 175.120 174.700 -0.151 0.000 1.139 313 T CA -0.050 61.930 62.100 -0.200 0.000 1.085 313 T CB -0.346 68.431 68.868 -0.152 0.000 0.934 313 T HN -0.006 nan 8.240 nan 0.000 0.518 314 L N 2.970 124.113 121.223 -0.133 0.000 2.473 314 L HA 0.282 4.622 4.340 -0.000 0.000 0.268 314 L C 1.908 178.876 176.870 0.163 0.000 1.215 314 L CA 0.283 55.091 54.840 -0.053 0.000 0.823 314 L CB 0.778 42.645 42.059 -0.321 0.000 1.099 314 L HN 0.350 nan 8.230 nan 0.000 0.483 315 S N 0.356 116.180 115.700 0.207 0.000 2.453 315 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 315 S C 1.358 176.121 174.600 0.272 0.000 1.005 315 S CA 0.881 59.195 58.200 0.190 0.000 0.949 315 S CB -0.367 62.912 63.200 0.131 0.000 0.774 315 S HN 0.701 nan 8.310 nan 0.000 0.510 316 N N 0.487 119.478 118.700 0.485 0.000 2.461 316 N HA 0.181 4.921 4.740 -0.000 0.000 0.188 316 N C -0.859 174.719 175.510 0.113 0.000 1.134 316 N CA -0.231 52.919 53.050 0.168 0.000 0.878 316 N CB -0.557 37.774 38.487 -0.261 0.000 0.972 316 N HN 0.393 nan 8.380 nan 0.000 0.456 317 F N 0.628 120.709 119.950 0.218 0.000 2.619 317 F HA 0.240 4.767 4.527 -0.000 0.000 0.350 317 F C 1.447 177.326 175.800 0.132 0.000 1.259 317 F CA -0.094 58.003 58.000 0.161 0.000 1.204 317 F CB 0.376 39.441 39.000 0.107 0.000 1.556 317 F HN -0.081 nan 8.300 nan 0.000 0.650 318 R N 1.540 122.172 120.500 0.220 0.000 2.437 318 R HA 0.342 4.682 4.340 -0.000 0.000 0.257 318 R C -0.301 176.097 176.300 0.162 0.000 0.927 318 R CA 0.038 56.236 56.100 0.162 0.000 1.078 318 R CB 0.566 30.933 30.300 0.111 0.000 1.161 318 R HN 0.408 nan 8.270 nan 0.000 0.529 319 L N 1.132 122.487 121.223 0.220 0.000 2.354 319 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 319 L C -2.423 174.569 176.870 0.203 0.000 1.005 319 L CA -2.596 52.355 54.840 0.186 0.000 0.819 319 L CB 2.011 44.193 42.059 0.205 0.000 1.311 319 L HN -0.239 nan 8.230 nan 0.000 0.423 320 P HA 0.098 nan 4.420 nan 0.000 0.268 320 P C -0.129 177.240 177.300 0.116 0.000 1.204 320 P CA -0.080 63.075 63.100 0.092 0.000 0.768 320 P CB 0.662 32.377 31.700 0.025 0.000 0.842 321 G N 1.302 110.244 108.800 0.236 0.000 2.543 321 G HA2 0.143 4.103 3.960 -0.000 0.000 0.290 321 G HA3 0.143 4.103 3.960 -0.000 0.000 0.290 321 G C -0.019 175.035 174.900 0.257 0.000 1.310 321 G CA -0.376 44.956 45.100 0.387 0.000 1.025 321 G HN 0.327 nan 8.290 nan 0.000 0.502 322 D N -0.226 120.386 120.400 0.353 0.000 2.370 322 D HA 0.118 4.758 4.640 -0.000 0.000 0.230 322 D C 0.802 177.216 176.300 0.190 0.000 1.143 322 D CA 0.283 54.426 54.000 0.238 0.000 0.834 322 D CB 0.164 41.158 40.800 0.324 0.000 0.944 322 D HN 0.149 nan 8.370 nan 0.000 0.504 323 T N 0.646 115.310 114.554 0.183 0.000 4.098 323 T HA 0.136 4.486 4.350 -0.000 0.000 0.291 323 T C 0.881 175.696 174.700 0.190 0.000 1.440 323 T CA -0.400 61.792 62.100 0.154 0.000 1.164 323 T CB -0.178 68.757 68.868 0.112 0.000 1.313 323 T HN 0.049 nan 8.240 nan 0.000 0.951 324 S N 0.888 116.731 115.700 0.238 0.000 2.661 324 S HA 0.428 4.898 4.470 -0.000 0.000 0.265 324 S C 0.510 175.307 174.600 0.329 0.000 1.225 324 S CA -0.949 57.431 58.200 0.301 0.000 0.986 324 S CB 0.505 63.748 63.200 0.072 0.000 1.008 324 S HN 0.320 nan 8.310 nan 0.000 0.565 325 S N 0.833 116.724 115.700 0.319 0.000 2.546 325 S HA 0.326 4.796 4.470 -0.000 0.000 0.290 325 S C 1.578 176.344 174.600 0.275 0.000 1.290 325 S CA -0.143 58.199 58.200 0.237 0.000 1.069 325 S CB 0.491 63.803 63.200 0.187 0.000 0.846 325 S HN 0.917 nan 8.310 nan 0.000 0.495 326 A N 3.489 126.454 122.820 0.242 0.000 1.948 326 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 326 A C 2.291 180.006 177.584 0.219 0.000 1.177 326 A CA 1.998 54.200 52.037 0.275 0.000 0.636 326 A CB -1.033 18.116 19.000 0.247 0.000 0.815 326 A HN 0.946 nan 8.150 nan 0.000 0.449 327 S N -0.622 115.166 115.700 0.146 0.000 2.547 327 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 327 S C 1.726 176.339 174.600 0.021 0.000 0.980 327 S CA 0.884 59.137 58.200 0.088 0.000 0.941 327 S CB -0.429 62.811 63.200 0.067 0.000 0.763 327 S HN 0.624 nan 8.310 nan 0.000 0.532 328 R N -0.729 119.755 120.500 -0.026 0.000 2.148 328 R HA 0.058 4.398 4.340 -0.000 0.000 0.223 328 R C 1.293 177.444 176.300 -0.248 0.000 1.088 328 R CA 1.443 57.444 56.100 -0.165 0.000 0.985 328 R CB -0.217 29.862 30.300 -0.368 0.000 0.880 328 R HN 0.594 nan 8.270 nan 0.000 0.451 329 Y N -1.871 118.224 120.300 -0.342 0.000 2.422 329 Y HA 0.085 4.635 4.550 -0.000 0.000 0.291 329 Y C 0.462 175.826 175.900 -0.893 0.000 1.144 329 Y CA -0.020 57.517 58.100 -0.940 0.000 1.208 329 Y CB 0.272 37.685 38.460 -1.745 0.000 1.195 329 Y HN -0.053 nan 8.280 nan 0.000 0.535 330 W N 0.617 122.005 121.300 0.146 0.000 2.666 330 W HA 0.433 5.093 4.660 -0.000 0.000 0.334 330 W C 0.703 177.241 176.519 0.033 0.000 1.051 330 W CA -0.795 56.585 57.345 0.059 0.000 1.224 330 W CB 1.050 30.550 29.460 0.068 0.000 1.405 330 W HN -0.141 nan 8.180 nan 0.000 0.513 331 E N 0.875 121.215 120.200 0.234 0.000 2.150 331 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 331 E C 0.578 177.218 176.600 0.066 0.000 0.985 331 E CA 0.941 57.407 56.400 0.110 0.000 0.814 331 E CB 0.280 30.024 29.700 0.072 0.000 0.752 331 E HN 0.253 nan 8.360 nan 0.000 0.466 332 R N 0.635 121.185 120.500 0.082 0.000 2.522 332 R HA 0.114 4.454 4.340 -0.000 0.000 0.283 332 R C -1.701 174.624 176.300 0.042 0.000 1.074 332 R CA -0.488 55.551 56.100 -0.101 0.000 0.925 332 R CB 1.476 31.435 30.300 -0.568 0.000 1.205 332 R HN -0.137 nan 8.270 nan 0.000 0.436 333 D N 2.727 123.164 120.400 0.061 0.000 2.387 333 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 333 D C 1.004 177.383 176.300 0.132 0.000 1.141 333 D CA -0.387 53.661 54.000 0.080 0.000 0.987 333 D CB 1.350 42.244 40.800 0.156 0.000 1.116 333 D HN 0.558 nan 8.370 nan 0.000 0.491 334 L N 1.159 122.422 121.223 0.066 0.000 2.599 334 L HA 0.146 4.486 4.340 -0.000 0.000 0.230 334 L C 0.941 177.866 176.870 0.092 0.000 1.141 334 L CA 0.212 55.117 54.840 0.109 0.000 0.877 334 L CB -0.526 41.511 42.059 -0.037 0.000 1.009 334 L HN 0.317 nan 8.230 nan 0.000 0.447 335 I N -4.561 116.052 120.570 0.073 0.000 2.863 335 I HA 0.239 4.409 4.170 -0.000 0.000 0.311 335 I C 0.720 176.870 176.117 0.054 0.000 1.026 335 I CA -0.791 60.544 61.300 0.059 0.000 1.077 335 I CB 1.333 39.364 38.000 0.051 0.000 1.262 335 I HN -0.096 nan 8.210 nan 0.000 0.461 336 Q N 0.972 120.797 119.800 0.042 0.000 2.172 336 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 336 Q C -0.302 175.712 176.000 0.024 0.000 0.964 336 Q CA 1.053 56.873 55.803 0.029 0.000 0.855 336 Q CB -0.044 28.709 28.738 0.025 0.000 0.918 336 Q HN 0.647 nan 8.270 nan 0.000 0.444 337 E N 1.716 121.934 120.200 0.029 0.000 2.313 337 E HA 0.155 4.505 4.350 -0.000 0.000 0.272 337 E C -2.351 174.271 176.600 0.037 0.000 1.038 337 E CA -2.085 54.331 56.400 0.026 0.000 0.863 337 E CB 0.487 30.201 29.700 0.023 0.000 1.060 337 E HN 0.013 nan 8.360 nan 0.000 0.402 338 P HA 0.174 nan 4.420 nan 0.000 0.279 338 P C -0.828 176.499 177.300 0.045 0.000 1.239 338 P CA -0.222 62.904 63.100 0.044 0.000 0.789 338 P CB 0.686 32.405 31.700 0.031 0.000 0.933 339 L N 2.978 124.240 121.223 0.066 0.000 2.457 339 L HA 0.351 4.691 4.340 -0.000 0.000 0.252 339 L C 0.160 177.075 176.870 0.075 0.000 1.132 339 L CA -0.207 54.669 54.840 0.060 0.000 0.938 339 L CB 0.814 42.917 42.059 0.074 0.000 1.246 339 L HN 0.198 nan 8.230 nan 0.000 0.476 340 E N 2.129 122.359 120.200 0.050 0.000 2.199 340 E HA 0.604 4.954 4.350 -0.000 0.000 0.265 340 E C -0.573 176.040 176.600 0.021 0.000 0.882 340 E CA -0.468 55.962 56.400 0.050 0.000 0.759 340 E CB 2.870 32.591 29.700 0.034 0.000 1.148 340 E HN 0.439 nan 8.360 nan 0.000 0.412 341 A N 2.264 125.098 122.820 0.023 0.000 2.302 341 A HA 0.620 4.940 4.320 -0.000 0.000 0.285 341 A C -0.319 177.201 177.584 -0.107 0.000 1.105 341 A CA -0.502 51.511 52.037 -0.039 0.000 0.816 341 A CB 0.830 19.809 19.000 -0.036 0.000 1.067 341 A HN 0.331 nan 8.150 nan 0.000 0.489 342 V N 1.702 121.541 119.914 -0.124 0.000 2.638 342 V HA 0.426 4.546 4.120 -0.000 0.000 0.306 342 V C -0.097 175.897 176.094 -0.167 0.000 1.052 342 V CA 0.389 62.601 62.300 -0.148 0.000 0.885 342 V CB 1.490 33.260 31.823 -0.090 0.000 0.999 342 V HN 1.178 nan 8.190 nan 0.000 0.424 343 D N 3.782 124.056 120.400 -0.210 0.000 2.800 343 D HA -0.160 4.480 4.640 -0.000 0.000 0.232 343 D C 1.169 177.359 176.300 -0.184 0.000 1.137 343 D CA 2.013 55.908 54.000 -0.175 0.000 0.718 343 D CB -1.086 39.652 40.800 -0.103 0.000 1.084 343 D HN 1.719 nan 8.370 nan 0.000 0.432 344 G N -1.190 107.432 108.800 -0.298 0.000 2.168 344 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 344 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 344 G C 0.247 175.092 174.900 -0.091 0.000 0.997 344 G CA 0.529 45.510 45.100 -0.199 0.000 0.708 344 G HN 0.621 nan 8.290 nan 0.000 0.520 345 L N -0.368 120.796 121.223 -0.098 0.000 2.325 345 L HA 0.728 5.068 4.340 -0.000 0.000 0.281 345 L C 0.159 177.001 176.870 -0.047 0.000 1.004 345 L CA -1.019 53.789 54.840 -0.053 0.000 0.823 345 L CB 1.829 43.859 42.059 -0.048 0.000 1.236 345 L HN 0.176 nan 8.230 nan 0.000 0.415 346 M N 7.363 126.948 119.600 -0.025 0.000 2.129 346 M HA 0.532 5.012 4.480 -0.000 0.000 0.348 346 M C -2.549 173.724 176.300 -0.044 0.000 1.116 346 M CA -1.891 53.396 55.300 -0.022 0.000 1.022 346 M CB 1.452 34.055 32.600 0.005 0.000 1.599 346 M HN 0.119 nan 8.290 nan 0.000 0.449 347 P HA 0.184 nan 4.420 nan 0.000 0.281 347 P C -1.052 176.190 177.300 -0.096 0.000 1.249 347 P CA -0.442 62.620 63.100 -0.062 0.000 0.810 347 P CB 0.820 32.493 31.700 -0.046 0.000 1.008 348 V N 4.287 124.124 119.914 -0.129 0.000 2.439 348 V HA 0.122 4.242 4.120 -0.000 0.000 0.271 348 V C -1.603 174.398 176.094 -0.155 0.000 1.040 348 V CA -1.205 60.962 62.300 -0.221 0.000 1.002 348 V CB -0.043 31.634 31.823 -0.244 0.000 1.000 348 V HN 0.588 nan 8.190 nan 0.000 0.477 349 P HA 0.131 nan 4.420 nan 0.000 0.267 349 P C -0.434 176.863 177.300 -0.004 0.000 1.209 349 P CA -0.067 63.002 63.100 -0.052 0.000 0.763 349 P CB 0.535 32.222 31.700 -0.022 0.000 0.816 350 Q N 1.256 121.057 119.800 0.002 0.000 2.354 350 Q HA 0.568 4.908 4.340 -0.000 0.000 0.244 350 Q C 0.709 176.722 176.000 0.021 0.000 0.969 350 Q CA 0.110 55.921 55.803 0.015 0.000 0.885 350 Q CB 0.853 29.592 28.738 0.001 0.000 1.241 350 Q HN 0.807 nan 8.270 nan 0.000 0.461 351 G N 1.295 110.105 108.800 0.017 0.000 2.355 351 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.619 351 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.619 351 G C -3.045 171.842 174.900 -0.022 0.000 1.337 351 G CA -1.200 43.898 45.100 -0.004 0.000 0.993 351 G HN 0.467 nan 8.290 nan 0.000 0.599 352 P HA 0.473 nan 4.420 nan 0.000 0.274 352 P C 1.326 178.548 177.300 -0.130 0.000 1.237 352 P CA 1.523 64.569 63.100 -0.091 0.000 0.793 352 P CB 0.863 32.510 31.700 -0.089 0.000 0.977 353 G N 2.072 110.759 108.800 -0.188 0.000 2.634 353 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.309 353 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.309 353 G C 1.120 175.767 174.900 -0.422 0.000 1.265 353 G CA 1.447 46.392 45.100 -0.259 0.000 0.998 353 G HN 0.709 nan 8.290 nan 0.000 0.551 354 T N -0.638 113.707 114.554 -0.347 0.000 3.051 354 T HA 0.322 4.672 4.350 -0.000 0.000 0.269 354 T C 2.679 177.405 174.700 0.044 0.000 1.127 354 T CA 1.681 63.614 62.100 -0.278 0.000 1.107 354 T CB -0.474 68.221 68.868 -0.288 0.000 0.898 354 T HN 2.728 nan 8.240 nan 0.000 0.517 355 G N 1.018 109.810 108.800 -0.013 0.000 2.212 355 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.267 355 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.267 355 G C 0.222 175.137 174.900 0.025 0.000 1.002 355 G CA 0.624 45.744 45.100 0.033 0.000 0.729 355 G HN 1.524 nan 8.290 nan 0.000 0.517 356 V N -4.052 115.867 119.914 0.008 0.000 3.113 356 V HA 1.014 5.134 4.120 -0.000 0.000 0.316 356 V C -0.034 176.064 176.094 0.007 0.000 1.125 356 V CA -0.265 62.043 62.300 0.013 0.000 1.026 356 V CB 2.286 34.124 31.823 0.025 0.000 1.080 356 V HN 0.560 nan 8.190 nan 0.000 0.444 357 T N 2.726 117.290 114.554 0.017 0.000 3.011 357 T HA 0.519 4.869 4.350 -0.000 0.000 0.303 357 T C -0.463 174.254 174.700 0.028 0.000 0.997 357 T CA -0.416 61.694 62.100 0.017 0.000 1.007 357 T CB 1.182 70.060 68.868 0.016 0.000 1.017 357 T HN 0.770 nan 8.240 nan 0.000 0.443 358 L N 2.868 124.108 121.223 0.027 0.000 2.540 358 L HA 0.101 4.441 4.340 -0.000 0.000 0.276 358 L C 0.695 177.593 176.870 0.046 0.000 1.212 358 L CA -0.055 54.805 54.840 0.034 0.000 0.893 358 L CB 0.271 42.346 42.059 0.026 0.000 1.138 358 L HN 0.660 nan 8.230 nan 0.000 0.491 359 D N 3.759 124.200 120.400 0.069 0.000 2.483 359 D HA 0.044 4.684 4.640 -0.000 0.000 0.220 359 D C 1.166 177.520 176.300 0.090 0.000 1.173 359 D CA -0.310 53.744 54.000 0.090 0.000 0.964 359 D CB 0.539 41.419 40.800 0.133 0.000 1.046 359 D HN 0.267 nan 8.370 nan 0.000 0.517 360 R N 2.366 122.900 120.500 0.056 0.000 2.127 360 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 360 R C 1.306 177.625 176.300 0.032 0.000 1.134 360 R CA 1.073 57.193 56.100 0.034 0.000 0.975 360 R CB -0.161 30.157 30.300 0.030 0.000 0.865 360 R HN 0.460 nan 8.270 nan 0.000 0.447 361 E N -0.312 119.924 120.200 0.061 0.000 2.046 361 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 361 E C 1.711 178.368 176.600 0.094 0.000 0.982 361 E CA 0.841 57.280 56.400 0.064 0.000 0.800 361 E CB -0.547 29.197 29.700 0.073 0.000 0.756 361 E HN 0.325 nan 8.360 nan 0.000 0.449 362 F N 0.838 120.783 119.950 -0.009 0.000 2.134 362 F HA -0.155 4.372 4.527 0.000 0.000 0.299 362 F C 2.014 177.799 175.800 -0.025 0.000 1.097 362 F CA 0.668 58.658 58.000 -0.016 0.000 1.264 362 F CB 0.010 38.999 39.000 -0.017 0.000 1.001 362 F HN 0.083 nan 8.300 nan 0.000 0.479 363 L N 1.184 122.290 121.223 -0.195 0.000 2.079 363 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 363 L C 2.387 179.096 176.870 -0.267 0.000 1.081 363 L CA 2.043 56.705 54.840 -0.297 0.000 0.752 363 L CB -1.173 40.812 42.059 -0.123 0.000 0.896 363 L HN 0.148 nan 8.230 nan 0.000 0.433 364 A N -1.051 121.676 122.820 -0.156 0.000 2.019 364 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 364 A C 2.322 179.824 177.584 -0.136 0.000 1.164 364 A CA 2.058 54.027 52.037 -0.113 0.000 0.644 364 A CB -1.332 17.636 19.000 -0.054 0.000 0.805 364 A HN 0.663 nan 8.150 nan 0.000 0.449 365 T N -2.580 111.862 114.554 -0.186 0.000 3.055 365 T HA 0.061 4.411 4.350 -0.000 0.000 0.265 365 T C 1.048 175.622 174.700 -0.209 0.000 1.111 365 T CA 1.282 63.290 62.100 -0.154 0.000 1.118 365 T CB -0.322 68.499 68.868 -0.079 0.000 0.909 365 T HN 0.878 nan 8.240 nan 0.000 0.501 366 V N -2.125 117.589 119.914 -0.333 0.000 3.159 366 V HA 0.406 4.526 4.120 -0.000 0.000 0.333 366 V C 0.199 176.172 176.094 -0.202 0.000 1.424 366 V CA -0.709 61.425 62.300 -0.276 0.000 1.125 366 V CB -0.512 31.076 31.823 -0.391 0.000 1.075 366 V HN 0.184 nan 8.190 nan 0.000 0.482 367 T N 3.107 117.559 114.554 -0.169 0.000 2.851 367 T HA 0.268 4.618 4.350 -0.000 0.000 0.298 367 T C 1.045 175.697 174.700 -0.079 0.000 0.977 367 T CA 0.724 62.756 62.100 -0.114 0.000 1.126 367 T CB 1.181 69.992 68.868 -0.094 0.000 0.916 367 T HN 0.841 nan 8.240 nan 0.000 0.529 368 E N 1.584 121.746 120.200 -0.063 0.000 2.511 368 E HA 0.485 4.835 4.350 -0.000 0.000 0.209 368 E C 0.228 176.807 176.600 -0.035 0.000 0.986 368 E CA -0.495 55.878 56.400 -0.044 0.000 0.974 368 E CB 0.627 30.305 29.700 -0.037 0.000 1.030 368 E HN 0.515 nan 8.360 nan 0.000 0.490 369 A N 1.674 124.473 122.820 -0.035 0.000 2.589 369 A HA 0.495 4.815 4.320 -0.000 0.000 0.296 369 A C -1.724 175.847 177.584 -0.021 0.000 1.062 369 A CA -0.881 51.141 52.037 -0.024 0.000 0.686 369 A CB 1.511 20.501 19.000 -0.017 0.000 1.282 369 A HN 0.220 nan 8.150 nan 0.000 0.404 370 Q N 1.057 120.847 119.800 -0.017 0.000 2.352 370 Q HA 0.650 4.990 4.340 -0.000 0.000 0.270 370 Q C -1.462 174.527 176.000 -0.019 0.000 1.006 370 Q CA -0.793 55.002 55.803 -0.012 0.000 0.880 370 Q CB 2.057 30.784 28.738 -0.019 0.000 1.392 370 Q HN 0.886 nan 8.270 nan 0.000 0.401 371 E N 1.121 121.313 120.200 -0.014 0.000 2.390 371 E HA 0.531 4.881 4.350 -0.000 0.000 0.277 371 E C -1.501 175.041 176.600 -0.097 0.000 0.939 371 E CA -0.906 55.447 56.400 -0.079 0.000 0.769 371 E CB 2.835 32.490 29.700 -0.075 0.000 1.251 371 E HN 0.636 nan 8.360 nan 0.000 0.450 372 E N 1.793 121.867 120.200 -0.209 0.000 2.199 372 E HA 0.284 4.634 4.350 -0.000 0.000 0.269 372 E C -1.235 175.177 176.600 -0.313 0.000 0.899 372 E CA -0.719 55.597 56.400 -0.141 0.000 0.772 372 E CB 1.242 30.898 29.700 -0.072 0.000 1.155 372 E HN 0.506 nan 8.360 nan 0.000 0.408 373 H N 3.493 122.586 119.070 0.039 0.000 2.538 373 H HA 0.505 5.061 4.556 -0.000 0.000 0.353 373 H C -0.156 175.200 175.328 0.046 0.000 1.109 373 H CA -0.726 55.345 56.048 0.037 0.000 1.192 373 H CB 1.676 31.462 29.762 0.041 0.000 1.555 373 H HN 0.403 nan 8.280 nan 0.000 0.518 374 R N 0.486 121.069 120.500 0.139 0.000 2.922 374 R HA 0.654 4.994 4.340 -0.000 0.000 0.256 374 R C -0.227 176.127 176.300 0.090 0.000 1.138 374 R CA -0.930 55.227 56.100 0.095 0.000 0.995 374 R CB 2.054 32.384 30.300 0.049 0.000 1.226 374 R HN 0.648 nan 8.270 nan 0.000 0.481 375 A N 0.000 122.862 122.820 0.070 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.072 52.037 0.058 0.000 0.836 375 A CB 0.000 19.026 19.000 0.044 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486