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 1kfw_1_A DATA FIRST_RESID 10 DATA SEQUENCE PLTSTVNGYR NVGYFAQWGV YGRAFQAKQL DVSGTAKNLT HINYSFGNIN DATA SEQUENCE NQTLTcFMAN KAQGTGPNGS DGAGDAWADF GMGYAADKSV SGKADTWDQP DATA SEQUENCE LAGSFNQLKQ LKAKNPKLKV MISLGGWTWS KNFSKAAATE ASRQKLVSSc DATA SEQUENCE IDLYIKGNLP NFEGRGGAGA AAGIFDGIDI DWEWPGTNSG LAGNGVDTVN DATA SEQUENCE DRANFKALLA EFRKQLDAYG STNNKKYVLS AFLPANPADI DAGGWDDPAN DATA SEQUENCE FKSLDFGSIQ GYDLHGAWNP TLTGHQANLY DDPADPRAPS KKFSADKAVK DATA SEQUENCE KYLAAGIDPK QLGLGLAAYG RGWTGAKNVS PWGPATDGAP GTYETANEDY DATA SEQUENCE DKLKTLGTDH YDAATGSAWR YDGTQWWSYD NIATTKQKTD YIVSKGLGGG DATA SEQUENCE MWWELSGDRN GELVGAMSDK FRAAAPGPVT EAAPP 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.281 177.300 -0.032 0.000 1.155 10 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 10 P CB 0.000 31.683 31.700 -0.029 0.000 0.726 11 L N 2.253 123.455 121.223 -0.034 0.000 2.455 11 L HA 0.550 4.890 4.340 0.001 0.000 0.272 11 L C 0.267 177.111 176.870 -0.043 0.000 1.174 11 L CA 1.066 55.883 54.840 -0.038 0.000 0.869 11 L CB 0.243 42.278 42.059 -0.040 0.000 1.130 11 L HN 0.682 nan 8.230 nan 0.000 0.474 12 T N 0.489 115.017 114.554 -0.044 0.000 2.932 12 T HA 0.432 4.783 4.350 0.001 0.000 0.289 12 T C 0.146 174.812 174.700 -0.057 0.000 1.039 12 T CA -0.759 61.312 62.100 -0.049 0.000 1.024 12 T CB 1.293 70.130 68.868 -0.051 0.000 1.090 12 T HN 0.482 nan 8.240 nan 0.000 0.496 13 S N 2.344 118.004 115.700 -0.067 0.000 4.120 13 S HA 0.461 4.931 4.470 0.001 0.000 0.196 13 S C 0.369 174.945 174.600 -0.042 0.000 1.447 13 S CA -0.586 57.550 58.200 -0.107 0.000 0.939 13 S CB -1.163 61.897 63.200 -0.233 0.000 1.496 13 S HN 1.043 nan 8.310 nan 0.000 0.460 14 T N -2.409 112.124 114.554 -0.034 0.000 2.792 14 T HA 0.600 4.950 4.350 0.001 0.000 0.303 14 T C -0.980 173.724 174.700 0.006 0.000 1.310 14 T CA -0.742 61.343 62.100 -0.024 0.000 1.007 14 T CB 1.303 70.121 68.868 -0.084 0.000 1.335 14 T HN -0.100 nan 8.240 nan 0.000 0.504 15 V N 3.118 123.053 119.914 0.036 0.000 2.284 15 V HA 0.493 4.613 4.120 0.001 0.000 0.274 15 V C 0.517 176.690 176.094 0.131 0.000 1.023 15 V CA -0.335 62.032 62.300 0.112 0.000 0.808 15 V CB 0.043 32.003 31.823 0.227 0.000 1.035 15 V HN 1.163 nan 8.190 nan 0.000 0.445 16 N N 4.291 123.039 118.700 0.080 0.000 2.727 16 N HA -0.205 4.536 4.740 0.001 0.000 0.249 16 N C 1.006 176.475 175.510 -0.068 0.000 1.048 16 N CA 1.747 54.840 53.050 0.071 0.000 0.714 16 N CB -1.014 37.586 38.487 0.187 0.000 0.959 16 N HN 1.480 nan 8.380 nan 0.000 0.544 17 G N -2.390 106.304 108.800 -0.176 0.000 2.159 17 G HA2 -0.314 3.646 3.960 0.001 0.000 0.256 17 G HA3 -0.314 3.646 3.960 0.001 0.000 0.256 17 G C -0.270 174.249 174.900 -0.634 0.000 0.977 17 G CA 0.550 45.415 45.100 -0.391 0.000 0.652 17 G HN 0.548 nan 8.290 nan 0.000 0.531 18 Y N -0.199 119.895 120.300 -0.343 0.000 2.499 18 Y HA 0.726 5.277 4.550 0.001 0.000 0.347 18 Y C 0.876 176.501 175.900 -0.459 0.000 0.987 18 Y CA -1.163 56.572 58.100 -0.609 0.000 1.044 18 Y CB 1.242 38.803 38.460 -1.499 0.000 1.245 18 Y HN 0.085 nan 8.280 nan 0.000 0.461 19 R N 1.400 121.779 120.500 -0.201 0.000 2.500 19 R HA 0.364 4.704 4.340 0.001 0.000 0.277 19 R C -0.745 175.615 176.300 0.099 0.000 1.026 19 R CA -0.785 55.276 56.100 -0.066 0.000 1.058 19 R CB 0.792 30.953 30.300 -0.231 0.000 1.078 19 R HN 0.529 nan 8.270 nan 0.000 0.509 20 N N 1.566 120.410 118.700 0.240 0.000 2.640 20 N HA 0.122 4.862 4.740 0.001 0.000 0.262 20 N C -1.572 174.149 175.510 0.353 0.000 1.174 20 N CA -0.220 53.067 53.050 0.395 0.000 0.791 20 N CB 1.283 40.051 38.487 0.468 0.000 1.279 20 N HN 0.222 nan 8.380 nan 0.000 0.535 21 V N 1.053 121.156 119.914 0.316 0.000 2.498 21 V HA 0.749 4.869 4.120 0.001 0.000 0.279 21 V C 1.041 177.351 176.094 0.359 0.000 1.048 21 V CA -0.564 61.910 62.300 0.290 0.000 0.967 21 V CB 1.352 33.297 31.823 0.204 0.000 0.988 21 V HN 0.575 nan 8.190 nan 0.000 0.473 22 G N 2.936 111.904 108.800 0.279 0.000 2.590 22 G HA2 0.575 4.535 3.960 0.001 0.000 0.310 22 G HA3 0.575 4.535 3.960 0.001 0.000 0.310 22 G C -1.473 173.530 174.900 0.171 0.000 1.347 22 G CA -0.453 44.825 45.100 0.297 0.000 0.963 22 G HN 0.479 nan 8.290 nan 0.000 0.494 23 Y N 1.008 121.377 120.300 0.114 0.000 2.335 23 Y HA 0.435 4.985 4.550 0.001 0.000 0.331 23 Y C -0.139 175.631 175.900 -0.217 0.000 1.094 23 Y CA -0.085 57.983 58.100 -0.053 0.000 1.253 23 Y CB 1.478 39.843 38.460 -0.158 0.000 1.203 23 Y HN 0.464 nan 8.280 nan 0.000 0.508 24 F N 3.508 123.346 119.950 -0.186 0.000 2.402 24 F HA 0.705 5.233 4.527 0.001 0.000 0.355 24 F C -0.280 175.161 175.800 -0.598 0.000 1.123 24 F CA -1.139 56.701 58.000 -0.267 0.000 1.021 24 F CB 0.537 39.498 39.000 -0.065 0.000 1.160 24 F HN 0.529 nan 8.300 nan 0.000 0.451 25 A N 6.129 128.209 122.820 -1.234 0.000 2.409 25 A HA 0.182 4.502 4.320 0.001 0.000 0.267 25 A C 1.265 178.039 177.584 -1.351 0.000 1.127 25 A CA -0.217 50.838 52.037 -1.637 0.000 0.795 25 A CB 0.606 18.303 19.000 -2.172 0.000 1.061 25 A HN 1.006 nan 8.150 nan 0.000 0.502 26 Q N 2.263 121.453 119.800 -1.018 0.000 2.112 26 Q HA -0.222 4.119 4.340 0.001 0.000 0.206 26 Q C 1.423 177.359 176.000 -0.108 0.000 0.987 26 Q CA 2.635 58.232 55.803 -0.344 0.000 0.858 26 Q CB -0.264 28.467 28.738 -0.012 0.000 0.905 26 Q HN 1.005 nan 8.270 nan 0.000 0.420 27 W N -0.771 120.538 121.300 0.014 0.000 2.699 27 W HA 0.311 4.972 4.660 0.001 0.000 0.249 27 W C 1.595 178.150 176.519 0.060 0.000 1.280 27 W CA 0.378 57.821 57.345 0.163 0.000 1.345 27 W CB -0.794 28.736 29.460 0.117 0.000 1.128 27 W HN 0.069 nan 8.180 nan 0.000 0.642 28 G N 1.837 110.297 108.800 -0.566 0.000 2.498 28 G HA2 -0.222 3.738 3.960 0.001 0.000 0.219 28 G HA3 -0.222 3.738 3.960 0.001 0.000 0.219 28 G C 1.371 176.152 174.900 -0.198 0.000 1.119 28 G CA 1.671 46.521 45.100 -0.416 0.000 0.766 28 G HN 0.515 nan 8.290 nan 0.000 0.552 29 V N -2.791 116.992 119.914 -0.218 0.000 3.141 29 V HA 0.093 4.213 4.120 0.001 0.000 0.265 29 V C 1.823 177.769 176.094 -0.247 0.000 1.126 29 V CA 0.433 62.601 62.300 -0.220 0.000 1.141 29 V CB -0.945 30.724 31.823 -0.257 0.000 0.743 29 V HN 0.276 nan 8.190 nan 0.000 0.492 30 Y N 2.199 122.529 120.300 0.051 0.000 2.976 30 Y HA 0.538 5.089 4.550 0.001 0.000 0.214 30 Y C 2.725 178.657 175.900 0.053 0.000 0.927 30 Y CA 1.252 59.397 58.100 0.075 0.000 1.000 30 Y CB -1.259 37.276 38.460 0.124 0.000 1.069 30 Y HN 0.088 nan 8.280 nan 0.000 0.462 31 G N 0.075 109.042 108.800 0.278 0.000 2.476 31 G HA2 -0.259 3.701 3.960 0.001 0.000 0.218 31 G HA3 -0.259 3.701 3.960 0.001 0.000 0.218 31 G C 1.563 176.512 174.900 0.082 0.000 1.164 31 G CA 1.154 46.369 45.100 0.191 0.000 0.768 31 G HN 0.316 nan 8.290 nan 0.000 0.560 32 R N 0.203 120.596 120.500 -0.180 0.000 2.237 32 R HA 0.280 4.620 4.340 0.001 0.000 0.219 32 R C 1.766 178.019 176.300 -0.078 0.000 1.080 32 R CA 0.512 56.345 56.100 -0.445 0.000 0.995 32 R CB -0.249 29.693 30.300 -0.598 0.000 0.875 32 R HN 0.414 nan 8.270 nan 0.000 0.462 33 A N 0.814 123.634 122.820 -0.001 0.000 2.745 33 A HA -0.238 4.082 4.320 0.001 0.000 0.296 33 A C -0.177 177.442 177.584 0.058 0.000 1.500 33 A CA 0.745 52.799 52.037 0.030 0.000 0.766 33 A CB -2.151 16.884 19.000 0.058 0.000 1.030 33 A HN 0.424 nan 8.150 nan 0.000 0.489 34 F N 0.286 120.154 119.950 -0.137 0.000 2.361 34 F HA 0.618 5.146 4.527 0.001 0.000 0.364 34 F C 0.273 176.040 175.800 -0.054 0.000 1.117 34 F CA -0.367 57.554 58.000 -0.132 0.000 1.071 34 F CB 0.939 39.785 39.000 -0.258 0.000 1.188 34 F HN 0.443 nan 8.300 nan 0.000 0.464 35 Q N 3.292 122.831 119.800 -0.435 0.000 2.359 35 Q HA 0.630 4.970 4.340 0.001 0.000 0.275 35 Q C 0.899 176.705 176.000 -0.323 0.000 1.082 35 Q CA -0.389 55.319 55.803 -0.159 0.000 0.849 35 Q CB 1.946 30.727 28.738 0.070 0.000 1.377 35 Q HN 0.746 nan 8.270 nan 0.000 0.452 36 A N 1.116 123.839 122.820 -0.161 0.000 1.997 36 A HA -0.289 4.031 4.320 0.001 0.000 0.221 36 A C 1.831 179.273 177.584 -0.236 0.000 1.172 36 A CA 2.238 54.114 52.037 -0.268 0.000 0.645 36 A CB -0.453 18.324 19.000 -0.371 0.000 0.813 36 A HN 0.774 nan 8.150 nan 0.000 0.454 37 K N -0.863 119.420 120.400 -0.195 0.000 2.113 37 K HA -0.296 4.025 4.320 0.001 0.000 0.208 37 K C 2.209 178.728 176.600 -0.135 0.000 1.047 37 K CA 1.920 58.123 56.287 -0.140 0.000 0.928 37 K CB -0.159 32.291 32.500 -0.083 0.000 0.716 37 K HN 0.435 nan 8.250 nan 0.000 0.446 38 Q N 1.012 120.693 119.800 -0.199 0.000 2.170 38 Q HA -0.093 4.247 4.340 0.001 0.000 0.203 38 Q C 1.848 177.813 176.000 -0.059 0.000 0.976 38 Q CA 1.455 57.179 55.803 -0.131 0.000 0.858 38 Q CB -0.168 28.464 28.738 -0.178 0.000 0.907 38 Q HN 0.459 nan 8.270 nan 0.000 0.433 39 L N -0.064 121.103 121.223 -0.093 0.000 2.141 39 L HA -0.128 4.212 4.340 0.001 0.000 0.209 39 L C 1.943 178.797 176.870 -0.026 0.000 1.094 39 L CA 1.342 56.181 54.840 -0.002 0.000 0.763 39 L CB -0.361 41.701 42.059 0.006 0.000 0.908 39 L HN 0.293 nan 8.230 nan 0.000 0.437 40 D N -0.012 120.353 120.400 -0.058 0.000 2.106 40 D HA -0.147 4.493 4.640 0.001 0.000 0.203 40 D C 2.147 178.425 176.300 -0.037 0.000 0.977 40 D CA 1.550 55.518 54.000 -0.053 0.000 0.844 40 D CB 0.043 40.800 40.800 -0.072 0.000 1.002 40 D HN 0.075 nan 8.370 nan 0.000 0.461 41 V N -0.103 119.789 119.914 -0.036 0.000 2.568 41 V HA -0.154 3.967 4.120 0.001 0.000 0.253 41 V C 2.080 178.167 176.094 -0.012 0.000 1.072 41 V CA 2.186 64.472 62.300 -0.024 0.000 1.084 41 V CB -1.266 30.544 31.823 -0.022 0.000 0.676 41 V HN 0.333 nan 8.190 nan 0.000 0.469 42 S N 0.002 115.699 115.700 -0.005 0.000 2.496 42 S HA 0.347 4.818 4.470 0.001 0.000 0.224 42 S C 1.882 176.479 174.600 -0.005 0.000 0.996 42 S CA 0.916 59.118 58.200 0.004 0.000 0.927 42 S CB 0.137 63.353 63.200 0.026 0.000 0.774 42 S HN 1.822 nan 8.310 nan 0.000 0.524 43 G N 0.371 109.166 108.800 -0.009 0.000 2.176 43 G HA2 -0.302 3.658 3.960 0.001 0.000 0.253 43 G HA3 -0.302 3.658 3.960 0.001 0.000 0.253 43 G C 0.813 175.706 174.900 -0.012 0.000 0.979 43 G CA 0.603 45.695 45.100 -0.012 0.000 0.641 43 G HN 0.506 nan 8.290 nan 0.000 0.530 44 T N 0.882 115.431 114.554 -0.008 0.000 2.746 44 T HA 0.126 4.477 4.350 0.001 0.000 0.267 44 T C 2.769 177.470 174.700 0.002 0.000 1.039 44 T CA 2.290 64.382 62.100 -0.012 0.000 1.142 44 T CB -0.377 68.492 68.868 0.001 0.000 0.866 44 T HN 1.223 nan 8.240 nan 0.000 0.444 45 A N 1.509 124.332 122.820 0.005 0.000 1.978 45 A HA -0.123 4.197 4.320 0.001 0.000 0.220 45 A C 2.178 179.763 177.584 0.003 0.000 1.170 45 A CA 1.822 53.861 52.037 0.002 0.000 0.636 45 A CB -0.542 18.444 19.000 -0.023 0.000 0.810 45 A HN 0.480 nan 8.150 nan 0.000 0.448 46 K N -0.492 119.907 120.400 -0.001 0.000 2.283 46 K HA -0.095 4.226 4.320 0.001 0.000 0.202 46 K C 0.686 177.300 176.600 0.025 0.000 1.048 46 K CA 1.239 57.528 56.287 0.004 0.000 0.948 46 K CB -0.068 32.431 32.500 -0.002 0.000 0.742 46 K HN 0.404 nan 8.250 nan 0.000 0.458 47 N N 0.217 118.936 118.700 0.032 0.000 2.280 47 N HA 0.099 4.840 4.740 0.001 0.000 0.192 47 N C -0.355 175.220 175.510 0.108 0.000 1.109 47 N CA 0.214 53.302 53.050 0.064 0.000 0.855 47 N CB 0.466 38.974 38.487 0.036 0.000 0.974 47 N HN 0.110 nan 8.380 nan 0.000 0.482 48 L N -0.224 121.052 121.223 0.090 0.000 2.334 48 L HA 0.351 4.691 4.340 0.001 0.000 0.272 48 L C 1.559 178.490 176.870 0.101 0.000 1.020 48 L CA -0.299 54.617 54.840 0.128 0.000 0.812 48 L CB 1.867 43.992 42.059 0.110 0.000 1.264 48 L HN -0.011 nan 8.230 nan 0.000 0.439 49 T N -3.766 110.875 114.554 0.146 0.000 2.964 49 T HA 0.227 4.578 4.350 0.001 0.000 0.249 49 T C 0.216 174.859 174.700 -0.095 0.000 1.000 49 T CA 0.065 62.200 62.100 0.058 0.000 0.992 49 T CB 0.134 69.104 68.868 0.170 0.000 1.087 49 T HN 0.544 nan 8.240 nan 0.000 0.489 50 H N -0.439 118.672 119.070 0.069 0.000 2.894 50 H HA 0.693 5.249 4.556 0.001 0.000 0.367 50 H C -1.375 174.004 175.328 0.084 0.000 1.144 50 H CA -0.855 55.244 56.048 0.084 0.000 1.180 50 H CB 1.741 31.584 29.762 0.135 0.000 1.758 50 H HN 0.165 nan 8.280 nan 0.000 0.541 51 I N 2.427 123.103 120.570 0.176 0.000 2.418 51 I HA 0.228 4.398 4.170 0.001 0.000 0.287 51 I C -0.628 175.558 176.117 0.115 0.000 1.008 51 I CA -0.823 60.552 61.300 0.124 0.000 1.104 51 I CB 1.275 39.318 38.000 0.072 0.000 1.264 51 I HN 0.500 nan 8.210 nan 0.000 0.438 52 N N 5.823 124.529 118.700 0.010 0.000 2.420 52 N HA 0.140 4.881 4.740 0.001 0.000 0.249 52 N C -0.855 174.708 175.510 0.088 0.000 1.033 52 N CA -0.292 52.727 53.050 -0.051 0.000 0.944 52 N CB 0.817 38.972 38.487 -0.553 0.000 1.113 52 N HN 0.406 nan 8.380 nan 0.000 0.502 53 Y N 1.752 122.117 120.300 0.108 0.000 2.393 53 Y HA 0.139 4.689 4.550 0.001 0.000 0.338 53 Y C -0.145 175.793 175.900 0.064 0.000 1.029 53 Y CA -0.147 58.056 58.100 0.171 0.000 1.239 53 Y CB 0.469 39.120 38.460 0.317 0.000 1.170 53 Y HN 0.315 nan 8.280 nan 0.000 0.515 54 S N 7.161 122.518 115.700 -0.572 0.000 2.456 54 S HA 0.666 5.137 4.470 0.001 0.000 0.316 54 S C -1.143 173.120 174.600 -0.561 0.000 1.089 54 S CA -0.508 57.125 58.200 -0.945 0.000 1.101 54 S CB 0.561 62.766 63.200 -1.658 0.000 0.995 54 S HN 0.551 nan 8.310 nan 0.000 0.468 55 F N 0.215 120.291 119.950 0.211 0.000 2.824 55 F HA 0.762 5.290 4.527 0.001 0.000 0.330 55 F C 0.627 176.776 175.800 0.582 0.000 1.175 55 F CA -0.952 57.271 58.000 0.373 0.000 0.974 55 F CB 1.210 40.437 39.000 0.378 0.000 1.430 55 F HN 0.631 nan 8.300 nan 0.000 0.507 56 G N 0.454 109.692 108.800 0.730 0.000 2.415 56 G HA2 0.452 4.413 3.960 0.001 0.000 0.327 56 G HA3 0.452 4.413 3.960 0.001 0.000 0.327 56 G C -1.688 173.488 174.900 0.460 0.000 1.182 56 G CA -0.634 44.776 45.100 0.516 0.000 0.924 56 G HN 0.649 nan 8.290 nan 0.000 0.470 57 N N 0.801 119.521 118.700 0.034 0.000 2.476 57 N HA 0.546 5.286 4.740 0.001 0.000 0.276 57 N C -0.611 174.878 175.510 -0.035 0.000 1.204 57 N CA -0.799 52.082 53.050 -0.282 0.000 0.974 57 N CB 1.287 39.041 38.487 -1.222 0.000 1.204 57 N HN 0.246 nan 8.380 nan 0.000 0.543 58 I N 1.887 122.431 120.570 -0.044 0.000 2.406 58 I HA 0.136 4.307 4.170 0.001 0.000 0.290 58 I C -0.058 176.036 176.117 -0.039 0.000 0.999 58 I CA -0.772 60.501 61.300 -0.044 0.000 1.124 58 I CB 1.545 39.318 38.000 -0.379 0.000 1.289 58 I HN 0.558 nan 8.210 nan 0.000 0.441 59 N N 6.068 124.660 118.700 -0.181 0.000 2.468 59 N HA -0.044 4.696 4.740 0.001 0.000 0.265 59 N C 0.996 176.278 175.510 -0.379 0.000 1.199 59 N CA 0.091 52.750 53.050 -0.652 0.000 0.928 59 N CB 0.795 38.681 38.487 -1.001 0.000 1.059 59 N HN 0.672 nan 8.380 nan 0.000 0.467 60 N N 3.812 122.313 118.700 -0.331 0.000 2.309 60 N HA -0.188 4.553 4.740 0.001 0.000 0.182 60 N C 0.780 176.168 175.510 -0.203 0.000 1.018 60 N CA 1.385 54.299 53.050 -0.227 0.000 0.876 60 N CB 0.022 38.402 38.487 -0.177 0.000 0.972 60 N HN 0.643 nan 8.380 nan 0.000 0.434 61 Q N -0.039 119.618 119.800 -0.239 0.000 2.134 61 Q HA 0.017 4.357 4.340 0.001 0.000 0.195 61 Q C 1.677 177.571 176.000 -0.176 0.000 0.958 61 Q CA 1.721 57.411 55.803 -0.187 0.000 0.840 61 Q CB 0.154 28.781 28.738 -0.185 0.000 0.918 61 Q HN 0.658 nan 8.270 nan 0.000 0.467 62 T N -2.061 112.362 114.554 -0.218 0.000 3.044 62 T HA 0.209 4.559 4.350 0.001 0.000 0.250 62 T C 0.794 175.401 174.700 -0.156 0.000 1.081 62 T CA -0.263 61.733 62.100 -0.173 0.000 1.040 62 T CB 0.031 68.793 68.868 -0.177 0.000 0.962 62 T HN 0.245 nan 8.240 nan 0.000 0.506 63 L N 2.045 123.157 121.223 -0.185 0.000 3.597 63 L HA -0.167 4.173 4.340 0.001 0.000 0.440 63 L C 0.173 176.965 176.870 -0.130 0.000 1.277 63 L CA 0.476 55.217 54.840 -0.164 0.000 0.852 63 L CB -2.712 39.267 42.059 -0.133 0.000 1.708 63 L HN 0.752 nan 8.230 nan 0.000 0.885 64 T N -4.788 109.697 114.554 -0.115 0.000 2.865 64 T HA 0.579 4.929 4.350 0.001 0.000 0.294 64 T C 0.024 174.766 174.700 0.070 0.000 1.119 64 T CA -0.785 61.291 62.100 -0.041 0.000 1.007 64 T CB 2.004 70.846 68.868 -0.043 0.000 1.225 64 T HN 0.083 nan 8.240 nan 0.000 0.515 65 c N 2.369 121.039 118.600 0.116 0.000 2.604 65 c HA 0.817 5.388 4.570 0.001 0.000 0.396 65 c C -0.162 174.083 174.090 0.259 0.000 1.282 65 c CA -0.185 56.269 56.329 0.208 0.000 2.292 65 c CB -1.380 41.249 42.510 0.199 0.000 2.633 65 c HN 0.828 nan 8.230 nan 0.000 0.620 66 F N 1.466 121.384 119.950 -0.054 0.000 2.779 66 F HA 0.758 5.286 4.527 0.001 0.000 0.316 66 F C -1.190 174.578 175.800 -0.053 0.000 1.164 66 F CA -1.818 56.133 58.000 -0.082 0.000 0.924 66 F CB 1.148 40.094 39.000 -0.090 0.000 1.348 66 F HN 0.357 nan 8.300 nan 0.000 0.467 67 M N 2.429 121.975 119.600 -0.090 0.000 2.197 67 M HA 0.861 5.341 4.480 0.001 0.000 0.301 67 M C -1.382 174.892 176.300 -0.043 0.000 0.987 67 M CA -0.640 54.573 55.300 -0.146 0.000 0.921 67 M CB 1.200 33.793 32.600 -0.011 0.000 1.569 67 M HN 1.263 nan 8.290 nan 0.000 0.431 68 A N 3.846 126.582 122.820 -0.140 0.000 2.583 68 A HA 0.842 5.163 4.320 0.001 0.000 0.289 68 A C -1.376 176.139 177.584 -0.115 0.000 1.151 68 A CA -0.775 51.245 52.037 -0.028 0.000 0.695 68 A CB 1.467 20.589 19.000 0.204 0.000 1.290 68 A HN 0.697 nan 8.150 nan 0.000 0.419 69 N N 0.329 118.994 118.700 -0.060 0.000 2.804 69 N HA 0.364 5.104 4.740 0.001 0.000 0.251 69 N C -1.159 174.396 175.510 0.075 0.000 1.250 69 N CA -0.113 52.930 53.050 -0.012 0.000 0.820 69 N CB 0.426 38.922 38.487 0.014 0.000 1.156 69 N HN 0.597 nan 8.380 nan 0.000 0.512 70 K N 1.469 121.925 120.400 0.092 0.000 2.535 70 K HA 0.652 4.972 4.320 0.001 0.000 0.250 70 K C -1.033 175.643 176.600 0.125 0.000 0.948 70 K CA -0.747 55.598 56.287 0.097 0.000 0.796 70 K CB 1.381 33.936 32.500 0.093 0.000 1.216 70 K HN 0.312 nan 8.250 nan 0.000 0.432 71 A N 2.818 125.701 122.820 0.105 0.000 2.483 71 A HA 0.080 4.401 4.320 0.001 0.000 0.238 71 A C -0.146 177.523 177.584 0.142 0.000 1.070 71 A CA 0.048 52.155 52.037 0.116 0.000 0.770 71 A CB 0.455 19.494 19.000 0.064 0.000 1.008 71 A HN 0.730 nan 8.150 nan 0.000 0.497 72 Q N 1.382 121.293 119.800 0.184 0.000 2.297 72 Q HA 0.483 4.823 4.340 0.001 0.000 0.267 72 Q C 0.385 176.453 176.000 0.113 0.000 1.006 72 Q CA 0.890 56.821 55.803 0.212 0.000 0.896 72 Q CB 0.783 29.666 28.738 0.241 0.000 1.186 72 Q HN 0.844 nan 8.270 nan 0.000 0.392 73 G N 2.102 110.961 108.800 0.098 0.000 2.736 73 G HA2 0.640 4.601 3.960 0.001 0.000 0.229 73 G HA3 0.640 4.601 3.960 0.001 0.000 0.229 73 G C -0.626 174.304 174.900 0.050 0.000 1.380 73 G CA -0.046 45.090 45.100 0.059 0.000 1.040 73 G HN 0.838 nan 8.290 nan 0.000 0.568 74 T N -4.262 110.314 114.554 0.036 0.000 2.883 74 T HA 0.735 5.086 4.350 0.001 0.000 0.284 74 T C 0.511 175.226 174.700 0.025 0.000 1.041 74 T CA 0.438 62.556 62.100 0.030 0.000 1.007 74 T CB 1.315 70.198 68.868 0.025 0.000 1.220 74 T HN 2.455 nan 8.240 nan 0.000 0.552 75 G N 1.166 109.979 108.800 0.021 0.000 2.796 75 G HA2 -0.062 3.899 3.960 0.001 0.000 0.571 75 G HA3 -0.062 3.899 3.960 0.001 0.000 0.571 75 G C -1.556 173.350 174.900 0.011 0.000 1.370 75 G CA -0.283 44.826 45.100 0.015 0.000 0.856 75 G HN 0.779 nan 8.290 nan 0.000 0.538 76 P HA -0.032 nan 4.420 nan 0.000 0.225 76 P C 0.802 178.098 177.300 -0.007 0.000 1.148 76 P CA 1.294 64.392 63.100 -0.004 0.000 0.779 76 P CB 0.043 31.740 31.700 -0.006 0.000 0.780 77 N N -0.701 117.998 118.700 -0.002 0.000 2.187 77 N HA 0.066 4.807 4.740 0.001 0.000 0.212 77 N C 1.801 177.317 175.510 0.010 0.000 1.152 77 N CA 0.366 53.413 53.050 -0.006 0.000 0.872 77 N CB -0.143 38.337 38.487 -0.011 0.000 1.025 77 N HN 0.144 nan 8.380 nan 0.000 0.514 78 G N 1.416 110.232 108.800 0.027 0.000 2.475 78 G HA2 -0.269 3.692 3.960 0.001 0.000 0.220 78 G HA3 -0.269 3.692 3.960 0.001 0.000 0.220 78 G C 1.516 176.470 174.900 0.088 0.000 1.125 78 G CA 1.363 46.496 45.100 0.054 0.000 0.755 78 G HN 0.459 nan 8.290 nan 0.000 0.565 79 S N 0.123 115.876 115.700 0.088 0.000 2.593 79 S HA 0.093 4.564 4.470 0.001 0.000 0.217 79 S C 0.131 174.716 174.600 -0.026 0.000 0.966 79 S CA -0.190 58.072 58.200 0.105 0.000 0.914 79 S CB 0.110 63.409 63.200 0.164 0.000 0.776 79 S HN 0.160 nan 8.310 nan 0.000 0.523 80 D N 2.670 123.053 120.400 -0.027 0.000 2.389 80 D HA 0.391 5.031 4.640 0.001 0.000 0.263 80 D C 1.346 177.610 176.300 -0.059 0.000 1.255 80 D CA 1.324 55.280 54.000 -0.073 0.000 0.914 80 D CB 0.153 40.914 40.800 -0.066 0.000 1.116 80 D HN 0.432 nan 8.370 nan 0.000 0.502 81 G N 1.959 110.703 108.800 -0.094 0.000 2.166 81 G HA2 -0.241 3.720 3.960 0.001 0.000 0.260 81 G HA3 -0.241 3.720 3.960 0.001 0.000 0.260 81 G C 0.587 175.610 174.900 0.205 0.000 0.986 81 G CA 0.280 45.385 45.100 0.009 0.000 0.683 81 G HN 0.842 nan 8.290 nan 0.000 0.527 82 A N -0.384 122.474 122.820 0.063 0.000 2.462 82 A HA 0.803 5.124 4.320 0.001 0.000 0.243 82 A C 0.983 178.482 177.584 -0.143 0.000 1.076 82 A CA 1.185 53.244 52.037 0.035 0.000 0.773 82 A CB 0.877 19.967 19.000 0.150 0.000 1.010 82 A HN 2.166 nan 8.150 nan 0.000 0.493 83 G N -0.036 108.797 108.800 0.055 0.000 2.489 83 G HA2 0.459 4.419 3.960 0.001 0.000 0.291 83 G HA3 0.459 4.419 3.960 0.001 0.000 0.291 83 G C -1.916 173.096 174.900 0.187 0.000 1.487 83 G CA -0.333 44.784 45.100 0.030 0.000 0.795 83 G HN 0.602 nan 8.290 nan 0.000 0.513 84 D N 0.217 120.764 120.400 0.245 0.000 2.552 84 D HA 0.498 5.138 4.640 0.001 0.000 0.285 84 D C 1.292 177.676 176.300 0.140 0.000 1.206 84 D CA 0.251 54.405 54.000 0.256 0.000 0.826 84 D CB 0.949 41.998 40.800 0.416 0.000 1.179 84 D HN 0.550 nan 8.370 nan 0.000 0.508 85 A N 2.547 125.304 122.820 -0.104 0.000 2.019 85 A HA -0.145 4.175 4.320 0.001 0.000 0.219 85 A C 2.025 179.408 177.584 -0.336 0.000 1.164 85 A CA 0.698 52.514 52.037 -0.369 0.000 0.644 85 A CB -0.786 17.655 19.000 -0.932 0.000 0.805 85 A HN 0.745 nan 8.150 nan 0.000 0.449 86 W N 0.545 121.761 121.300 -0.140 0.000 2.354 86 W HA -0.210 4.450 4.660 0.001 0.000 0.315 86 W C 2.323 178.876 176.519 0.058 0.000 1.206 86 W CA 1.821 59.255 57.345 0.148 0.000 1.290 86 W CB -0.246 29.387 29.460 0.289 0.000 1.152 86 W HN 0.414 nan 8.180 nan 0.000 0.489 87 A N 0.684 123.606 122.820 0.170 0.000 1.933 87 A HA -0.232 4.089 4.320 0.001 0.000 0.218 87 A C 1.585 179.141 177.584 -0.047 0.000 1.175 87 A CA 2.136 54.184 52.037 0.019 0.000 0.628 87 A CB -1.037 18.100 19.000 0.228 0.000 0.814 87 A HN 0.284 nan 8.150 nan 0.000 0.444 88 D N -0.746 119.600 120.400 -0.089 0.000 2.078 88 D HA -0.108 4.532 4.640 0.001 0.000 0.193 88 D C 1.264 177.151 176.300 -0.689 0.000 0.990 88 D CA 2.203 55.897 54.000 -0.511 0.000 0.827 88 D CB -0.264 40.233 40.800 -0.505 0.000 0.975 88 D HN 0.706 nan 8.370 nan 0.000 0.451 89 F N -3.457 116.209 119.950 -0.474 0.000 2.974 89 F HA 0.540 5.067 4.527 0.001 0.000 0.357 89 F C 1.472 177.234 175.800 -0.063 0.000 1.114 89 F CA -0.088 57.759 58.000 -0.254 0.000 1.099 89 F CB 0.133 39.042 39.000 -0.150 0.000 1.205 89 F HN -0.103 nan 8.300 nan 0.000 0.535 90 G N 1.237 109.728 108.800 -0.516 0.000 2.490 90 G HA2 0.066 4.027 3.960 0.001 0.000 0.211 90 G HA3 0.066 4.027 3.960 0.001 0.000 0.211 90 G C 0.691 175.152 174.900 -0.732 0.000 1.159 90 G CA 0.004 44.906 45.100 -0.330 0.000 0.819 90 G HN 0.277 nan 8.290 nan 0.000 0.539 91 M N 2.503 121.313 119.600 -1.317 0.000 2.338 91 M HA 0.278 4.758 4.480 0.001 0.000 0.360 91 M C 0.620 176.627 176.300 -0.488 0.000 1.547 91 M CA -0.030 54.412 55.300 -1.429 0.000 1.001 91 M CB 0.314 32.218 32.600 -1.160 0.000 2.008 91 M HN 0.075 nan 8.290 nan 0.000 0.464 92 G N 4.746 113.350 108.800 -0.326 0.000 2.372 92 G HA2 0.390 4.350 3.960 0.001 0.000 0.283 92 G HA3 0.390 4.350 3.960 0.001 0.000 0.283 92 G C -1.643 173.231 174.900 -0.043 0.000 1.177 92 G CA -0.397 44.671 45.100 -0.053 0.000 0.842 92 G HN 0.719 nan 8.290 nan 0.000 0.503 93 Y N 0.849 121.091 120.300 -0.097 0.000 2.341 93 Y HA 0.546 5.096 4.550 0.001 0.000 0.337 93 Y C 0.846 176.719 175.900 -0.044 0.000 1.014 93 Y CA -0.526 57.528 58.100 -0.076 0.000 1.111 93 Y CB 1.847 40.252 38.460 -0.091 0.000 1.194 93 Y HN 0.762 nan 8.280 nan 0.000 0.462 94 A N 1.841 124.700 122.820 0.065 0.000 2.313 94 A HA 0.549 4.870 4.320 0.001 0.000 0.261 94 A C 1.360 178.979 177.584 0.058 0.000 1.090 94 A CA 0.136 52.201 52.037 0.046 0.000 0.807 94 A CB 0.042 19.051 19.000 0.015 0.000 1.055 94 A HN 1.013 nan 8.150 nan 0.000 0.492 95 A N 0.466 123.308 122.820 0.036 0.000 1.978 95 A HA -0.156 4.164 4.320 0.001 0.000 0.220 95 A C 1.461 179.057 177.584 0.020 0.000 1.170 95 A CA 2.008 54.059 52.037 0.024 0.000 0.636 95 A CB -0.542 18.467 19.000 0.015 0.000 0.810 95 A HN 0.893 nan 8.150 nan 0.000 0.448 96 D N -1.797 118.615 120.400 0.020 0.000 2.340 96 D HA -0.013 4.628 4.640 0.001 0.000 0.220 96 D C 0.898 177.210 176.300 0.021 0.000 1.039 96 D CA 0.456 54.465 54.000 0.014 0.000 0.866 96 D CB 0.050 40.855 40.800 0.010 0.000 0.913 96 D HN 0.272 nan 8.370 nan 0.000 0.523 97 K N 0.191 120.619 120.400 0.047 0.000 2.450 97 K HA 0.103 4.423 4.320 0.001 0.000 0.206 97 K C 0.800 177.487 176.600 0.145 0.000 1.148 97 K CA 0.010 56.346 56.287 0.082 0.000 1.014 97 K CB 1.189 33.729 32.500 0.067 0.000 0.966 97 K HN 0.214 nan 8.250 nan 0.000 0.566 98 S N -0.234 115.522 115.700 0.093 0.000 2.652 98 S HA 0.253 4.723 4.470 0.001 0.000 0.270 98 S C 1.533 176.093 174.600 -0.067 0.000 1.243 98 S CA -0.713 57.483 58.200 -0.005 0.000 0.999 98 S CB 1.656 64.840 63.200 -0.026 0.000 0.973 98 S HN -0.169 nan 8.310 nan 0.000 0.544 99 V N 1.846 121.678 119.914 -0.136 0.000 2.379 99 V HA -0.132 3.989 4.120 0.001 0.000 0.245 99 V C 2.912 178.949 176.094 -0.095 0.000 1.044 99 V CA 2.185 64.410 62.300 -0.125 0.000 1.036 99 V CB -1.288 30.435 31.823 -0.167 0.000 0.664 99 V HN 1.067 nan 8.190 nan 0.000 0.453 100 S N 0.022 115.664 115.700 -0.097 0.000 2.453 100 S HA 0.104 4.575 4.470 0.001 0.000 0.231 100 S C 1.767 176.335 174.600 -0.052 0.000 1.005 100 S CA 1.114 59.270 58.200 -0.075 0.000 0.949 100 S CB 0.214 63.367 63.200 -0.079 0.000 0.774 100 S HN 1.214 nan 8.310 nan 0.000 0.510 101 G N 0.572 109.346 108.800 -0.043 0.000 2.175 101 G HA2 -0.215 3.745 3.960 0.001 0.000 0.244 101 G HA3 -0.215 3.745 3.960 0.001 0.000 0.244 101 G C -0.118 174.772 174.900 -0.017 0.000 0.982 101 G CA 0.201 45.286 45.100 -0.025 0.000 0.641 101 G HN 0.626 nan 8.290 nan 0.000 0.527 102 K N 0.333 120.719 120.400 -0.023 0.000 2.259 102 K HA 0.771 5.091 4.320 0.001 0.000 0.249 102 K C 0.374 176.971 176.600 -0.005 0.000 0.942 102 K CA -0.186 56.092 56.287 -0.015 0.000 0.816 102 K CB 2.123 34.606 32.500 -0.027 0.000 1.155 102 K HN 0.463 nan 8.250 nan 0.000 0.428 103 A N 1.807 124.632 122.820 0.009 0.000 2.351 103 A HA 0.153 4.473 4.320 0.001 0.000 0.257 103 A C -0.452 177.141 177.584 0.016 0.000 1.087 103 A CA -0.449 51.605 52.037 0.028 0.000 0.798 103 A CB 0.195 19.217 19.000 0.037 0.000 1.033 103 A HN 0.665 nan 8.150 nan 0.000 0.488 104 D N 1.516 121.936 120.400 0.034 0.000 2.425 104 D HA 0.320 4.961 4.640 0.001 0.000 0.247 104 D C 0.730 177.038 176.300 0.013 0.000 1.147 104 D CA 0.780 54.787 54.000 0.012 0.000 0.879 104 D CB 0.951 41.773 40.800 0.037 0.000 1.179 104 D HN 0.648 nan 8.370 nan 0.000 0.456 105 T N -0.603 113.926 114.554 -0.041 0.000 2.927 105 T HA 0.202 4.552 4.350 0.001 0.000 0.281 105 T C 1.699 176.349 174.700 -0.085 0.000 0.998 105 T CA -1.024 61.035 62.100 -0.069 0.000 1.019 105 T CB 1.135 69.878 68.868 -0.208 0.000 1.061 105 T HN 0.595 nan 8.240 nan 0.000 0.518 106 W N 2.149 123.465 121.300 0.027 0.000 2.350 106 W HA -0.156 4.505 4.660 0.001 0.000 0.289 106 W C 0.922 177.461 176.519 0.034 0.000 1.215 106 W CA 1.612 58.976 57.345 0.031 0.000 1.236 106 W CB -1.063 28.413 29.460 0.027 0.000 1.130 106 W HN 0.845 nan 8.180 nan 0.000 0.541 107 D N 0.884 120.609 120.400 -1.126 0.000 2.348 107 D HA -0.139 4.501 4.640 0.001 0.000 0.216 107 D C 0.182 176.250 176.300 -0.386 0.000 0.970 107 D CA 0.462 53.856 54.000 -1.011 0.000 0.889 107 D CB -0.518 39.398 40.800 -1.472 0.000 0.912 107 D HN 0.342 nan 8.370 nan 0.000 0.524 108 Q N 1.026 120.677 119.800 -0.248 0.000 2.293 108 Q HA 0.142 4.482 4.340 0.001 0.000 0.263 108 Q C -1.807 174.185 176.000 -0.014 0.000 1.002 108 Q CA -1.439 54.296 55.803 -0.113 0.000 0.910 108 Q CB 1.422 30.112 28.738 -0.081 0.000 1.185 108 Q HN 0.084 nan 8.270 nan 0.000 0.401 109 P HA -0.048 nan 4.420 nan 0.000 0.236 109 P C -0.641 176.734 177.300 0.125 0.000 1.177 109 P CA 0.630 63.772 63.100 0.070 0.000 0.773 109 P CB 0.391 32.115 31.700 0.040 0.000 0.878 110 L N -1.128 120.148 121.223 0.089 0.000 2.381 110 L HA 0.727 5.067 4.340 0.001 0.000 0.274 110 L C -0.344 176.581 176.870 0.092 0.000 0.988 110 L CA -0.748 54.173 54.840 0.135 0.000 0.824 110 L CB 1.390 43.499 42.059 0.084 0.000 1.263 110 L HN -0.170 nan 8.230 nan 0.000 0.410 111 A N 2.808 125.703 122.820 0.125 0.000 3.886 111 A HA 0.976 5.297 4.320 0.001 0.000 0.217 111 A C 0.452 178.034 177.584 -0.004 0.000 0.876 111 A CA -0.236 51.817 52.037 0.028 0.000 0.726 111 A CB -0.239 18.763 19.000 0.005 0.000 1.479 111 A HN 1.729 nan 8.150 nan 0.000 0.792 112 G N -1.000 107.772 108.800 -0.047 0.000 2.633 112 G HA2 -0.108 3.853 3.960 0.001 0.000 0.263 112 G HA3 -0.108 3.853 3.960 0.001 0.000 0.263 112 G C 0.910 175.749 174.900 -0.102 0.000 1.310 112 G CA 0.541 45.606 45.100 -0.057 0.000 0.914 112 G HN 1.466 nan 8.290 nan 0.000 0.569 113 S N -0.297 115.371 115.700 -0.053 0.000 2.447 113 S HA 0.049 4.520 4.470 0.001 0.000 0.233 113 S C 2.073 176.633 174.600 -0.065 0.000 1.006 113 S CA 1.794 59.951 58.200 -0.071 0.000 0.957 113 S CB -0.270 63.052 63.200 0.202 0.000 0.773 113 S HN 0.453 nan 8.310 nan 0.000 0.507 114 F N 2.496 122.308 119.950 -0.230 0.000 2.102 114 F HA -0.060 4.468 4.527 0.001 0.000 0.298 114 F C 2.330 177.961 175.800 -0.282 0.000 1.105 114 F CA 0.748 58.581 58.000 -0.278 0.000 1.239 114 F CB -1.373 37.563 39.000 -0.106 0.000 0.991 114 F HN 0.229 nan 8.300 nan 0.000 0.474 115 N N -0.211 118.478 118.700 -0.019 0.000 2.270 115 N HA -0.149 4.592 4.740 0.001 0.000 0.181 115 N C 1.710 177.077 175.510 -0.238 0.000 1.016 115 N CA 0.844 53.820 53.050 -0.123 0.000 0.870 115 N CB -0.076 38.349 38.487 -0.103 0.000 0.979 115 N HN 0.081 nan 8.380 nan 0.000 0.431 116 Q N 0.153 119.745 119.800 -0.348 0.000 2.119 116 Q HA -0.023 4.317 4.340 0.001 0.000 0.201 116 Q C 2.083 177.876 176.000 -0.345 0.000 0.972 116 Q CA 0.841 56.386 55.803 -0.431 0.000 0.847 116 Q CB -0.292 28.073 28.738 -0.622 0.000 0.903 116 Q HN 0.487 nan 8.270 nan 0.000 0.433 117 L N 0.448 121.465 121.223 -0.345 0.000 2.156 117 L HA -0.119 4.222 4.340 0.001 0.000 0.208 117 L C 2.529 179.226 176.870 -0.289 0.000 1.095 117 L CA 0.889 55.523 54.840 -0.344 0.000 0.770 117 L CB -0.314 41.509 42.059 -0.393 0.000 0.914 117 L HN 0.173 nan 8.230 nan 0.000 0.439 118 K N 0.253 120.490 120.400 -0.271 0.000 2.057 118 K HA -0.214 4.107 4.320 0.001 0.000 0.207 118 K C 2.067 178.555 176.600 -0.186 0.000 1.049 118 K CA 1.423 57.573 56.287 -0.228 0.000 0.931 118 K CB 0.040 32.423 32.500 -0.194 0.000 0.714 118 K HN 0.361 nan 8.250 nan 0.000 0.440 119 Q N 0.248 119.934 119.800 -0.190 0.000 2.167 119 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 119 Q C 2.093 178.001 176.000 -0.153 0.000 0.970 119 Q CA 0.965 56.671 55.803 -0.162 0.000 0.855 119 Q CB -0.039 28.596 28.738 -0.172 0.000 0.911 119 Q HN 0.230 nan 8.270 nan 0.000 0.438 120 L N 1.208 122.324 121.223 -0.178 0.000 2.093 120 L HA -0.142 4.198 4.340 0.001 0.000 0.208 120 L C 1.813 178.603 176.870 -0.134 0.000 1.085 120 L CA 1.761 56.508 54.840 -0.156 0.000 0.755 120 L CB -0.122 41.828 42.059 -0.181 0.000 0.904 120 L HN -0.025 nan 8.230 nan 0.000 0.435 121 K N -0.646 119.665 120.400 -0.149 0.000 2.147 121 K HA -0.063 4.257 4.320 0.001 0.000 0.205 121 K C 1.969 178.504 176.600 -0.108 0.000 1.049 121 K CA 1.112 57.321 56.287 -0.131 0.000 0.936 121 K CB -0.326 32.084 32.500 -0.151 0.000 0.722 121 K HN 0.426 nan 8.250 nan 0.000 0.446 122 A N 1.591 124.345 122.820 -0.109 0.000 2.125 122 A HA -0.142 4.179 4.320 0.001 0.000 0.219 122 A C 1.482 179.019 177.584 -0.077 0.000 1.156 122 A CA 1.289 53.272 52.037 -0.090 0.000 0.671 122 A CB -0.099 18.846 19.000 -0.091 0.000 0.794 122 A HN 0.211 nan 8.150 nan 0.000 0.459 123 K N -0.512 119.840 120.400 -0.080 0.000 2.358 123 K HA 0.151 4.471 4.320 0.001 0.000 0.200 123 K C -0.622 175.942 176.600 -0.060 0.000 1.030 123 K CA -0.067 56.180 56.287 -0.066 0.000 1.097 123 K CB 0.460 32.920 32.500 -0.067 0.000 0.862 123 K HN 0.270 nan 8.250 nan 0.000 0.534 124 N N 1.795 120.454 118.700 -0.067 0.000 2.675 124 N HA 0.093 4.834 4.740 0.001 0.000 0.254 124 N C -2.351 173.118 175.510 -0.067 0.000 1.224 124 N CA -0.963 52.051 53.050 -0.060 0.000 0.777 124 N CB 1.704 40.154 38.487 -0.061 0.000 1.256 124 N HN -0.097 nan 8.380 nan 0.000 0.531 125 P HA -0.215 nan 4.420 nan 0.000 0.218 125 P C 0.966 178.224 177.300 -0.071 0.000 1.146 125 P CA 1.411 64.473 63.100 -0.063 0.000 0.813 125 P CB 0.409 32.078 31.700 -0.052 0.000 0.778 126 K N -1.156 119.203 120.400 -0.068 0.000 2.400 126 K HA 0.079 4.399 4.320 0.001 0.000 0.194 126 K C 0.866 177.395 176.600 -0.118 0.000 1.033 126 K CA -0.269 55.969 56.287 -0.082 0.000 1.021 126 K CB -0.405 32.059 32.500 -0.060 0.000 0.808 126 K HN 0.024 nan 8.250 nan 0.000 0.505 127 L N 2.814 123.972 121.223 -0.109 0.000 2.410 127 L HA 0.174 4.515 4.340 0.001 0.000 0.273 127 L C -0.774 176.003 176.870 -0.155 0.000 1.144 127 L CA 0.360 55.122 54.840 -0.129 0.000 0.863 127 L CB 0.586 42.590 42.059 -0.092 0.000 1.140 127 L HN 0.064 nan 8.230 nan 0.000 0.463 128 K N 3.599 123.873 120.400 -0.211 0.000 2.208 128 K HA 0.703 5.023 4.320 0.001 0.000 0.247 128 K C -1.432 175.136 176.600 -0.054 0.000 0.953 128 K CA -0.967 55.230 56.287 -0.151 0.000 0.837 128 K CB 2.276 34.647 32.500 -0.215 0.000 1.131 128 K HN 0.378 nan 8.250 nan 0.000 0.431 129 V N 3.706 123.610 119.914 -0.017 0.000 2.531 129 V HA 0.391 4.512 4.120 0.001 0.000 0.301 129 V C -0.534 175.677 176.094 0.194 0.000 1.034 129 V CA -0.790 61.513 62.300 0.005 0.000 0.865 129 V CB 1.590 33.271 31.823 -0.237 0.000 0.995 129 V HN 0.689 nan 8.190 nan 0.000 0.424 130 M N 4.953 124.720 119.600 0.278 0.000 2.598 130 M HA 0.595 5.076 4.480 0.001 0.000 0.317 130 M C -0.844 175.629 176.300 0.289 0.000 1.179 130 M CA -0.787 54.696 55.300 0.305 0.000 0.936 130 M CB 2.328 35.052 32.600 0.208 0.000 1.713 130 M HN 0.557 nan 8.290 nan 0.000 0.460 131 I N 1.420 121.992 120.570 0.003 0.000 2.321 131 I HA 0.292 4.462 4.170 0.001 0.000 0.291 131 I C -0.542 175.517 176.117 -0.095 0.000 0.998 131 I CA 0.216 61.334 61.300 -0.303 0.000 1.227 131 I CB 1.062 38.325 38.000 -1.229 0.000 1.368 131 I HN 0.560 nan 8.210 nan 0.000 0.466 132 S N 7.854 123.622 115.700 0.114 0.000 2.452 132 S HA 0.562 5.032 4.470 0.001 0.000 0.284 132 S C -0.301 174.569 174.600 0.451 0.000 1.171 132 S CA -0.571 57.822 58.200 0.321 0.000 1.064 132 S CB 0.396 63.906 63.200 0.516 0.000 0.967 132 S HN 0.488 nan 8.310 nan 0.000 0.484 133 L N 3.431 124.881 121.223 0.378 0.000 2.289 133 L HA 0.670 5.010 4.340 0.001 0.000 0.285 133 L C 1.144 178.327 176.870 0.522 0.000 1.049 133 L CA -0.211 54.877 54.840 0.414 0.000 0.804 133 L CB 0.799 43.061 42.059 0.339 0.000 1.195 133 L HN 0.944 nan 8.230 nan 0.000 0.428 134 G N 2.386 111.442 108.800 0.426 0.000 2.848 134 G HA2 0.201 4.162 3.960 0.001 0.000 0.246 134 G HA3 0.201 4.162 3.960 0.001 0.000 0.246 134 G C 0.174 174.881 174.900 -0.321 0.000 1.374 134 G CA -0.151 45.144 45.100 0.324 0.000 0.982 134 G HN 1.550 nan 8.290 nan 0.000 0.563 135 G N -2.371 106.161 108.800 -0.447 0.000 2.592 135 G HA2 0.108 4.069 3.960 0.001 0.000 0.684 135 G HA3 0.108 4.069 3.960 0.001 0.000 0.684 135 G C 0.664 175.324 174.900 -0.400 0.000 1.291 135 G CA 0.519 45.066 45.100 -0.922 0.000 0.891 135 G HN 2.005 nan 8.290 nan 0.000 0.544 136 W N -0.021 120.980 121.300 -0.498 0.000 2.342 136 W HA -0.132 4.529 4.660 0.001 0.000 0.297 136 W C 1.997 178.374 176.519 -0.236 0.000 1.213 136 W CA 2.460 59.603 57.345 -0.338 0.000 1.251 136 W CB -0.416 28.862 29.460 -0.302 0.000 1.136 136 W HN 0.587 nan 8.180 nan 0.000 0.526 137 T N -0.821 113.608 114.554 -0.207 0.000 3.043 137 T HA -0.097 4.253 4.350 0.001 0.000 0.263 137 T C 0.263 174.980 174.700 0.027 0.000 1.094 137 T CA 0.716 62.697 62.100 -0.198 0.000 1.127 137 T CB -0.305 68.398 68.868 -0.274 0.000 0.905 137 T HN 0.035 nan 8.240 nan 0.000 0.490 138 W N 1.620 122.809 121.300 -0.186 0.000 2.159 138 W HA 0.578 5.239 4.660 0.001 0.000 0.375 138 W C 0.649 177.104 176.519 -0.107 0.000 0.794 138 W CA -1.447 55.822 57.345 -0.127 0.000 2.716 138 W CB -0.659 28.757 29.460 -0.073 0.000 1.583 138 W HN 0.068 nan 8.180 nan 0.000 0.702 139 S N -0.486 115.266 115.700 0.086 0.000 2.539 139 S HA -0.023 4.448 4.470 0.001 0.000 0.221 139 S C 1.884 176.510 174.600 0.044 0.000 0.987 139 S CA -0.238 58.068 58.200 0.178 0.000 0.929 139 S CB 0.620 63.894 63.200 0.124 0.000 0.832 139 S HN 0.315 nan 8.310 nan 0.000 0.492 140 K N 2.450 122.825 120.400 -0.042 0.000 2.113 140 K HA -0.084 4.237 4.320 0.001 0.000 0.208 140 K C 0.760 177.291 176.600 -0.115 0.000 1.047 140 K CA 1.381 57.627 56.287 -0.068 0.000 0.928 140 K CB -0.043 32.417 32.500 -0.067 0.000 0.716 140 K HN 0.232 nan 8.250 nan 0.000 0.446 141 N N -0.240 118.330 118.700 -0.216 0.000 2.270 141 N HA -0.003 4.737 4.740 0.001 0.000 0.198 141 N C 0.956 176.235 175.510 -0.384 0.000 1.117 141 N CA 0.201 53.089 53.050 -0.271 0.000 0.845 141 N CB 0.121 38.443 38.487 -0.274 0.000 0.980 141 N HN 0.104 nan 8.380 nan 0.000 0.486 142 F N 1.588 121.191 119.950 -0.579 0.000 2.102 142 F HA -0.139 4.388 4.527 0.000 0.000 0.298 142 F C 2.728 177.998 175.800 -0.884 0.000 1.105 142 F CA 1.000 58.399 58.000 -1.001 0.000 1.239 142 F CB -0.528 37.116 39.000 -2.260 0.000 0.991 142 F HN 0.015 nan 8.300 nan 0.000 0.474 143 S N -0.091 115.382 115.700 -0.378 0.000 2.359 143 S HA -0.235 4.235 4.470 0.001 0.000 0.223 143 S C 2.151 176.762 174.600 0.019 0.000 1.039 143 S CA 1.662 59.889 58.200 0.046 0.000 1.042 143 S CB -0.240 63.090 63.200 0.216 0.000 0.915 143 S HN 0.322 nan 8.310 nan 0.000 0.439 144 K N 0.580 120.954 120.400 -0.043 0.000 2.097 144 K HA 0.058 4.379 4.320 0.001 0.000 0.205 144 K C 2.362 178.930 176.600 -0.052 0.000 1.050 144 K CA 1.037 57.301 56.287 -0.037 0.000 0.938 144 K CB -0.340 32.124 32.500 -0.060 0.000 0.718 144 K HN 0.428 nan 8.250 nan 0.000 0.442 145 A N 1.231 123.990 122.820 -0.102 0.000 2.015 145 A HA -0.049 4.271 4.320 0.001 0.000 0.219 145 A C 2.104 179.675 177.584 -0.023 0.000 1.163 145 A CA 1.709 53.692 52.037 -0.091 0.000 0.646 145 A CB -0.313 18.594 19.000 -0.155 0.000 0.806 145 A HN 0.311 nan 8.150 nan 0.000 0.448 146 A N -0.992 121.842 122.820 0.024 0.000 2.308 146 A HA 0.575 4.895 4.320 0.001 0.000 0.217 146 A C 2.055 179.704 177.584 0.108 0.000 1.216 146 A CA 1.011 53.117 52.037 0.115 0.000 0.864 146 A CB -0.559 18.602 19.000 0.268 0.000 0.902 146 A HN 0.806 nan 8.150 nan 0.000 0.499 147 A N 0.324 123.185 122.820 0.068 0.000 1.917 147 A HA 0.050 4.371 4.320 0.001 0.000 0.219 147 A C 1.639 179.250 177.584 0.044 0.000 1.182 147 A CA 2.084 54.157 52.037 0.060 0.000 0.633 147 A CB -0.775 18.246 19.000 0.035 0.000 0.819 147 A HN 0.829 nan 8.150 nan 0.000 0.448 148 T N -5.106 109.462 114.554 0.024 0.000 2.907 148 T HA 0.494 4.844 4.350 0.001 0.000 0.290 148 T C 0.516 175.219 174.700 0.004 0.000 1.066 148 T CA 0.101 62.209 62.100 0.013 0.000 1.012 148 T CB 1.777 70.646 68.868 0.002 0.000 1.184 148 T HN 0.274 nan 8.240 nan 0.000 0.522 149 E N 0.239 120.438 120.200 -0.001 0.000 2.110 149 E HA -0.132 4.218 4.350 0.001 0.000 0.193 149 E C 2.162 178.748 176.600 -0.023 0.000 0.988 149 E CA 1.350 57.744 56.400 -0.010 0.000 0.804 149 E CB -0.487 29.207 29.700 -0.009 0.000 0.745 149 E HN 0.743 nan 8.360 nan 0.000 0.458 150 A N 0.914 123.721 122.820 -0.022 0.000 1.873 150 A HA -0.190 4.130 4.320 0.001 0.000 0.215 150 A C 2.369 179.928 177.584 -0.040 0.000 1.186 150 A CA 2.055 54.074 52.037 -0.030 0.000 0.616 150 A CB -0.807 18.178 19.000 -0.026 0.000 0.823 150 A HN 0.461 nan 8.150 nan 0.000 0.442 151 S N -0.082 115.597 115.700 -0.035 0.000 2.383 151 S HA -0.171 4.299 4.470 0.001 0.000 0.227 151 S C 2.014 176.580 174.600 -0.056 0.000 1.026 151 S CA 1.183 59.357 58.200 -0.044 0.000 0.981 151 S CB -0.472 62.708 63.200 -0.034 0.000 0.818 151 S HN 0.598 nan 8.310 nan 0.000 0.472 152 R N 0.647 121.119 120.500 -0.047 0.000 2.075 152 R HA -0.009 4.332 4.340 0.001 0.000 0.232 152 R C 2.761 178.981 176.300 -0.134 0.000 1.126 152 R CA 1.322 57.379 56.100 -0.072 0.000 0.963 152 R CB -0.419 29.858 30.300 -0.039 0.000 0.858 152 R HN 0.455 nan 8.270 nan 0.000 0.435 153 Q N 1.676 121.415 119.800 -0.103 0.000 2.084 153 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 153 Q C 1.882 177.810 176.000 -0.119 0.000 0.978 153 Q CA 1.678 57.414 55.803 -0.112 0.000 0.844 153 Q CB -0.020 28.675 28.738 -0.072 0.000 0.898 153 Q HN 0.220 nan 8.270 nan 0.000 0.426 154 K N -0.130 120.212 120.400 -0.096 0.000 2.026 154 K HA -0.169 4.152 4.320 0.001 0.000 0.208 154 K C 2.289 178.829 176.600 -0.100 0.000 1.048 154 K CA 1.198 57.433 56.287 -0.087 0.000 0.929 154 K CB -0.219 32.238 32.500 -0.072 0.000 0.713 154 K HN 0.188 nan 8.250 nan 0.000 0.439 155 L N 1.038 122.192 121.223 -0.115 0.000 1.994 155 L HA -0.156 4.184 4.340 0.001 0.000 0.208 155 L C 2.057 178.833 176.870 -0.156 0.000 1.071 155 L CA 1.536 56.313 54.840 -0.105 0.000 0.745 155 L CB -0.611 41.394 42.059 -0.090 0.000 0.892 155 L HN 0.005 nan 8.230 nan 0.000 0.431 156 V N -0.773 118.928 119.914 -0.354 0.000 2.287 156 V HA -0.315 3.806 4.120 0.001 0.000 0.248 156 V C 2.803 178.769 176.094 -0.214 0.000 1.053 156 V CA 1.969 63.941 62.300 -0.548 0.000 1.027 156 V CB -1.040 30.332 31.823 -0.751 0.000 0.646 156 V HN 0.674 nan 8.190 nan 0.000 0.447 157 S N 0.465 116.066 115.700 -0.164 0.000 2.359 157 S HA -0.225 4.246 4.470 0.001 0.000 0.224 157 S C 2.326 176.873 174.600 -0.088 0.000 1.035 157 S CA 2.231 60.364 58.200 -0.112 0.000 1.018 157 S CB -0.439 62.705 63.200 -0.094 0.000 0.876 157 S HN 0.843 nan 8.310 nan 0.000 0.448 158 S N 0.251 115.910 115.700 -0.068 0.000 2.382 158 S HA -0.117 4.354 4.470 0.001 0.000 0.228 158 S C 2.111 176.698 174.600 -0.022 0.000 1.027 158 S CA 1.339 59.511 58.200 -0.046 0.000 0.991 158 S CB -1.318 61.865 63.200 -0.027 0.000 0.823 158 S HN 0.704 nan 8.310 nan 0.000 0.469 159 c N 1.254 119.886 118.600 0.053 0.000 2.457 159 c HA 0.246 4.816 4.570 0.001 0.000 0.278 159 c C 2.626 176.784 174.090 0.114 0.000 1.309 159 c CA 0.200 56.636 56.329 0.180 0.000 1.735 159 c CB -1.409 41.318 42.510 0.361 0.000 1.992 159 c HN 0.600 nan 8.230 nan 0.000 0.493 160 I N 1.157 121.738 120.570 0.018 0.000 2.353 160 I HA -0.166 4.004 4.170 0.001 0.000 0.248 160 I C 2.281 178.270 176.117 -0.212 0.000 1.119 160 I CA 1.859 63.092 61.300 -0.111 0.000 1.417 160 I CB -0.496 37.399 38.000 -0.175 0.000 1.078 160 I HN 0.318 nan 8.210 nan 0.000 0.421 161 D N 0.865 121.155 120.400 -0.183 0.000 2.117 161 D HA -0.214 4.427 4.640 0.001 0.000 0.197 161 D C 2.014 178.201 176.300 -0.188 0.000 0.987 161 D CA 1.159 55.043 54.000 -0.193 0.000 0.829 161 D CB 0.123 40.839 40.800 -0.139 0.000 0.961 161 D HN 0.123 nan 8.370 nan 0.000 0.460 162 L N -0.814 120.280 121.223 -0.215 0.000 2.007 162 L HA -0.068 4.273 4.340 0.001 0.000 0.205 162 L C 1.706 178.330 176.870 -0.411 0.000 1.073 162 L CA 1.658 56.282 54.840 -0.359 0.000 0.744 162 L CB -0.793 40.942 42.059 -0.540 0.000 0.898 162 L HN 0.129 nan 8.230 nan 0.000 0.435 163 Y N -1.272 118.937 120.300 -0.150 0.000 2.301 163 Y HA 0.050 4.601 4.550 0.001 0.000 0.295 163 Y C 2.353 178.198 175.900 -0.092 0.000 1.119 163 Y CA 0.545 58.501 58.100 -0.241 0.000 1.162 163 Y CB -0.275 37.871 38.460 -0.523 0.000 1.046 163 Y HN 0.032 nan 8.280 nan 0.000 0.538 164 I N 0.397 120.970 120.570 0.005 0.000 2.277 164 I HA -0.173 3.998 4.170 0.001 0.000 0.243 164 I C 1.808 177.888 176.117 -0.062 0.000 1.094 164 I CA 1.447 62.708 61.300 -0.065 0.000 1.393 164 I CB -1.035 36.768 38.000 -0.328 0.000 1.078 164 I HN 0.190 nan 8.210 nan 0.000 0.417 165 K N 0.502 120.780 120.400 -0.203 0.000 2.296 165 K HA 0.075 4.395 4.320 0.001 0.000 0.200 165 K C 1.215 177.803 176.600 -0.021 0.000 1.048 165 K CA 0.801 57.012 56.287 -0.126 0.000 0.966 165 K CB -0.042 32.319 32.500 -0.231 0.000 0.754 165 K HN 0.480 nan 8.250 nan 0.000 0.466 166 G N 2.294 111.071 108.800 -0.039 0.000 2.149 166 G HA2 -0.190 3.771 3.960 0.001 0.000 0.235 166 G HA3 -0.190 3.771 3.960 0.001 0.000 0.235 166 G C -0.626 174.227 174.900 -0.078 0.000 1.018 166 G CA -0.318 44.767 45.100 -0.025 0.000 0.728 166 G HN 0.217 nan 8.290 nan 0.000 0.508 167 N N 0.705 119.340 118.700 -0.109 0.000 2.402 167 N HA 0.436 5.176 4.740 0.001 0.000 0.252 167 N C 0.532 175.946 175.510 -0.160 0.000 1.118 167 N CA 0.322 53.306 53.050 -0.109 0.000 0.945 167 N CB 0.830 39.262 38.487 -0.091 0.000 1.147 167 N HN 0.449 nan 8.380 nan 0.000 0.495 168 L N 3.419 124.526 121.223 -0.192 0.000 2.334 168 L HA 0.586 4.927 4.340 0.001 0.000 0.272 168 L C -1.869 174.918 176.870 -0.138 0.000 1.020 168 L CA -1.932 52.731 54.840 -0.296 0.000 0.812 168 L CB 1.692 43.338 42.059 -0.688 0.000 1.264 168 L HN 0.210 nan 8.230 nan 0.000 0.439 169 P HA 0.095 nan 4.420 nan 0.000 0.276 169 P C -1.275 176.166 177.300 0.236 0.000 1.252 169 P CA -0.629 62.530 63.100 0.099 0.000 0.802 169 P CB 0.575 32.352 31.700 0.129 0.000 1.035 170 N N 0.875 119.713 118.700 0.230 0.000 2.475 170 N HA 0.240 4.980 4.740 0.001 0.000 0.267 170 N C -0.674 175.089 175.510 0.422 0.000 1.169 170 N CA 0.509 53.728 53.050 0.282 0.000 0.947 170 N CB -0.252 38.344 38.487 0.181 0.000 1.061 170 N HN 0.431 nan 8.380 nan 0.000 0.466 171 F N 1.377 121.487 119.950 0.266 0.000 2.623 171 F HA 0.120 4.648 4.527 0.001 0.000 0.323 171 F C -0.282 175.606 175.800 0.146 0.000 1.158 171 F CA -0.641 57.471 58.000 0.187 0.000 1.030 171 F CB 0.907 40.011 39.000 0.174 0.000 1.280 171 F HN 0.342 nan 8.300 nan 0.000 0.474 172 E N 4.118 124.019 120.200 -0.498 0.000 2.269 172 E HA -0.233 4.118 4.350 0.001 0.000 0.223 172 E C 1.067 177.649 176.600 -0.030 0.000 1.244 172 E CA 1.468 57.660 56.400 -0.346 0.000 0.713 172 E CB -1.403 28.025 29.700 -0.454 0.000 1.178 172 E HN 1.466 nan 8.360 nan 0.000 0.370 173 G N -0.410 108.414 108.800 0.040 0.000 2.155 173 G HA2 -0.350 3.611 3.960 0.001 0.000 0.257 173 G HA3 -0.350 3.611 3.960 0.001 0.000 0.257 173 G C 0.310 175.309 174.900 0.165 0.000 0.983 173 G CA 0.925 46.091 45.100 0.111 0.000 0.676 173 G HN 0.270 nan 8.290 nan 0.000 0.528 174 R N -0.618 120.018 120.500 0.226 0.000 2.922 174 R HA 0.841 5.182 4.340 0.001 0.000 0.256 174 R C 0.701 177.260 176.300 0.431 0.000 1.138 174 R CA 0.219 56.511 56.100 0.320 0.000 0.995 174 R CB 0.742 31.279 30.300 0.395 0.000 1.226 174 R HN 1.648 nan 8.270 nan 0.000 0.481 175 G N -0.938 108.097 108.800 0.390 0.000 2.610 175 G HA2 0.297 4.258 3.960 0.001 0.000 0.304 175 G HA3 0.297 4.258 3.960 0.001 0.000 0.304 175 G C -0.155 174.792 174.900 0.079 0.000 1.309 175 G CA 0.011 45.220 45.100 0.183 0.000 0.906 175 G HN 1.288 nan 8.290 nan 0.000 0.521 176 G N -2.020 106.790 108.800 0.017 0.000 2.440 176 G HA2 0.561 4.521 3.960 0.001 0.000 0.684 176 G HA3 0.561 4.521 3.960 0.001 0.000 0.684 176 G C 0.246 175.135 174.900 -0.019 0.000 1.309 176 G CA 0.867 45.977 45.100 0.018 0.000 0.931 176 G HN 2.649 nan 8.290 nan 0.000 0.612 177 A N -0.247 122.570 122.820 -0.006 0.000 2.546 177 A HA 0.623 4.943 4.320 0.001 0.000 0.243 177 A C 2.034 179.611 177.584 -0.011 0.000 1.063 177 A CA 2.148 54.177 52.037 -0.014 0.000 0.757 177 A CB -0.229 18.771 19.000 -0.000 0.000 0.991 177 A HN 2.928 nan 8.150 nan 0.000 0.503 178 G N 1.036 109.826 108.800 -0.018 0.000 2.166 178 G HA2 -0.086 3.875 3.960 0.001 0.000 0.260 178 G HA3 -0.086 3.875 3.960 0.001 0.000 0.260 178 G C 1.164 176.058 174.900 -0.011 0.000 0.986 178 G CA 1.257 46.355 45.100 -0.004 0.000 0.683 178 G HN 2.025 nan 8.290 nan 0.000 0.527 179 A N -0.139 122.663 122.820 -0.030 0.000 1.908 179 A HA 0.329 4.650 4.320 0.001 0.000 0.218 179 A C 2.454 180.028 177.584 -0.016 0.000 1.181 179 A CA 2.294 54.315 52.037 -0.027 0.000 0.627 179 A CB -0.408 18.557 19.000 -0.059 0.000 0.818 179 A HN 1.873 nan 8.150 nan 0.000 0.445 180 A N -1.080 121.729 122.820 -0.018 0.000 2.507 180 A HA 0.664 4.985 4.320 0.001 0.000 0.270 180 A C 0.925 178.504 177.584 -0.008 0.000 1.318 180 A CA 0.449 52.484 52.037 -0.002 0.000 0.924 180 A CB -0.944 18.085 19.000 0.050 0.000 1.061 180 A HN 1.022 nan 8.150 nan 0.000 0.516 181 A N -0.981 121.843 122.820 0.006 0.000 2.531 181 A HA 0.427 4.748 4.320 0.001 0.000 0.236 181 A C 1.741 179.336 177.584 0.018 0.000 1.062 181 A CA 0.783 52.843 52.037 0.037 0.000 0.760 181 A CB -0.474 18.552 19.000 0.043 0.000 0.995 181 A HN 2.009 nan 8.150 nan 0.000 0.501 182 G N 1.220 110.060 108.800 0.067 0.000 2.245 182 G HA2 -0.330 3.630 3.960 0.001 0.000 0.264 182 G HA3 -0.330 3.630 3.960 0.001 0.000 0.264 182 G C 0.905 175.784 174.900 -0.036 0.000 0.985 182 G CA 0.845 45.969 45.100 0.040 0.000 0.625 182 G HN 0.742 nan 8.290 nan 0.000 0.536 183 I N -0.415 120.074 120.570 -0.135 0.000 2.233 183 I HA 0.137 4.308 4.170 0.001 0.000 0.243 183 I C 1.061 176.920 176.117 -0.430 0.000 1.093 183 I CA 0.702 61.784 61.300 -0.364 0.000 1.380 183 I CB -0.190 37.433 38.000 -0.629 0.000 1.067 183 I HN 0.091 nan 8.210 nan 0.000 0.413 184 F N 1.862 121.778 119.950 -0.057 0.000 2.424 184 F HA 0.111 4.638 4.527 0.001 0.000 0.356 184 F C 1.149 177.032 175.800 0.137 0.000 1.110 184 F CA -0.293 57.701 58.000 -0.010 0.000 1.161 184 F CB 0.327 39.299 39.000 -0.047 0.000 1.115 184 F HN 0.004 nan 8.300 nan 0.000 0.507 185 D N 1.978 122.559 120.400 0.301 0.000 2.349 185 D HA 0.245 4.885 4.640 0.001 0.000 0.214 185 D C 0.973 177.524 176.300 0.417 0.000 1.063 185 D CA 0.431 54.623 54.000 0.321 0.000 0.847 185 D CB 0.770 41.660 40.800 0.150 0.000 0.933 185 D HN 0.709 nan 8.370 nan 0.000 0.513 186 G N 0.203 109.218 108.800 0.358 0.000 2.342 186 G HA2 0.434 4.395 3.960 0.001 0.000 0.297 186 G HA3 0.434 4.395 3.960 0.001 0.000 0.297 186 G C -1.832 173.143 174.900 0.126 0.000 1.313 186 G CA -0.831 44.427 45.100 0.264 0.000 0.830 186 G HN 0.012 nan 8.290 nan 0.000 0.506 187 I N 0.508 121.095 120.570 0.028 0.000 2.509 187 I HA 0.405 4.575 4.170 0.001 0.000 0.293 187 I C -1.385 174.667 176.117 -0.108 0.000 1.020 187 I CA -0.635 60.613 61.300 -0.088 0.000 1.088 187 I CB 2.355 40.241 38.000 -0.191 0.000 1.267 187 I HN 0.509 nan 8.210 nan 0.000 0.430 188 D N 6.644 127.012 120.400 -0.052 0.000 2.344 188 D HA 0.403 5.044 4.640 0.001 0.000 0.239 188 D C -0.883 175.473 176.300 0.092 0.000 1.064 188 D CA -0.367 53.638 54.000 0.009 0.000 0.829 188 D CB 1.188 42.036 40.800 0.081 0.000 1.129 188 D HN 0.137 nan 8.370 nan 0.000 0.506 189 I N 3.492 124.127 120.570 0.109 0.000 2.304 189 I HA 0.226 4.397 4.170 0.001 0.000 0.291 189 I C -0.393 175.940 176.117 0.360 0.000 1.018 189 I CA -0.480 60.954 61.300 0.224 0.000 1.260 189 I CB 1.123 39.252 38.000 0.216 0.000 1.390 189 I HN 0.396 nan 8.210 nan 0.000 0.475 190 D N 6.411 127.014 120.400 0.338 0.000 2.634 190 D HA 0.083 4.723 4.640 0.001 0.000 0.318 190 D C -0.466 175.873 176.300 0.064 0.000 1.226 190 D CA -0.174 53.999 54.000 0.290 0.000 0.899 190 D CB 0.258 41.242 40.800 0.306 0.000 1.025 190 D HN 0.350 nan 8.370 nan 0.000 0.501 191 W N 2.240 123.313 121.300 -0.378 0.000 2.387 191 W HA 0.315 4.975 4.660 0.000 0.000 0.310 191 W C -0.560 175.664 176.519 -0.492 0.000 1.181 191 W CA -0.972 55.900 57.345 -0.789 0.000 1.333 191 W CB 0.210 28.898 29.460 -1.287 0.000 1.286 191 W HN 0.097 nan 8.180 nan 0.000 0.455 192 E N 6.070 126.121 120.200 -0.247 0.000 2.183 192 E HA 0.236 4.587 4.350 0.001 0.000 0.250 192 E C -1.385 174.946 176.600 -0.448 0.000 0.901 192 E CA -0.238 55.512 56.400 -1.084 0.000 0.741 192 E CB 0.782 29.695 29.700 -1.311 0.000 1.182 192 E HN 0.305 nan 8.360 nan 0.000 0.425 193 W N 3.618 124.935 121.300 0.028 0.000 3.138 193 W HA 0.307 4.967 4.660 0.000 0.000 0.331 193 W C -2.419 173.791 176.519 -0.516 0.000 1.166 193 W CA -2.194 55.033 57.345 -0.196 0.000 1.212 193 W CB 1.250 30.649 29.460 -0.103 0.000 1.399 193 W HN 0.226 nan 8.180 nan 0.000 0.514 194 P HA 0.143 nan 4.420 nan 0.000 0.271 194 P C 0.731 177.771 177.300 -0.433 0.000 1.216 194 P CA 0.871 63.198 63.100 -1.289 0.000 0.776 194 P CB 1.140 31.400 31.700 -2.401 0.000 0.881 195 G N 0.657 109.329 108.800 -0.212 0.000 2.168 195 G HA2 -0.211 3.749 3.960 0.001 0.000 0.263 195 G HA3 -0.211 3.749 3.960 0.001 0.000 0.263 195 G C 0.214 175.107 174.900 -0.012 0.000 0.977 195 G CA 0.676 45.733 45.100 -0.072 0.000 0.659 195 G HN 0.931 nan 8.290 nan 0.000 0.533 196 T N -1.738 112.827 114.554 0.019 0.000 2.853 196 T HA 0.547 4.898 4.350 0.001 0.000 0.311 196 T C -0.043 174.708 174.700 0.084 0.000 1.307 196 T CA 0.226 62.354 62.100 0.048 0.000 1.019 196 T CB 1.562 70.452 68.868 0.037 0.000 1.264 196 T HN 0.197 nan 8.240 nan 0.000 0.497 197 N N 1.079 119.824 118.700 0.076 0.000 2.327 197 N HA 0.148 4.888 4.740 0.001 0.000 0.231 197 N C 1.508 177.075 175.510 0.095 0.000 1.130 197 N CA 0.508 53.603 53.050 0.076 0.000 0.845 197 N CB 0.119 38.640 38.487 0.056 0.000 1.073 197 N HN 0.524 nan 8.380 nan 0.000 0.496 198 S N -2.652 113.133 115.700 0.141 0.000 2.522 198 S HA 0.149 4.620 4.470 0.001 0.000 0.227 198 S C 1.235 176.015 174.600 0.301 0.000 0.986 198 S CA 0.050 58.368 58.200 0.196 0.000 0.929 198 S CB -0.161 63.141 63.200 0.170 0.000 0.769 198 S HN 0.235 nan 8.310 nan 0.000 0.529 199 G N 1.355 110.274 108.800 0.198 0.000 2.494 199 G HA2 0.484 4.445 3.960 0.001 0.000 0.270 199 G HA3 0.484 4.445 3.960 0.001 0.000 0.270 199 G C -0.329 174.309 174.900 -0.437 0.000 1.423 199 G CA -0.867 44.147 45.100 -0.145 0.000 1.055 199 G HN 0.411 nan 8.290 nan 0.000 0.536 200 L N 0.672 121.270 121.223 -1.042 0.000 2.525 200 L HA 0.448 4.788 4.340 0.001 0.000 0.278 200 L C 1.109 177.820 176.870 -0.265 0.000 1.218 200 L CA -0.112 54.312 54.840 -0.693 0.000 0.878 200 L CB 0.008 41.554 42.059 -0.855 0.000 1.127 200 L HN 0.674 nan 8.230 nan 0.000 0.492 201 A N 3.891 126.645 122.820 -0.111 0.000 2.540 201 A HA 0.460 4.780 4.320 0.001 0.000 0.239 201 A C 1.326 178.877 177.584 -0.056 0.000 1.061 201 A CA 0.438 52.448 52.037 -0.045 0.000 0.758 201 A CB -0.478 18.522 19.000 -0.001 0.000 0.991 201 A HN 1.832 nan 8.150 nan 0.000 0.502 202 G N 1.938 110.718 108.800 -0.033 0.000 2.232 202 G HA2 -0.223 3.737 3.960 0.001 0.000 0.226 202 G HA3 -0.223 3.737 3.960 0.001 0.000 0.226 202 G C 0.277 175.159 174.900 -0.031 0.000 0.996 202 G CA 0.160 45.242 45.100 -0.029 0.000 0.626 202 G HN 0.852 nan 8.290 nan 0.000 0.509 203 N N 1.464 120.138 118.700 -0.044 0.000 2.416 203 N HA 0.451 5.191 4.740 0.001 0.000 0.246 203 N C 0.938 176.466 175.510 0.030 0.000 1.260 203 N CA 0.901 53.940 53.050 -0.018 0.000 0.897 203 N CB 0.490 38.972 38.487 -0.007 0.000 1.110 203 N HN 0.623 nan 8.380 nan 0.000 0.439 204 G N -0.336 108.489 108.800 0.041 0.000 2.406 204 G HA2 0.426 4.387 3.960 0.001 0.000 0.251 204 G HA3 0.426 4.387 3.960 0.001 0.000 0.251 204 G C -0.631 174.357 174.900 0.146 0.000 1.271 204 G CA -0.178 44.959 45.100 0.061 0.000 0.859 204 G HN 0.327 nan 8.290 nan 0.000 0.540 205 V N 2.742 122.733 119.914 0.128 0.000 2.777 205 V HA 0.369 4.490 4.120 0.001 0.000 0.306 205 V C -1.284 174.881 176.094 0.119 0.000 1.112 205 V CA -0.850 61.543 62.300 0.156 0.000 0.917 205 V CB 2.309 34.200 31.823 0.114 0.000 1.018 205 V HN 0.780 nan 8.190 nan 0.000 0.426 206 D N 2.631 123.110 120.400 0.132 0.000 2.375 206 D HA 0.204 4.844 4.640 0.001 0.000 0.259 206 D C 1.239 177.581 176.300 0.070 0.000 1.235 206 D CA 0.180 54.237 54.000 0.095 0.000 0.924 206 D CB 1.943 42.809 40.800 0.110 0.000 1.143 206 D HN 0.708 nan 8.370 nan 0.000 0.529 207 T N -0.545 114.039 114.554 0.050 0.000 2.977 207 T HA -0.091 4.260 4.350 0.001 0.000 0.271 207 T C 1.651 176.365 174.700 0.024 0.000 1.105 207 T CA 0.917 63.035 62.100 0.030 0.000 1.116 207 T CB 0.085 68.970 68.868 0.027 0.000 0.878 207 T HN 0.150 nan 8.240 nan 0.000 0.509 208 V N 1.752 121.685 119.914 0.032 0.000 2.575 208 V HA 0.111 4.231 4.120 0.001 0.000 0.242 208 V C 2.175 178.288 176.094 0.032 0.000 1.045 208 V CA 1.029 63.346 62.300 0.028 0.000 1.065 208 V CB -0.256 31.584 31.823 0.027 0.000 0.717 208 V HN 0.491 nan 8.190 nan 0.000 0.467 209 N N -0.666 118.062 118.700 0.048 0.000 2.250 209 N HA -0.002 4.738 4.740 0.001 0.000 0.190 209 N C 1.085 176.645 175.510 0.084 0.000 1.116 209 N CA 0.294 53.380 53.050 0.060 0.000 0.881 209 N CB 0.239 38.766 38.487 0.065 0.000 1.006 209 N HN 0.322 nan 8.380 nan 0.000 0.491 210 D N 1.823 122.277 120.400 0.090 0.000 2.133 210 D HA -0.176 4.465 4.640 0.001 0.000 0.195 210 D C 1.947 178.267 176.300 0.034 0.000 0.997 210 D CA 0.937 55.002 54.000 0.108 0.000 0.840 210 D CB 0.027 40.842 40.800 0.025 0.000 0.947 210 D HN 0.280 nan 8.370 nan 0.000 0.452 211 R N 0.471 120.960 120.500 -0.018 0.000 2.080 211 R HA -0.143 4.198 4.340 0.001 0.000 0.236 211 R C 2.105 178.423 176.300 0.029 0.000 1.137 211 R CA 1.789 57.874 56.100 -0.025 0.000 0.943 211 R CB -0.208 30.073 30.300 -0.032 0.000 0.846 211 R HN 0.133 nan 8.270 nan 0.000 0.431 212 A N 0.788 123.630 122.820 0.038 0.000 1.929 212 A HA -0.118 4.202 4.320 0.001 0.000 0.216 212 A C 1.748 179.374 177.584 0.069 0.000 1.176 212 A CA 1.442 53.502 52.037 0.037 0.000 0.628 212 A CB -0.470 18.549 19.000 0.032 0.000 0.816 212 A HN 0.414 nan 8.150 nan 0.000 0.444 213 N N -0.848 117.925 118.700 0.121 0.000 2.188 213 N HA -0.108 4.632 4.740 0.001 0.000 0.184 213 N C 1.353 177.020 175.510 0.261 0.000 1.018 213 N CA 1.241 54.395 53.050 0.174 0.000 0.858 213 N CB -0.551 38.065 38.487 0.214 0.000 0.989 213 N HN 0.494 nan 8.380 nan 0.000 0.426 214 F N 2.354 122.358 119.950 0.091 0.000 2.146 214 F HA -0.038 4.489 4.527 0.001 0.000 0.298 214 F C 2.227 178.019 175.800 -0.013 0.000 1.096 214 F CA 1.197 59.243 58.000 0.077 0.000 1.275 214 F CB -0.308 38.576 39.000 -0.193 0.000 1.008 214 F HN -0.074 nan 8.300 nan 0.000 0.480 215 K N 0.290 120.612 120.400 -0.130 0.000 2.057 215 K HA -0.156 4.165 4.320 0.001 0.000 0.207 215 K C 2.185 178.701 176.600 -0.140 0.000 1.049 215 K CA 1.369 57.516 56.287 -0.233 0.000 0.931 215 K CB -0.426 32.004 32.500 -0.117 0.000 0.714 215 K HN 0.271 nan 8.250 nan 0.000 0.440 216 A N 1.227 124.025 122.820 -0.036 0.000 1.930 216 A HA -0.119 4.202 4.320 0.001 0.000 0.217 216 A C 2.028 179.615 177.584 0.005 0.000 1.175 216 A CA 1.179 53.211 52.037 -0.008 0.000 0.627 216 A CB -0.532 18.482 19.000 0.023 0.000 0.815 216 A HN 0.397 nan 8.150 nan 0.000 0.443 217 L N -0.123 121.133 121.223 0.055 0.000 2.017 217 L HA -0.086 4.255 4.340 0.001 0.000 0.208 217 L C 2.258 179.216 176.870 0.147 0.000 1.073 217 L CA 1.687 56.601 54.840 0.123 0.000 0.745 217 L CB -0.519 41.738 42.059 0.330 0.000 0.894 217 L HN 0.396 nan 8.230 nan 0.000 0.432 218 L N -0.627 120.589 121.223 -0.012 0.000 2.083 218 L HA -0.180 4.160 4.340 0.001 0.000 0.209 218 L C 2.637 179.524 176.870 0.028 0.000 1.083 218 L CA 1.116 55.941 54.840 -0.026 0.000 0.752 218 L CB -0.939 40.893 42.059 -0.378 0.000 0.899 218 L HN 0.395 nan 8.230 nan 0.000 0.433 219 A N -0.209 122.596 122.820 -0.026 0.000 1.930 219 A HA -0.225 4.095 4.320 0.001 0.000 0.217 219 A C 2.196 179.793 177.584 0.022 0.000 1.175 219 A CA 1.723 53.756 52.037 -0.007 0.000 0.627 219 A CB -0.347 18.638 19.000 -0.024 0.000 0.815 219 A HN 0.357 nan 8.150 nan 0.000 0.443 220 E N -0.756 119.447 120.200 0.004 0.000 2.107 220 E HA -0.093 4.258 4.350 0.001 0.000 0.191 220 E C 1.467 178.045 176.600 -0.038 0.000 0.982 220 E CA 1.035 57.408 56.400 -0.046 0.000 0.809 220 E CB -0.439 29.190 29.700 -0.118 0.000 0.756 220 E HN 0.535 nan 8.360 nan 0.000 0.459 221 F N 0.448 120.402 119.950 0.006 0.000 2.102 221 F HA -0.059 4.468 4.527 0.001 0.000 0.298 221 F C 2.493 178.306 175.800 0.021 0.000 1.105 221 F CA 1.527 59.538 58.000 0.018 0.000 1.239 221 F CB -0.451 38.563 39.000 0.023 0.000 0.991 221 F HN 0.023 nan 8.300 nan 0.000 0.474 222 R N 1.037 121.661 120.500 0.208 0.000 2.083 222 R HA -0.191 4.150 4.340 0.001 0.000 0.237 222 R C 2.197 178.564 176.300 0.113 0.000 1.137 222 R CA 2.009 58.188 56.100 0.133 0.000 0.951 222 R CB -0.582 29.763 30.300 0.076 0.000 0.851 222 R HN 0.216 nan 8.270 nan 0.000 0.434 223 K N -0.061 120.386 120.400 0.079 0.000 2.009 223 K HA -0.199 4.122 4.320 0.001 0.000 0.210 223 K C 2.158 178.800 176.600 0.071 0.000 1.049 223 K CA 1.985 58.309 56.287 0.060 0.000 0.929 223 K CB -0.091 32.427 32.500 0.030 0.000 0.714 223 K HN 0.356 nan 8.250 nan 0.000 0.440 224 Q N 0.271 120.106 119.800 0.058 0.000 2.119 224 Q HA -0.102 4.238 4.340 0.001 0.000 0.201 224 Q C 2.263 178.332 176.000 0.116 0.000 0.972 224 Q CA 1.135 56.972 55.803 0.058 0.000 0.847 224 Q CB 0.018 28.751 28.738 -0.008 0.000 0.903 224 Q HN 0.363 nan 8.270 nan 0.000 0.433 225 L N 0.689 122.001 121.223 0.148 0.000 2.056 225 L HA -0.210 4.130 4.340 0.001 0.000 0.207 225 L C 1.742 178.778 176.870 0.275 0.000 1.078 225 L CA 0.959 55.916 54.840 0.196 0.000 0.749 225 L CB -0.283 41.908 42.059 0.221 0.000 0.901 225 L HN 0.181 nan 8.230 nan 0.000 0.433 226 D N -0.029 120.495 120.400 0.206 0.000 2.178 226 D HA -0.115 4.526 4.640 0.001 0.000 0.202 226 D C 2.205 178.597 176.300 0.155 0.000 0.974 226 D CA 1.319 55.426 54.000 0.178 0.000 0.841 226 D CB 0.016 40.889 40.800 0.121 0.000 0.953 226 D HN 0.299 nan 8.370 nan 0.000 0.478 227 A N 0.363 123.269 122.820 0.143 0.000 1.877 227 A HA -0.229 4.091 4.320 0.001 0.000 0.216 227 A C 2.195 179.877 177.584 0.164 0.000 1.186 227 A CA 1.224 53.334 52.037 0.123 0.000 0.620 227 A CB -1.006 18.055 19.000 0.103 0.000 0.822 227 A HN 0.302 nan 8.150 nan 0.000 0.443 228 Y N 0.848 121.196 120.300 0.080 0.000 2.200 228 Y HA 0.006 4.557 4.550 0.001 0.000 0.290 228 Y C 2.433 178.445 175.900 0.187 0.000 1.137 228 Y CA 1.205 59.359 58.100 0.090 0.000 1.163 228 Y CB -0.828 37.644 38.460 0.020 0.000 0.988 228 Y HN 0.216 nan 8.280 nan 0.000 0.518 229 G N -1.279 107.658 108.800 0.229 0.000 2.448 229 G HA2 -0.217 3.743 3.960 0.001 0.000 0.219 229 G HA3 -0.217 3.743 3.960 0.001 0.000 0.219 229 G C 1.751 176.644 174.900 -0.011 0.000 1.127 229 G CA 1.067 46.265 45.100 0.163 0.000 0.766 229 G HN 0.441 nan 8.290 nan 0.000 0.552 230 S N 0.189 115.896 115.700 0.011 0.000 2.436 230 S HA -0.089 4.381 4.470 0.001 0.000 0.228 230 S C 2.634 177.209 174.600 -0.043 0.000 1.014 230 S CA 1.574 59.769 58.200 -0.009 0.000 0.950 230 S CB -0.211 63.001 63.200 0.019 0.000 0.784 230 S HN 0.709 nan 8.310 nan 0.000 0.504 231 T N 1.271 115.778 114.554 -0.079 0.000 2.985 231 T HA -0.019 4.332 4.350 0.001 0.000 0.266 231 T C 0.906 175.531 174.700 -0.124 0.000 1.076 231 T CA 1.054 63.101 62.100 -0.088 0.000 1.135 231 T CB -0.548 68.275 68.868 -0.076 0.000 0.890 231 T HN 0.710 nan 8.240 nan 0.000 0.480 232 N N 0.015 118.602 118.700 -0.189 0.000 2.291 232 N HA 0.136 4.877 4.740 0.001 0.000 0.244 232 N C 0.013 175.452 175.510 -0.118 0.000 1.216 232 N CA -0.413 52.543 53.050 -0.156 0.000 0.879 232 N CB -0.106 38.252 38.487 -0.214 0.000 1.167 232 N HN 0.203 nan 8.380 nan 0.000 0.515 233 N N 1.570 120.211 118.700 -0.098 0.000 2.688 233 N HA -0.215 4.526 4.740 0.001 0.000 0.258 233 N C -1.482 173.960 175.510 -0.113 0.000 1.016 233 N CA 0.811 53.811 53.050 -0.082 0.000 0.747 233 N CB -0.435 38.014 38.487 -0.063 0.000 0.895 233 N HN 0.395 nan 8.380 nan 0.000 0.543 234 K N 0.804 121.113 120.400 -0.152 0.000 2.477 234 K HA 0.492 4.812 4.320 0.001 0.000 0.255 234 K C -1.090 175.333 176.600 -0.295 0.000 0.952 234 K CA -0.803 55.322 56.287 -0.270 0.000 0.826 234 K CB 1.478 33.732 32.500 -0.410 0.000 1.331 234 K HN 0.160 nan 8.250 nan 0.000 0.437 235 K N 3.043 123.246 120.400 -0.329 0.000 2.473 235 K HA 0.282 4.603 4.320 0.001 0.000 0.246 235 K C -1.403 175.069 176.600 -0.214 0.000 1.011 235 K CA -0.300 55.876 56.287 -0.186 0.000 0.984 235 K CB -0.132 32.323 32.500 -0.075 0.000 1.250 235 K HN 0.328 nan 8.250 nan 0.000 0.454 236 Y N 1.926 122.286 120.300 0.099 0.000 2.301 236 Y HA 0.306 4.856 4.550 0.001 0.000 0.328 236 Y C 0.751 176.728 175.900 0.127 0.000 1.242 236 Y CA -0.523 57.653 58.100 0.127 0.000 1.323 236 Y CB 0.984 39.539 38.460 0.159 0.000 1.266 236 Y HN 0.318 nan 8.280 nan 0.000 0.527 237 V N 1.419 121.514 119.914 0.301 0.000 2.919 237 V HA 0.757 4.877 4.120 0.001 0.000 0.316 237 V C -1.274 174.908 176.094 0.146 0.000 1.077 237 V CA -1.148 61.290 62.300 0.231 0.000 0.977 237 V CB 1.883 33.891 31.823 0.308 0.000 1.039 237 V HN 0.591 nan 8.190 nan 0.000 0.441 238 L N 3.368 124.616 121.223 0.041 0.000 2.381 238 L HA 0.900 5.241 4.340 0.001 0.000 0.274 238 L C 0.017 176.726 176.870 -0.268 0.000 0.988 238 L CA 0.400 55.188 54.840 -0.086 0.000 0.824 238 L CB 1.838 43.863 42.059 -0.057 0.000 1.263 238 L HN 1.238 nan 8.230 nan 0.000 0.410 239 S N 3.431 118.916 115.700 -0.358 0.000 2.740 239 S HA 1.059 5.530 4.470 0.001 0.000 0.300 239 S C -0.754 173.725 174.600 -0.202 0.000 1.147 239 S CA -0.210 57.653 58.200 -0.560 0.000 0.871 239 S CB 1.832 64.368 63.200 -1.107 0.000 1.173 239 S HN 1.322 nan 8.310 nan 0.000 0.510 240 A N 0.188 122.969 122.820 -0.064 0.000 2.612 240 A HA 0.682 5.003 4.320 0.001 0.000 0.293 240 A C -1.718 176.067 177.584 0.334 0.000 1.075 240 A CA -0.669 51.507 52.037 0.232 0.000 0.680 240 A CB 0.943 20.189 19.000 0.409 0.000 1.279 240 A HN 1.210 nan 8.150 nan 0.000 0.411 241 F N 2.424 122.520 119.950 0.243 0.000 2.390 241 F HA 0.594 5.121 4.527 0.001 0.000 0.361 241 F C -0.509 175.283 175.800 -0.013 0.000 1.124 241 F CA -1.142 56.972 58.000 0.190 0.000 1.149 241 F CB 0.167 39.314 39.000 0.245 0.000 1.160 241 F HN 0.415 nan 8.300 nan 0.000 0.501 242 L N 8.904 129.883 121.223 -0.407 0.000 2.305 242 L HA 0.407 4.748 4.340 0.001 0.000 0.281 242 L C -2.018 174.314 176.870 -0.895 0.000 1.085 242 L CA -2.064 52.377 54.840 -0.665 0.000 0.813 242 L CB 0.713 42.522 42.059 -0.416 0.000 1.157 242 L HN 0.451 nan 8.230 nan 0.000 0.436 243 P HA 0.067 nan 4.420 nan 0.000 0.272 243 P C -0.175 176.703 177.300 -0.704 0.000 1.230 243 P CA -0.284 62.033 63.100 -1.305 0.000 0.788 243 P CB 1.586 32.050 31.700 -2.060 0.000 0.949 244 A N 1.878 124.293 122.820 -0.675 0.000 2.063 244 A HA 0.020 4.340 4.320 0.001 0.000 0.211 244 A C 1.188 178.427 177.584 -0.577 0.000 1.177 244 A CA 0.397 52.156 52.037 -0.464 0.000 0.759 244 A CB -0.664 18.110 19.000 -0.378 0.000 0.857 244 A HN 0.586 nan 8.150 nan 0.000 0.468 245 N N 0.959 119.151 118.700 -0.846 0.000 2.431 245 N HA 0.158 4.899 4.740 0.001 0.000 0.265 245 N C -2.107 173.131 175.510 -0.453 0.000 1.184 245 N CA -1.893 50.642 53.050 -0.857 0.000 0.943 245 N CB 1.147 39.100 38.487 -0.890 0.000 1.080 245 N HN -0.064 nan 8.380 nan 0.000 0.477 246 P HA -0.137 nan 4.420 nan 0.000 0.217 246 P C 0.690 177.899 177.300 -0.152 0.000 1.148 246 P CA 1.409 64.404 63.100 -0.176 0.000 0.828 246 P CB 0.202 31.859 31.700 -0.071 0.000 0.783 247 A N -0.274 122.476 122.820 -0.118 0.000 1.898 247 A HA -0.205 4.115 4.320 0.001 0.000 0.216 247 A C 1.977 179.478 177.584 -0.138 0.000 1.181 247 A CA 1.948 53.933 52.037 -0.087 0.000 0.620 247 A CB -1.241 17.738 19.000 -0.035 0.000 0.819 247 A HN 0.094 nan 8.150 nan 0.000 0.442 248 D N 0.044 120.280 120.400 -0.273 0.000 2.149 248 D HA -0.073 4.567 4.640 0.001 0.000 0.201 248 D C 1.896 178.087 176.300 -0.181 0.000 0.972 248 D CA 0.956 54.745 54.000 -0.352 0.000 0.835 248 D CB -0.336 39.944 40.800 -0.867 0.000 0.966 248 D HN 0.517 nan 8.370 nan 0.000 0.476 249 I N 1.352 121.782 120.570 -0.233 0.000 2.163 249 I HA -0.260 3.911 4.170 0.001 0.000 0.243 249 I C 1.891 178.054 176.117 0.076 0.000 1.085 249 I CA 1.175 62.444 61.300 -0.052 0.000 1.347 249 I CB -0.171 37.669 38.000 -0.268 0.000 1.044 249 I HN -0.102 nan 8.210 nan 0.000 0.408 250 D N 1.072 121.459 120.400 -0.022 0.000 2.097 250 D HA -0.129 4.511 4.640 0.001 0.000 0.197 250 D C 2.280 178.584 176.300 0.007 0.000 0.984 250 D CA 1.585 55.580 54.000 -0.008 0.000 0.826 250 D CB -0.248 40.534 40.800 -0.029 0.000 0.973 250 D HN 0.338 nan 8.370 nan 0.000 0.460 251 A N 0.677 123.495 122.820 -0.003 0.000 1.917 251 A HA -0.083 4.238 4.320 0.001 0.000 0.219 251 A C 2.249 179.806 177.584 -0.044 0.000 1.182 251 A CA 2.158 54.185 52.037 -0.017 0.000 0.633 251 A CB -0.830 18.157 19.000 -0.023 0.000 0.819 251 A HN 0.327 nan 8.150 nan 0.000 0.448 252 G N -2.507 106.286 108.800 -0.010 0.000 3.088 252 G HA2 0.388 4.349 3.960 0.001 0.000 0.217 252 G HA3 0.388 4.349 3.960 0.001 0.000 0.217 252 G C 1.079 175.823 174.900 -0.259 0.000 1.159 252 G CA 0.505 45.457 45.100 -0.246 0.000 0.760 252 G HN 1.633 nan 8.290 nan 0.000 0.550 253 G N -0.601 108.166 108.800 -0.054 0.000 2.221 253 G HA2 -0.307 3.654 3.960 0.001 0.000 0.265 253 G HA3 -0.307 3.654 3.960 0.001 0.000 0.265 253 G C 0.836 175.768 174.900 0.054 0.000 1.041 253 G CA 0.389 45.484 45.100 -0.008 0.000 0.807 253 G HN 0.432 nan 8.290 nan 0.000 0.502 254 W N 0.435 121.822 121.300 0.145 0.000 2.421 254 W HA 0.129 4.790 4.660 0.001 0.000 0.270 254 W C 1.896 178.674 176.519 0.432 0.000 1.233 254 W CA 1.040 58.555 57.345 0.283 0.000 1.226 254 W CB 0.148 29.778 29.460 0.282 0.000 1.121 254 W HN 0.526 nan 8.180 nan 0.000 0.579 255 D N -1.000 119.658 120.400 0.429 0.000 2.427 255 D HA -0.027 4.613 4.640 0.001 0.000 0.224 255 D C -0.405 176.042 176.300 0.244 0.000 1.157 255 D CA -0.026 54.173 54.000 0.332 0.000 0.828 255 D CB -0.613 40.197 40.800 0.018 0.000 0.974 255 D HN -0.061 nan 8.370 nan 0.000 0.498 256 D N 1.252 121.803 120.400 0.251 0.000 2.316 256 D HA 0.152 4.792 4.640 0.001 0.000 0.245 256 D C -1.597 174.849 176.300 0.242 0.000 1.171 256 D CA -2.271 51.827 54.000 0.164 0.000 0.856 256 D CB 2.030 42.881 40.800 0.084 0.000 1.090 256 D HN -0.141 nan 8.370 nan 0.000 0.476 257 P HA -0.153 nan 4.420 nan 0.000 0.217 257 P C 0.980 178.408 177.300 0.213 0.000 1.148 257 P CA 1.465 64.693 63.100 0.213 0.000 0.828 257 P CB 0.201 31.968 31.700 0.111 0.000 0.783 258 A N -0.488 122.407 122.820 0.125 0.000 1.978 258 A HA -0.258 4.063 4.320 0.001 0.000 0.220 258 A C 2.038 179.643 177.584 0.035 0.000 1.170 258 A CA 1.989 54.067 52.037 0.069 0.000 0.636 258 A CB -1.728 17.289 19.000 0.029 0.000 0.810 258 A HN 0.256 nan 8.150 nan 0.000 0.448 259 N N -1.675 117.035 118.700 0.017 0.000 2.381 259 N HA -0.047 4.694 4.740 0.001 0.000 0.182 259 N C 0.422 175.770 175.510 -0.271 0.000 1.025 259 N CA 0.752 53.701 53.050 -0.169 0.000 0.888 259 N CB -0.178 38.154 38.487 -0.258 0.000 0.965 259 N HN 0.508 nan 8.380 nan 0.000 0.438 260 F N 0.564 120.523 119.950 0.015 0.000 2.693 260 F HA 0.197 4.725 4.527 0.001 0.000 0.303 260 F C 1.542 177.362 175.800 0.032 0.000 1.143 260 F CA 0.252 58.272 58.000 0.034 0.000 1.389 260 F CB 0.366 39.401 39.000 0.058 0.000 1.060 260 F HN -0.121 nan 8.300 nan 0.000 0.535 261 K N -1.377 119.075 120.400 0.087 0.000 2.354 261 K HA 0.121 4.441 4.320 0.001 0.000 0.194 261 K C 1.744 178.359 176.600 0.026 0.000 1.045 261 K CA 0.356 56.685 56.287 0.070 0.000 1.026 261 K CB 0.410 32.943 32.500 0.054 0.000 0.866 261 K HN 0.060 nan 8.250 nan 0.000 0.530 262 S N 0.777 116.456 115.700 -0.034 0.000 2.444 262 S HA 0.184 4.655 4.470 0.001 0.000 0.223 262 S C 0.672 175.228 174.600 -0.074 0.000 1.054 262 S CA 0.005 58.173 58.200 -0.054 0.000 0.947 262 S CB 0.251 63.385 63.200 -0.109 0.000 0.850 262 S HN 0.071 nan 8.310 nan 0.000 0.527 263 L N 2.727 123.841 121.223 -0.182 0.000 2.397 263 L HA 0.212 4.552 4.340 0.001 0.000 0.271 263 L C 0.901 177.753 176.870 -0.030 0.000 1.148 263 L CA -0.213 54.504 54.840 -0.204 0.000 0.825 263 L CB 0.478 42.256 42.059 -0.468 0.000 1.117 263 L HN 0.205 nan 8.230 nan 0.000 0.456 264 D N 2.135 122.548 120.400 0.023 0.000 2.183 264 D HA 0.031 4.672 4.640 0.001 0.000 0.205 264 D C -0.095 176.428 176.300 0.372 0.000 0.962 264 D CA 1.384 55.507 54.000 0.205 0.000 0.849 264 D CB 0.486 41.458 40.800 0.287 0.000 0.978 264 D HN 0.376 nan 8.370 nan 0.000 0.488 265 F N -1.713 118.310 119.950 0.121 0.000 2.858 265 F HA 0.584 5.112 4.527 0.001 0.000 0.319 265 F C -0.965 174.939 175.800 0.174 0.000 1.166 265 F CA -1.217 56.892 58.000 0.182 0.000 0.899 265 F CB 1.276 40.328 39.000 0.087 0.000 1.332 265 F HN -0.189 nan 8.300 nan 0.000 0.461 266 G N 0.244 109.264 108.800 0.367 0.000 2.706 266 G HA2 0.546 4.506 3.960 0.001 0.000 0.297 266 G HA3 0.546 4.506 3.960 0.001 0.000 0.297 266 G C -2.125 172.942 174.900 0.278 0.000 1.403 266 G CA -1.041 44.184 45.100 0.209 0.000 0.954 266 G HN 0.714 nan 8.290 nan 0.000 0.500 267 S N 0.624 116.487 115.700 0.271 0.000 2.437 267 S HA 0.476 4.946 4.470 0.001 0.000 0.305 267 S C 0.311 175.007 174.600 0.160 0.000 1.109 267 S CA -0.390 57.975 58.200 0.274 0.000 1.099 267 S CB 0.921 64.362 63.200 0.403 0.000 1.004 267 S HN 0.468 nan 8.310 nan 0.000 0.475 268 I N 2.937 123.519 120.570 0.020 0.000 2.496 268 I HA 0.137 4.308 4.170 0.001 0.000 0.285 268 I C 0.924 176.962 176.117 -0.132 0.000 1.080 268 I CA -0.314 60.907 61.300 -0.132 0.000 1.404 268 I CB 0.585 38.514 38.000 -0.118 0.000 1.403 268 I HN 0.583 nan 8.210 nan 0.000 0.539 269 Q N 5.124 124.705 119.800 -0.364 0.000 2.255 269 Q HA 0.075 4.415 4.340 0.001 0.000 0.280 269 Q C 0.612 176.388 176.000 -0.373 0.000 1.068 269 Q CA 0.158 55.699 55.803 -0.437 0.000 0.911 269 Q CB 0.689 29.102 28.738 -0.543 0.000 1.157 269 Q HN 0.951 nan 8.270 nan 0.000 0.380 270 G N 4.129 112.645 108.800 -0.474 0.000 3.839 270 G HA2 0.208 4.169 3.960 0.001 0.000 0.286 270 G HA3 0.208 4.169 3.960 0.001 0.000 0.286 270 G C -1.000 173.886 174.900 -0.023 0.000 1.005 270 G CA -0.010 44.982 45.100 -0.180 0.000 0.824 270 G HN 0.687 nan 8.290 nan 0.000 0.489 271 Y N -3.640 116.767 120.300 0.178 0.000 2.715 271 Y HA 0.615 5.166 4.550 0.001 0.000 0.331 271 Y C 0.017 176.087 175.900 0.283 0.000 1.197 271 Y CA -1.976 56.255 58.100 0.218 0.000 1.079 271 Y CB 0.543 39.143 38.460 0.233 0.000 1.298 271 Y HN -0.018 nan 8.280 nan 0.000 0.477 272 D N 0.028 120.801 120.400 0.622 0.000 2.837 272 D HA -0.171 4.470 4.640 0.001 0.000 0.230 272 D C 0.576 177.225 176.300 0.581 0.000 1.152 272 D CA 1.061 55.431 54.000 0.618 0.000 0.736 272 D CB -1.041 40.064 40.800 0.509 0.000 1.084 272 D HN 0.733 nan 8.370 nan 0.000 0.429 273 L N -1.263 120.275 121.223 0.526 0.000 2.492 273 L HA 0.021 4.361 4.340 0.001 0.000 0.223 273 L C 0.979 178.309 176.870 0.766 0.000 1.132 273 L CA 0.624 55.818 54.840 0.591 0.000 0.850 273 L CB -0.034 42.323 42.059 0.496 0.000 0.966 273 L HN 0.200 nan 8.230 nan 0.000 0.454 274 H N -1.116 118.302 119.070 0.580 0.000 3.024 274 H HA 0.620 5.176 4.556 0.001 0.000 0.324 274 H C -0.787 174.478 175.328 -0.104 0.000 1.347 274 H CA -0.272 56.027 56.048 0.420 0.000 1.182 274 H CB 1.625 31.604 29.762 0.361 0.000 1.889 274 H HN -0.045 nan 8.280 nan 0.000 0.528 275 G N -0.233 107.649 108.800 -1.530 0.000 2.495 275 G HA2 0.491 4.451 3.960 0.001 0.000 0.294 275 G HA3 0.491 4.451 3.960 0.001 0.000 0.294 275 G C -0.137 173.728 174.900 -1.727 0.000 1.397 275 G CA -0.193 43.767 45.100 -1.900 0.000 0.790 275 G HN 0.870 nan 8.290 nan 0.000 0.486 276 A N -0.886 121.049 122.820 -1.475 0.000 2.259 276 A HA 0.067 4.387 4.320 0.001 0.000 0.212 276 A C 1.731 179.063 177.584 -0.420 0.000 1.178 276 A CA 1.820 53.238 52.037 -1.031 0.000 0.734 276 A CB -1.065 17.342 19.000 -0.989 0.000 0.774 276 A HN 1.172 nan 8.150 nan 0.000 0.481 277 W N -0.891 120.324 121.300 -0.141 0.000 2.538 277 W HA 0.039 4.700 4.660 0.001 0.000 0.254 277 W C 0.470 177.006 176.519 0.027 0.000 1.249 277 W CA 0.425 57.745 57.345 -0.042 0.000 1.253 277 W CB -0.432 29.018 29.460 -0.016 0.000 1.130 277 W HN 0.350 nan 8.180 nan 0.000 0.618 278 N N 2.035 120.747 118.700 0.021 0.000 2.851 278 N HA 0.158 4.899 4.740 0.001 0.000 0.248 278 N C -1.638 173.991 175.510 0.198 0.000 1.221 278 N CA -2.327 50.816 53.050 0.155 0.000 0.847 278 N CB 1.066 39.684 38.487 0.217 0.000 1.150 278 N HN -0.145 nan 8.380 nan 0.000 0.507 279 P HA -0.050 nan 4.420 nan 0.000 0.230 279 P C 0.650 178.087 177.300 0.229 0.000 1.158 279 P CA 1.053 64.263 63.100 0.183 0.000 0.769 279 P CB 0.152 31.897 31.700 0.075 0.000 0.807 280 T N -3.968 110.658 114.554 0.120 0.000 3.054 280 T HA 0.324 4.675 4.350 0.001 0.000 0.255 280 T C 0.254 174.882 174.700 -0.121 0.000 1.035 280 T CA -0.357 61.749 62.100 0.010 0.000 0.941 280 T CB -0.273 68.596 68.868 0.003 0.000 1.026 280 T HN -0.061 nan 8.240 nan 0.000 0.533 281 L N 2.943 124.063 121.223 -0.172 0.000 2.446 281 L HA 0.556 4.896 4.340 0.001 0.000 0.268 281 L C 0.041 176.407 176.870 -0.839 0.000 0.975 281 L CA -0.295 54.337 54.840 -0.347 0.000 0.848 281 L CB 1.814 43.826 42.059 -0.079 0.000 1.225 281 L HN 0.335 nan 8.230 nan 0.000 0.410 282 T N 1.353 115.063 114.554 -1.407 0.000 2.828 282 T HA 0.884 5.234 4.350 0.001 0.000 0.290 282 T C 0.275 173.844 174.700 -1.885 0.000 1.019 282 T CA 0.122 60.794 62.100 -2.379 0.000 1.031 282 T CB 1.464 68.866 68.868 -2.442 0.000 1.001 282 T HN 1.114 nan 8.240 nan 0.000 0.531 283 G N 0.053 107.720 108.800 -1.888 0.000 2.356 283 G HA2 0.390 4.351 3.960 0.001 0.000 0.294 283 G HA3 0.390 4.351 3.960 0.001 0.000 0.294 283 G C -1.606 172.829 174.900 -0.774 0.000 1.423 283 G CA -1.030 42.829 45.100 -2.067 0.000 0.806 283 G HN 0.919 nan 8.290 nan 0.000 0.527 284 H N 0.524 119.242 119.070 -0.587 0.000 2.722 284 H HA 0.208 4.764 4.556 0.001 0.000 0.328 284 H C 1.118 176.624 175.328 0.297 0.000 1.067 284 H CA 0.627 56.718 56.048 0.073 0.000 1.447 284 H CB 1.804 31.655 29.762 0.147 0.000 1.469 284 H HN 0.744 nan 8.280 nan 0.000 0.544 285 Q N 1.849 121.927 119.800 0.465 0.000 2.384 285 Q HA 0.337 4.678 4.340 0.001 0.000 0.207 285 Q C 0.377 176.602 176.000 0.376 0.000 0.904 285 Q CA 0.445 56.509 55.803 0.434 0.000 0.933 285 Q CB 0.930 29.887 28.738 0.365 0.000 1.077 285 Q HN 0.477 nan 8.270 nan 0.000 0.522 286 A N 1.996 125.006 122.820 0.316 0.000 2.843 286 A HA 0.209 4.529 4.320 0.001 0.000 0.248 286 A C -0.859 176.800 177.584 0.126 0.000 0.904 286 A CA -0.880 51.287 52.037 0.217 0.000 1.091 286 A CB -0.261 18.851 19.000 0.187 0.000 1.208 286 A HN 0.417 nan 8.150 nan 0.000 0.476 287 N N 0.615 119.404 118.700 0.149 0.000 2.497 287 N HA 0.099 4.839 4.740 0.001 0.000 0.268 287 N C 0.673 176.149 175.510 -0.056 0.000 1.171 287 N CA -0.407 52.664 53.050 0.035 0.000 0.948 287 N CB 1.563 40.112 38.487 0.104 0.000 1.069 287 N HN 0.219 nan 8.380 nan 0.000 0.460 288 L N 2.321 123.421 121.223 -0.205 0.000 2.056 288 L HA 0.089 4.429 4.340 0.001 0.000 0.207 288 L C -0.252 176.292 176.870 -0.543 0.000 1.078 288 L CA 1.473 56.009 54.840 -0.508 0.000 0.749 288 L CB -0.488 41.094 42.059 -0.795 0.000 0.901 288 L HN 0.558 nan 8.230 nan 0.000 0.433 289 Y N -0.394 119.879 120.300 -0.044 0.000 2.528 289 Y HA 0.398 4.948 4.550 0.001 0.000 0.335 289 Y C 0.198 176.121 175.900 0.038 0.000 1.093 289 Y CA -2.008 56.090 58.100 -0.004 0.000 1.134 289 Y CB 0.239 38.703 38.460 0.007 0.000 1.253 289 Y HN -0.102 nan 8.280 nan 0.000 0.478 290 D N 1.060 121.597 120.400 0.227 0.000 2.472 290 D HA -0.015 4.625 4.640 0.001 0.000 0.237 290 D C -0.686 175.689 176.300 0.126 0.000 1.141 290 D CA 0.548 54.627 54.000 0.131 0.000 0.875 290 D CB 0.596 41.441 40.800 0.075 0.000 1.192 290 D HN 0.415 nan 8.370 nan 0.000 0.450 291 D N 1.550 122.012 120.400 0.103 0.000 2.392 291 D HA 0.225 4.865 4.640 0.001 0.000 0.228 291 D C -1.880 174.404 176.300 -0.025 0.000 1.074 291 D CA -2.195 51.876 54.000 0.117 0.000 0.838 291 D CB 1.621 42.610 40.800 0.314 0.000 1.067 291 D HN -0.072 nan 8.370 nan 0.000 0.511 292 P HA -0.014 nan 4.420 nan 0.000 0.225 292 P C 0.689 177.914 177.300 -0.124 0.000 1.148 292 P CA 0.638 63.696 63.100 -0.070 0.000 0.779 292 P CB 0.373 32.053 31.700 -0.033 0.000 0.780 293 A N -1.021 121.735 122.820 -0.106 0.000 2.178 293 A HA -0.030 4.291 4.320 0.001 0.000 0.211 293 A C 1.089 178.369 177.584 -0.508 0.000 1.157 293 A CA 0.132 52.075 52.037 -0.157 0.000 0.780 293 A CB -0.810 18.215 19.000 0.042 0.000 0.828 293 A HN 0.055 nan 8.150 nan 0.000 0.476 294 D N 1.042 120.952 120.400 -0.816 0.000 2.412 294 D HA 0.080 4.721 4.640 0.001 0.000 0.257 294 D C -1.518 174.277 176.300 -0.841 0.000 1.217 294 D CA -1.263 51.837 54.000 -1.499 0.000 0.897 294 D CB 1.169 41.217 40.800 -1.253 0.000 1.132 294 D HN 0.198 nan 8.370 nan 0.000 0.493 295 P HA 0.082 nan 4.420 nan 0.000 0.255 295 P C 0.179 177.272 177.300 -0.345 0.000 1.248 295 P CA -0.021 62.831 63.100 -0.414 0.000 0.807 295 P CB 0.660 32.180 31.700 -0.300 0.000 1.150 296 R N 0.365 120.609 120.500 -0.426 0.000 2.649 296 R HA 0.528 4.868 4.340 0.001 0.000 0.270 296 R C 0.606 176.758 176.300 -0.246 0.000 1.105 296 R CA -0.587 55.337 56.100 -0.295 0.000 1.193 296 R CB 0.161 30.282 30.300 -0.298 0.000 1.120 296 R HN -0.025 nan 8.270 nan 0.000 0.561 297 A N 1.986 124.701 122.820 -0.175 0.000 2.531 297 A HA 0.105 4.426 4.320 0.001 0.000 0.236 297 A C -1.590 175.888 177.584 -0.177 0.000 1.062 297 A CA -1.041 50.909 52.037 -0.144 0.000 0.760 297 A CB -0.153 18.791 19.000 -0.094 0.000 0.995 297 A HN 0.523 nan 8.150 nan 0.000 0.501 298 P HA -0.217 nan 4.420 nan 0.000 0.217 298 P C 1.634 178.836 177.300 -0.162 0.000 1.151 298 P CA 2.140 65.148 63.100 -0.153 0.000 0.849 298 P CB 0.030 31.668 31.700 -0.103 0.000 0.787 299 S N -1.304 114.325 115.700 -0.119 0.000 2.507 299 S HA -0.062 4.408 4.470 0.001 0.000 0.235 299 S C 1.456 175.954 174.600 -0.170 0.000 0.988 299 S CA 0.883 59.036 58.200 -0.078 0.000 0.944 299 S CB -0.737 62.452 63.200 -0.018 0.000 0.762 299 S HN 0.237 nan 8.310 nan 0.000 0.526 300 K N 0.458 120.665 120.400 -0.322 0.000 2.355 300 K HA 0.227 4.548 4.320 0.001 0.000 0.198 300 K C -0.231 175.779 176.600 -0.984 0.000 1.039 300 K CA -0.009 55.966 56.287 -0.520 0.000 1.075 300 K CB 0.433 32.814 32.500 -0.198 0.000 0.870 300 K HN 0.280 nan 8.250 nan 0.000 0.540 301 K N 1.470 121.397 120.400 -0.788 0.000 2.262 301 K HA 0.257 4.577 4.320 0.001 0.000 0.282 301 K C -0.828 175.422 176.600 -0.583 0.000 1.066 301 K CA -0.123 55.792 56.287 -0.621 0.000 0.901 301 K CB 0.548 32.825 32.500 -0.371 0.000 1.089 301 K HN -0.193 nan 8.250 nan 0.000 0.476 302 F N 0.014 119.993 119.950 0.047 0.000 2.639 302 F HA 0.512 5.040 4.527 0.001 0.000 0.339 302 F C 0.452 176.295 175.800 0.072 0.000 1.071 302 F CA -1.002 57.026 58.000 0.046 0.000 0.994 302 F CB 1.787 40.819 39.000 0.054 0.000 1.341 302 F HN 0.493 nan 8.300 nan 0.000 0.498 303 S N -0.903 114.956 115.700 0.266 0.000 2.565 303 S HA 0.642 5.113 4.470 0.001 0.000 0.274 303 S C -0.116 174.518 174.600 0.056 0.000 1.144 303 S CA -0.316 57.969 58.200 0.142 0.000 0.849 303 S CB 1.092 64.362 63.200 0.116 0.000 1.103 303 S HN 1.006 nan 8.310 nan 0.000 0.455 304 A N 1.215 124.012 122.820 -0.039 0.000 1.902 304 A HA -0.043 4.277 4.320 0.001 0.000 0.217 304 A C 1.693 179.232 177.584 -0.074 0.000 1.181 304 A CA 2.302 54.281 52.037 -0.096 0.000 0.623 304 A CB -1.399 17.479 19.000 -0.203 0.000 0.818 304 A HN 0.992 nan 8.150 nan 0.000 0.443 305 D N -0.443 119.883 120.400 -0.124 0.000 2.123 305 D HA -0.210 4.430 4.640 0.001 0.000 0.196 305 D C 1.942 178.319 176.300 0.130 0.000 0.992 305 D CA 1.779 55.804 54.000 0.042 0.000 0.833 305 D CB -0.150 40.724 40.800 0.125 0.000 0.954 305 D HN 0.503 nan 8.370 nan 0.000 0.455 306 K N -0.347 120.111 120.400 0.096 0.000 2.063 306 K HA -0.148 4.173 4.320 0.001 0.000 0.208 306 K C 1.992 178.618 176.600 0.044 0.000 1.048 306 K CA 1.322 57.658 56.287 0.082 0.000 0.928 306 K CB -0.213 32.342 32.500 0.091 0.000 0.713 306 K HN 0.160 nan 8.250 nan 0.000 0.442 307 A N 0.589 123.431 122.820 0.036 0.000 1.873 307 A HA -0.083 4.237 4.320 0.001 0.000 0.215 307 A C 2.246 179.917 177.584 0.146 0.000 1.186 307 A CA 1.488 53.535 52.037 0.016 0.000 0.616 307 A CB -0.679 18.329 19.000 0.014 0.000 0.823 307 A HN 0.160 nan 8.150 nan 0.000 0.442 308 V N 0.478 120.511 119.914 0.197 0.000 2.287 308 V HA -0.320 3.800 4.120 0.001 0.000 0.248 308 V C 2.453 178.669 176.094 0.204 0.000 1.053 308 V CA 2.479 64.936 62.300 0.262 0.000 1.027 308 V CB -0.734 31.267 31.823 0.297 0.000 0.646 308 V HN 0.556 nan 8.190 nan 0.000 0.447 309 K N -0.158 120.331 120.400 0.147 0.000 2.147 309 K HA -0.224 4.097 4.320 0.001 0.000 0.205 309 K C 2.240 178.858 176.600 0.030 0.000 1.049 309 K CA 1.443 57.785 56.287 0.092 0.000 0.936 309 K CB -0.182 32.372 32.500 0.091 0.000 0.722 309 K HN 0.387 nan 8.250 nan 0.000 0.446 310 K N 0.211 120.590 120.400 -0.035 0.000 2.057 310 K HA -0.148 4.173 4.320 0.001 0.000 0.206 310 K C 1.783 178.279 176.600 -0.172 0.000 1.050 310 K CA 1.306 57.504 56.287 -0.149 0.000 0.935 310 K CB -0.042 32.288 32.500 -0.283 0.000 0.715 310 K HN 0.062 nan 8.250 nan 0.000 0.439 311 Y N 0.942 121.235 120.300 -0.011 0.000 2.200 311 Y HA -0.128 4.423 4.550 0.001 0.000 0.290 311 Y C 1.960 177.822 175.900 -0.062 0.000 1.137 311 Y CA 1.077 59.156 58.100 -0.035 0.000 1.163 311 Y CB -0.179 38.252 38.460 -0.050 0.000 0.988 311 Y HN -0.012 nan 8.280 nan 0.000 0.518 312 L N -0.986 120.301 121.223 0.108 0.000 2.093 312 L HA -0.188 4.152 4.340 0.001 0.000 0.208 312 L C 2.605 179.485 176.870 0.016 0.000 1.085 312 L CA 0.996 55.860 54.840 0.040 0.000 0.755 312 L CB -0.824 41.258 42.059 0.039 0.000 0.904 312 L HN 0.206 nan 8.230 nan 0.000 0.435 313 A N 0.138 122.965 122.820 0.012 0.000 2.019 313 A HA -0.100 4.221 4.320 0.001 0.000 0.219 313 A C 2.398 179.981 177.584 -0.001 0.000 1.164 313 A CA 1.514 53.551 52.037 0.000 0.000 0.644 313 A CB -0.492 18.502 19.000 -0.010 0.000 0.805 313 A HN 0.393 nan 8.150 nan 0.000 0.449 314 A N -1.845 120.975 122.820 0.001 0.000 2.206 314 A HA 0.388 4.708 4.320 0.001 0.000 0.211 314 A C 1.813 179.404 177.584 0.012 0.000 1.158 314 A CA 1.284 53.328 52.037 0.011 0.000 0.761 314 A CB -0.832 18.186 19.000 0.030 0.000 0.801 314 A HN 1.863 nan 8.150 nan 0.000 0.473 315 G N -1.078 107.722 108.800 -0.001 0.000 2.141 315 G HA2 -0.200 3.761 3.960 0.001 0.000 0.231 315 G HA3 -0.200 3.761 3.960 0.001 0.000 0.231 315 G C 0.091 174.972 174.900 -0.031 0.000 0.984 315 G CA 0.077 45.173 45.100 -0.007 0.000 0.660 315 G HN 0.443 nan 8.290 nan 0.000 0.525 316 I N 1.461 121.987 120.570 -0.074 0.000 2.556 316 I HA 0.127 4.298 4.170 0.001 0.000 0.284 316 I C 0.662 176.680 176.117 -0.166 0.000 1.114 316 I CA -0.464 60.714 61.300 -0.203 0.000 1.418 316 I CB 0.633 38.362 38.000 -0.452 0.000 1.394 316 I HN 0.063 nan 8.210 nan 0.000 0.552 317 D N 9.869 130.188 120.400 -0.135 0.000 2.472 317 D HA -0.010 4.631 4.640 0.001 0.000 0.248 317 D C -1.263 174.983 176.300 -0.089 0.000 1.174 317 D CA -1.558 52.399 54.000 -0.072 0.000 0.883 317 D CB 1.213 42.001 40.800 -0.021 0.000 1.149 317 D HN 0.298 nan 8.370 nan 0.000 0.488 318 P HA -0.195 nan 4.420 nan 0.000 0.219 318 P C 1.026 178.312 177.300 -0.024 0.000 1.146 318 P CA 1.225 64.299 63.100 -0.043 0.000 0.808 318 P CB 0.011 31.696 31.700 -0.025 0.000 0.779 319 K N 0.178 120.566 120.400 -0.021 0.000 2.442 319 K HA -0.089 4.231 4.320 0.001 0.000 0.198 319 K C 1.663 178.275 176.600 0.021 0.000 1.042 319 K CA 0.909 57.184 56.287 -0.020 0.000 0.958 319 K CB -0.429 32.050 32.500 -0.035 0.000 0.766 319 K HN 0.164 nan 8.250 nan 0.000 0.474 320 Q N 0.805 120.637 119.800 0.053 0.000 2.246 320 Q HA 0.271 4.611 4.340 0.001 0.000 0.202 320 Q C -0.342 175.785 176.000 0.212 0.000 0.883 320 Q CA -0.086 55.829 55.803 0.186 0.000 0.952 320 Q CB 0.301 29.183 28.738 0.241 0.000 1.078 320 Q HN 0.302 nan 8.270 nan 0.000 0.493 321 L N -0.934 120.341 121.223 0.085 0.000 2.323 321 L HA 0.797 5.137 4.340 0.001 0.000 0.265 321 L C 0.082 177.007 176.870 0.092 0.000 1.012 321 L CA -1.069 53.812 54.840 0.067 0.000 0.820 321 L CB 2.069 44.100 42.059 -0.047 0.000 1.334 321 L HN -0.070 nan 8.230 nan 0.000 0.427 322 G N 0.839 109.703 108.800 0.107 0.000 2.690 322 G HA2 0.618 4.579 3.960 0.001 0.000 0.291 322 G HA3 0.618 4.579 3.960 0.001 0.000 0.291 322 G C -2.371 172.592 174.900 0.105 0.000 1.403 322 G CA -0.486 44.686 45.100 0.120 0.000 0.864 322 G HN 0.315 nan 8.290 nan 0.000 0.480 323 L N 1.181 122.466 121.223 0.103 0.000 2.333 323 L HA 0.816 5.156 4.340 0.001 0.000 0.280 323 L C 0.525 177.408 176.870 0.022 0.000 1.004 323 L CA -0.460 54.416 54.840 0.060 0.000 0.820 323 L CB 1.534 43.632 42.059 0.066 0.000 1.247 323 L HN 0.742 nan 8.230 nan 0.000 0.416 324 G N 4.773 113.606 108.800 0.055 0.000 2.395 324 G HA2 0.564 4.525 3.960 0.001 0.000 0.283 324 G HA3 0.564 4.525 3.960 0.001 0.000 0.283 324 G C -1.124 173.833 174.900 0.096 0.000 1.178 324 G CA -0.341 44.844 45.100 0.142 0.000 0.837 324 G HN 0.506 nan 8.290 nan 0.000 0.518 325 L N 0.647 121.836 121.223 -0.057 0.000 2.301 325 L HA 0.777 5.118 4.340 0.001 0.000 0.264 325 L C 0.466 177.419 176.870 0.137 0.000 1.016 325 L CA -0.831 53.928 54.840 -0.135 0.000 0.821 325 L CB 2.111 43.692 42.059 -0.796 0.000 1.346 325 L HN 0.667 nan 8.230 nan 0.000 0.429 326 A N 0.413 123.318 122.820 0.142 0.000 2.305 326 A HA 0.757 5.078 4.320 0.001 0.000 0.322 326 A C 0.145 177.846 177.584 0.195 0.000 1.187 326 A CA 0.077 52.143 52.037 0.048 0.000 0.825 326 A CB 1.045 19.788 19.000 -0.428 0.000 1.164 326 A HN 0.808 nan 8.150 nan 0.000 0.498 327 A N 1.834 124.853 122.820 0.332 0.000 2.610 327 A HA 0.574 4.894 4.320 0.001 0.000 0.286 327 A C -0.093 177.694 177.584 0.338 0.000 1.306 327 A CA -0.008 52.180 52.037 0.252 0.000 0.942 327 A CB -0.604 18.477 19.000 0.134 0.000 1.112 327 A HN 1.442 nan 8.150 nan 0.000 0.527 328 Y N -4.627 115.814 120.300 0.234 0.000 2.670 328 Y HA 0.763 5.314 4.550 0.001 0.000 0.334 328 Y C -0.069 176.026 175.900 0.325 0.000 1.185 328 Y CA -1.371 56.871 58.100 0.238 0.000 1.053 328 Y CB 0.407 38.981 38.460 0.190 0.000 1.298 328 Y HN 0.148 nan 8.280 nan 0.000 0.459 329 G N 0.755 109.753 108.800 0.330 0.000 2.569 329 G HA2 0.712 4.673 3.960 0.001 0.000 0.300 329 G HA3 0.712 4.673 3.960 0.001 0.000 0.300 329 G C -1.701 173.557 174.900 0.597 0.000 1.269 329 G CA -1.575 43.755 45.100 0.384 0.000 0.959 329 G HN 0.651 nan 8.290 nan 0.000 0.478 330 R N -0.488 120.288 120.500 0.460 0.000 2.494 330 R HA 0.643 4.983 4.340 0.001 0.000 0.305 330 R C -0.199 175.989 176.300 -0.186 0.000 0.959 330 R CA -0.549 55.629 56.100 0.130 0.000 0.864 330 R CB 2.225 32.456 30.300 -0.116 0.000 1.159 330 R HN 0.672 nan 8.270 nan 0.000 0.446 331 G N 1.544 109.781 108.800 -0.938 0.000 2.605 331 G HA2 0.578 4.538 3.960 0.001 0.000 0.296 331 G HA3 0.578 4.538 3.960 0.001 0.000 0.296 331 G C -1.445 172.739 174.900 -1.193 0.000 1.304 331 G CA -0.515 43.685 45.100 -1.499 0.000 0.941 331 G HN 0.382 nan 8.290 nan 0.000 0.475 332 W N -0.376 120.559 121.300 -0.608 0.000 2.781 332 W HA 0.623 5.283 4.660 0.001 0.000 0.345 332 W C -0.299 176.075 176.519 -0.241 0.000 1.085 332 W CA -0.546 56.597 57.345 -0.337 0.000 1.198 332 W CB 2.602 31.923 29.460 -0.231 0.000 1.423 332 W HN 0.606 nan 8.180 nan 0.000 0.532 333 T N -0.898 113.703 114.554 0.077 0.000 2.942 333 T HA 0.518 4.868 4.350 0.001 0.000 0.289 333 T C 0.617 175.372 174.700 0.091 0.000 1.044 333 T CA 0.610 62.753 62.100 0.071 0.000 1.023 333 T CB 1.183 70.072 68.868 0.035 0.000 1.123 333 T HN 0.901 nan 8.240 nan 0.000 0.512 334 G N 1.369 110.220 108.800 0.086 0.000 2.160 334 G HA2 -0.039 3.921 3.960 0.001 0.000 0.251 334 G HA3 -0.039 3.921 3.960 0.001 0.000 0.251 334 G C 0.272 175.212 174.900 0.067 0.000 1.008 334 G CA 0.175 45.315 45.100 0.067 0.000 0.724 334 G HN 1.251 nan 8.290 nan 0.000 0.514 335 A N -0.189 122.705 122.820 0.124 0.000 2.395 335 A HA 0.629 4.949 4.320 0.001 0.000 0.286 335 A C 1.362 179.035 177.584 0.150 0.000 1.193 335 A CA 0.817 52.907 52.037 0.087 0.000 0.852 335 A CB 0.250 19.370 19.000 0.200 0.000 1.118 335 A HN 0.470 nan 8.150 nan 0.000 0.524 336 K N 1.945 122.353 120.400 0.014 0.000 2.097 336 K HA -0.102 4.218 4.320 0.001 0.000 0.205 336 K C 0.262 176.890 176.600 0.046 0.000 1.050 336 K CA 1.305 57.616 56.287 0.039 0.000 0.938 336 K CB -0.070 32.413 32.500 -0.027 0.000 0.718 336 K HN 0.847 nan 8.250 nan 0.000 0.442 337 N N -0.527 118.095 118.700 -0.131 0.000 2.404 337 N HA 0.095 4.835 4.740 0.001 0.000 0.297 337 N C 0.158 175.311 175.510 -0.596 0.000 1.163 337 N CA -0.465 52.443 53.050 -0.238 0.000 0.864 337 N CB 2.455 40.788 38.487 -0.257 0.000 1.247 337 N HN -0.231 nan 8.380 nan 0.000 0.510 338 V N 0.474 120.079 119.914 -0.515 0.000 2.878 338 V HA 0.048 4.169 4.120 0.001 0.000 0.250 338 V C 0.384 176.402 176.094 -0.128 0.000 1.075 338 V CA 1.114 63.046 62.300 -0.614 0.000 1.096 338 V CB 0.053 31.757 31.823 -0.197 0.000 0.724 338 V HN 0.603 nan 8.190 nan 0.000 0.467 339 S N 2.866 118.451 115.700 -0.190 0.000 2.564 339 S HA 0.309 4.779 4.470 0.001 0.000 0.278 339 S C -2.280 171.982 174.600 -0.564 0.000 1.333 339 S CA -0.629 57.450 58.200 -0.203 0.000 1.048 339 S CB 1.006 64.128 63.200 -0.130 0.000 0.900 339 S HN 0.527 nan 8.310 nan 0.000 0.505 340 P HA 0.029 nan 4.420 nan 0.000 0.271 340 P C -0.713 175.951 177.300 -1.060 0.000 1.233 340 P CA -0.163 62.101 63.100 -1.394 0.000 0.789 340 P CB 0.074 30.785 31.700 -1.649 0.000 0.951 341 W N -2.034 118.673 121.300 -0.989 0.000 4.949 341 W HA -0.102 4.558 4.660 0.001 0.000 0.380 341 W C 0.623 176.776 176.519 -0.611 0.000 1.446 341 W CA 0.125 57.036 57.345 -0.723 0.000 0.869 341 W CB -2.229 26.916 29.460 -0.524 0.000 2.591 341 W HN 0.580 nan 8.180 nan 0.000 1.398 342 G N 0.191 108.605 108.800 -0.643 0.000 2.537 342 G HA2 0.830 4.790 3.960 0.001 0.000 0.323 342 G HA3 0.830 4.790 3.960 0.001 0.000 0.323 342 G C -2.231 172.389 174.900 -0.466 0.000 1.207 342 G CA -1.492 43.318 45.100 -0.484 0.000 0.976 342 G HN -0.152 nan 8.290 nan 0.000 0.487 343 P HA 0.459 nan 4.420 nan 0.000 0.275 343 P C -0.563 176.593 177.300 -0.240 0.000 1.228 343 P CA 0.062 63.019 63.100 -0.239 0.000 0.786 343 P CB 1.784 33.397 31.700 -0.146 0.000 0.927 344 A N 1.475 124.187 122.820 -0.179 0.000 2.593 344 A HA 0.637 4.957 4.320 0.001 0.000 0.290 344 A C 0.755 178.333 177.584 -0.009 0.000 1.126 344 A CA -0.039 51.943 52.037 -0.091 0.000 0.695 344 A CB 0.668 19.602 19.000 -0.109 0.000 1.290 344 A HN 0.509 nan 8.150 nan 0.000 0.414 345 T N -2.856 111.719 114.554 0.035 0.000 3.000 345 T HA 0.402 4.752 4.350 0.001 0.000 0.248 345 T C 0.221 174.952 174.700 0.052 0.000 1.034 345 T CA 1.165 63.286 62.100 0.036 0.000 1.060 345 T CB 0.114 68.998 68.868 0.026 0.000 0.983 345 T HN 0.700 nan 8.240 nan 0.000 0.482 346 D N -0.921 119.522 120.400 0.071 0.000 2.769 346 D HA 0.416 5.057 4.640 0.001 0.000 0.309 346 D C -0.702 175.583 176.300 -0.026 0.000 1.315 346 D CA -0.194 53.826 54.000 0.034 0.000 0.780 346 D CB 1.089 41.895 40.800 0.009 0.000 1.312 346 D HN 0.278 nan 8.370 nan 0.000 0.437 347 G N -0.256 108.466 108.800 -0.130 0.000 2.483 347 G HA2 0.540 4.501 3.960 0.001 0.000 0.248 347 G HA3 0.540 4.501 3.960 0.001 0.000 0.248 347 G C -0.084 174.691 174.900 -0.209 0.000 1.248 347 G CA 0.342 45.263 45.100 -0.299 0.000 0.838 347 G HN 0.457 nan 8.290 nan 0.000 0.566 348 A N 3.013 125.639 122.820 -0.323 0.000 2.304 348 A HA 0.725 5.045 4.320 0.001 0.000 0.271 348 A C -2.130 175.462 177.584 0.013 0.000 1.091 348 A CA -1.246 50.690 52.037 -0.169 0.000 0.812 348 A CB 0.579 19.367 19.000 -0.354 0.000 1.056 348 A HN 0.523 nan 8.150 nan 0.000 0.489 349 P HA 0.358 nan 4.420 nan 0.000 0.269 349 P C 0.124 177.574 177.300 0.250 0.000 1.209 349 P CA 0.375 63.556 63.100 0.135 0.000 0.776 349 P CB 0.953 32.713 31.700 0.100 0.000 0.876 350 G N 0.319 109.219 108.800 0.166 0.000 2.533 350 G HA2 0.372 4.333 3.960 0.001 0.000 0.304 350 G HA3 0.372 4.333 3.960 0.001 0.000 0.304 350 G C 0.650 175.549 174.900 -0.002 0.000 1.263 350 G CA -0.343 44.848 45.100 0.151 0.000 0.964 350 G HN 0.301 nan 8.290 nan 0.000 0.479 351 T N 0.015 114.499 114.554 -0.116 0.000 2.777 351 T HA -0.074 4.277 4.350 0.001 0.000 0.266 351 T C 1.383 175.813 174.700 -0.450 0.000 1.040 351 T CA 1.791 63.680 62.100 -0.351 0.000 1.141 351 T CB -0.213 68.318 68.868 -0.561 0.000 0.868 351 T HN 0.494 nan 8.240 nan 0.000 0.444 352 Y N 0.087 120.408 120.300 0.036 0.000 2.589 352 Y HA 0.472 5.022 4.550 0.001 0.000 0.271 352 Y C 0.929 176.858 175.900 0.047 0.000 1.107 352 Y CA -0.606 57.522 58.100 0.047 0.000 1.273 352 Y CB 0.809 39.304 38.460 0.058 0.000 1.266 352 Y HN 0.102 nan 8.280 nan 0.000 0.504 353 E N -0.102 120.214 120.200 0.193 0.000 2.292 353 E HA 0.314 4.665 4.350 0.001 0.000 0.272 353 E C -1.046 175.623 176.600 0.115 0.000 0.881 353 E CA -0.582 55.895 56.400 0.129 0.000 0.754 353 E CB 1.557 31.328 29.700 0.117 0.000 1.201 353 E HN -0.084 nan 8.360 nan 0.000 0.425 354 T N 2.319 116.919 114.554 0.076 0.000 2.934 354 T HA 0.242 4.593 4.350 0.001 0.000 0.306 354 T C 0.723 175.450 174.700 0.045 0.000 1.042 354 T CA 0.950 63.086 62.100 0.059 0.000 1.145 354 T CB 0.744 69.625 68.868 0.022 0.000 0.982 354 T HN 0.838 nan 8.240 nan 0.000 0.544 355 A N 2.573 125.412 122.820 0.031 0.000 2.816 355 A HA -0.179 4.141 4.320 0.001 0.000 0.270 355 A C 0.541 178.183 177.584 0.096 0.000 1.413 355 A CA 0.923 52.886 52.037 -0.123 0.000 0.866 355 A CB -2.005 16.802 19.000 -0.323 0.000 1.032 355 A HN 0.800 nan 8.150 nan 0.000 0.642 356 N N -0.833 118.088 118.700 0.367 0.000 2.287 356 N HA 0.588 5.328 4.740 0.001 0.000 0.289 356 N C -1.363 174.372 175.510 0.374 0.000 1.066 356 N CA -0.011 53.300 53.050 0.434 0.000 0.841 356 N CB 1.995 40.623 38.487 0.235 0.000 1.599 356 N HN 0.387 nan 8.380 nan 0.000 0.476 357 E N 1.286 121.634 120.200 0.246 0.000 2.343 357 E HA 0.333 4.683 4.350 0.001 0.000 0.278 357 E C -1.549 175.062 176.600 0.019 0.000 0.910 357 E CA -0.496 55.843 56.400 -0.102 0.000 0.757 357 E CB 1.137 30.345 29.700 -0.820 0.000 1.218 357 E HN 0.369 nan 8.360 nan 0.000 0.435 358 D N 2.231 122.646 120.400 0.024 0.000 2.382 358 D HA -0.016 4.625 4.640 0.001 0.000 0.240 358 D C 0.564 176.893 176.300 0.047 0.000 1.146 358 D CA 0.055 54.106 54.000 0.085 0.000 0.897 358 D CB 0.367 41.201 40.800 0.055 0.000 1.197 358 D HN 0.571 nan 8.370 nan 0.000 0.432 359 Y N 1.770 122.099 120.300 0.049 0.000 2.207 359 Y HA -0.249 4.301 4.550 0.001 0.000 0.287 359 Y C 1.450 177.354 175.900 0.008 0.000 1.156 359 Y CA 1.720 59.874 58.100 0.089 0.000 1.182 359 Y CB 0.043 38.554 38.460 0.086 0.000 0.979 359 Y HN 0.275 nan 8.280 nan 0.000 0.521 360 D N 0.242 120.539 120.400 -0.172 0.000 2.221 360 D HA -0.166 4.474 4.640 0.001 0.000 0.204 360 D C 1.832 177.962 176.300 -0.283 0.000 0.982 360 D CA 1.496 55.338 54.000 -0.263 0.000 0.857 360 D CB -0.049 40.699 40.800 -0.086 0.000 0.934 360 D HN 0.497 nan 8.370 nan 0.000 0.475 361 K N -0.311 119.939 120.400 -0.251 0.000 2.202 361 K HA 0.161 4.481 4.320 0.001 0.000 0.201 361 K C 2.230 178.620 176.600 -0.350 0.000 1.051 361 K CA -0.036 56.093 56.287 -0.264 0.000 0.977 361 K CB 0.263 32.617 32.500 -0.243 0.000 0.792 361 K HN 0.082 nan 8.250 nan 0.000 0.469 362 L N 2.002 122.972 121.223 -0.420 0.000 2.201 362 L HA -0.138 4.203 4.340 0.001 0.000 0.212 362 L C 2.189 178.795 176.870 -0.440 0.000 1.105 362 L CA 1.078 55.602 54.840 -0.526 0.000 0.775 362 L CB -0.453 41.220 42.059 -0.643 0.000 0.913 362 L HN 0.208 nan 8.230 nan 0.000 0.440 363 K N 0.105 120.255 120.400 -0.417 0.000 2.519 363 K HA -0.107 4.214 4.320 0.001 0.000 0.196 363 K C 1.129 177.602 176.600 -0.213 0.000 1.041 363 K CA 1.594 57.697 56.287 -0.308 0.000 0.954 363 K CB -0.385 31.784 32.500 -0.553 0.000 0.774 363 K HN 0.371 nan 8.250 nan 0.000 0.480 364 T N -1.908 112.510 114.554 -0.226 0.000 3.170 364 T HA 0.246 4.597 4.350 0.001 0.000 0.288 364 T C 0.033 174.638 174.700 -0.158 0.000 0.992 364 T CA -0.712 61.290 62.100 -0.164 0.000 0.909 364 T CB 0.057 68.838 68.868 -0.144 0.000 1.133 364 T HN 0.176 nan 8.240 nan 0.000 0.530 365 L N 2.615 123.717 121.223 -0.201 0.000 2.278 365 L HA 0.588 4.929 4.340 0.001 0.000 0.287 365 L C 1.105 177.910 176.870 -0.109 0.000 1.072 365 L CA 0.675 55.413 54.840 -0.171 0.000 0.819 365 L CB -0.174 41.731 42.059 -0.256 0.000 1.176 365 L HN 0.581 nan 8.230 nan 0.000 0.435 366 G N 3.938 112.696 108.800 -0.070 0.000 2.582 366 G HA2 -0.299 3.661 3.960 0.001 0.000 0.288 366 G HA3 -0.299 3.661 3.960 0.001 0.000 0.288 366 G C -0.036 174.836 174.900 -0.047 0.000 1.247 366 G CA 0.150 45.225 45.100 -0.041 0.000 0.972 366 G HN 0.651 nan 8.290 nan 0.000 0.557 367 T N 0.978 115.524 114.554 -0.013 0.000 2.859 367 T HA 0.534 4.884 4.350 0.001 0.000 0.281 367 T C -0.220 174.355 174.700 -0.207 0.000 1.005 367 T CA 0.188 62.230 62.100 -0.097 0.000 1.025 367 T CB 1.717 70.543 68.868 -0.070 0.000 0.977 367 T HN 0.701 nan 8.240 nan 0.000 0.458 368 D N 1.104 121.325 120.400 -0.299 0.000 2.304 368 D HA 0.211 4.851 4.640 0.001 0.000 0.247 368 D C -0.567 175.316 176.300 -0.695 0.000 1.089 368 D CA 0.052 53.872 54.000 -0.300 0.000 0.910 368 D CB 0.525 41.251 40.800 -0.124 0.000 1.199 368 D HN 0.447 nan 8.370 nan 0.000 0.426 369 H N 2.111 120.943 119.070 -0.397 0.000 2.771 369 H HA 0.261 4.818 4.556 0.001 0.000 0.361 369 H C -1.379 173.580 175.328 -0.615 0.000 1.108 369 H CA -0.551 55.053 56.048 -0.741 0.000 1.201 369 H CB 1.411 30.167 29.762 -1.678 0.000 1.681 369 H HN 0.419 nan 8.280 nan 0.000 0.534 370 Y N 2.053 122.103 120.300 -0.416 0.000 2.386 370 Y HA 0.264 4.814 4.550 0.001 0.000 0.334 370 Y C -1.372 174.481 175.900 -0.078 0.000 1.002 370 Y CA -1.079 56.896 58.100 -0.208 0.000 1.068 370 Y CB 1.676 40.068 38.460 -0.113 0.000 1.203 370 Y HN 0.565 nan 8.280 nan 0.000 0.443 371 D N 4.519 124.664 120.400 -0.426 0.000 2.454 371 D HA 0.498 5.138 4.640 0.001 0.000 0.247 371 D C 0.372 176.335 176.300 -0.562 0.000 1.129 371 D CA 0.155 53.963 54.000 -0.321 0.000 0.877 371 D CB 1.523 42.432 40.800 0.182 0.000 1.082 371 D HN 0.717 nan 8.370 nan 0.000 0.537 372 A N 3.486 125.853 122.820 -0.755 0.000 2.015 372 A HA 0.064 4.385 4.320 0.001 0.000 0.219 372 A C 2.105 179.661 177.584 -0.047 0.000 1.163 372 A CA 1.541 53.342 52.037 -0.394 0.000 0.646 372 A CB -0.452 18.429 19.000 -0.198 0.000 0.806 372 A HN 0.625 nan 8.150 nan 0.000 0.448 373 A N -0.308 122.490 122.820 -0.038 0.000 1.933 373 A HA -0.083 4.237 4.320 0.001 0.000 0.218 373 A C 2.261 179.927 177.584 0.137 0.000 1.175 373 A CA 2.348 54.404 52.037 0.033 0.000 0.628 373 A CB -0.881 18.133 19.000 0.023 0.000 0.814 373 A HN 0.776 nan 8.150 nan 0.000 0.444 374 T N -4.972 109.663 114.554 0.136 0.000 3.023 374 T HA 0.426 4.777 4.350 0.001 0.000 0.253 374 T C 1.149 175.919 174.700 0.117 0.000 1.038 374 T CA 0.954 63.162 62.100 0.180 0.000 0.962 374 T CB 0.087 69.010 68.868 0.091 0.000 1.018 374 T HN 1.735 nan 8.240 nan 0.000 0.521 375 G N 1.891 110.746 108.800 0.092 0.000 2.333 375 G HA2 -0.106 3.854 3.960 0.001 0.000 0.296 375 G HA3 -0.106 3.854 3.960 0.001 0.000 0.296 375 G C -0.001 174.913 174.900 0.024 0.000 1.059 375 G CA 0.248 45.378 45.100 0.049 0.000 1.050 375 G HN 1.384 nan 8.290 nan 0.000 0.508 376 S N -1.424 114.307 115.700 0.052 0.000 2.627 376 S HA 1.022 5.493 4.470 0.001 0.000 0.283 376 S C -0.200 174.590 174.600 0.316 0.000 1.127 376 S CA 0.130 58.376 58.200 0.076 0.000 0.863 376 S CB 2.723 65.718 63.200 -0.342 0.000 1.121 376 S HN 2.082 nan 8.310 nan 0.000 0.479 377 A N 0.396 123.456 122.820 0.400 0.000 2.587 377 A HA 0.938 5.259 4.320 0.001 0.000 0.293 377 A C -1.660 176.335 177.584 0.686 0.000 1.087 377 A CA -0.886 51.395 52.037 0.407 0.000 0.692 377 A CB 0.909 19.987 19.000 0.131 0.000 1.291 377 A HN 1.894 nan 8.150 nan 0.000 0.407 378 W N 0.152 121.641 121.300 0.315 0.000 3.059 378 W HA 0.795 5.456 4.660 0.001 0.000 0.329 378 W C -1.339 175.171 176.519 -0.015 0.000 1.246 378 W CA -0.739 56.615 57.345 0.016 0.000 1.190 378 W CB 0.902 29.955 29.460 -0.679 0.000 1.423 378 W HN 0.601 nan 8.180 nan 0.000 0.571 379 R N 1.598 122.090 120.500 -0.014 0.000 2.732 379 R HA 0.587 4.928 4.340 0.001 0.000 0.278 379 R C -1.928 174.500 176.300 0.214 0.000 0.976 379 R CA -1.202 54.903 56.100 0.008 0.000 0.963 379 R CB 1.795 32.003 30.300 -0.152 0.000 1.150 379 R HN 0.714 nan 8.270 nan 0.000 0.478 380 Y N 1.468 121.856 120.300 0.147 0.000 2.441 380 Y HA 0.180 4.731 4.550 0.001 0.000 0.334 380 Y C -0.804 175.210 175.900 0.190 0.000 1.061 380 Y CA -1.597 56.630 58.100 0.211 0.000 1.032 380 Y CB 1.500 40.136 38.460 0.293 0.000 1.266 380 Y HN 0.719 nan 8.280 nan 0.000 0.441 381 D N 2.123 122.336 120.400 -0.311 0.000 2.563 381 D HA 0.311 4.951 4.640 0.001 0.000 0.237 381 D C 1.308 177.332 176.300 -0.461 0.000 1.282 381 D CA 0.407 54.244 54.000 -0.272 0.000 0.816 381 D CB 0.343 41.093 40.800 -0.084 0.000 1.066 381 D HN 0.992 nan 8.370 nan 0.000 0.501 382 G N -0.532 107.588 108.800 -1.133 0.000 2.258 382 G HA2 -0.332 3.629 3.960 0.001 0.000 0.233 382 G HA3 -0.332 3.629 3.960 0.001 0.000 0.233 382 G C 1.061 175.779 174.900 -0.302 0.000 1.006 382 G CA 0.691 45.371 45.100 -0.701 0.000 0.620 382 G HN 0.425 nan 8.290 nan 0.000 0.511 383 T N -0.387 114.043 114.554 -0.206 0.000 3.176 383 T HA 0.282 4.633 4.350 0.001 0.000 0.259 383 T C 0.816 175.597 174.700 0.135 0.000 0.978 383 T CA 0.626 62.739 62.100 0.022 0.000 1.050 383 T CB 0.536 69.415 68.868 0.019 0.000 1.136 383 T HN 0.393 nan 8.240 nan 0.000 0.465 384 Q N -0.021 119.861 119.800 0.137 0.000 2.230 384 Q HA 0.452 4.792 4.340 0.001 0.000 0.253 384 Q C -1.710 174.546 176.000 0.426 0.000 0.919 384 Q CA -0.536 55.406 55.803 0.231 0.000 0.908 384 Q CB 2.010 30.935 28.738 0.312 0.000 1.245 384 Q HN 0.387 nan 8.270 nan 0.000 0.437 385 W N 3.011 124.397 121.300 0.142 0.000 2.619 385 W HA 0.455 5.115 4.660 0.001 0.000 0.327 385 W C -1.990 174.586 176.519 0.096 0.000 1.027 385 W CA -0.471 57.039 57.345 0.274 0.000 1.233 385 W CB 1.029 30.555 29.460 0.110 0.000 1.370 385 W HN 0.590 nan 8.180 nan 0.000 0.453 386 W N 4.620 125.953 121.300 0.055 0.000 2.600 386 W HA 0.475 5.136 4.660 0.001 0.000 0.325 386 W C -0.100 176.380 176.519 -0.065 0.000 1.034 386 W CA -0.934 56.454 57.345 0.071 0.000 1.226 386 W CB 2.120 31.541 29.460 -0.065 0.000 1.379 386 W HN 0.179 nan 8.180 nan 0.000 0.466 387 S N 4.531 120.494 115.700 0.437 0.000 2.438 387 S HA 0.630 5.101 4.470 0.001 0.000 0.293 387 S C -0.873 174.029 174.600 0.504 0.000 1.141 387 S CA -0.320 58.147 58.200 0.445 0.000 1.080 387 S CB -0.067 63.483 63.200 0.583 0.000 0.978 387 S HN 0.385 nan 8.310 nan 0.000 0.479 388 Y N 1.610 122.049 120.300 0.231 0.000 2.840 388 Y HA 0.685 5.236 4.550 0.001 0.000 0.324 388 Y C -1.542 174.444 175.900 0.144 0.000 1.378 388 Y CA -1.815 56.374 58.100 0.148 0.000 1.077 388 Y CB 0.220 38.776 38.460 0.160 0.000 1.361 388 Y HN 0.370 nan 8.280 nan 0.000 0.459 389 D N 1.308 121.564 120.400 -0.241 0.000 2.185 389 D HA 0.344 4.984 4.640 0.001 0.000 0.247 389 D C -0.848 175.037 176.300 -0.692 0.000 1.027 389 D CA -0.071 53.722 54.000 -0.345 0.000 0.861 389 D CB 1.697 42.442 40.800 -0.092 0.000 1.202 389 D HN 0.728 nan 8.370 nan 0.000 0.453 390 N N 1.104 119.464 118.700 -0.566 0.000 3.091 390 N HA 0.247 4.987 4.740 0.001 0.000 0.329 390 N C 0.891 176.233 175.510 -0.281 0.000 1.430 390 N CA -0.594 52.196 53.050 -0.432 0.000 0.755 390 N CB 0.474 38.743 38.487 -0.363 0.000 1.626 390 N HN 0.063 nan 8.380 nan 0.000 0.614 391 I N -0.018 120.435 120.570 -0.195 0.000 2.208 391 I HA -0.186 3.984 4.170 0.001 0.000 0.245 391 I C 2.269 178.243 176.117 -0.237 0.000 1.097 391 I CA 1.706 62.896 61.300 -0.183 0.000 1.363 391 I CB -1.903 36.023 38.000 -0.124 0.000 1.051 391 I HN 0.745 nan 8.210 nan 0.000 0.413 392 A N 1.085 123.689 122.820 -0.360 0.000 1.877 392 A HA -0.235 4.085 4.320 0.001 0.000 0.216 392 A C 2.441 179.733 177.584 -0.486 0.000 1.186 392 A CA 2.823 54.494 52.037 -0.609 0.000 0.620 392 A CB -1.194 17.058 19.000 -1.247 0.000 0.822 392 A HN 0.547 nan 8.150 nan 0.000 0.443 393 T N -3.647 110.711 114.554 -0.328 0.000 2.904 393 T HA -0.092 4.259 4.350 0.001 0.000 0.267 393 T C 1.759 176.406 174.700 -0.088 0.000 1.059 393 T CA 1.924 63.972 62.100 -0.086 0.000 1.137 393 T CB -0.851 68.004 68.868 -0.022 0.000 0.879 393 T HN 0.311 nan 8.240 nan 0.000 0.467 394 T N 1.788 116.278 114.554 -0.106 0.000 2.777 394 T HA 0.005 4.355 4.350 0.001 0.000 0.266 394 T C 1.967 176.622 174.700 -0.075 0.000 1.040 394 T CA 1.205 63.280 62.100 -0.041 0.000 1.141 394 T CB -0.192 68.700 68.868 0.041 0.000 0.868 394 T HN 0.485 nan 8.240 nan 0.000 0.444 395 K N 0.834 121.172 120.400 -0.104 0.000 2.057 395 K HA -0.098 4.222 4.320 0.001 0.000 0.206 395 K C 2.547 179.117 176.600 -0.050 0.000 1.050 395 K CA 1.090 57.320 56.287 -0.096 0.000 0.935 395 K CB -0.144 32.294 32.500 -0.103 0.000 0.715 395 K HN 0.370 nan 8.250 nan 0.000 0.439 396 Q N 1.476 121.264 119.800 -0.020 0.000 2.079 396 Q HA -0.164 4.177 4.340 0.001 0.000 0.200 396 Q C 1.601 177.631 176.000 0.050 0.000 0.974 396 Q CA 1.562 57.400 55.803 0.058 0.000 0.840 396 Q CB 0.177 29.000 28.738 0.142 0.000 0.898 396 Q HN 0.161 nan 8.270 nan 0.000 0.430 397 K N -0.653 119.738 120.400 -0.015 0.000 2.217 397 K HA -0.045 4.276 4.320 0.001 0.000 0.202 397 K C 1.989 178.610 176.600 0.035 0.000 1.051 397 K CA 1.510 57.777 56.287 -0.034 0.000 0.952 397 K CB 0.145 32.575 32.500 -0.117 0.000 0.736 397 K HN 0.205 nan 8.250 nan 0.000 0.453 398 T N 1.269 115.799 114.554 -0.040 0.000 2.857 398 T HA -0.087 4.263 4.350 0.001 0.000 0.266 398 T C 1.165 175.856 174.700 -0.016 0.000 1.048 398 T CA 1.134 63.172 62.100 -0.105 0.000 1.139 398 T CB -0.146 68.529 68.868 -0.322 0.000 0.874 398 T HN 0.138 nan 8.240 nan 0.000 0.455 399 D N 0.249 120.660 120.400 0.018 0.000 2.144 399 D HA -0.069 4.571 4.640 0.001 0.000 0.199 399 D C 1.622 177.991 176.300 0.115 0.000 0.984 399 D CA 0.852 54.884 54.000 0.055 0.000 0.834 399 D CB -0.279 40.564 40.800 0.072 0.000 0.955 399 D HN 0.452 nan 8.370 nan 0.000 0.465 400 Y N 1.146 121.461 120.300 0.025 0.000 2.200 400 Y HA -0.116 4.435 4.550 0.001 0.000 0.290 400 Y C 2.197 178.130 175.900 0.055 0.000 1.137 400 Y CA 1.165 59.293 58.100 0.045 0.000 1.163 400 Y CB -0.280 38.182 38.460 0.003 0.000 0.988 400 Y HN -0.116 nan 8.280 nan 0.000 0.518 401 I N -0.967 119.733 120.570 0.218 0.000 2.163 401 I HA -0.339 3.832 4.170 0.001 0.000 0.243 401 I C 2.204 178.382 176.117 0.102 0.000 1.085 401 I CA 1.407 62.809 61.300 0.169 0.000 1.347 401 I CB -0.495 37.655 38.000 0.251 0.000 1.044 401 I HN 0.116 nan 8.210 nan 0.000 0.408 402 V N 0.722 120.694 119.914 0.097 0.000 2.270 402 V HA -0.271 3.849 4.120 0.001 0.000 0.245 402 V C 2.612 178.745 176.094 0.064 0.000 1.043 402 V CA 2.222 64.589 62.300 0.113 0.000 1.014 402 V CB -0.853 31.009 31.823 0.066 0.000 0.645 402 V HN 0.611 nan 8.190 nan 0.000 0.447 403 S N -0.421 115.281 115.700 0.003 0.000 2.419 403 S HA -0.175 4.295 4.470 0.001 0.000 0.233 403 S C 1.787 176.327 174.600 -0.101 0.000 1.016 403 S CA 1.025 59.204 58.200 -0.035 0.000 0.974 403 S CB -0.297 62.888 63.200 -0.026 0.000 0.786 403 S HN 0.463 nan 8.310 nan 0.000 0.492 404 K N 0.746 121.027 120.400 -0.198 0.000 2.393 404 K HA 0.241 4.561 4.320 0.001 0.000 0.193 404 K C 1.390 177.940 176.600 -0.083 0.000 1.026 404 K CA 0.630 56.787 56.287 -0.216 0.000 1.064 404 K CB -0.281 31.965 32.500 -0.424 0.000 0.833 404 K HN 0.612 nan 8.250 nan 0.000 0.521 405 G N 1.898 110.686 108.800 -0.019 0.000 2.143 405 G HA2 -0.254 3.707 3.960 0.001 0.000 0.248 405 G HA3 -0.254 3.707 3.960 0.001 0.000 0.248 405 G C 0.191 175.111 174.900 0.034 0.000 0.991 405 G CA 0.109 45.222 45.100 0.023 0.000 0.689 405 G HN 0.198 nan 8.290 nan 0.000 0.522 406 L N -0.476 120.779 121.223 0.052 0.000 2.476 406 L HA 0.447 4.787 4.340 0.001 0.000 0.264 406 L C 2.048 178.972 176.870 0.091 0.000 1.224 406 L CA 0.291 55.170 54.840 0.064 0.000 0.821 406 L CB 0.275 42.387 42.059 0.089 0.000 1.101 406 L HN 0.142 nan 8.230 nan 0.000 0.488 407 G N -0.198 108.628 108.800 0.042 0.000 2.572 407 G HA2 0.371 4.331 3.960 0.001 0.000 0.216 407 G HA3 0.371 4.331 3.960 0.001 0.000 0.216 407 G C 0.533 175.426 174.900 -0.011 0.000 1.133 407 G CA 0.711 45.799 45.100 -0.019 0.000 0.791 407 G HN 0.940 nan 8.290 nan 0.000 0.538 408 G N -2.202 106.638 108.800 0.068 0.000 2.344 408 G HA2 0.540 4.500 3.960 0.001 0.000 0.282 408 G HA3 0.540 4.500 3.960 0.001 0.000 0.282 408 G C -0.526 174.507 174.900 0.221 0.000 1.281 408 G CA 0.023 45.167 45.100 0.073 0.000 0.877 408 G HN 0.786 nan 8.290 nan 0.000 0.494 409 G N -1.140 107.845 108.800 0.309 0.000 2.685 409 G HA2 0.783 4.743 3.960 0.001 0.000 0.298 409 G HA3 0.783 4.743 3.960 0.001 0.000 0.298 409 G C -0.649 174.321 174.900 0.117 0.000 1.277 409 G CA -0.383 44.825 45.100 0.180 0.000 0.986 409 G HN 1.090 nan 8.290 nan 0.000 0.487 410 M N -0.490 119.078 119.600 -0.054 0.000 2.520 410 M HA 0.569 5.049 4.480 0.001 0.000 0.283 410 M C -2.508 173.702 176.300 -0.151 0.000 1.237 410 M CA -0.735 54.618 55.300 0.088 0.000 0.885 410 M CB 2.420 35.196 32.600 0.294 0.000 1.727 410 M HN 0.640 nan 8.290 nan 0.000 0.468 411 W N 2.981 124.505 121.300 0.373 0.000 2.883 411 W HA 0.565 5.225 4.660 0.001 0.000 0.335 411 W C -1.255 175.490 176.519 0.376 0.000 1.083 411 W CA -0.179 57.357 57.345 0.318 0.000 1.233 411 W CB 1.320 30.872 29.460 0.152 0.000 1.412 411 W HN 0.556 nan 8.180 nan 0.000 0.490 412 W N 5.570 127.066 121.300 0.326 0.000 2.499 412 W HA 0.449 5.110 4.660 0.001 0.000 0.320 412 W C -1.162 175.426 176.519 0.115 0.000 1.010 412 W CA -0.901 56.475 57.345 0.053 0.000 1.267 412 W CB 1.424 30.642 29.460 -0.404 0.000 1.316 412 W HN 0.643 nan 8.180 nan 0.000 0.431 413 E N 2.703 122.641 120.200 -0.437 0.000 2.393 413 E HA 0.361 4.711 4.350 0.001 0.000 0.273 413 E C 0.452 176.788 176.600 -0.441 0.000 0.918 413 E CA -0.841 55.104 56.400 -0.759 0.000 0.773 413 E CB 1.697 30.400 29.700 -1.662 0.000 1.275 413 E HN 0.265 nan 8.360 nan 0.000 0.451 414 L N 0.654 121.654 121.223 -0.371 0.000 2.137 414 L HA -0.252 4.088 4.340 0.001 0.000 0.213 414 L C 2.171 178.516 176.870 -0.875 0.000 1.085 414 L CA 2.016 56.630 54.840 -0.376 0.000 0.760 414 L CB -0.663 41.371 42.059 -0.041 0.000 0.893 414 L HN 0.795 nan 8.230 nan 0.000 0.434 415 S N -0.412 114.548 115.700 -1.234 0.000 2.507 415 S HA -0.060 4.410 4.470 0.001 0.000 0.235 415 S C 1.845 176.006 174.600 -0.732 0.000 0.988 415 S CA 0.718 57.955 58.200 -1.606 0.000 0.944 415 S CB -0.368 62.147 63.200 -1.142 0.000 0.762 415 S HN 0.445 nan 8.310 nan 0.000 0.526 416 G N 0.402 108.941 108.800 -0.435 0.000 2.777 416 G HA2 0.098 4.058 3.960 0.001 0.000 0.211 416 G HA3 0.098 4.058 3.960 0.001 0.000 0.211 416 G C 0.204 175.081 174.900 -0.038 0.000 1.149 416 G CA 0.424 45.440 45.100 -0.141 0.000 0.785 416 G HN 0.583 nan 8.290 nan 0.000 0.536 417 D N -0.612 119.699 120.400 -0.147 0.000 2.656 417 D HA 0.198 4.838 4.640 0.001 0.000 0.303 417 D C 1.588 177.823 176.300 -0.108 0.000 1.199 417 D CA -0.585 53.378 54.000 -0.062 0.000 0.797 417 D CB 0.084 40.739 40.800 -0.242 0.000 1.170 417 D HN 0.044 nan 8.370 nan 0.000 0.509 418 R N 0.304 120.768 120.500 -0.060 0.000 2.241 418 R HA -0.013 4.328 4.340 0.001 0.000 0.224 418 R C 0.599 176.940 176.300 0.069 0.000 1.101 418 R CA 0.658 56.791 56.100 0.054 0.000 0.995 418 R CB 0.060 30.428 30.300 0.113 0.000 0.870 418 R HN 0.228 nan 8.270 nan 0.000 0.463 419 N N -0.228 118.486 118.700 0.024 0.000 2.236 419 N HA 0.041 4.781 4.740 0.001 0.000 0.196 419 N C 0.570 176.062 175.510 -0.029 0.000 1.114 419 N CA 0.714 53.770 53.050 0.011 0.000 0.859 419 N CB 1.200 39.696 38.487 0.014 0.000 0.982 419 N HN 0.310 nan 8.380 nan 0.000 0.493 420 G N 1.623 110.379 108.800 -0.074 0.000 2.305 420 G HA2 -0.319 3.641 3.960 0.001 0.000 0.287 420 G HA3 -0.319 3.641 3.960 0.001 0.000 0.287 420 G C 0.797 175.586 174.900 -0.185 0.000 1.036 420 G CA 0.631 45.634 45.100 -0.162 0.000 0.887 420 G HN 0.408 nan 8.290 nan 0.000 0.505 421 E N -0.870 119.237 120.200 -0.155 0.000 2.072 421 E HA -0.002 4.349 4.350 0.001 0.000 0.191 421 E C 2.629 179.069 176.600 -0.267 0.000 0.985 421 E CA 1.173 57.493 56.400 -0.133 0.000 0.801 421 E CB -0.034 29.677 29.700 0.018 0.000 0.750 421 E HN 0.657 nan 8.360 nan 0.000 0.452 422 L N 0.191 121.120 121.223 -0.491 0.000 2.102 422 L HA -0.081 4.259 4.340 0.001 0.000 0.202 422 L C 2.437 178.931 176.870 -0.627 0.000 1.076 422 L CA 0.417 54.897 54.840 -0.600 0.000 0.761 422 L CB -0.358 41.158 42.059 -0.906 0.000 0.921 422 L HN 0.026 nan 8.230 nan 0.000 0.444 423 V N 0.701 120.080 119.914 -0.892 0.000 2.392 423 V HA -0.222 3.899 4.120 0.001 0.000 0.249 423 V C 2.621 178.580 176.094 -0.224 0.000 1.059 423 V CA 2.093 63.987 62.300 -0.676 0.000 1.051 423 V CB -1.298 30.162 31.823 -0.605 0.000 0.658 423 V HN 0.578 nan 8.190 nan 0.000 0.455 424 G N -0.616 108.058 108.800 -0.210 0.000 2.408 424 G HA2 -0.132 3.829 3.960 0.001 0.000 0.217 424 G HA3 -0.132 3.829 3.960 0.001 0.000 0.217 424 G C 1.762 176.602 174.900 -0.101 0.000 1.150 424 G CA 0.898 45.931 45.100 -0.113 0.000 0.776 424 G HN 0.601 nan 8.290 nan 0.000 0.542 425 A N 0.579 123.323 122.820 -0.126 0.000 1.933 425 A HA -0.000 4.320 4.320 0.001 0.000 0.218 425 A C 2.318 179.820 177.584 -0.138 0.000 1.175 425 A CA 1.919 53.887 52.037 -0.114 0.000 0.628 425 A CB -0.378 18.552 19.000 -0.118 0.000 0.814 425 A HN 0.429 nan 8.150 nan 0.000 0.444 426 M N 0.511 120.040 119.600 -0.119 0.000 2.077 426 M HA -0.161 4.320 4.480 0.001 0.000 0.261 426 M C 2.384 178.402 176.300 -0.470 0.000 1.070 426 M CA 2.318 57.449 55.300 -0.281 0.000 1.125 426 M CB -0.228 32.363 32.600 -0.015 0.000 1.339 426 M HN 0.549 nan 8.290 nan 0.000 0.409 427 S N -0.142 115.473 115.700 -0.142 0.000 2.382 427 S HA -0.176 4.294 4.470 0.001 0.000 0.228 427 S C 1.433 176.044 174.600 0.017 0.000 1.027 427 S CA 1.564 59.791 58.200 0.046 0.000 0.991 427 S CB -0.832 62.437 63.200 0.115 0.000 0.823 427 S HN 0.507 nan 8.310 nan 0.000 0.469 428 D N 1.609 121.981 120.400 -0.047 0.000 2.144 428 D HA -0.020 4.621 4.640 0.001 0.000 0.199 428 D C 2.060 178.335 176.300 -0.041 0.000 0.984 428 D CA 0.962 54.945 54.000 -0.028 0.000 0.834 428 D CB -0.170 40.603 40.800 -0.045 0.000 0.955 428 D HN 0.300 nan 8.370 nan 0.000 0.465 429 K N 0.095 120.414 120.400 -0.136 0.000 2.057 429 K HA -0.079 4.242 4.320 0.001 0.000 0.206 429 K C 2.118 178.676 176.600 -0.070 0.000 1.050 429 K CA 0.494 56.690 56.287 -0.152 0.000 0.935 429 K CB -0.527 31.803 32.500 -0.284 0.000 0.715 429 K HN 0.175 nan 8.250 nan 0.000 0.439 430 F N 1.508 121.391 119.950 -0.112 0.000 2.134 430 F HA -0.112 4.415 4.527 0.001 0.000 0.299 430 F C 2.330 178.156 175.800 0.043 0.000 1.097 430 F CA 1.103 59.010 58.000 -0.155 0.000 1.264 430 F CB -0.623 38.338 39.000 -0.065 0.000 1.001 430 F HN 0.008 nan 8.300 nan 0.000 0.479 431 R N -0.290 120.355 120.500 0.241 0.000 2.148 431 R HA -0.007 4.334 4.340 0.001 0.000 0.227 431 R C 2.128 178.502 176.300 0.124 0.000 1.103 431 R CA 1.055 57.257 56.100 0.169 0.000 0.983 431 R CB -0.561 29.808 30.300 0.115 0.000 0.874 431 R HN 0.245 nan 8.270 nan 0.000 0.451 432 A N 0.908 123.785 122.820 0.095 0.000 2.132 432 A HA 0.305 4.626 4.320 0.001 0.000 0.213 432 A C 1.103 178.737 177.584 0.084 0.000 1.154 432 A CA 0.361 52.439 52.037 0.068 0.000 0.753 432 A CB 0.115 19.136 19.000 0.035 0.000 0.826 432 A HN 0.293 nan 8.150 nan 0.000 0.469 433 A N -0.192 122.701 122.820 0.121 0.000 2.249 433 A HA 0.690 5.010 4.320 0.001 0.000 0.281 433 A C 0.812 178.508 177.584 0.188 0.000 1.127 433 A CA 0.051 52.175 52.037 0.145 0.000 0.833 433 A CB -0.242 18.845 19.000 0.146 0.000 1.140 433 A HN 1.197 nan 8.150 nan 0.000 0.502 434 A N 0.197 123.126 122.820 0.181 0.000 2.425 434 A HA 0.534 4.855 4.320 0.001 0.000 0.242 434 A C -2.317 175.372 177.584 0.175 0.000 1.077 434 A CA -1.040 51.081 52.037 0.140 0.000 0.781 434 A CB -0.919 18.144 19.000 0.105 0.000 1.020 434 A HN 0.570 nan 8.150 nan 0.000 0.494 435 P HA 0.116 nan 4.420 nan 0.000 0.262 435 P C 0.603 177.770 177.300 -0.221 0.000 1.182 435 P CA 0.901 63.980 63.100 -0.035 0.000 0.761 435 P CB 0.413 32.084 31.700 -0.048 0.000 0.795 436 G N 4.504 112.907 108.800 -0.662 0.000 2.651 436 G HA2 0.204 4.165 3.960 0.001 0.000 0.260 436 G HA3 0.204 4.165 3.960 0.001 0.000 0.260 436 G C -1.453 173.103 174.900 -0.574 0.000 1.216 436 G CA -0.854 43.485 45.100 -1.268 0.000 0.913 436 G HN 0.358 nan 8.290 nan 0.000 0.535 437 P HA 0.063 nan 4.420 nan 0.000 0.251 437 P C 0.256 177.440 177.300 -0.194 0.000 1.223 437 P CA 0.017 62.977 63.100 -0.233 0.000 0.796 437 P CB 0.352 31.961 31.700 -0.152 0.000 1.068 438 V N 1.959 121.723 119.914 -0.251 0.000 2.488 438 V HA 0.137 4.258 4.120 0.001 0.000 0.277 438 V C 1.541 177.552 176.094 -0.139 0.000 1.046 438 V CA 0.700 62.894 62.300 -0.176 0.000 0.986 438 V CB 0.716 32.418 31.823 -0.201 0.000 0.989 438 V HN 0.190 nan 8.190 nan 0.000 0.475 439 T N -0.086 114.417 114.554 -0.085 0.000 3.145 439 T HA 0.203 4.554 4.350 0.001 0.000 0.281 439 T C 0.388 175.067 174.700 -0.036 0.000 1.003 439 T CA -0.349 61.714 62.100 -0.062 0.000 0.901 439 T CB -0.107 68.732 68.868 -0.048 0.000 1.112 439 T HN 0.658 nan 8.240 nan 0.000 0.535 440 E N 1.869 122.052 120.200 -0.027 0.000 2.694 440 E HA 0.308 4.658 4.350 0.001 0.000 0.250 440 E C 0.337 176.933 176.600 -0.006 0.000 0.963 440 E CA -0.281 56.123 56.400 0.008 0.000 0.949 440 E CB 0.282 30.004 29.700 0.037 0.000 0.911 440 E HN 0.604 nan 8.360 nan 0.000 0.500 441 A N 3.799 126.616 122.820 -0.005 0.000 2.462 441 A HA 0.438 4.759 4.320 0.001 0.000 0.243 441 A C 0.203 177.764 177.584 -0.038 0.000 1.076 441 A CA 0.258 52.280 52.037 -0.026 0.000 0.773 441 A CB 0.674 19.657 19.000 -0.029 0.000 1.010 441 A HN 0.772 nan 8.150 nan 0.000 0.493 442 A N 3.213 126.000 122.820 -0.055 0.000 2.296 442 A HA 0.641 4.962 4.320 0.001 0.000 0.264 442 A C -2.285 175.254 177.584 -0.075 0.000 1.097 442 A CA -1.363 50.630 52.037 -0.074 0.000 0.811 442 A CB -0.586 18.371 19.000 -0.073 0.000 1.072 442 A HN 0.659 nan 8.150 nan 0.000 0.495 443 P HA 0.204 nan 4.420 nan 0.000 0.269 443 P C -2.028 175.226 177.300 -0.078 0.000 1.215 443 P CA -0.597 62.453 63.100 -0.083 0.000 0.780 443 P CB -0.130 31.522 31.700 -0.081 0.000 0.898 444 P HA 0.000 nan 4.420 nan 0.000 0.216 444 P CA 0.000 63.058 63.100 -0.070 0.000 0.800 444 P CB 0.000 31.654 31.700 -0.077 0.000 0.726