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 1yxc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFTGSIVAIV TPMDEKGNVC RASLKKLIDY HVASGTSAIV SVGTTGESAT DATA SEQUENCE LNHDEHADVV MMTLDLADGR IPVIAGTGAN ATAEAISLTQ RFNDSGIVGC DATA SEQUENCE LTVTPYYNRP SQEGLYQHFK AIAEHTDLPQ ILYNVPSRTG CDLLPETVGR DATA SEQUENCE LAKVKNIIGI KEATGNLTRV NQIKELVSDD FVLLSGDDAS ALDFMQLGGH DATA SEQUENCE GVISVTANVA ARDMAQMCKL AAEGHFAEAR VINQRLMPLH NKLFVEPNPI DATA SEQUENCE PVKWACKELG LVATDTLRLP MTPITDSGRE TVRAALKHAG LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.670 176.300 -1.050 0.000 1.140 1 M CA 0.000 54.894 55.300 -0.678 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 F N 1.665 121.571 119.950 -0.073 0.000 2.556 2 F HA 0.717 5.226 4.527 -0.030 0.000 0.384 2 F C -0.017 175.746 175.800 -0.062 0.000 1.493 2 F CA -0.473 57.475 58.000 -0.086 0.000 1.119 2 F CB 0.998 39.928 39.000 -0.117 0.000 1.280 2 F HN 0.419 nan 8.300 nan 0.000 0.525 3 T N -0.673 113.904 114.554 0.038 0.000 2.821 3 T HA 0.664 4.995 4.350 -0.031 0.000 0.306 3 T C 0.130 174.845 174.700 0.025 0.000 1.313 3 T CA 0.022 62.155 62.100 0.055 0.000 1.012 3 T CB 1.931 70.818 68.868 0.032 0.000 1.298 3 T HN 0.692 nan 8.240 nan 0.000 0.502 4 G N 1.745 110.573 108.800 0.046 0.000 2.562 4 G HA2 -0.172 3.769 3.960 -0.031 0.000 0.250 4 G HA3 -0.172 3.769 3.960 -0.031 0.000 0.250 4 G C 0.057 174.963 174.900 0.009 0.000 1.269 4 G CA 0.065 45.178 45.100 0.022 0.000 0.919 4 G HN 1.210 nan 8.290 nan 0.000 0.574 5 S N 0.073 115.770 115.700 -0.004 0.000 2.416 5 S HA 0.596 5.047 4.470 -0.031 0.000 0.287 5 S C 0.342 174.920 174.600 -0.038 0.000 1.139 5 S CA -0.539 57.655 58.200 -0.010 0.000 1.058 5 S CB -0.484 62.720 63.200 0.005 0.000 0.967 5 S HN 0.615 nan 8.310 nan 0.000 0.495 6 I N 5.150 125.690 120.570 -0.051 0.000 2.339 6 I HA 0.341 4.493 4.170 -0.031 0.000 0.290 6 I C 0.039 176.095 176.117 -0.102 0.000 0.994 6 I CA -0.860 60.390 61.300 -0.083 0.000 1.191 6 I CB 1.802 39.761 38.000 -0.069 0.000 1.343 6 I HN 0.299 nan 8.210 nan 0.000 0.458 7 V N 6.854 126.667 119.914 -0.168 0.000 2.488 7 V HA 0.440 4.541 4.120 -0.031 0.000 0.277 7 V C 0.677 176.683 176.094 -0.147 0.000 1.046 7 V CA -0.324 61.862 62.300 -0.190 0.000 0.986 7 V CB 1.342 32.895 31.823 -0.450 0.000 0.989 7 V HN 0.844 nan 8.190 nan 0.000 0.475 8 A N 8.044 130.814 122.820 -0.083 0.000 2.805 8 A HA 0.397 4.699 4.320 -0.031 0.000 0.301 8 A C 0.078 177.638 177.584 -0.040 0.000 1.557 8 A CA -0.180 51.821 52.037 -0.060 0.000 1.254 8 A CB -0.499 18.485 19.000 -0.027 0.000 1.114 8 A HN 0.898 nan 8.150 nan 0.000 0.553 9 I N 3.437 123.969 120.570 -0.063 0.000 2.529 9 I HA 0.196 4.348 4.170 -0.031 0.000 0.284 9 I C 0.675 176.786 176.117 -0.009 0.000 1.082 9 I CA -0.393 60.889 61.300 -0.031 0.000 1.406 9 I CB 1.268 39.236 38.000 -0.053 0.000 1.405 9 I HN 0.546 nan 8.210 nan 0.000 0.548 10 V N 3.682 123.604 119.914 0.014 0.000 2.999 10 V HA 0.119 4.220 4.120 -0.031 0.000 0.307 10 V C 0.315 176.407 176.094 -0.003 0.000 1.084 10 V CA -0.282 62.019 62.300 0.003 0.000 1.155 10 V CB 0.578 32.404 31.823 0.005 0.000 0.975 10 V HN 0.770 nan 8.190 nan 0.000 0.490 11 T N 6.618 121.164 114.554 -0.012 0.000 2.875 11 T HA 0.349 4.681 4.350 -0.031 0.000 0.307 11 T C -2.285 172.412 174.700 -0.005 0.000 1.013 11 T CA -0.615 61.478 62.100 -0.012 0.000 0.970 11 T CB 0.428 69.283 68.868 -0.022 0.000 0.986 11 T HN 0.819 nan 8.240 nan 0.000 0.536 12 P HA 0.264 nan 4.420 nan 0.000 0.271 12 P C -0.657 176.641 177.300 -0.004 0.000 1.216 12 P CA -0.268 62.828 63.100 -0.007 0.000 0.771 12 P CB 0.719 32.413 31.700 -0.011 0.000 0.864 13 M N 1.855 121.452 119.600 -0.004 0.000 2.662 13 M HA 0.299 4.761 4.480 -0.031 0.000 0.310 13 M C 0.483 176.782 176.300 -0.001 0.000 1.204 13 M CA -0.841 54.459 55.300 0.000 0.000 0.891 13 M CB 1.823 34.425 32.600 0.004 0.000 1.732 13 M HN 0.339 nan 8.290 nan 0.000 0.467 14 D N 0.227 120.628 120.400 0.001 0.000 2.447 14 D HA 0.095 4.717 4.640 -0.031 0.000 0.265 14 D C 0.273 176.575 176.300 0.003 0.000 1.250 14 D CA -0.228 53.772 54.000 0.000 0.000 1.046 14 D CB 0.432 41.233 40.800 0.001 0.000 1.095 14 D HN 0.663 nan 8.370 nan 0.000 0.555 15 E N -1.042 119.160 120.200 0.003 0.000 2.338 15 E HA -0.114 4.218 4.350 -0.031 0.000 0.197 15 E C 1.402 178.006 176.600 0.007 0.000 1.007 15 E CA 0.743 57.147 56.400 0.006 0.000 0.849 15 E CB 0.014 29.717 29.700 0.006 0.000 0.774 15 E HN 0.389 nan 8.360 nan 0.000 0.506 16 K N -0.606 119.798 120.400 0.007 0.000 2.459 16 K HA 0.061 4.363 4.320 -0.031 0.000 0.193 16 K C 0.972 177.578 176.600 0.009 0.000 1.030 16 K CA 0.517 56.808 56.287 0.007 0.000 1.026 16 K CB 0.611 33.116 32.500 0.007 0.000 0.809 16 K HN 0.204 nan 8.250 nan 0.000 0.504 17 G N 1.931 110.736 108.800 0.009 0.000 2.132 17 G HA2 -0.190 3.751 3.960 -0.031 0.000 0.234 17 G HA3 -0.190 3.751 3.960 -0.031 0.000 0.234 17 G C -0.441 174.466 174.900 0.012 0.000 0.989 17 G CA -0.339 44.767 45.100 0.010 0.000 0.676 17 G HN 0.241 nan 8.290 nan 0.000 0.522 18 N N -0.626 118.081 118.700 0.012 0.000 2.443 18 N HA 0.501 5.222 4.740 -0.031 0.000 0.293 18 N C 0.223 175.741 175.510 0.013 0.000 1.159 18 N CA -0.410 52.649 53.050 0.015 0.000 0.904 18 N CB 2.158 40.655 38.487 0.016 0.000 1.214 18 N HN 0.231 nan 8.380 nan 0.000 0.513 19 V N 0.876 120.800 119.914 0.016 0.000 2.617 19 V HA -0.061 4.040 4.120 -0.031 0.000 0.304 19 V C 0.135 176.235 176.094 0.011 0.000 1.040 19 V CA -0.181 62.127 62.300 0.013 0.000 1.149 19 V CB 0.003 31.837 31.823 0.019 0.000 0.914 19 V HN 0.797 nan 8.190 nan 0.000 0.487 20 C N 8.256 127.559 119.300 0.005 0.000 2.246 20 C HA 0.413 4.855 4.460 -0.031 0.000 0.329 20 C C 1.627 176.619 174.990 0.003 0.000 1.221 20 C CA -0.625 58.394 59.018 0.002 0.000 1.697 20 C CB -0.095 27.642 27.740 -0.004 0.000 2.312 20 C HN 1.106 nan 8.230 nan 0.000 0.509 21 R N 3.864 124.368 120.500 0.006 0.000 2.090 21 R HA -0.052 4.269 4.340 -0.031 0.000 0.228 21 R C 2.049 178.351 176.300 0.005 0.000 1.110 21 R CA 1.727 57.832 56.100 0.008 0.000 0.973 21 R CB -0.232 30.074 30.300 0.011 0.000 0.869 21 R HN 0.880 nan 8.270 nan 0.000 0.440 22 A N 0.287 123.107 122.820 -0.000 0.000 1.877 22 A HA -0.134 4.167 4.320 -0.031 0.000 0.216 22 A C 2.249 179.827 177.584 -0.009 0.000 1.186 22 A CA 1.933 53.967 52.037 -0.005 0.000 0.620 22 A CB -0.527 18.467 19.000 -0.009 0.000 0.822 22 A HN 0.396 nan 8.150 nan 0.000 0.443 23 S N -0.561 115.131 115.700 -0.013 0.000 2.368 23 S HA -0.123 4.329 4.470 -0.031 0.000 0.225 23 S C 1.851 176.447 174.600 -0.007 0.000 1.030 23 S CA 1.357 59.544 58.200 -0.021 0.000 0.999 23 S CB -0.421 62.763 63.200 -0.027 0.000 0.844 23 S HN 0.456 nan 8.310 nan 0.000 0.459 24 L N 2.316 123.542 121.223 0.005 0.000 2.017 24 L HA -0.048 4.274 4.340 -0.031 0.000 0.208 24 L C 2.201 179.089 176.870 0.030 0.000 1.073 24 L CA 1.879 56.731 54.840 0.021 0.000 0.745 24 L CB -0.668 41.402 42.059 0.018 0.000 0.894 24 L HN 0.178 nan 8.230 nan 0.000 0.432 25 K N -0.463 119.949 120.400 0.020 0.000 2.063 25 K HA -0.288 4.014 4.320 -0.031 0.000 0.208 25 K C 2.331 178.947 176.600 0.027 0.000 1.048 25 K CA 1.999 58.300 56.287 0.022 0.000 0.928 25 K CB -0.171 32.337 32.500 0.013 0.000 0.713 25 K HN 0.294 nan 8.250 nan 0.000 0.442 26 K N 0.626 121.033 120.400 0.012 0.000 2.032 26 K HA -0.129 4.173 4.320 -0.031 0.000 0.209 26 K C 2.173 178.790 176.600 0.029 0.000 1.048 26 K CA 1.534 57.823 56.287 0.002 0.000 0.927 26 K CB -0.118 32.362 32.500 -0.034 0.000 0.712 26 K HN 0.146 nan 8.250 nan 0.000 0.441 27 L N 0.653 121.900 121.223 0.039 0.000 2.012 27 L HA -0.233 4.089 4.340 -0.031 0.000 0.210 27 L C 2.405 179.405 176.870 0.217 0.000 1.073 27 L CA 1.365 56.275 54.840 0.117 0.000 0.748 27 L CB -0.456 41.687 42.059 0.141 0.000 0.891 27 L HN 0.254 nan 8.230 nan 0.000 0.431 28 I N -0.442 120.225 120.570 0.162 0.000 2.252 28 I HA -0.267 3.884 4.170 -0.031 0.000 0.245 28 I C 2.143 178.326 176.117 0.110 0.000 1.102 28 I CA 1.057 62.451 61.300 0.156 0.000 1.385 28 I CB -0.429 37.622 38.000 0.085 0.000 1.064 28 I HN 0.242 nan 8.210 nan 0.000 0.414 29 D N 0.324 120.770 120.400 0.076 0.000 2.104 29 D HA -0.261 4.360 4.640 -0.031 0.000 0.194 29 D C 1.924 178.254 176.300 0.050 0.000 0.994 29 D CA 1.481 55.511 54.000 0.050 0.000 0.830 29 D CB -0.490 40.334 40.800 0.040 0.000 0.959 29 D HN 0.377 nan 8.370 nan 0.000 0.452 30 Y N 1.433 121.678 120.300 -0.092 0.000 2.128 30 Y HA -0.279 4.253 4.550 -0.030 0.000 0.284 30 Y C 2.369 178.134 175.900 -0.224 0.000 1.154 30 Y CA 1.842 59.833 58.100 -0.182 0.000 1.149 30 Y CB -0.425 37.875 38.460 -0.267 0.000 0.976 30 Y HN 0.152 nan 8.280 nan 0.000 0.505 31 H N -1.208 117.777 119.070 -0.142 0.000 2.423 31 H HA -0.087 4.450 4.556 -0.031 0.000 0.297 31 H C 2.529 177.758 175.328 -0.165 0.000 1.075 31 H CA 1.588 57.498 56.048 -0.230 0.000 1.342 31 H CB -0.469 29.239 29.762 -0.089 0.000 1.395 31 H HN 0.349 nan 8.280 nan 0.000 0.530 32 V N 1.128 121.042 119.914 0.001 0.000 2.307 32 V HA -0.216 3.886 4.120 -0.031 0.000 0.245 32 V C 2.777 178.835 176.094 -0.060 0.000 1.045 32 V CA 1.615 63.902 62.300 -0.021 0.000 1.024 32 V CB -0.935 30.885 31.823 -0.005 0.000 0.651 32 V HN 0.447 nan 8.190 nan 0.000 0.449 33 A N -0.864 121.908 122.820 -0.080 0.000 2.015 33 A HA -0.147 4.154 4.320 -0.031 0.000 0.219 33 A C 2.345 179.852 177.584 -0.129 0.000 1.163 33 A CA 1.994 53.980 52.037 -0.085 0.000 0.646 33 A CB -0.387 18.578 19.000 -0.059 0.000 0.806 33 A HN 0.510 nan 8.150 nan 0.000 0.448 34 S N -2.041 113.525 115.700 -0.224 0.000 2.524 34 S HA 0.357 4.809 4.470 -0.031 0.000 0.216 34 S C 1.400 175.913 174.600 -0.144 0.000 0.987 34 S CA 0.759 58.806 58.200 -0.256 0.000 0.909 34 S CB 0.247 63.129 63.200 -0.531 0.000 0.781 34 S HN 1.577 nan 8.310 nan 0.000 0.521 35 G N 1.881 110.619 108.800 -0.103 0.000 2.141 35 G HA2 -0.245 3.696 3.960 -0.031 0.000 0.242 35 G HA3 -0.245 3.696 3.960 -0.031 0.000 0.242 35 G C 0.137 175.008 174.900 -0.049 0.000 0.982 35 G CA 0.154 45.215 45.100 -0.064 0.000 0.662 35 G HN 0.440 nan 8.290 nan 0.000 0.527 36 T N 1.223 115.754 114.554 -0.038 0.000 2.933 36 T HA 0.317 4.649 4.350 -0.031 0.000 0.306 36 T C 1.702 176.374 174.700 -0.046 0.000 1.045 36 T CA 0.773 62.862 62.100 -0.018 0.000 1.143 36 T CB 1.251 70.147 68.868 0.047 0.000 1.003 36 T HN 0.262 nan 8.240 nan 0.000 0.540 37 S N 1.633 117.298 115.700 -0.059 0.000 2.387 37 S HA 0.309 4.761 4.470 -0.031 0.000 0.226 37 S C 0.903 175.440 174.600 -0.105 0.000 1.026 37 S CA 0.600 58.754 58.200 -0.077 0.000 0.972 37 S CB 0.042 63.200 63.200 -0.070 0.000 0.814 37 S HN 0.974 nan 8.310 nan 0.000 0.477 38 A N -0.042 122.711 122.820 -0.113 0.000 2.586 38 A HA 0.715 5.016 4.320 -0.031 0.000 0.290 38 A C -1.810 175.689 177.584 -0.142 0.000 1.086 38 A CA -0.751 51.209 52.037 -0.128 0.000 0.665 38 A CB 0.694 19.607 19.000 -0.146 0.000 1.279 38 A HN 0.178 nan 8.150 nan 0.000 0.423 39 I N 0.878 121.368 120.570 -0.133 0.000 2.406 39 I HA 0.420 4.571 4.170 -0.031 0.000 0.290 39 I C -0.690 175.361 176.117 -0.111 0.000 0.999 39 I CA -0.992 60.218 61.300 -0.150 0.000 1.124 39 I CB 1.985 39.905 38.000 -0.134 0.000 1.289 39 I HN 0.323 nan 8.210 nan 0.000 0.441 40 V N 5.195 125.043 119.914 -0.110 0.000 2.385 40 V HA 0.172 4.273 4.120 -0.031 0.000 0.269 40 V C 0.377 176.417 176.094 -0.089 0.000 1.043 40 V CA -0.083 62.165 62.300 -0.088 0.000 0.906 40 V CB 1.278 33.048 31.823 -0.088 0.000 0.995 40 V HN 0.768 nan 8.190 nan 0.000 0.467 41 S N 4.017 119.661 115.700 -0.094 0.000 2.457 41 S HA 0.425 4.876 4.470 -0.031 0.000 0.289 41 S C 0.311 174.840 174.600 -0.118 0.000 1.163 41 S CA -0.450 57.690 58.200 -0.100 0.000 1.078 41 S CB 0.897 64.031 63.200 -0.110 0.000 0.987 41 S HN 1.037 nan 8.310 nan 0.000 0.482 42 V N 3.936 123.764 119.914 -0.142 0.000 5.479 42 V HA -0.220 3.881 4.120 -0.031 0.000 0.289 42 V C 1.163 177.162 176.094 -0.159 0.000 0.595 42 V CA 1.094 63.245 62.300 -0.248 0.000 0.649 42 V CB -2.686 28.778 31.823 -0.599 0.000 0.390 42 V HN 0.960 nan 8.190 nan 0.000 0.974 43 G N 0.339 109.108 108.800 -0.052 0.000 2.582 43 G HA2 0.376 4.318 3.960 -0.031 0.000 0.232 43 G HA3 0.376 4.318 3.960 -0.031 0.000 0.232 43 G C 1.013 175.950 174.900 0.062 0.000 1.458 43 G CA 0.515 45.640 45.100 0.042 0.000 1.062 43 G HN 0.405 nan 8.290 nan 0.000 0.566 44 T N 0.205 114.844 114.554 0.142 0.000 2.684 44 T HA -0.133 4.198 4.350 -0.031 0.000 0.267 44 T C 2.537 177.280 174.700 0.072 0.000 1.036 44 T CA 2.091 64.273 62.100 0.137 0.000 1.148 44 T CB -0.518 68.496 68.868 0.243 0.000 0.863 44 T HN 0.384 nan 8.240 nan 0.000 0.436 45 T N 0.820 115.411 114.554 0.060 0.000 3.035 45 T HA 0.086 4.417 4.350 -0.031 0.000 0.268 45 T C 1.968 176.668 174.700 0.001 0.000 1.109 45 T CA 0.891 63.008 62.100 0.028 0.000 1.119 45 T CB -0.334 68.549 68.868 0.025 0.000 0.900 45 T HN 0.495 nan 8.240 nan 0.000 0.503 46 G N 0.720 109.512 108.800 -0.012 0.000 3.026 46 G HA2 0.110 4.052 3.960 -0.031 0.000 0.208 46 G HA3 0.110 4.052 3.960 -0.031 0.000 0.208 46 G C 0.167 175.038 174.900 -0.047 0.000 1.169 46 G CA -0.224 44.852 45.100 -0.040 0.000 0.788 46 G HN 0.556 nan 8.290 nan 0.000 0.533 47 E N -0.224 119.962 120.200 -0.025 0.000 2.389 47 E HA -0.270 4.062 4.350 -0.031 0.000 0.243 47 E C 1.842 178.424 176.600 -0.029 0.000 1.154 47 E CA 0.227 56.615 56.400 -0.019 0.000 0.723 47 E CB -1.498 28.195 29.700 -0.012 0.000 1.261 47 E HN 0.626 nan 8.360 nan 0.000 0.390 48 S N -0.848 114.827 115.700 -0.042 0.000 2.387 48 S HA -0.272 4.179 4.470 -0.031 0.000 0.230 48 S C 2.154 176.786 174.600 0.054 0.000 1.035 48 S CA 1.115 59.307 58.200 -0.012 0.000 1.014 48 S CB -0.161 63.067 63.200 0.047 0.000 0.836 48 S HN 0.554 nan 8.310 nan 0.000 0.466 49 A N 1.924 124.745 122.820 0.003 0.000 1.940 49 A HA -0.059 4.243 4.320 -0.031 0.000 0.219 49 A C 2.433 180.020 177.584 0.004 0.000 1.176 49 A CA 2.112 54.135 52.037 -0.024 0.000 0.631 49 A CB -1.252 17.712 19.000 -0.059 0.000 0.814 49 A HN 0.856 nan 8.150 nan 0.000 0.446 50 T N -3.990 110.572 114.554 0.013 0.000 3.044 50 T HA 0.506 4.838 4.350 -0.031 0.000 0.260 50 T C 0.008 174.728 174.700 0.034 0.000 1.019 50 T CA -0.399 61.711 62.100 0.016 0.000 0.921 50 T CB -0.033 68.839 68.868 0.007 0.000 1.053 50 T HN -0.016 nan 8.240 nan 0.000 0.533 51 L N 4.206 125.465 121.223 0.059 0.000 2.307 51 L HA 0.509 4.831 4.340 -0.031 0.000 0.282 51 L C 0.278 177.233 176.870 0.142 0.000 1.051 51 L CA -1.001 53.895 54.840 0.092 0.000 0.804 51 L CB 0.973 43.087 42.059 0.091 0.000 1.197 51 L HN 0.409 nan 8.230 nan 0.000 0.431 52 N N 0.942 119.711 118.700 0.115 0.000 2.354 52 N HA 0.018 4.740 4.740 -0.031 0.000 0.246 52 N C 0.858 176.511 175.510 0.239 0.000 1.285 52 N CA 0.145 53.258 53.050 0.105 0.000 0.925 52 N CB 0.119 38.628 38.487 0.036 0.000 1.174 52 N HN 0.577 nan 8.380 nan 0.000 0.478 53 H N -1.556 117.566 119.070 0.086 0.000 2.423 53 H HA -0.080 4.457 4.556 -0.031 0.000 0.297 53 H C 0.432 175.795 175.328 0.058 0.000 1.075 53 H CA 0.885 56.962 56.048 0.049 0.000 1.342 53 H CB 0.289 30.030 29.762 -0.034 0.000 1.395 53 H HN 0.592 nan 8.280 nan 0.000 0.530 54 D N 0.880 121.386 120.400 0.176 0.000 2.084 54 D HA -0.132 4.490 4.640 -0.031 0.000 0.194 54 D C 1.911 178.297 176.300 0.143 0.000 0.990 54 D CA 1.056 55.125 54.000 0.115 0.000 0.826 54 D CB -0.171 40.673 40.800 0.072 0.000 0.971 54 D HN 0.534 nan 8.370 nan 0.000 0.453 55 E N -0.221 120.069 120.200 0.150 0.000 2.085 55 E HA -0.205 4.126 4.350 -0.031 0.000 0.194 55 E C 2.027 178.747 176.600 0.200 0.000 0.994 55 E CA 0.821 57.306 56.400 0.143 0.000 0.801 55 E CB -0.209 29.558 29.700 0.111 0.000 0.743 55 E HN 0.504 nan 8.360 nan 0.000 0.453 56 H N 0.237 119.389 119.070 0.138 0.000 2.267 56 H HA -0.153 4.384 4.556 -0.031 0.000 0.297 56 H C 2.124 177.579 175.328 0.211 0.000 1.080 56 H CA 1.616 57.762 56.048 0.165 0.000 1.278 56 H CB 0.015 29.902 29.762 0.208 0.000 1.365 56 H HN 0.185 nan 8.280 nan 0.000 0.489 57 A N 0.587 123.676 122.820 0.449 0.000 1.908 57 A HA -0.220 4.081 4.320 -0.031 0.000 0.218 57 A C 2.024 179.790 177.584 0.304 0.000 1.181 57 A CA 2.002 54.300 52.037 0.435 0.000 0.627 57 A CB -0.508 18.580 19.000 0.146 0.000 0.818 57 A HN 0.569 nan 8.150 nan 0.000 0.445 58 D N -0.485 120.034 120.400 0.199 0.000 2.144 58 D HA -0.097 4.525 4.640 -0.031 0.000 0.199 58 D C 1.995 178.365 176.300 0.118 0.000 0.984 58 D CA 1.345 55.425 54.000 0.134 0.000 0.834 58 D CB -0.310 40.549 40.800 0.099 0.000 0.955 58 D HN 0.229 nan 8.370 nan 0.000 0.465 59 V N 0.200 120.186 119.914 0.119 0.000 2.379 59 V HA -0.169 3.932 4.120 -0.031 0.000 0.245 59 V C 2.567 178.697 176.094 0.059 0.000 1.044 59 V CA 0.847 63.188 62.300 0.068 0.000 1.036 59 V CB -0.306 31.538 31.823 0.034 0.000 0.664 59 V HN 0.061 nan 8.190 nan 0.000 0.453 60 V N -0.383 119.588 119.914 0.094 0.000 2.287 60 V HA -0.308 3.794 4.120 -0.031 0.000 0.248 60 V C 2.548 178.670 176.094 0.046 0.000 1.053 60 V CA 2.006 64.317 62.300 0.017 0.000 1.027 60 V CB -0.632 31.133 31.823 -0.098 0.000 0.646 60 V HN 0.404 nan 8.190 nan 0.000 0.447 61 M N -1.175 118.500 119.600 0.126 0.000 2.117 61 M HA -0.175 4.287 4.480 -0.031 0.000 0.262 61 M C 2.149 178.486 176.300 0.063 0.000 1.065 61 M CA 1.815 57.180 55.300 0.108 0.000 1.114 61 M CB -1.188 31.490 32.600 0.130 0.000 1.361 61 M HN 0.382 nan 8.290 nan 0.000 0.408 62 M N -0.373 119.262 119.600 0.057 0.000 2.117 62 M HA -0.181 4.281 4.480 -0.031 0.000 0.262 62 M C 1.833 178.148 176.300 0.026 0.000 1.065 62 M CA 1.609 56.933 55.300 0.039 0.000 1.114 62 M CB -0.188 32.435 32.600 0.039 0.000 1.361 62 M HN 0.218 nan 8.290 nan 0.000 0.408 63 T N 1.408 115.973 114.554 0.018 0.000 2.746 63 T HA -0.149 4.182 4.350 -0.031 0.000 0.267 63 T C 1.630 176.330 174.700 0.001 0.000 1.039 63 T CA 1.243 63.347 62.100 0.005 0.000 1.142 63 T CB -0.307 68.553 68.868 -0.013 0.000 0.866 63 T HN 0.244 nan 8.240 nan 0.000 0.444 64 L N 1.681 122.906 121.223 0.002 0.000 2.017 64 L HA -0.065 4.257 4.340 -0.031 0.000 0.208 64 L C 2.201 179.076 176.870 0.009 0.000 1.073 64 L CA 1.860 56.701 54.840 0.002 0.000 0.745 64 L CB -1.105 40.961 42.059 0.013 0.000 0.894 64 L HN 0.244 nan 8.230 nan 0.000 0.432 65 D N -1.135 119.276 120.400 0.018 0.000 2.104 65 D HA -0.227 4.395 4.640 -0.031 0.000 0.194 65 D C 2.261 178.569 176.300 0.013 0.000 0.994 65 D CA 1.511 55.522 54.000 0.018 0.000 0.830 65 D CB -0.096 40.718 40.800 0.023 0.000 0.959 65 D HN 0.367 nan 8.370 nan 0.000 0.452 66 L N -0.101 121.130 121.223 0.014 0.000 2.156 66 L HA -0.007 4.315 4.340 -0.031 0.000 0.208 66 L C 2.569 179.447 176.870 0.013 0.000 1.095 66 L CA 0.887 55.736 54.840 0.015 0.000 0.770 66 L CB -0.428 41.642 42.059 0.019 0.000 0.914 66 L HN 0.103 nan 8.230 nan 0.000 0.439 67 A N -0.748 122.078 122.820 0.009 0.000 1.972 67 A HA -0.260 4.041 4.320 -0.031 0.000 0.219 67 A C 1.182 178.766 177.584 -0.001 0.000 1.169 67 A CA 1.367 53.406 52.037 0.003 0.000 0.635 67 A CB -0.397 18.598 19.000 -0.008 0.000 0.810 67 A HN 0.536 nan 8.150 nan 0.000 0.446 68 D N -3.013 117.387 120.400 0.000 0.000 2.708 68 D HA -0.133 4.489 4.640 -0.031 0.000 0.236 68 D C 0.935 177.232 176.300 -0.006 0.000 1.146 68 D CA 1.866 55.866 54.000 -0.000 0.000 0.662 68 D CB -1.611 39.190 40.800 0.002 0.000 1.059 68 D HN 1.458 nan 8.370 nan 0.000 0.428 69 G N -0.367 108.427 108.800 -0.011 0.000 2.189 69 G HA2 -0.445 3.497 3.960 -0.031 0.000 0.267 69 G HA3 -0.445 3.497 3.960 -0.031 0.000 0.267 69 G C 1.187 176.073 174.900 -0.023 0.000 0.975 69 G CA 0.776 45.865 45.100 -0.017 0.000 0.644 69 G HN 0.591 nan 8.290 nan 0.000 0.537 70 R N -0.647 119.841 120.500 -0.020 0.000 2.240 70 R HA 0.515 4.837 4.340 -0.031 0.000 0.203 70 R C 1.013 177.294 176.300 -0.031 0.000 1.011 70 R CA 1.083 57.170 56.100 -0.022 0.000 1.007 70 R CB 0.589 30.881 30.300 -0.014 0.000 0.911 70 R HN 0.578 nan 8.270 nan 0.000 0.468 71 I N 0.723 121.271 120.570 -0.037 0.000 2.710 71 I HA 0.305 4.457 4.170 -0.031 0.000 0.290 71 I C -2.836 173.240 176.117 -0.067 0.000 1.318 71 I CA -2.793 58.477 61.300 -0.052 0.000 1.045 71 I CB 2.509 40.487 38.000 -0.036 0.000 1.307 71 I HN -0.180 nan 8.210 nan 0.000 0.424 72 P HA 0.274 nan 4.420 nan 0.000 0.271 72 P C -1.353 175.886 177.300 -0.102 0.000 1.218 72 P CA -0.250 62.781 63.100 -0.116 0.000 0.780 72 P CB 0.954 32.539 31.700 -0.191 0.000 0.901 73 V N 4.167 124.032 119.914 -0.082 0.000 2.531 73 V HA 0.382 4.483 4.120 -0.031 0.000 0.301 73 V C 0.087 176.145 176.094 -0.059 0.000 1.034 73 V CA -0.461 61.795 62.300 -0.074 0.000 0.865 73 V CB 1.565 33.347 31.823 -0.068 0.000 0.995 73 V HN 0.396 nan 8.190 nan 0.000 0.424 74 I N 3.962 124.502 120.570 -0.051 0.000 2.354 74 I HA 0.661 4.812 4.170 -0.031 0.000 0.292 74 I C 0.577 176.639 176.117 -0.093 0.000 0.989 74 I CA -0.389 60.900 61.300 -0.018 0.000 1.188 74 I CB 1.785 39.810 38.000 0.042 0.000 1.342 74 I HN 0.690 nan 8.210 nan 0.000 0.457 75 A N 4.848 127.574 122.820 -0.157 0.000 2.328 75 A HA 0.629 4.931 4.320 -0.031 0.000 0.284 75 A C 0.522 178.059 177.584 -0.078 0.000 1.160 75 A CA -0.401 51.479 52.037 -0.262 0.000 0.818 75 A CB 0.392 18.977 19.000 -0.691 0.000 1.087 75 A HN 0.847 nan 8.150 nan 0.000 0.504 76 G N 0.998 109.807 108.800 0.015 0.000 2.343 76 G HA2 0.402 4.344 3.960 -0.031 0.000 0.254 76 G HA3 0.402 4.344 3.960 -0.031 0.000 0.254 76 G C 0.665 175.732 174.900 0.278 0.000 1.277 76 G CA 0.572 45.766 45.100 0.157 0.000 0.909 76 G HN 1.241 nan 8.290 nan 0.000 0.502 77 T N -0.299 114.394 114.554 0.233 0.000 3.209 77 T HA 0.353 4.685 4.350 -0.031 0.000 0.295 77 T C 1.060 175.882 174.700 0.203 0.000 0.977 77 T CA 0.225 62.443 62.100 0.197 0.000 0.922 77 T CB 0.421 69.396 68.868 0.177 0.000 1.152 77 T HN 0.745 nan 8.240 nan 0.000 0.527 78 G N 0.952 109.924 108.800 0.286 0.000 2.432 78 G HA2 0.536 4.478 3.960 -0.031 0.000 0.239 78 G HA3 0.536 4.478 3.960 -0.031 0.000 0.239 78 G C -0.242 174.868 174.900 0.352 0.000 1.291 78 G CA 0.019 45.324 45.100 0.340 0.000 0.863 78 G HN 0.934 nan 8.290 nan 0.000 0.560 79 A N 1.927 124.952 122.820 0.342 0.000 2.589 79 A HA 0.566 4.867 4.320 -0.031 0.000 0.296 79 A C 0.547 178.145 177.584 0.023 0.000 1.062 79 A CA -0.465 51.753 52.037 0.301 0.000 0.686 79 A CB 1.261 20.409 19.000 0.246 0.000 1.282 79 A HN 0.765 nan 8.150 nan 0.000 0.404 80 N N 0.745 119.228 118.700 -0.361 0.000 2.412 80 N HA 0.224 4.945 4.740 -0.031 0.000 0.184 80 N C 0.335 175.658 175.510 -0.312 0.000 1.101 80 N CA 0.850 53.498 53.050 -0.670 0.000 0.881 80 N CB 0.265 37.984 38.487 -1.280 0.000 0.969 80 N HN 0.920 nan 8.380 nan 0.000 0.459 81 A N -0.141 122.616 122.820 -0.105 0.000 2.304 81 A HA 0.537 4.839 4.320 -0.031 0.000 0.323 81 A C 0.940 178.571 177.584 0.078 0.000 1.195 81 A CA -0.564 51.459 52.037 -0.023 0.000 0.826 81 A CB 0.785 19.774 19.000 -0.019 0.000 1.184 81 A HN 0.140 nan 8.150 nan 0.000 0.496 82 T N 2.170 116.785 114.554 0.102 0.000 2.746 82 T HA -0.140 4.192 4.350 -0.031 0.000 0.267 82 T C 2.248 176.890 174.700 -0.097 0.000 1.039 82 T CA 2.126 64.243 62.100 0.030 0.000 1.142 82 T CB -0.209 68.674 68.868 0.025 0.000 0.866 82 T HN 0.894 nan 8.240 nan 0.000 0.444 83 A N 1.756 124.535 122.820 -0.067 0.000 1.908 83 A HA -0.144 4.157 4.320 -0.031 0.000 0.218 83 A C 2.317 179.864 177.584 -0.061 0.000 1.181 83 A CA 1.322 53.306 52.037 -0.089 0.000 0.627 83 A CB -0.373 18.593 19.000 -0.056 0.000 0.818 83 A HN 0.321 nan 8.150 nan 0.000 0.445 84 E N -0.096 120.103 120.200 -0.001 0.000 2.150 84 E HA -0.084 4.247 4.350 -0.031 0.000 0.193 84 E C 2.301 178.926 176.600 0.041 0.000 0.985 84 E CA 1.154 57.596 56.400 0.069 0.000 0.814 84 E CB -0.586 29.201 29.700 0.145 0.000 0.752 84 E HN 0.590 nan 8.360 nan 0.000 0.466 85 A N 1.101 123.925 122.820 0.007 0.000 1.898 85 A HA -0.113 4.189 4.320 -0.031 0.000 0.216 85 A C 2.329 179.856 177.584 -0.095 0.000 1.181 85 A CA 0.923 52.944 52.037 -0.026 0.000 0.620 85 A CB -0.575 18.388 19.000 -0.061 0.000 0.819 85 A HN 0.156 nan 8.150 nan 0.000 0.442 86 I N -0.533 119.943 120.570 -0.157 0.000 2.179 86 I HA -0.230 3.921 4.170 -0.031 0.000 0.242 86 I C 2.895 178.930 176.117 -0.137 0.000 1.088 86 I CA 1.569 62.752 61.300 -0.193 0.000 1.357 86 I CB -0.223 37.545 38.000 -0.386 0.000 1.051 86 I HN 0.449 nan 8.210 nan 0.000 0.409 87 S N 1.009 116.637 115.700 -0.120 0.000 2.356 87 S HA -0.206 4.246 4.470 -0.031 0.000 0.223 87 S C 2.072 176.568 174.600 -0.173 0.000 1.032 87 S CA 1.378 59.514 58.200 -0.106 0.000 1.005 87 S CB -0.382 62.788 63.200 -0.050 0.000 0.867 87 S HN 0.320 nan 8.310 nan 0.000 0.449 88 L N 1.741 122.831 121.223 -0.221 0.000 2.017 88 L HA -0.021 4.300 4.340 -0.031 0.000 0.208 88 L C 2.489 179.186 176.870 -0.288 0.000 1.073 88 L CA 2.474 57.086 54.840 -0.381 0.000 0.745 88 L CB -1.520 40.230 42.059 -0.514 0.000 0.894 88 L HN 0.325 nan 8.230 nan 0.000 0.432 89 T N -0.820 113.675 114.554 -0.099 0.000 2.746 89 T HA -0.235 4.097 4.350 -0.031 0.000 0.267 89 T C 1.823 176.500 174.700 -0.037 0.000 1.039 89 T CA 1.701 63.824 62.100 0.039 0.000 1.142 89 T CB -0.207 68.686 68.868 0.042 0.000 0.866 89 T HN 0.463 nan 8.240 nan 0.000 0.444 90 Q N 0.438 120.177 119.800 -0.103 0.000 2.181 90 Q HA -0.070 4.252 4.340 -0.031 0.000 0.205 90 Q C 2.527 178.415 176.000 -0.188 0.000 0.980 90 Q CA 1.043 56.789 55.803 -0.095 0.000 0.862 90 Q CB -0.170 28.526 28.738 -0.070 0.000 0.905 90 Q HN 0.473 nan 8.270 nan 0.000 0.429 91 R N -0.490 119.769 120.500 -0.402 0.000 2.170 91 R HA -0.155 4.167 4.340 -0.031 0.000 0.242 91 R C 1.133 177.109 176.300 -0.540 0.000 1.145 91 R CA 1.182 56.924 56.100 -0.596 0.000 0.984 91 R CB -0.076 29.606 30.300 -1.030 0.000 0.869 91 R HN 0.240 nan 8.270 nan 0.000 0.455 92 F N 0.024 119.965 119.950 -0.015 0.000 2.695 92 F HA 0.189 4.698 4.527 -0.030 0.000 0.303 92 F C 0.328 176.133 175.800 0.009 0.000 1.091 92 F CA -0.981 57.020 58.000 0.002 0.000 1.300 92 F CB -0.286 38.717 39.000 0.006 0.000 1.071 92 F HN -0.229 nan 8.300 nan 0.000 0.578 93 N N 1.304 120.066 118.700 0.104 0.000 2.412 93 N HA 0.151 4.872 4.740 -0.031 0.000 0.254 93 N C 0.711 176.260 175.510 0.066 0.000 1.232 93 N CA 1.215 54.310 53.050 0.076 0.000 0.880 93 N CB -0.276 38.234 38.487 0.038 0.000 1.076 93 N HN 0.430 nan 8.380 nan 0.000 0.458 94 D N -0.643 119.795 120.400 0.063 0.000 2.686 94 D HA -0.207 4.415 4.640 -0.031 0.000 0.235 94 D C 0.947 177.284 176.300 0.063 0.000 1.160 94 D CA 1.337 55.368 54.000 0.052 0.000 0.645 94 D CB -1.918 38.903 40.800 0.034 0.000 1.039 94 D HN 0.550 nan 8.370 nan 0.000 0.423 95 S N -2.879 112.876 115.700 0.091 0.000 2.497 95 S HA 0.501 4.952 4.470 -0.031 0.000 0.221 95 S C 2.360 177.005 174.600 0.075 0.000 1.037 95 S CA 1.230 59.493 58.200 0.106 0.000 0.920 95 S CB 0.937 64.254 63.200 0.195 0.000 0.800 95 S HN 2.287 nan 8.310 nan 0.000 0.505 96 G N 1.998 110.834 108.800 0.060 0.000 2.253 96 G HA2 -0.189 3.753 3.960 -0.031 0.000 0.209 96 G HA3 -0.189 3.753 3.960 -0.031 0.000 0.209 96 G C 0.161 175.075 174.900 0.023 0.000 0.997 96 G CA -0.256 44.865 45.100 0.036 0.000 0.640 96 G HN 1.012 nan 8.290 nan 0.000 0.496 97 I N 0.590 121.178 120.570 0.029 0.000 2.836 97 I HA 0.490 4.642 4.170 -0.031 0.000 0.285 97 I C 1.805 177.941 176.117 0.032 0.000 1.174 97 I CA -0.116 61.185 61.300 0.001 0.000 1.405 97 I CB 1.212 39.182 38.000 -0.050 0.000 1.385 97 I HN 0.376 nan 8.210 nan 0.000 0.594 98 V N 1.946 121.881 119.914 0.034 0.000 3.608 98 V HA 0.618 4.719 4.120 -0.031 0.000 0.269 98 V C 0.795 177.034 176.094 0.242 0.000 1.245 98 V CA 0.729 63.081 62.300 0.086 0.000 1.138 98 V CB -1.123 30.687 31.823 -0.022 0.000 0.841 98 V HN 1.215 nan 8.190 nan 0.000 0.451 99 G N -1.719 107.193 108.800 0.187 0.000 2.349 99 G HA2 0.452 4.394 3.960 -0.031 0.000 0.294 99 G HA3 0.452 4.394 3.960 -0.031 0.000 0.294 99 G C -1.623 173.313 174.900 0.060 0.000 1.380 99 G CA 0.036 45.225 45.100 0.148 0.000 0.811 99 G HN 0.285 nan 8.290 nan 0.000 0.519 100 C N -0.505 118.801 119.300 0.009 0.000 2.507 100 C HA 0.775 5.216 4.460 -0.031 0.000 0.319 100 C C -0.326 174.662 174.990 -0.003 0.000 1.208 100 C CA -0.639 58.389 59.018 0.016 0.000 1.619 100 C CB 0.913 28.686 27.740 0.056 0.000 2.230 100 C HN 0.810 nan 8.230 nan 0.000 0.492 101 L N 2.638 123.880 121.223 0.032 0.000 2.294 101 L HA 0.621 4.943 4.340 -0.031 0.000 0.283 101 L C 0.067 177.045 176.870 0.180 0.000 1.015 101 L CA 0.562 55.432 54.840 0.050 0.000 0.831 101 L CB 1.076 43.133 42.059 -0.003 0.000 1.217 101 L HN 0.809 nan 8.230 nan 0.000 0.420 102 T N 4.754 119.441 114.554 0.221 0.000 2.815 102 T HA 0.441 4.772 4.350 -0.031 0.000 0.289 102 T C -0.821 174.181 174.700 0.503 0.000 1.000 102 T CA -0.353 61.964 62.100 0.361 0.000 0.958 102 T CB 0.850 69.937 68.868 0.364 0.000 0.944 102 T HN 0.441 nan 8.240 nan 0.000 0.442 103 V N 6.211 126.410 119.914 0.475 0.000 2.834 103 V HA 0.541 4.643 4.120 -0.031 0.000 0.301 103 V C 0.961 177.326 176.094 0.452 0.000 1.066 103 V CA -0.183 62.324 62.300 0.344 0.000 1.052 103 V CB 1.350 33.191 31.823 0.031 0.000 1.021 103 V HN 1.130 nan 8.190 nan 0.000 0.480 104 T N 5.303 120.098 114.554 0.400 0.000 2.933 104 T HA 0.133 4.465 4.350 -0.031 0.000 0.306 104 T C -2.504 172.183 174.700 -0.022 0.000 1.045 104 T CA -0.783 61.450 62.100 0.222 0.000 1.143 104 T CB 0.270 69.233 68.868 0.157 0.000 1.003 104 T HN 0.622 nan 8.240 nan 0.000 0.540 105 P HA 0.074 nan 4.420 nan 0.000 0.261 105 P C -0.621 176.523 177.300 -0.260 0.000 1.173 105 P CA 0.112 62.926 63.100 -0.477 0.000 0.760 105 P CB -0.136 31.181 31.700 -0.638 0.000 0.783 106 Y N 1.956 122.236 120.300 -0.033 0.000 2.403 106 Y HA 0.422 4.954 4.550 -0.031 0.000 0.323 106 Y C 1.434 177.404 175.900 0.116 0.000 1.226 106 Y CA -1.183 56.932 58.100 0.025 0.000 1.235 106 Y CB 0.251 38.734 38.460 0.039 0.000 1.248 106 Y HN 0.534 nan 8.280 nan 0.000 0.489 107 Y N 0.978 121.339 120.300 0.101 0.000 2.760 107 Y HA -0.469 4.063 4.550 -0.031 0.000 0.484 107 Y C 1.420 177.306 175.900 -0.024 0.000 1.172 107 Y CA 2.487 60.616 58.100 0.048 0.000 2.808 107 Y CB -1.361 37.158 38.460 0.098 0.000 0.948 107 Y HN 0.831 nan 8.280 nan 0.000 0.551 108 N N 1.579 120.296 118.700 0.029 0.000 2.398 108 N HA 0.039 4.760 4.740 -0.031 0.000 0.188 108 N C -0.204 175.250 175.510 -0.092 0.000 1.122 108 N CA 1.045 54.073 53.050 -0.036 0.000 0.866 108 N CB -0.295 38.183 38.487 -0.015 0.000 0.970 108 N HN 0.544 nan 8.380 nan 0.000 0.462 109 R N 0.163 120.604 120.500 -0.098 0.000 3.188 109 R HA -0.097 4.225 4.340 -0.031 0.000 0.247 109 R C -1.993 174.263 176.300 -0.073 0.000 0.918 109 R CA 0.449 56.499 56.100 -0.083 0.000 0.629 109 R CB -2.132 28.114 30.300 -0.090 0.000 1.087 109 R HN 0.472 nan 8.270 nan 0.000 0.462 110 P HA 0.026 nan 4.420 nan 0.000 0.271 110 P C 0.419 177.697 177.300 -0.037 0.000 1.233 110 P CA -0.188 62.867 63.100 -0.074 0.000 0.789 110 P CB 0.533 32.161 31.700 -0.120 0.000 0.951 111 S N 0.716 116.405 115.700 -0.018 0.000 2.606 111 S HA 0.018 4.470 4.470 -0.031 0.000 0.257 111 S C 1.339 175.956 174.600 0.029 0.000 1.327 111 S CA -0.459 57.744 58.200 0.004 0.000 0.984 111 S CB 0.238 63.443 63.200 0.008 0.000 0.941 111 S HN 0.394 nan 8.310 nan 0.000 0.576 112 Q N 0.399 120.225 119.800 0.043 0.000 2.124 112 Q HA -0.144 4.177 4.340 -0.031 0.000 0.202 112 Q C 2.027 178.095 176.000 0.113 0.000 0.977 112 Q CA 1.881 57.731 55.803 0.077 0.000 0.850 112 Q CB -0.690 28.083 28.738 0.057 0.000 0.901 112 Q HN 0.926 nan 8.270 nan 0.000 0.429 113 E N 0.308 120.558 120.200 0.083 0.000 2.077 113 E HA -0.116 4.216 4.350 -0.031 0.000 0.193 113 E C 1.980 178.667 176.600 0.145 0.000 0.989 113 E CA 1.551 58.020 56.400 0.115 0.000 0.800 113 E CB -0.728 29.010 29.700 0.063 0.000 0.746 113 E HN 0.369 nan 8.360 nan 0.000 0.452 114 G N 0.764 109.608 108.800 0.075 0.000 2.440 114 G HA2 -0.243 3.699 3.960 -0.031 0.000 0.218 114 G HA3 -0.243 3.699 3.960 -0.031 0.000 0.218 114 G C 1.632 176.547 174.900 0.024 0.000 1.154 114 G CA 1.003 46.122 45.100 0.033 0.000 0.767 114 G HN 0.302 nan 8.290 nan 0.000 0.552 115 L N -1.018 120.232 121.223 0.045 0.000 2.012 115 L HA -0.120 4.202 4.340 -0.031 0.000 0.210 115 L C 2.579 179.570 176.870 0.201 0.000 1.073 115 L CA 1.574 56.453 54.840 0.064 0.000 0.748 115 L CB -0.622 41.548 42.059 0.186 0.000 0.891 115 L HN 0.299 nan 8.230 nan 0.000 0.431 116 Y N 0.938 121.328 120.300 0.151 0.000 2.081 116 Y HA -0.331 4.201 4.550 -0.031 0.000 0.280 116 Y C 2.838 178.818 175.900 0.133 0.000 1.163 116 Y CA 1.775 59.973 58.100 0.163 0.000 1.135 116 Y CB -0.223 38.298 38.460 0.101 0.000 0.970 116 Y HN 0.180 nan 8.280 nan 0.000 0.498 117 Q N -0.943 118.890 119.800 0.055 0.000 2.124 117 Q HA -0.231 4.090 4.340 -0.031 0.000 0.202 117 Q C 2.174 178.133 176.000 -0.069 0.000 0.977 117 Q CA 1.966 57.748 55.803 -0.035 0.000 0.850 117 Q CB -0.822 27.954 28.738 0.064 0.000 0.901 117 Q HN 0.709 nan 8.270 nan 0.000 0.429 118 H N 0.030 118.992 119.070 -0.180 0.000 2.270 118 H HA -0.131 4.407 4.556 -0.031 0.000 0.299 118 H C 1.586 176.757 175.328 -0.262 0.000 1.077 118 H CA 1.897 57.770 56.048 -0.292 0.000 1.294 118 H CB -0.224 29.239 29.762 -0.498 0.000 1.371 118 H HN 0.104 nan 8.280 nan 0.000 0.491 119 F N 0.839 120.775 119.950 -0.024 0.000 2.186 119 F HA -0.018 4.491 4.527 -0.030 0.000 0.299 119 F C 2.628 178.338 175.800 -0.150 0.000 1.090 119 F CA 1.394 59.342 58.000 -0.085 0.000 1.307 119 F CB -0.484 38.528 39.000 0.019 0.000 1.019 119 F HN 0.194 nan 8.300 nan 0.000 0.489 120 K N 0.531 120.886 120.400 -0.076 0.000 2.026 120 K HA -0.136 4.166 4.320 -0.031 0.000 0.208 120 K C 2.285 178.844 176.600 -0.068 0.000 1.048 120 K CA 1.289 57.478 56.287 -0.162 0.000 0.929 120 K CB -0.310 31.931 32.500 -0.432 0.000 0.713 120 K HN 0.153 nan 8.250 nan 0.000 0.439 121 A N 1.245 124.021 122.820 -0.074 0.000 1.902 121 A HA -0.126 4.175 4.320 -0.031 0.000 0.217 121 A C 2.082 179.708 177.584 0.071 0.000 1.181 121 A CA 1.483 53.528 52.037 0.013 0.000 0.623 121 A CB -0.573 18.402 19.000 -0.041 0.000 0.818 121 A HN 0.361 nan 8.150 nan 0.000 0.443 122 I N -0.199 120.331 120.570 -0.066 0.000 2.142 122 I HA -0.304 3.847 4.170 -0.031 0.000 0.240 122 I C 2.998 179.152 176.117 0.060 0.000 1.078 122 I CA 1.222 62.491 61.300 -0.051 0.000 1.343 122 I CB -0.415 37.523 38.000 -0.104 0.000 1.046 122 I HN 0.345 nan 8.210 nan 0.000 0.405 123 A N 0.227 123.081 122.820 0.055 0.000 1.940 123 A HA -0.253 4.049 4.320 -0.031 0.000 0.219 123 A C 2.173 179.784 177.584 0.046 0.000 1.176 123 A CA 1.857 53.923 52.037 0.049 0.000 0.631 123 A CB -0.668 18.353 19.000 0.035 0.000 0.814 123 A HN 0.500 nan 8.150 nan 0.000 0.446 124 E N -1.335 118.899 120.200 0.057 0.000 2.268 124 E HA -0.154 4.177 4.350 -0.031 0.000 0.195 124 E C 0.754 177.314 176.600 -0.066 0.000 0.995 124 E CA 0.925 57.326 56.400 0.002 0.000 0.836 124 E CB -0.126 29.566 29.700 -0.014 0.000 0.763 124 E HN 0.824 nan 8.360 nan 0.000 0.491 125 H N -1.017 118.038 119.070 -0.025 0.000 2.519 125 H HA 0.211 4.749 4.556 -0.031 0.000 0.289 125 H C -0.369 174.951 175.328 -0.012 0.000 1.040 125 H CA 0.369 56.403 56.048 -0.022 0.000 1.165 125 H CB 0.729 30.471 29.762 -0.033 0.000 1.462 125 H HN -0.116 nan 8.280 nan 0.000 0.555 126 T N -1.435 113.161 114.554 0.070 0.000 2.840 126 T HA 0.118 4.449 4.350 -0.031 0.000 0.317 126 T C -0.356 174.363 174.700 0.032 0.000 1.401 126 T CA -0.735 61.398 62.100 0.054 0.000 1.028 126 T CB 1.336 70.245 68.868 0.068 0.000 1.317 126 T HN 0.026 nan 8.240 nan 0.000 0.495 127 D N 1.666 122.085 120.400 0.031 0.000 2.349 127 D HA 0.226 4.847 4.640 -0.031 0.000 0.214 127 D C 0.627 176.947 176.300 0.033 0.000 1.063 127 D CA 0.186 54.201 54.000 0.026 0.000 0.847 127 D CB 0.265 41.080 40.800 0.024 0.000 0.933 127 D HN 0.419 nan 8.370 nan 0.000 0.513 128 L N 2.127 123.376 121.223 0.043 0.000 2.426 128 L HA 0.179 4.501 4.340 -0.031 0.000 0.271 128 L C -2.064 174.814 176.870 0.014 0.000 1.169 128 L CA -1.565 53.303 54.840 0.046 0.000 0.836 128 L CB 0.155 42.255 42.059 0.068 0.000 1.112 128 L HN -0.297 nan 8.230 nan 0.000 0.465 129 P HA 0.000 nan 4.420 nan 0.000 0.265 129 P C -1.183 176.027 177.300 -0.150 0.000 1.193 129 P CA -0.050 62.987 63.100 -0.104 0.000 0.765 129 P CB 0.447 32.050 31.700 -0.162 0.000 0.823 130 Q N 2.609 122.303 119.800 -0.178 0.000 2.322 130 Q HA 0.461 4.782 4.340 -0.031 0.000 0.265 130 Q C -0.261 175.582 176.000 -0.262 0.000 0.985 130 Q CA -0.422 55.289 55.803 -0.154 0.000 0.849 130 Q CB 1.789 30.484 28.738 -0.072 0.000 1.274 130 Q HN 0.463 nan 8.270 nan 0.000 0.449 131 I N 3.671 124.092 120.570 -0.248 0.000 2.328 131 I HA 0.246 4.398 4.170 -0.031 0.000 0.287 131 I C 0.270 176.288 176.117 -0.164 0.000 1.012 131 I CA -0.565 60.576 61.300 -0.265 0.000 1.195 131 I CB 0.771 38.611 38.000 -0.266 0.000 1.350 131 I HN 0.313 nan 8.210 nan 0.000 0.464 132 L N 5.981 127.078 121.223 -0.209 0.000 2.483 132 L HA 0.114 4.436 4.340 -0.031 0.000 0.275 132 L C -0.637 176.240 176.870 0.012 0.000 1.220 132 L CA 0.140 54.829 54.840 -0.252 0.000 0.833 132 L CB 0.055 41.910 42.059 -0.340 0.000 1.102 132 L HN 0.479 nan 8.230 nan 0.000 0.490 133 Y N 2.497 122.763 120.300 -0.057 0.000 2.332 133 Y HA 0.371 4.903 4.550 -0.030 0.000 0.325 133 Y C -1.058 174.903 175.900 0.101 0.000 1.054 133 Y CA -1.907 56.217 58.100 0.040 0.000 1.119 133 Y CB 1.441 39.945 38.460 0.073 0.000 1.168 133 Y HN 0.560 nan 8.280 nan 0.000 0.439 134 N N 4.249 123.137 118.700 0.314 0.000 2.446 134 N HA 0.526 5.248 4.740 -0.031 0.000 0.265 134 N C -1.855 173.722 175.510 0.112 0.000 0.975 134 N CA -0.214 52.926 53.050 0.151 0.000 0.928 134 N CB 1.576 40.152 38.487 0.149 0.000 1.160 134 N HN 0.420 nan 8.380 nan 0.000 0.495 135 V N 6.955 126.858 119.914 -0.018 0.000 2.666 135 V HA 0.381 4.483 4.120 -0.031 0.000 0.261 135 V C -2.046 174.037 176.094 -0.017 0.000 0.892 135 V CA -1.430 60.858 62.300 -0.020 0.000 0.937 135 V CB 1.413 33.172 31.823 -0.106 0.000 1.063 135 V HN 0.592 nan 8.190 nan 0.000 0.494 136 P HA -0.156 nan 4.420 nan 0.000 0.217 136 P C 1.866 179.172 177.300 0.011 0.000 1.148 136 P CA 2.170 65.279 63.100 0.016 0.000 0.828 136 P CB 0.161 31.874 31.700 0.022 0.000 0.783 137 S N -0.972 114.733 115.700 0.008 0.000 2.442 137 S HA -0.115 4.337 4.470 -0.031 0.000 0.236 137 S C 1.874 176.482 174.600 0.014 0.000 1.007 137 S CA 0.881 59.086 58.200 0.008 0.000 0.965 137 S CB -0.720 62.481 63.200 0.001 0.000 0.773 137 S HN 0.179 nan 8.310 nan 0.000 0.504 138 R N 0.511 121.016 120.500 0.008 0.000 2.206 138 R HA 0.113 4.434 4.340 -0.031 0.000 0.198 138 R C 2.324 178.645 176.300 0.036 0.000 0.986 138 R CA 1.278 57.384 56.100 0.010 0.000 1.029 138 R CB -0.153 30.135 30.300 -0.020 0.000 0.966 138 R HN 0.719 nan 8.270 nan 0.000 0.487 139 T N -3.922 110.658 114.554 0.044 0.000 3.023 139 T HA 0.181 4.513 4.350 -0.031 0.000 0.249 139 T C 1.454 176.198 174.700 0.074 0.000 1.050 139 T CA 0.596 62.758 62.100 0.103 0.000 1.088 139 T CB 0.835 69.752 68.868 0.083 0.000 0.946 139 T HN 0.288 nan 8.240 nan 0.000 0.480 140 G N 0.637 109.455 108.800 0.031 0.000 2.143 140 G HA2 -0.236 3.706 3.960 -0.031 0.000 0.248 140 G HA3 -0.236 3.706 3.960 -0.031 0.000 0.248 140 G C 0.166 175.063 174.900 -0.006 0.000 0.991 140 G CA 0.018 45.118 45.100 0.000 0.000 0.689 140 G HN 1.028 nan 8.290 nan 0.000 0.522 141 C N 0.183 119.489 119.300 0.010 0.000 2.609 141 C HA 0.739 5.180 4.460 -0.031 0.000 0.313 141 C C -1.336 173.672 174.990 0.030 0.000 1.175 141 C CA -0.648 58.376 59.018 0.011 0.000 1.434 141 C CB 2.030 29.772 27.740 0.003 0.000 2.005 141 C HN 0.424 nan 8.230 nan 0.000 0.471 142 D N 4.224 124.647 120.400 0.037 0.000 2.469 142 D HA 0.326 4.948 4.640 -0.031 0.000 0.251 142 D C -0.869 175.473 176.300 0.071 0.000 1.173 142 D CA -0.268 53.763 54.000 0.051 0.000 0.882 142 D CB 1.384 42.206 40.800 0.038 0.000 1.129 142 D HN 0.569 nan 8.370 nan 0.000 0.549 143 L N 5.268 126.552 121.223 0.101 0.000 2.407 143 L HA 0.320 4.641 4.340 -0.031 0.000 0.282 143 L C -0.850 176.079 176.870 0.097 0.000 1.110 143 L CA 0.060 54.977 54.840 0.127 0.000 0.863 143 L CB -0.082 42.082 42.059 0.174 0.000 1.207 143 L HN 0.372 nan 8.230 nan 0.000 0.454 144 L N 7.384 128.654 121.223 0.079 0.000 2.439 144 L HA 0.325 4.647 4.340 -0.031 0.000 0.261 144 L C -1.137 175.761 176.870 0.048 0.000 1.153 144 L CA -1.655 53.218 54.840 0.055 0.000 0.808 144 L CB 0.227 42.309 42.059 0.038 0.000 1.126 144 L HN 0.435 nan 8.230 nan 0.000 0.460 145 P HA -0.226 nan 4.420 nan 0.000 0.216 145 P C 1.523 178.818 177.300 -0.008 0.000 1.154 145 P CA 1.052 64.158 63.100 0.010 0.000 0.865 145 P CB 0.221 31.920 31.700 -0.001 0.000 0.789 146 E N -0.979 119.219 120.200 -0.004 0.000 2.077 146 E HA -0.182 4.150 4.350 -0.031 0.000 0.193 146 E C 1.862 178.459 176.600 -0.005 0.000 0.989 146 E CA 2.093 58.484 56.400 -0.015 0.000 0.800 146 E CB -1.708 27.984 29.700 -0.014 0.000 0.746 146 E HN 0.355 nan 8.360 nan 0.000 0.452 147 T N 0.195 114.767 114.554 0.029 0.000 2.821 147 T HA -0.079 4.252 4.350 -0.031 0.000 0.267 147 T C 2.007 176.762 174.700 0.091 0.000 1.046 147 T CA 1.249 63.396 62.100 0.078 0.000 1.139 147 T CB -0.350 68.592 68.868 0.124 0.000 0.871 147 T HN 0.256 nan 8.240 nan 0.000 0.454 148 V N 1.776 121.718 119.914 0.047 0.000 2.332 148 V HA -0.153 3.949 4.120 -0.031 0.000 0.248 148 V C 2.905 178.937 176.094 -0.102 0.000 1.055 148 V CA 2.039 64.340 62.300 0.001 0.000 1.038 148 V CB -1.454 30.369 31.823 -0.000 0.000 0.651 148 V HN 0.596 nan 8.190 nan 0.000 0.450 149 G N -0.592 108.141 108.800 -0.111 0.000 2.440 149 G HA2 -0.248 3.693 3.960 -0.031 0.000 0.218 149 G HA3 -0.248 3.693 3.960 -0.031 0.000 0.218 149 G C 1.749 176.608 174.900 -0.068 0.000 1.154 149 G CA 0.585 45.601 45.100 -0.140 0.000 0.767 149 G HN 0.325 nan 8.290 nan 0.000 0.552 150 R N -0.283 120.215 120.500 -0.003 0.000 2.083 150 R HA 0.021 4.343 4.340 -0.031 0.000 0.237 150 R C 2.652 179.070 176.300 0.196 0.000 1.137 150 R CA 1.095 57.232 56.100 0.063 0.000 0.951 150 R CB -0.586 29.738 30.300 0.040 0.000 0.851 150 R HN 0.392 nan 8.270 nan 0.000 0.434 151 L N -0.260 121.085 121.223 0.204 0.000 2.179 151 L HA -0.018 4.304 4.340 -0.031 0.000 0.208 151 L C 2.466 179.407 176.870 0.118 0.000 1.096 151 L CA 0.723 55.683 54.840 0.201 0.000 0.779 151 L CB -0.373 41.790 42.059 0.173 0.000 0.922 151 L HN 0.157 nan 8.230 nan 0.000 0.443 152 A N 0.072 122.900 122.820 0.014 0.000 2.125 152 A HA -0.191 4.111 4.320 -0.031 0.000 0.219 152 A C 2.160 179.769 177.584 0.043 0.000 1.156 152 A CA 1.310 53.336 52.037 -0.018 0.000 0.671 152 A CB -0.334 18.352 19.000 -0.522 0.000 0.794 152 A HN 0.357 nan 8.150 nan 0.000 0.459 153 K N -0.327 120.101 120.400 0.047 0.000 2.366 153 K HA 0.081 4.383 4.320 -0.031 0.000 0.198 153 K C -0.007 176.639 176.600 0.076 0.000 1.044 153 K CA 0.177 56.499 56.287 0.058 0.000 0.973 153 K CB -0.082 32.453 32.500 0.058 0.000 0.767 153 K HN 0.304 nan 8.250 nan 0.000 0.475 154 V N 2.203 122.171 119.914 0.090 0.000 2.521 154 V HA -0.095 4.006 4.120 -0.031 0.000 0.286 154 V C 1.542 177.673 176.094 0.062 0.000 1.034 154 V CA 0.189 62.530 62.300 0.070 0.000 1.045 154 V CB 1.267 33.124 31.823 0.056 0.000 0.974 154 V HN 0.129 nan 8.190 nan 0.000 0.480 155 K N 4.558 124.985 120.400 0.044 0.000 2.020 155 K HA -0.175 4.127 4.320 -0.031 0.000 0.212 155 K C 1.557 178.175 176.600 0.029 0.000 1.050 155 K CA 2.189 58.498 56.287 0.037 0.000 0.929 155 K CB -0.525 31.991 32.500 0.026 0.000 0.714 155 K HN 1.026 nan 8.250 nan 0.000 0.443 156 N N 0.234 118.945 118.700 0.017 0.000 2.322 156 N HA 0.051 4.772 4.740 -0.031 0.000 0.194 156 N C 0.211 175.701 175.510 -0.033 0.000 1.126 156 N CA 0.142 53.187 53.050 -0.009 0.000 0.845 156 N CB -0.361 38.123 38.487 -0.005 0.000 0.976 156 N HN 0.424 nan 8.380 nan 0.000 0.475 157 I N 1.716 122.290 120.570 0.006 0.000 2.291 157 I HA 0.125 4.277 4.170 -0.031 0.000 0.292 157 I C 0.477 176.615 176.117 0.036 0.000 1.064 157 I CA -0.557 60.748 61.300 0.008 0.000 1.269 157 I CB 0.586 38.632 38.000 0.077 0.000 1.418 157 I HN -0.000 nan 8.210 nan 0.000 0.485 158 I N 2.285 122.717 120.570 -0.231 0.000 4.240 158 I HA 0.621 4.773 4.170 -0.031 0.000 0.331 158 I C 0.530 176.008 176.117 -1.065 0.000 1.381 158 I CA -0.301 60.745 61.300 -0.423 0.000 1.136 158 I CB 0.429 38.228 38.000 -0.335 0.000 1.137 158 I HN 0.428 nan 8.210 nan 0.000 0.411 159 G N 0.573 108.616 108.800 -1.262 0.000 2.495 159 G HA2 0.641 4.583 3.960 -0.031 0.000 0.294 159 G HA3 0.641 4.583 3.960 -0.031 0.000 0.294 159 G C -2.168 172.350 174.900 -0.636 0.000 1.397 159 G CA -0.572 43.737 45.100 -1.318 0.000 0.790 159 G HN 0.196 nan 8.290 nan 0.000 0.486 160 I N -0.202 120.210 120.570 -0.263 0.000 2.656 160 I HA 0.576 4.728 4.170 -0.031 0.000 0.292 160 I C -0.652 175.465 176.117 0.001 0.000 1.144 160 I CA -0.984 60.309 61.300 -0.011 0.000 1.038 160 I CB 2.079 40.201 38.000 0.203 0.000 1.244 160 I HN 0.452 nan 8.210 nan 0.000 0.420 161 K N 6.474 126.855 120.400 -0.031 0.000 2.284 161 K HA 0.210 4.512 4.320 -0.031 0.000 0.287 161 K C -0.650 175.989 176.600 0.065 0.000 1.081 161 K CA -0.308 55.929 56.287 -0.083 0.000 0.910 161 K CB 0.610 32.920 32.500 -0.316 0.000 1.088 161 K HN 0.436 nan 8.250 nan 0.000 0.478 162 E N 3.574 123.793 120.200 0.032 0.000 2.063 162 E HA 0.212 4.544 4.350 -0.031 0.000 0.265 162 E C -0.661 175.970 176.600 0.052 0.000 0.919 162 E CA -0.161 56.316 56.400 0.128 0.000 0.756 162 E CB 1.548 31.424 29.700 0.295 0.000 1.120 162 E HN 0.716 nan 8.360 nan 0.000 0.414 163 A N 2.959 125.851 122.820 0.121 0.000 2.500 163 A HA 0.039 4.341 4.320 -0.031 0.000 0.267 163 A C 1.555 179.174 177.584 0.059 0.000 1.290 163 A CA 0.297 52.386 52.037 0.086 0.000 0.928 163 A CB -0.214 18.918 19.000 0.221 0.000 1.066 163 A HN 0.520 nan 8.150 nan 0.000 0.516 164 T N -3.837 110.760 114.554 0.073 0.000 2.951 164 T HA 0.224 4.556 4.350 -0.031 0.000 0.268 164 T C 1.691 176.409 174.700 0.030 0.000 1.073 164 T CA 1.273 63.404 62.100 0.051 0.000 1.134 164 T CB -0.388 68.519 68.868 0.066 0.000 0.884 164 T HN 1.589 nan 8.240 nan 0.000 0.479 165 G N 1.656 110.479 108.800 0.038 0.000 2.168 165 G HA2 -0.283 3.658 3.960 -0.031 0.000 0.263 165 G HA3 -0.283 3.658 3.960 -0.031 0.000 0.263 165 G C 0.032 174.962 174.900 0.049 0.000 0.977 165 G CA 0.138 45.255 45.100 0.028 0.000 0.659 165 G HN 0.801 nan 8.290 nan 0.000 0.533 166 N N 0.543 119.282 118.700 0.066 0.000 2.500 166 N HA 0.446 5.168 4.740 -0.031 0.000 0.236 166 N C 1.548 177.096 175.510 0.064 0.000 1.022 166 N CA -0.558 52.522 53.050 0.051 0.000 0.935 166 N CB 0.489 39.001 38.487 0.041 0.000 1.147 166 N HN 0.184 nan 8.380 nan 0.000 0.512 167 L N 1.756 123.005 121.223 0.044 0.000 2.362 167 L HA -0.109 4.213 4.340 -0.031 0.000 0.219 167 L C 2.053 178.896 176.870 -0.045 0.000 1.134 167 L CA 1.153 56.002 54.840 0.016 0.000 0.807 167 L CB -0.471 41.588 42.059 0.001 0.000 0.927 167 L HN 0.591 nan 8.230 nan 0.000 0.447 168 T N -3.716 110.823 114.554 -0.025 0.000 2.962 168 T HA -0.110 4.221 4.350 -0.031 0.000 0.270 168 T C 1.981 176.654 174.700 -0.044 0.000 1.088 168 T CA 0.305 62.381 62.100 -0.041 0.000 1.127 168 T CB -0.174 68.680 68.868 -0.024 0.000 0.883 168 T HN 0.187 nan 8.240 nan 0.000 0.493 169 R N 0.998 121.486 120.500 -0.019 0.000 2.120 169 R HA 0.047 4.369 4.340 -0.031 0.000 0.234 169 R C 2.470 178.733 176.300 -0.060 0.000 1.123 169 R CA 0.750 56.847 56.100 -0.005 0.000 0.975 169 R CB -1.343 28.995 30.300 0.064 0.000 0.866 169 R HN 0.421 nan 8.270 nan 0.000 0.446 170 V N 2.188 121.996 119.914 -0.178 0.000 2.231 170 V HA -0.269 3.832 4.120 -0.031 0.000 0.248 170 V C 1.970 177.952 176.094 -0.186 0.000 1.054 170 V CA 1.970 64.068 62.300 -0.337 0.000 1.015 170 V CB -0.474 30.980 31.823 -0.616 0.000 0.638 170 V HN 0.338 nan 8.190 nan 0.000 0.444 171 N N -0.614 117.995 118.700 -0.151 0.000 2.409 171 N HA -0.089 4.633 4.740 -0.031 0.000 0.179 171 N C 1.925 177.395 175.510 -0.067 0.000 1.032 171 N CA 0.745 53.734 53.050 -0.102 0.000 0.898 171 N CB -0.042 38.387 38.487 -0.097 0.000 0.971 171 N HN 0.620 nan 8.380 nan 0.000 0.441 172 Q N 0.429 120.194 119.800 -0.057 0.000 2.119 172 Q HA 0.024 4.346 4.340 -0.031 0.000 0.201 172 Q C 1.953 177.930 176.000 -0.039 0.000 0.972 172 Q CA 0.900 56.680 55.803 -0.040 0.000 0.847 172 Q CB 0.149 28.871 28.738 -0.027 0.000 0.903 172 Q HN 0.378 nan 8.270 nan 0.000 0.433 173 I N 0.442 120.992 120.570 -0.033 0.000 2.277 173 I HA -0.220 3.932 4.170 -0.031 0.000 0.243 173 I C 2.454 178.540 176.117 -0.051 0.000 1.094 173 I CA 0.808 62.086 61.300 -0.035 0.000 1.393 173 I CB -0.205 37.809 38.000 0.023 0.000 1.078 173 I HN 0.111 nan 8.210 nan 0.000 0.417 174 K N 1.499 121.884 120.400 -0.024 0.000 2.074 174 K HA -0.264 4.037 4.320 -0.031 0.000 0.209 174 K C 1.964 178.548 176.600 -0.026 0.000 1.048 174 K CA 2.168 58.452 56.287 -0.005 0.000 0.926 174 K CB -0.132 32.357 32.500 -0.018 0.000 0.713 174 K HN 0.488 nan 8.250 nan 0.000 0.444 175 E N -0.114 120.063 120.200 -0.039 0.000 2.418 175 E HA -0.160 4.172 4.350 -0.031 0.000 0.197 175 E C 1.266 177.837 176.600 -0.047 0.000 1.026 175 E CA 0.631 57.009 56.400 -0.037 0.000 0.862 175 E CB 0.137 29.816 29.700 -0.035 0.000 0.799 175 E HN 0.192 nan 8.360 nan 0.000 0.518 176 L N 1.013 122.194 121.223 -0.070 0.000 2.616 176 L HA 0.196 4.518 4.340 -0.031 0.000 0.229 176 L C 0.612 177.401 176.870 -0.134 0.000 1.110 176 L CA 0.099 54.885 54.840 -0.090 0.000 0.884 176 L CB 1.076 43.078 42.059 -0.095 0.000 1.115 176 L HN 0.195 nan 8.230 nan 0.000 0.481 177 V N -4.093 115.728 119.914 -0.155 0.000 3.113 177 V HA 0.793 4.895 4.120 -0.031 0.000 0.316 177 V C 0.341 176.392 176.094 -0.070 0.000 1.125 177 V CA -0.788 61.381 62.300 -0.219 0.000 1.026 177 V CB 1.458 32.947 31.823 -0.557 0.000 1.080 177 V HN 0.156 nan 8.190 nan 0.000 0.444 178 S N -0.021 115.666 115.700 -0.022 0.000 2.600 178 S HA 0.365 4.816 4.470 -0.031 0.000 0.265 178 S C 1.040 175.700 174.600 0.098 0.000 1.325 178 S CA 0.540 58.766 58.200 0.043 0.000 1.002 178 S CB 0.624 63.858 63.200 0.057 0.000 0.921 178 S HN 1.604 nan 8.310 nan 0.000 0.554 179 D N 0.318 120.767 120.400 0.082 0.000 2.350 179 D HA -0.030 4.591 4.640 -0.031 0.000 0.216 179 D C 1.006 177.364 176.300 0.097 0.000 0.968 179 D CA 1.120 55.179 54.000 0.099 0.000 0.894 179 D CB -0.822 40.022 40.800 0.073 0.000 0.909 179 D HN 0.832 nan 8.370 nan 0.000 0.520 180 D N -1.962 118.489 120.400 0.084 0.000 2.349 180 D HA 0.131 4.753 4.640 -0.031 0.000 0.214 180 D C 0.186 176.511 176.300 0.042 0.000 1.063 180 D CA -0.771 53.247 54.000 0.031 0.000 0.847 180 D CB -0.865 39.948 40.800 0.022 0.000 0.933 180 D HN 0.439 nan 8.370 nan 0.000 0.513 181 F N 1.640 121.572 119.950 -0.030 0.000 2.495 181 F HA 0.227 4.736 4.527 -0.031 0.000 0.365 181 F C 0.065 175.854 175.800 -0.018 0.000 1.090 181 F CA -0.538 57.448 58.000 -0.023 0.000 1.235 181 F CB 0.785 39.792 39.000 0.012 0.000 1.119 181 F HN -0.282 nan 8.300 nan 0.000 0.562 182 V N 7.177 126.882 119.914 -0.349 0.000 2.465 182 V HA 0.238 4.339 4.120 -0.031 0.000 0.279 182 V C -0.417 175.729 176.094 0.087 0.000 1.045 182 V CA -0.759 61.443 62.300 -0.163 0.000 0.938 182 V CB 1.198 32.890 31.823 -0.219 0.000 0.986 182 V HN 0.388 nan 8.190 nan 0.000 0.467 183 L N 6.579 128.115 121.223 0.520 0.000 2.316 183 L HA 0.563 4.885 4.340 -0.031 0.000 0.280 183 L C -0.362 176.795 176.870 0.478 0.000 1.006 183 L CA -0.144 54.982 54.840 0.477 0.000 0.836 183 L CB 1.055 43.361 42.059 0.411 0.000 1.221 183 L HN 0.462 nan 8.230 nan 0.000 0.418 184 L N 1.566 122.914 121.223 0.207 0.000 2.333 184 L HA 0.497 4.819 4.340 -0.031 0.000 0.280 184 L C 0.653 177.182 176.870 -0.568 0.000 1.004 184 L CA -0.503 54.288 54.840 -0.082 0.000 0.820 184 L CB 2.018 44.031 42.059 -0.078 0.000 1.247 184 L HN 0.568 nan 8.230 nan 0.000 0.416 185 S N 1.510 116.580 115.700 -1.050 0.000 2.549 185 S HA 0.248 4.700 4.470 -0.031 0.000 0.283 185 S C 0.899 175.199 174.600 -0.499 0.000 1.320 185 S CA 0.037 57.532 58.200 -1.175 0.000 1.058 185 S CB 0.839 63.498 63.200 -0.901 0.000 0.882 185 S HN 0.813 nan 8.310 nan 0.000 0.498 186 G N 2.535 111.127 108.800 -0.347 0.000 3.690 186 G HA2 0.269 4.211 3.960 -0.031 0.000 0.283 186 G HA3 0.269 4.211 3.960 -0.031 0.000 0.283 186 G C -0.554 174.273 174.900 -0.120 0.000 1.057 186 G CA -0.336 44.659 45.100 -0.175 0.000 0.821 186 G HN 0.709 nan 8.290 nan 0.000 0.526 187 D N -0.459 119.837 120.400 -0.173 0.000 2.336 187 D HA 0.201 4.822 4.640 -0.031 0.000 0.248 187 D C 0.651 176.844 176.300 -0.179 0.000 1.326 187 D CA -0.525 53.382 54.000 -0.156 0.000 0.973 187 D CB 1.043 41.769 40.800 -0.123 0.000 1.255 187 D HN -0.140 nan 8.370 nan 0.000 0.558 188 D N 2.414 122.711 120.400 -0.173 0.000 2.133 188 D HA -0.210 4.412 4.640 -0.031 0.000 0.195 188 D C 1.771 177.759 176.300 -0.519 0.000 0.997 188 D CA 1.391 55.192 54.000 -0.331 0.000 0.840 188 D CB 0.189 40.879 40.800 -0.185 0.000 0.947 188 D HN 0.557 nan 8.370 nan 0.000 0.452 189 A N 0.639 123.313 122.820 -0.244 0.000 2.019 189 A HA -0.118 4.183 4.320 -0.031 0.000 0.219 189 A C 2.136 179.686 177.584 -0.057 0.000 1.164 189 A CA 1.886 53.870 52.037 -0.089 0.000 0.644 189 A CB -0.141 18.867 19.000 0.013 0.000 0.805 189 A HN 0.306 nan 8.150 nan 0.000 0.449 190 S N -1.820 113.838 115.700 -0.071 0.000 2.578 190 S HA 0.538 4.990 4.470 -0.031 0.000 0.231 190 S C 1.579 176.196 174.600 0.028 0.000 0.994 190 S CA 0.611 58.810 58.200 -0.001 0.000 0.956 190 S CB 0.173 63.388 63.200 0.025 0.000 0.870 190 S HN 0.666 nan 8.310 nan 0.000 0.494 191 A N 2.128 124.916 122.820 -0.053 0.000 1.902 191 A HA 0.088 4.390 4.320 -0.031 0.000 0.217 191 A C 2.072 179.714 177.584 0.096 0.000 1.181 191 A CA 1.468 53.485 52.037 -0.033 0.000 0.623 191 A CB -0.781 18.138 19.000 -0.135 0.000 0.818 191 A HN 0.527 nan 8.150 nan 0.000 0.443 192 L N 0.325 121.601 121.223 0.089 0.000 2.017 192 L HA -0.164 4.158 4.340 -0.031 0.000 0.208 192 L C 1.662 178.622 176.870 0.151 0.000 1.073 192 L CA 2.540 57.476 54.840 0.160 0.000 0.745 192 L CB -0.870 41.289 42.059 0.167 0.000 0.894 192 L HN 0.351 nan 8.230 nan 0.000 0.432 193 D N -0.718 119.738 120.400 0.093 0.000 2.133 193 D HA -0.299 4.323 4.640 -0.031 0.000 0.192 193 D C 2.056 178.386 176.300 0.049 0.000 1.001 193 D CA 1.849 55.869 54.000 0.033 0.000 0.844 193 D CB -0.509 40.310 40.800 0.033 0.000 0.944 193 D HN 0.418 nan 8.370 nan 0.000 0.447 194 F N 0.764 120.694 119.950 -0.033 0.000 2.095 194 F HA -0.181 4.326 4.527 -0.032 0.000 0.298 194 F C 2.436 178.217 175.800 -0.031 0.000 1.104 194 F CA 1.390 59.370 58.000 -0.032 0.000 1.232 194 F CB -0.211 38.777 39.000 -0.020 0.000 0.987 194 F HN -0.120 nan 8.300 nan 0.000 0.475 195 M N -0.468 119.315 119.600 0.304 0.000 2.132 195 M HA -0.243 4.218 4.480 -0.031 0.000 0.263 195 M C 2.339 178.710 176.300 0.118 0.000 1.065 195 M CA 1.776 57.219 55.300 0.238 0.000 1.122 195 M CB -0.673 32.110 32.600 0.305 0.000 1.365 195 M HN 0.246 nan 8.290 nan 0.000 0.411 196 Q N 0.827 120.589 119.800 -0.062 0.000 2.181 196 Q HA -0.151 4.170 4.340 -0.031 0.000 0.205 196 Q C 1.739 177.516 176.000 -0.372 0.000 0.980 196 Q CA 1.179 56.609 55.803 -0.622 0.000 0.862 196 Q CB -0.077 28.143 28.738 -0.863 0.000 0.905 196 Q HN 0.525 nan 8.270 nan 0.000 0.429 197 L N -1.532 119.542 121.223 -0.248 0.000 2.552 197 L HA 0.069 4.391 4.340 -0.031 0.000 0.227 197 L C 1.214 177.949 176.870 -0.226 0.000 1.146 197 L CA 0.687 55.386 54.840 -0.236 0.000 0.858 197 L CB 0.267 42.168 42.059 -0.263 0.000 0.969 197 L HN 0.531 nan 8.230 nan 0.000 0.451 198 G N -1.196 107.482 108.800 -0.203 0.000 2.227 198 G HA2 -0.167 3.775 3.960 -0.031 0.000 0.168 198 G HA3 -0.167 3.775 3.960 -0.031 0.000 0.168 198 G C 0.566 175.249 174.900 -0.361 0.000 1.006 198 G CA -0.438 44.534 45.100 -0.212 0.000 0.684 198 G HN 0.435 nan 8.290 nan 0.000 0.489 199 G N -0.805 107.807 108.800 -0.313 0.000 2.614 199 G HA2 0.433 4.374 3.960 -0.031 0.000 0.239 199 G HA3 0.433 4.374 3.960 -0.031 0.000 0.239 199 G C 0.318 175.152 174.900 -0.110 0.000 1.240 199 G CA 0.304 45.337 45.100 -0.111 0.000 0.842 199 G HN 0.476 nan 8.290 nan 0.000 0.584 200 H N -0.439 118.782 119.070 0.252 0.000 2.652 200 H HA 0.417 4.954 4.556 -0.032 0.000 0.274 200 H C 1.228 176.629 175.328 0.121 0.000 1.021 200 H CA 0.617 56.756 56.048 0.153 0.000 1.187 200 H CB 0.991 30.823 29.762 0.117 0.000 1.505 200 H HN 0.887 nan 8.280 nan 0.000 0.530 201 G N -0.436 108.492 108.800 0.214 0.000 2.327 201 G HA2 0.295 4.237 3.960 -0.031 0.000 0.291 201 G HA3 0.295 4.237 3.960 -0.031 0.000 0.291 201 G C -2.009 172.892 174.900 0.003 0.000 1.290 201 G CA -0.142 45.020 45.100 0.104 0.000 0.857 201 G HN 0.125 nan 8.290 nan 0.000 0.520 202 V N -0.124 119.763 119.914 -0.045 0.000 2.888 202 V HA 0.730 4.832 4.120 -0.031 0.000 0.309 202 V C -0.973 175.057 176.094 -0.106 0.000 1.114 202 V CA -0.947 61.276 62.300 -0.128 0.000 0.940 202 V CB 1.730 33.486 31.823 -0.111 0.000 1.021 202 V HN 0.756 nan 8.190 nan 0.000 0.426 203 I N 5.535 126.016 120.570 -0.148 0.000 2.291 203 I HA 0.421 4.573 4.170 -0.031 0.000 0.290 203 I C 0.185 176.243 176.117 -0.099 0.000 1.050 203 I CA 0.200 61.422 61.300 -0.131 0.000 1.245 203 I CB 1.480 39.368 38.000 -0.187 0.000 1.405 203 I HN 0.627 nan 8.210 nan 0.000 0.478 204 S N 4.708 120.376 115.700 -0.053 0.000 2.482 204 S HA 0.414 4.866 4.470 -0.031 0.000 0.303 204 S C 0.763 175.390 174.600 0.045 0.000 1.091 204 S CA -0.703 57.498 58.200 0.002 0.000 1.057 204 S CB 1.787 64.999 63.200 0.020 0.000 1.031 204 S HN 0.358 nan 8.310 nan 0.000 0.485 205 V N 4.607 124.583 119.914 0.103 0.000 2.379 205 V HA -0.058 4.044 4.120 -0.031 0.000 0.243 205 V C 2.549 178.717 176.094 0.123 0.000 1.035 205 V CA 2.099 64.464 62.300 0.108 0.000 1.035 205 V CB -1.157 30.752 31.823 0.142 0.000 0.673 205 V HN 0.946 nan 8.190 nan 0.000 0.457 206 T N 1.015 115.680 114.554 0.184 0.000 2.737 206 T HA -0.243 4.088 4.350 -0.031 0.000 0.269 206 T C 1.980 176.788 174.700 0.180 0.000 1.040 206 T CA 1.737 63.965 62.100 0.212 0.000 1.142 206 T CB -0.452 68.644 68.868 0.380 0.000 0.861 206 T HN 0.564 nan 8.240 nan 0.000 0.456 207 A N 1.937 124.858 122.820 0.168 0.000 2.070 207 A HA -0.129 4.172 4.320 -0.031 0.000 0.220 207 A C 2.207 179.981 177.584 0.316 0.000 1.159 207 A CA 1.108 53.259 52.037 0.190 0.000 0.656 207 A CB -0.551 18.523 19.000 0.123 0.000 0.800 207 A HN 0.459 nan 8.150 nan 0.000 0.453 208 N N -0.038 118.817 118.700 0.260 0.000 2.205 208 N HA -0.150 4.572 4.740 -0.031 0.000 0.186 208 N C 1.481 177.150 175.510 0.265 0.000 1.015 208 N CA 2.166 55.399 53.050 0.306 0.000 0.862 208 N CB -0.010 38.567 38.487 0.150 0.000 0.986 208 N HN 0.612 nan 8.380 nan 0.000 0.429 209 V N -4.484 115.544 119.914 0.189 0.000 3.432 209 V HA 0.616 4.717 4.120 -0.031 0.000 0.298 209 V C 0.580 176.776 176.094 0.170 0.000 1.464 209 V CA 0.193 62.552 62.300 0.098 0.000 1.046 209 V CB 0.597 32.432 31.823 0.021 0.000 0.887 209 V HN 0.076 nan 8.190 nan 0.000 0.441 210 A N 0.045 122.994 122.820 0.216 0.000 3.045 210 A HA 0.871 5.172 4.320 -0.031 0.000 0.244 210 A C 1.339 179.008 177.584 0.142 0.000 0.917 210 A CA 0.501 52.637 52.037 0.165 0.000 1.075 210 A CB 0.324 19.389 19.000 0.109 0.000 1.202 210 A HN 0.756 nan 8.150 nan 0.000 0.486 211 A N 0.086 122.990 122.820 0.140 0.000 1.902 211 A HA -0.096 4.206 4.320 -0.031 0.000 0.217 211 A C 2.237 179.788 177.584 -0.055 0.000 1.181 211 A CA 1.984 54.018 52.037 -0.006 0.000 0.623 211 A CB -0.423 18.363 19.000 -0.358 0.000 0.818 211 A HN 0.653 nan 8.150 nan 0.000 0.443 212 R N -0.077 120.374 120.500 -0.080 0.000 2.066 212 R HA -0.115 4.207 4.340 -0.031 0.000 0.232 212 R C 1.830 178.127 176.300 -0.005 0.000 1.131 212 R CA 1.907 57.973 56.100 -0.057 0.000 0.955 212 R CB -1.385 28.886 30.300 -0.048 0.000 0.851 212 R HN 0.734 nan 8.270 nan 0.000 0.432 213 D N -0.171 120.243 120.400 0.024 0.000 2.117 213 D HA -0.105 4.517 4.640 -0.031 0.000 0.197 213 D C 2.019 178.351 176.300 0.053 0.000 0.987 213 D CA 1.580 55.604 54.000 0.039 0.000 0.829 213 D CB -0.151 40.680 40.800 0.052 0.000 0.961 213 D HN 0.275 nan 8.370 nan 0.000 0.460 214 M N 0.629 120.269 119.600 0.067 0.000 2.132 214 M HA -0.062 4.399 4.480 -0.031 0.000 0.263 214 M C 2.358 178.687 176.300 0.048 0.000 1.065 214 M CA 0.694 56.042 55.300 0.080 0.000 1.122 214 M CB -1.034 31.624 32.600 0.097 0.000 1.365 214 M HN -0.066 nan 8.290 nan 0.000 0.411 215 A N 0.142 122.976 122.820 0.023 0.000 1.902 215 A HA -0.169 4.132 4.320 -0.031 0.000 0.217 215 A C 2.316 179.903 177.584 0.006 0.000 1.181 215 A CA 2.630 54.669 52.037 0.005 0.000 0.623 215 A CB -1.172 17.818 19.000 -0.018 0.000 0.818 215 A HN 0.566 nan 8.150 nan 0.000 0.443 216 Q N -0.687 119.118 119.800 0.007 0.000 2.084 216 Q HA -0.087 4.235 4.340 -0.031 0.000 0.202 216 Q C 2.224 178.235 176.000 0.017 0.000 0.978 216 Q CA 2.067 57.874 55.803 0.007 0.000 0.844 216 Q CB -0.818 27.923 28.738 0.006 0.000 0.898 216 Q HN 0.811 nan 8.270 nan 0.000 0.426 217 M N -0.236 119.385 119.600 0.036 0.000 2.080 217 M HA -0.165 4.297 4.480 -0.031 0.000 0.260 217 M C 2.319 178.641 176.300 0.038 0.000 1.068 217 M CA 2.170 57.501 55.300 0.051 0.000 1.109 217 M CB -0.323 32.329 32.600 0.088 0.000 1.342 217 M HN 0.604 nan 8.290 nan 0.000 0.405 218 C N 0.403 119.726 119.300 0.038 0.000 2.435 218 C HA -0.112 4.329 4.460 -0.031 0.000 0.279 218 C C 2.712 177.705 174.990 0.004 0.000 1.321 218 C CA 1.025 60.062 59.018 0.032 0.000 1.752 218 C CB -1.101 26.660 27.740 0.034 0.000 1.959 218 C HN 0.589 nan 8.230 nan 0.000 0.500 219 K N 0.839 121.238 120.400 -0.002 0.000 2.001 219 K HA -0.085 4.217 4.320 -0.031 0.000 0.208 219 K C 1.986 178.568 176.600 -0.030 0.000 1.048 219 K CA 1.244 57.524 56.287 -0.011 0.000 0.932 219 K CB -0.301 32.196 32.500 -0.004 0.000 0.715 219 K HN 0.435 nan 8.250 nan 0.000 0.437 220 L N 0.796 122.004 121.223 -0.024 0.000 2.013 220 L HA -0.247 4.074 4.340 -0.031 0.000 0.212 220 L C 2.684 179.417 176.870 -0.228 0.000 1.073 220 L CA 1.541 56.360 54.840 -0.035 0.000 0.753 220 L CB -0.622 41.431 42.059 -0.010 0.000 0.890 220 L HN 0.310 nan 8.230 nan 0.000 0.432 221 A N -0.127 122.535 122.820 -0.263 0.000 1.883 221 A HA -0.207 4.094 4.320 -0.031 0.000 0.217 221 A C 2.509 179.824 177.584 -0.449 0.000 1.186 221 A CA 1.890 53.613 52.037 -0.523 0.000 0.624 221 A CB -0.818 18.146 19.000 -0.060 0.000 0.822 221 A HN 0.429 nan 8.150 nan 0.000 0.444 222 A N -0.378 122.340 122.820 -0.169 0.000 1.972 222 A HA -0.143 4.159 4.320 -0.031 0.000 0.219 222 A C 1.779 179.277 177.584 -0.142 0.000 1.169 222 A CA 1.588 53.575 52.037 -0.084 0.000 0.635 222 A CB -0.447 18.543 19.000 -0.016 0.000 0.810 222 A HN 0.651 nan 8.150 nan 0.000 0.446 223 E N -1.560 118.515 120.200 -0.209 0.000 2.502 223 E HA 0.256 4.587 4.350 -0.031 0.000 0.194 223 E C 1.121 177.405 176.600 -0.525 0.000 1.062 223 E CA 0.272 56.511 56.400 -0.267 0.000 0.867 223 E CB -0.101 29.521 29.700 -0.129 0.000 0.888 223 E HN 0.731 nan 8.360 nan 0.000 0.510 224 G N 1.552 110.005 108.800 -0.579 0.000 2.159 224 G HA2 -0.301 3.640 3.960 -0.031 0.000 0.256 224 G HA3 -0.301 3.640 3.960 -0.031 0.000 0.256 224 G C -0.132 174.410 174.900 -0.597 0.000 0.977 224 G CA 0.086 44.853 45.100 -0.555 0.000 0.652 224 G HN 0.488 nan 8.290 nan 0.000 0.531 225 H N -0.195 118.621 119.070 -0.423 0.000 2.799 225 H HA 0.461 5.013 4.556 -0.006 0.000 0.225 225 H C 1.215 176.413 175.328 -0.216 0.000 1.904 225 H CA -0.632 55.286 56.048 -0.216 0.000 1.344 225 H CB -0.168 29.512 29.762 -0.137 0.000 1.744 225 H HN 0.285 nan 8.280 nan 0.000 0.542 226 F N 0.657 120.664 119.950 0.096 0.000 2.259 226 F HA -0.092 4.421 4.527 -0.024 0.000 0.298 226 F C 2.429 178.272 175.800 0.072 0.000 1.088 226 F CA 0.868 58.909 58.000 0.069 0.000 1.358 226 F CB -0.161 38.862 39.000 0.039 0.000 1.040 226 F HN 0.541 nan 8.300 nan 0.000 0.505 227 A N 0.388 123.342 122.820 0.224 0.000 1.898 227 A HA -0.136 4.166 4.320 -0.031 0.000 0.216 227 A C 2.204 179.851 177.584 0.106 0.000 1.181 227 A CA 2.042 54.167 52.037 0.145 0.000 0.620 227 A CB -1.299 17.769 19.000 0.113 0.000 0.819 227 A HN 0.361 nan 8.150 nan 0.000 0.442 228 E N -0.233 120.019 120.200 0.087 0.000 2.051 228 E HA -0.009 4.323 4.350 -0.031 0.000 0.192 228 E C 2.332 178.967 176.600 0.058 0.000 0.991 228 E CA 2.067 58.495 56.400 0.047 0.000 0.799 228 E CB -1.259 28.444 29.700 0.006 0.000 0.748 228 E HN 1.042 nan 8.360 nan 0.000 0.449 229 A N 1.005 123.867 122.820 0.071 0.000 1.917 229 A HA -0.244 4.057 4.320 -0.031 0.000 0.219 229 A C 2.360 180.014 177.584 0.116 0.000 1.182 229 A CA 1.833 53.921 52.037 0.085 0.000 0.633 229 A CB -0.406 18.644 19.000 0.082 0.000 0.819 229 A HN 0.448 nan 8.150 nan 0.000 0.448 230 R N -0.683 119.897 120.500 0.133 0.000 2.096 230 R HA -0.086 4.235 4.340 -0.031 0.000 0.235 230 R C 2.034 178.394 176.300 0.100 0.000 1.127 230 R CA 1.389 57.564 56.100 0.126 0.000 0.968 230 R CB -0.699 29.673 30.300 0.120 0.000 0.861 230 R HN 0.441 nan 8.270 nan 0.000 0.440 231 V N 1.672 121.634 119.914 0.081 0.000 2.332 231 V HA -0.259 3.842 4.120 -0.031 0.000 0.248 231 V C 2.325 178.459 176.094 0.065 0.000 1.055 231 V CA 1.793 64.130 62.300 0.063 0.000 1.038 231 V CB -0.403 31.445 31.823 0.043 0.000 0.651 231 V HN 0.254 nan 8.190 nan 0.000 0.450 232 I N -0.013 120.598 120.570 0.069 0.000 2.163 232 I HA -0.254 3.897 4.170 -0.031 0.000 0.240 232 I C 2.487 178.659 176.117 0.093 0.000 1.081 232 I CA 1.865 63.207 61.300 0.070 0.000 1.353 232 I CB -0.697 37.343 38.000 0.068 0.000 1.054 232 I HN 0.402 nan 8.210 nan 0.000 0.407 233 N N 0.709 119.485 118.700 0.126 0.000 2.091 233 N HA -0.288 4.433 4.740 -0.031 0.000 0.193 233 N C 1.936 177.520 175.510 0.123 0.000 1.021 233 N CA 1.810 54.962 53.050 0.171 0.000 0.862 233 N CB 0.002 38.603 38.487 0.189 0.000 1.018 233 N HN 0.463 nan 8.380 nan 0.000 0.429 234 Q N 0.172 120.039 119.800 0.113 0.000 2.124 234 Q HA -0.126 4.196 4.340 -0.031 0.000 0.202 234 Q C 2.184 178.291 176.000 0.179 0.000 0.977 234 Q CA 1.093 56.968 55.803 0.120 0.000 0.850 234 Q CB -0.087 28.718 28.738 0.112 0.000 0.901 234 Q HN 0.316 nan 8.270 nan 0.000 0.429 235 R N 0.508 121.098 120.500 0.151 0.000 2.096 235 R HA -0.098 4.224 4.340 -0.031 0.000 0.235 235 R C 1.624 178.027 176.300 0.172 0.000 1.127 235 R CA 1.053 57.262 56.100 0.182 0.000 0.968 235 R CB 0.022 30.357 30.300 0.059 0.000 0.861 235 R HN 0.244 nan 8.270 nan 0.000 0.440 236 L N 0.061 121.282 121.223 -0.003 0.000 2.567 236 L HA 0.059 4.381 4.340 -0.031 0.000 0.225 236 L C 2.108 178.688 176.870 -0.483 0.000 1.119 236 L CA -0.214 54.486 54.840 -0.233 0.000 0.871 236 L CB -0.067 41.790 42.059 -0.338 0.000 1.036 236 L HN 0.251 nan 8.230 nan 0.000 0.459 237 M N 1.354 120.803 119.600 -0.251 0.000 2.117 237 M HA -0.041 4.420 4.480 -0.031 0.000 0.262 237 M C -0.786 175.441 176.300 -0.122 0.000 1.065 237 M CA 1.993 57.215 55.300 -0.129 0.000 1.114 237 M CB -1.090 31.523 32.600 0.022 0.000 1.361 237 M HN -0.095 nan 8.290 nan 0.000 0.408 238 P HA -0.165 nan 4.420 nan 0.000 0.216 238 P C 1.636 178.897 177.300 -0.066 0.000 1.150 238 P CA 1.111 64.104 63.100 -0.178 0.000 0.843 238 P CB -0.174 31.309 31.700 -0.361 0.000 0.787 239 L N -1.389 119.783 121.223 -0.084 0.000 2.072 239 L HA -0.138 4.183 4.340 -0.031 0.000 0.205 239 L C 2.349 179.279 176.870 0.100 0.000 1.079 239 L CA 1.897 56.732 54.840 -0.008 0.000 0.752 239 L CB -1.579 40.460 42.059 -0.034 0.000 0.906 239 L HN 0.080 nan 8.230 nan 0.000 0.436 240 H N -0.591 118.542 119.070 0.105 0.000 2.390 240 H HA -0.136 4.401 4.556 -0.032 0.000 0.298 240 H C 2.017 177.470 175.328 0.208 0.000 1.106 240 H CA 1.848 57.986 56.048 0.151 0.000 1.297 240 H CB -0.486 29.334 29.762 0.097 0.000 1.375 240 H HN 0.512 nan 8.280 nan 0.000 0.509 241 N N 0.003 118.857 118.700 0.256 0.000 2.278 241 N HA -0.062 4.659 4.740 -0.031 0.000 0.181 241 N C 1.650 177.295 175.510 0.224 0.000 1.023 241 N CA 0.317 53.490 53.050 0.206 0.000 0.862 241 N CB 0.300 38.850 38.487 0.106 0.000 1.003 241 N HN 0.020 nan 8.380 nan 0.000 0.431 242 K N 1.051 121.533 120.400 0.137 0.000 2.432 242 K HA 0.094 4.395 4.320 -0.031 0.000 0.196 242 K C 1.426 178.067 176.600 0.068 0.000 1.038 242 K CA 0.297 56.637 56.287 0.089 0.000 0.986 242 K CB -0.143 32.381 32.500 0.040 0.000 0.782 242 K HN 0.300 nan 8.250 nan 0.000 0.485 243 L N -0.170 121.096 121.223 0.073 0.000 2.549 243 L HA -0.021 4.300 4.340 -0.031 0.000 0.229 243 L C 0.665 177.281 176.870 -0.423 0.000 1.158 243 L CA 0.694 55.462 54.840 -0.121 0.000 0.842 243 L CB -0.215 41.771 42.059 -0.120 0.000 0.952 243 L HN 0.016 nan 8.230 nan 0.000 0.452 244 F N -2.868 117.109 119.950 0.046 0.000 2.698 244 F HA 0.116 4.624 4.527 -0.032 0.000 0.304 244 F C 1.548 177.360 175.800 0.021 0.000 1.108 244 F CA -0.088 57.933 58.000 0.035 0.000 1.263 244 F CB 0.140 39.163 39.000 0.037 0.000 1.013 244 F HN -0.274 nan 8.300 nan 0.000 0.532 245 V N -0.020 119.951 119.914 0.096 0.000 2.490 245 V HA -0.133 3.969 4.120 -0.031 0.000 0.250 245 V C 0.829 176.942 176.094 0.031 0.000 1.061 245 V CA 1.897 64.230 62.300 0.054 0.000 1.064 245 V CB -0.074 31.756 31.823 0.013 0.000 0.670 245 V HN 0.277 nan 8.190 nan 0.000 0.461 246 E N -0.694 119.512 120.200 0.011 0.000 2.359 246 E HA 0.407 4.738 4.350 -0.031 0.000 0.266 246 E C -2.719 173.889 176.600 0.013 0.000 0.920 246 E CA -2.466 53.937 56.400 0.004 0.000 0.788 246 E CB 1.731 31.415 29.700 -0.027 0.000 1.279 246 E HN 0.074 nan 8.360 nan 0.000 0.438 247 P HA -0.104 nan 4.420 nan 0.000 0.262 247 P C -0.724 176.572 177.300 -0.007 0.000 1.182 247 P CA 0.292 63.419 63.100 0.044 0.000 0.761 247 P CB 0.278 32.001 31.700 0.038 0.000 0.795 248 N N 4.704 123.395 118.700 -0.014 0.000 2.492 248 N HA 0.026 4.748 4.740 -0.031 0.000 0.262 248 N C -1.733 173.759 175.510 -0.030 0.000 1.202 248 N CA -1.061 51.916 53.050 -0.121 0.000 0.926 248 N CB 0.528 38.938 38.487 -0.128 0.000 1.078 248 N HN 0.241 nan 8.380 nan 0.000 0.454 249 P HA 0.218 nan 4.420 nan 0.000 0.257 249 P C 0.976 178.251 177.300 -0.041 0.000 1.737 249 P CA -0.103 62.956 63.100 -0.069 0.000 1.130 249 P CB 0.068 31.747 31.700 -0.035 0.000 1.572 250 I N 1.137 121.687 120.570 -0.033 0.000 2.091 250 I HA -0.180 3.971 4.170 -0.031 0.000 0.239 250 I C -0.562 175.570 176.117 0.024 0.000 1.061 250 I CA 1.843 63.143 61.300 -0.000 0.000 1.317 250 I CB -2.005 35.990 38.000 -0.009 0.000 1.031 250 I HN 0.069 nan 8.210 nan 0.000 0.401 251 P HA -0.150 nan 4.420 nan 0.000 0.215 251 P C 2.007 179.359 177.300 0.085 0.000 1.157 251 P CA 1.161 64.277 63.100 0.027 0.000 0.863 251 P CB 0.014 31.680 31.700 -0.056 0.000 0.787 252 V N -0.190 119.718 119.914 -0.009 0.000 2.515 252 V HA -0.197 3.904 4.120 -0.031 0.000 0.250 252 V C 2.101 178.207 176.094 0.020 0.000 1.058 252 V CA 1.812 64.112 62.300 0.001 0.000 1.064 252 V CB -0.819 30.974 31.823 -0.050 0.000 0.675 252 V HN 0.038 nan 8.190 nan 0.000 0.461 253 K N -1.347 119.072 120.400 0.032 0.000 2.057 253 K HA -0.226 4.076 4.320 -0.031 0.000 0.206 253 K C 1.848 178.470 176.600 0.037 0.000 1.050 253 K CA 1.950 58.252 56.287 0.024 0.000 0.935 253 K CB -0.342 32.176 32.500 0.030 0.000 0.715 253 K HN 0.685 nan 8.250 nan 0.000 0.439 254 W N 1.614 122.887 121.300 -0.046 0.000 2.355 254 W HA -0.235 4.406 4.660 -0.031 0.000 0.309 254 W C 2.122 178.616 176.519 -0.043 0.000 1.206 254 W CA 2.208 59.529 57.345 -0.040 0.000 1.284 254 W CB -0.360 29.078 29.460 -0.037 0.000 1.145 254 W HN 0.083 nan 8.180 nan 0.000 0.502 255 A N -0.237 122.593 122.820 0.016 0.000 1.883 255 A HA -0.283 4.018 4.320 -0.031 0.000 0.217 255 A C 2.018 179.430 177.584 -0.288 0.000 1.186 255 A CA 2.127 54.069 52.037 -0.158 0.000 0.624 255 A CB -1.575 17.447 19.000 0.035 0.000 0.822 255 A HN 0.427 nan 8.150 nan 0.000 0.444 256 C N -0.768 118.416 119.300 -0.194 0.000 2.413 256 C HA -0.105 4.336 4.460 -0.031 0.000 0.276 256 C C 2.720 177.547 174.990 -0.272 0.000 1.248 256 C CA 1.428 60.319 59.018 -0.212 0.000 1.742 256 C CB -1.062 26.594 27.740 -0.140 0.000 2.017 256 C HN 0.739 nan 8.230 nan 0.000 0.481 257 K N 0.931 121.143 120.400 -0.313 0.000 2.026 257 K HA -0.212 4.089 4.320 -0.031 0.000 0.208 257 K C 1.998 178.345 176.600 -0.421 0.000 1.048 257 K CA 1.877 57.967 56.287 -0.328 0.000 0.929 257 K CB -0.222 32.089 32.500 -0.316 0.000 0.713 257 K HN 0.389 nan 8.250 nan 0.000 0.439 258 E N 0.807 120.602 120.200 -0.676 0.000 2.110 258 E HA -0.131 4.201 4.350 -0.031 0.000 0.193 258 E C 1.670 178.048 176.600 -0.371 0.000 0.988 258 E CA 1.150 57.163 56.400 -0.646 0.000 0.804 258 E CB -0.058 29.003 29.700 -1.065 0.000 0.745 258 E HN 0.372 nan 8.360 nan 0.000 0.458 259 L N -1.161 119.865 121.223 -0.329 0.000 2.599 259 L HA 0.202 4.524 4.340 -0.031 0.000 0.230 259 L C 1.438 178.175 176.870 -0.222 0.000 1.141 259 L CA 0.388 55.083 54.840 -0.242 0.000 0.877 259 L CB -0.203 41.711 42.059 -0.242 0.000 1.009 259 L HN 0.422 nan 8.230 nan 0.000 0.447 260 G N 0.157 108.823 108.800 -0.223 0.000 2.143 260 G HA2 -0.293 3.648 3.960 -0.031 0.000 0.248 260 G HA3 -0.293 3.648 3.960 -0.031 0.000 0.248 260 G C 0.761 175.549 174.900 -0.186 0.000 0.991 260 G CA 0.348 45.341 45.100 -0.179 0.000 0.689 260 G HN 0.344 nan 8.290 nan 0.000 0.522 261 L N -0.576 120.507 121.223 -0.233 0.000 2.240 261 L HA 0.297 4.618 4.340 -0.031 0.000 0.211 261 L C 1.511 178.282 176.870 -0.166 0.000 1.106 261 L CA 1.296 55.986 54.840 -0.250 0.000 0.793 261 L CB 0.036 41.874 42.059 -0.368 0.000 0.927 261 L HN 0.523 nan 8.230 nan 0.000 0.446 262 V N -5.728 114.097 119.914 -0.147 0.000 3.040 262 V HA 0.697 4.799 4.120 -0.031 0.000 0.312 262 V C 0.599 176.635 176.094 -0.095 0.000 1.115 262 V CA -0.395 61.844 62.300 -0.102 0.000 0.998 262 V CB 1.552 33.324 31.823 -0.084 0.000 1.042 262 V HN -0.097 nan 8.190 nan 0.000 0.433 263 A N 1.910 124.690 122.820 -0.067 0.000 1.930 263 A HA 0.377 4.678 4.320 -0.031 0.000 0.215 263 A C 1.290 178.843 177.584 -0.052 0.000 1.176 263 A CA 1.649 53.653 52.037 -0.056 0.000 0.632 263 A CB -0.431 18.547 19.000 -0.038 0.000 0.819 263 A HN 1.830 nan 8.150 nan 0.000 0.445 264 T N -2.714 111.814 114.554 -0.044 0.000 2.883 264 T HA 0.444 4.776 4.350 -0.031 0.000 0.301 264 T C -0.926 173.760 174.700 -0.024 0.000 1.158 264 T CA 0.056 62.139 62.100 -0.029 0.000 1.007 264 T CB 1.855 70.717 68.868 -0.009 0.000 1.186 264 T HN 0.139 nan 8.240 nan 0.000 0.499 265 D N 0.441 120.841 120.400 -0.000 0.000 2.427 265 D HA 0.162 4.784 4.640 -0.031 0.000 0.224 265 D C 0.242 176.566 176.300 0.040 0.000 1.157 265 D CA -0.276 53.740 54.000 0.027 0.000 0.828 265 D CB -0.446 40.406 40.800 0.088 0.000 0.974 265 D HN 0.516 nan 8.370 nan 0.000 0.498 266 T N 0.956 115.524 114.554 0.024 0.000 2.928 266 T HA 0.322 4.654 4.350 -0.031 0.000 0.305 266 T C 0.313 175.023 174.700 0.017 0.000 1.035 266 T CA 0.139 62.252 62.100 0.021 0.000 1.145 266 T CB 0.678 69.554 68.868 0.013 0.000 0.963 266 T HN 0.096 nan 8.240 nan 0.000 0.545 267 L N 2.235 123.468 121.223 0.017 0.000 2.257 267 L HA 0.626 4.947 4.340 -0.031 0.000 0.257 267 L C 0.337 177.213 176.870 0.010 0.000 1.033 267 L CA -1.209 53.638 54.840 0.012 0.000 0.835 267 L CB 1.527 43.594 42.059 0.013 0.000 1.398 267 L HN 0.405 nan 8.230 nan 0.000 0.429 268 R N 0.524 121.029 120.500 0.008 0.000 2.407 268 R HA 0.571 4.892 4.340 -0.031 0.000 0.303 268 R C -1.005 175.298 176.300 0.005 0.000 0.981 268 R CA -0.884 55.220 56.100 0.007 0.000 0.905 268 R CB 1.122 31.427 30.300 0.007 0.000 1.099 268 R HN 0.415 nan 8.270 nan 0.000 0.459 269 L N 4.384 125.610 121.223 0.005 0.000 2.559 269 L HA 0.004 4.325 4.340 -0.031 0.000 0.282 269 L C -0.960 175.910 176.870 0.001 0.000 1.232 269 L CA -0.676 54.166 54.840 0.003 0.000 0.885 269 L CB 0.365 42.426 42.059 0.003 0.000 1.131 269 L HN 0.503 nan 8.230 nan 0.000 0.498 270 P HA 0.067 nan 4.420 nan 0.000 0.257 270 P C -0.091 177.211 177.300 0.004 0.000 1.325 270 P CA -0.016 63.085 63.100 0.002 0.000 0.850 270 P CB 0.444 32.146 31.700 0.003 0.000 1.324 271 M N 1.201 120.803 119.600 0.004 0.000 2.228 271 M HA 0.171 4.632 4.480 -0.031 0.000 0.351 271 M C 0.922 177.225 176.300 0.005 0.000 1.233 271 M CA 0.684 55.987 55.300 0.005 0.000 1.129 271 M CB 0.372 32.975 32.600 0.005 0.000 1.604 271 M HN 0.001 nan 8.290 nan 0.000 0.457 272 T N 1.033 115.589 114.554 0.003 0.000 2.907 272 T HA 0.775 5.106 4.350 -0.031 0.000 0.290 272 T C -2.755 171.946 174.700 0.002 0.000 1.066 272 T CA -2.004 60.097 62.100 0.002 0.000 1.012 272 T CB 1.441 70.308 68.868 -0.001 0.000 1.184 272 T HN 0.307 nan 8.240 nan 0.000 0.522 273 P HA 0.227 nan 4.420 nan 0.000 0.267 273 P C 0.076 177.364 177.300 -0.020 0.000 1.200 273 P CA -0.564 62.540 63.100 0.007 0.000 0.772 273 P CB 0.214 31.921 31.700 0.012 0.000 0.855 274 I N 1.851 122.401 120.570 -0.033 0.000 2.775 274 I HA -0.035 4.117 4.170 -0.031 0.000 0.290 274 I C 0.823 176.858 176.117 -0.136 0.000 1.203 274 I CA 0.352 61.587 61.300 -0.108 0.000 1.433 274 I CB 0.461 38.339 38.000 -0.204 0.000 1.354 274 I HN 0.450 nan 8.210 nan 0.000 0.579 275 T N 2.228 116.701 114.554 -0.134 0.000 2.868 275 T HA 0.122 4.453 4.350 -0.031 0.000 0.292 275 T C 0.894 175.486 174.700 -0.180 0.000 1.028 275 T CA -0.587 61.440 62.100 -0.122 0.000 1.059 275 T CB 0.985 69.800 68.868 -0.089 0.000 0.991 275 T HN 0.608 nan 8.240 nan 0.000 0.531 276 D N 0.773 121.089 120.400 -0.139 0.000 2.116 276 D HA -0.139 4.482 4.640 -0.031 0.000 0.193 276 D C 2.220 178.424 176.300 -0.160 0.000 0.998 276 D CA 1.761 55.673 54.000 -0.147 0.000 0.836 276 D CB -0.672 40.075 40.800 -0.089 0.000 0.951 276 D HN 0.630 nan 8.370 nan 0.000 0.449 277 S N -0.298 115.329 115.700 -0.121 0.000 2.368 277 S HA -0.099 4.352 4.470 -0.031 0.000 0.225 277 S C 2.112 176.626 174.600 -0.143 0.000 1.030 277 S CA 1.800 59.936 58.200 -0.107 0.000 0.999 277 S CB -0.560 62.597 63.200 -0.072 0.000 0.844 277 S HN 0.327 nan 8.310 nan 0.000 0.459 278 G N 1.224 109.922 108.800 -0.171 0.000 2.421 278 G HA2 -0.196 3.746 3.960 -0.031 0.000 0.216 278 G HA3 -0.196 3.746 3.960 -0.031 0.000 0.216 278 G C 1.574 176.266 174.900 -0.346 0.000 1.171 278 G CA 0.676 45.654 45.100 -0.204 0.000 0.775 278 G HN 0.510 nan 8.290 nan 0.000 0.543 279 R N 0.262 120.436 120.500 -0.543 0.000 2.115 279 R HA -0.127 4.195 4.340 -0.031 0.000 0.239 279 R C 3.030 178.999 176.300 -0.551 0.000 1.133 279 R CA 2.384 57.907 56.100 -0.963 0.000 0.935 279 R CB -0.518 29.277 30.300 -0.842 0.000 0.853 279 R HN 0.494 nan 8.270 nan 0.000 0.433 280 E N -0.092 119.936 120.200 -0.288 0.000 2.110 280 E HA -0.160 4.171 4.350 -0.031 0.000 0.193 280 E C 1.930 178.480 176.600 -0.084 0.000 0.988 280 E CA 1.792 58.113 56.400 -0.131 0.000 0.804 280 E CB -1.150 28.499 29.700 -0.086 0.000 0.745 280 E HN 0.468 nan 8.360 nan 0.000 0.458 281 T N 0.265 114.757 114.554 -0.103 0.000 2.708 281 T HA -0.129 4.203 4.350 -0.031 0.000 0.266 281 T C 2.180 176.867 174.700 -0.023 0.000 1.037 281 T CA 1.658 63.725 62.100 -0.055 0.000 1.146 281 T CB -0.305 68.527 68.868 -0.059 0.000 0.865 281 T HN 0.290 nan 8.240 nan 0.000 0.435 282 V N 1.314 121.202 119.914 -0.043 0.000 2.427 282 V HA -0.105 3.996 4.120 -0.031 0.000 0.248 282 V C 2.575 178.775 176.094 0.176 0.000 1.051 282 V CA 1.540 63.883 62.300 0.071 0.000 1.048 282 V CB -0.618 31.282 31.823 0.128 0.000 0.666 282 V HN 0.356 nan 8.190 nan 0.000 0.456 283 R N 0.455 121.069 120.500 0.190 0.000 2.083 283 R HA -0.201 4.121 4.340 -0.031 0.000 0.237 283 R C 2.342 178.724 176.300 0.136 0.000 1.137 283 R CA 1.811 58.060 56.100 0.249 0.000 0.951 283 R CB -0.494 29.950 30.300 0.239 0.000 0.851 283 R HN 0.472 nan 8.270 nan 0.000 0.434 284 A N 0.828 123.700 122.820 0.086 0.000 1.892 284 A HA -0.187 4.115 4.320 -0.031 0.000 0.218 284 A C 2.402 180.040 177.584 0.091 0.000 1.188 284 A CA 2.017 54.098 52.037 0.074 0.000 0.631 284 A CB -0.965 18.062 19.000 0.044 0.000 0.822 284 A HN 0.578 nan 8.150 nan 0.000 0.447 285 A N -0.444 122.418 122.820 0.070 0.000 1.908 285 A HA -0.068 4.234 4.320 -0.031 0.000 0.218 285 A C 2.189 179.831 177.584 0.095 0.000 1.181 285 A CA 1.578 53.650 52.037 0.058 0.000 0.627 285 A CB -0.645 18.372 19.000 0.029 0.000 0.818 285 A HN 0.491 nan 8.150 nan 0.000 0.445 286 L N -0.692 120.591 121.223 0.101 0.000 2.083 286 L HA -0.197 4.125 4.340 -0.031 0.000 0.209 286 L C 2.817 179.736 176.870 0.081 0.000 1.083 286 L CA 1.767 56.659 54.840 0.086 0.000 0.752 286 L CB -0.518 41.592 42.059 0.084 0.000 0.899 286 L HN 0.412 nan 8.230 nan 0.000 0.433 287 K N -1.102 119.353 120.400 0.091 0.000 2.026 287 K HA -0.236 4.065 4.320 -0.031 0.000 0.208 287 K C 2.293 178.941 176.600 0.081 0.000 1.048 287 K CA 1.506 57.837 56.287 0.073 0.000 0.929 287 K CB -0.688 31.854 32.500 0.071 0.000 0.713 287 K HN 0.514 nan 8.250 nan 0.000 0.439 288 H N -0.219 118.860 119.070 0.015 0.000 2.390 288 H HA -0.027 4.511 4.556 -0.030 0.000 0.298 288 H C 1.728 177.057 175.328 0.001 0.000 1.106 288 H CA 1.909 57.961 56.048 0.008 0.000 1.297 288 H CB -0.281 29.485 29.762 0.006 0.000 1.375 288 H HN 0.394 nan 8.280 nan 0.000 0.509 289 A N -0.244 122.674 122.820 0.164 0.000 2.206 289 A HA 0.197 4.499 4.320 -0.031 0.000 0.211 289 A C 1.873 179.473 177.584 0.027 0.000 1.158 289 A CA 1.051 53.144 52.037 0.092 0.000 0.761 289 A CB -0.529 18.518 19.000 0.078 0.000 0.801 289 A HN 0.644 nan 8.150 nan 0.000 0.473 290 G N -1.076 107.731 108.800 0.012 0.000 2.176 290 G HA2 -0.241 3.700 3.960 -0.031 0.000 0.252 290 G HA3 -0.241 3.700 3.960 -0.031 0.000 0.252 290 G C 0.529 175.434 174.900 0.007 0.000 1.024 290 G CA 0.530 45.628 45.100 -0.003 0.000 0.755 290 G HN 0.512 nan 8.290 nan 0.000 0.507 291 L N -1.527 119.706 121.223 0.016 0.000 2.554 291 L HA 0.500 4.821 4.340 -0.031 0.000 0.225 291 L C 1.410 178.276 176.870 -0.007 0.000 1.104 291 L CA 0.314 55.159 54.840 0.008 0.000 0.866 291 L CB 0.063 42.130 42.059 0.014 0.000 1.047 291 L HN 0.267 nan 8.230 nan 0.000 0.468 292 L N 0.000 121.225 121.223 0.003 0.000 2.949 292 L HA 0.000 4.322 4.340 -0.031 0.000 0.249 292 L CA 0.000 54.840 54.840 0.000 0.000 0.813 292 L CB 0.000 42.068 42.059 0.015 0.000 0.961 292 L HN 0.000 nan 8.230 nan 0.000 0.502