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 1q1w_1_B DATA FIRST_RESID 3 DATA SEQUENCE ANDNVVIVGT GLAGVEVAFG LRASGWEGNI RLVGDATVIP HHLPPLSKAY DATA SEQUENCE LAGKATAESL YLRTPDAYAA QNIQLLGGTQ VTAINRDRQQ VILSDGRALD DATA SEQUENCE YDRLVLATGG RPRPLPVASG AVGKANNFRY LRTLEDAECI RRQLIADNRL DATA SEQUENCE VVIGGGYIGL EVAATAIKAN MHVTLLDTAA RVLERVTAPP VSAFYEHLHR DATA SEQUENCE EAGVDIRTGT QVCGFEMSTD QQKVTAVLCE DGTRLPADLV IAGIGLIPNC DATA SEQUENCE ELASAAGLQV DNGIVINEHM QTSDPLIMAV GDCARFHSQL YDRWVRIESV DATA SEQUENCE PNALEQARKI AAILCGKVPR DEAAPWFWSD QYEIGLKMVG LSEGYDRIIV DATA SEQUENCE RGSLAQPDFS VFYLQGDRVL AVDTVNRPVE FNQSKQIITD RLPVEPNLLG DATA SEQUENCE DESVPLKEII AAAKAELSSA P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.462 177.584 -0.204 0.000 1.274 3 A CA 0.000 51.856 52.037 -0.301 0.000 0.836 3 A CB 0.000 18.886 19.000 -0.190 0.000 0.831 4 N N 0.213 118.804 118.700 -0.181 0.000 2.325 4 N HA 0.095 4.835 4.740 0.000 0.000 0.220 4 N C -0.805 174.690 175.510 -0.025 0.000 1.176 4 N CA 0.126 53.127 53.050 -0.080 0.000 0.861 4 N CB 0.161 38.615 38.487 -0.056 0.000 1.230 4 N HN 0.405 nan 8.380 nan 0.000 0.479 5 D N 2.252 122.622 120.400 -0.051 0.000 2.531 5 D HA 0.041 4.681 4.640 0.000 0.000 0.239 5 D C -0.197 176.306 176.300 0.338 0.000 1.144 5 D CA 0.715 54.793 54.000 0.131 0.000 0.869 5 D CB 0.280 41.186 40.800 0.176 0.000 1.160 5 D HN -0.004 nan 8.370 nan 0.000 0.484 6 N N 1.470 120.343 118.700 0.288 0.000 2.438 6 N HA 0.309 5.049 4.740 0.000 0.000 0.282 6 N C -0.954 174.718 175.510 0.270 0.000 1.037 6 N CA -0.450 52.769 53.050 0.280 0.000 0.942 6 N CB 1.570 40.160 38.487 0.170 0.000 1.136 6 N HN 0.066 nan 8.380 nan 0.000 0.481 7 V N 2.339 122.360 119.914 0.179 0.000 2.435 7 V HA 0.396 4.516 4.120 0.000 0.000 0.290 7 V C -0.045 176.028 176.094 -0.035 0.000 1.030 7 V CA -0.727 61.550 62.300 -0.038 0.000 0.881 7 V CB 1.876 33.464 31.823 -0.391 0.000 0.983 7 V HN 0.287 nan 8.190 nan 0.000 0.445 8 V N 6.650 126.534 119.914 -0.049 0.000 2.409 8 V HA 0.508 4.628 4.120 0.000 0.000 0.291 8 V C -0.268 175.753 176.094 -0.121 0.000 1.020 8 V CA -0.379 61.889 62.300 -0.054 0.000 0.848 8 V CB 1.769 33.589 31.823 -0.005 0.000 0.990 8 V HN 0.680 nan 8.190 nan 0.000 0.430 9 I N 5.416 125.926 120.570 -0.100 0.000 2.355 9 I HA 0.376 4.546 4.170 0.000 0.000 0.288 9 I C -0.374 175.698 176.117 -0.076 0.000 0.999 9 I CA -0.713 60.526 61.300 -0.102 0.000 1.163 9 I CB 1.840 39.784 38.000 -0.093 0.000 1.316 9 I HN 0.258 nan 8.210 nan 0.000 0.454 10 V N 5.917 125.781 119.914 -0.083 0.000 2.368 10 V HA 0.751 4.871 4.120 0.000 0.000 0.266 10 V C 0.543 176.604 176.094 -0.055 0.000 1.045 10 V CA -0.250 62.011 62.300 -0.064 0.000 0.899 10 V CB 0.559 32.340 31.823 -0.069 0.000 1.006 10 V HN 1.048 nan 8.190 nan 0.000 0.470 11 G N 3.294 112.067 108.800 -0.045 0.000 3.326 11 G HA2 0.016 3.976 3.960 0.000 0.000 0.681 11 G HA3 0.016 3.976 3.960 0.000 0.000 0.681 11 G C -0.148 174.729 174.900 -0.037 0.000 1.255 11 G CA -0.326 44.748 45.100 -0.043 0.000 0.976 11 G HN 1.032 nan 8.290 nan 0.000 0.563 12 T N 0.287 114.818 114.554 -0.038 0.000 3.258 12 T HA 0.624 4.974 4.350 0.000 0.000 0.259 12 T C 1.274 175.942 174.700 -0.053 0.000 0.963 12 T CA 0.813 62.896 62.100 -0.028 0.000 0.919 12 T CB 0.689 69.539 68.868 -0.030 0.000 1.110 12 T HN 1.556 nan 8.240 nan 0.000 0.550 13 G N 0.448 109.208 108.800 -0.066 0.000 2.510 13 G HA2 0.474 4.434 3.960 0.000 0.000 0.280 13 G HA3 0.474 4.434 3.960 0.000 0.000 0.280 13 G C 0.850 175.697 174.900 -0.088 0.000 1.386 13 G CA -0.830 44.208 45.100 -0.102 0.000 1.047 13 G HN 0.354 nan 8.290 nan 0.000 0.527 14 L N -0.319 120.842 121.223 -0.103 0.000 2.042 14 L HA -0.116 4.224 4.340 0.000 0.000 0.210 14 L C 3.105 179.945 176.870 -0.050 0.000 1.076 14 L CA 2.100 56.890 54.840 -0.084 0.000 0.749 14 L CB -0.586 41.433 42.059 -0.067 0.000 0.893 14 L HN 0.602 nan 8.230 nan 0.000 0.432 15 A N 0.034 122.823 122.820 -0.051 0.000 1.841 15 A HA -0.198 4.122 4.320 0.000 0.000 0.216 15 A C 2.318 179.882 177.584 -0.034 0.000 1.199 15 A CA 1.903 53.914 52.037 -0.045 0.000 0.621 15 A CB -1.544 17.425 19.000 -0.052 0.000 0.835 15 A HN 0.510 nan 8.150 nan 0.000 0.445 16 G N -0.813 107.967 108.800 -0.033 0.000 2.440 16 G HA2 -0.152 3.808 3.960 0.000 0.000 0.218 16 G HA3 -0.152 3.808 3.960 0.000 0.000 0.218 16 G C 1.505 176.415 174.900 0.017 0.000 1.154 16 G CA 1.449 46.535 45.100 -0.024 0.000 0.767 16 G HN 0.372 nan 8.290 nan 0.000 0.552 17 V N 0.642 120.586 119.914 0.049 0.000 2.358 17 V HA -0.103 4.017 4.120 0.000 0.000 0.246 17 V C 2.622 178.810 176.094 0.158 0.000 1.047 17 V CA 2.137 64.525 62.300 0.145 0.000 1.035 17 V CB -0.234 31.668 31.823 0.132 0.000 0.658 17 V HN 0.438 nan 8.190 nan 0.000 0.452 18 E N 0.604 120.838 120.200 0.057 0.000 2.077 18 E HA -0.172 4.178 4.350 0.000 0.000 0.193 18 E C 2.044 178.676 176.600 0.052 0.000 0.989 18 E CA 1.594 58.022 56.400 0.046 0.000 0.800 18 E CB -0.432 29.269 29.700 0.002 0.000 0.746 18 E HN 0.337 nan 8.360 nan 0.000 0.452 19 V N 0.964 120.882 119.914 0.008 0.000 2.261 19 V HA -0.301 3.819 4.120 0.000 0.000 0.246 19 V C 2.385 178.447 176.094 -0.053 0.000 1.047 19 V CA 1.896 64.173 62.300 -0.039 0.000 1.015 19 V CB -1.170 30.607 31.823 -0.078 0.000 0.642 19 V HN 0.466 nan 8.190 nan 0.000 0.446 20 A N -0.051 122.747 122.820 -0.037 0.000 1.859 20 A HA -0.265 4.055 4.320 0.000 0.000 0.218 20 A C 2.031 179.521 177.584 -0.156 0.000 1.209 20 A CA 2.453 54.418 52.037 -0.119 0.000 0.639 20 A CB -0.975 17.967 19.000 -0.098 0.000 0.835 20 A HN 0.475 nan 8.150 nan 0.000 0.450 21 F N 0.265 120.160 119.950 -0.092 0.000 2.234 21 F HA 0.027 4.554 4.527 0.000 0.000 0.299 21 F C 2.633 178.403 175.800 -0.050 0.000 1.087 21 F CA 0.900 58.849 58.000 -0.085 0.000 1.340 21 F CB -0.805 38.123 39.000 -0.121 0.000 1.031 21 F HN 0.297 nan 8.300 nan 0.000 0.500 22 G N 0.069 108.940 108.800 0.118 0.000 2.421 22 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 22 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 22 G C 1.668 176.590 174.900 0.038 0.000 1.171 22 G CA 0.669 45.807 45.100 0.064 0.000 0.775 22 G HN 0.182 nan 8.290 nan 0.000 0.543 23 L N 0.558 121.770 121.223 -0.018 0.000 1.990 23 L HA -0.065 4.275 4.340 0.000 0.000 0.213 23 L C 2.827 179.754 176.870 0.095 0.000 1.072 23 L CA 2.023 56.845 54.840 -0.030 0.000 0.755 23 L CB -0.704 41.207 42.059 -0.247 0.000 0.889 23 L HN 0.177 nan 8.230 nan 0.000 0.432 24 R N -0.473 120.056 120.500 0.049 0.000 2.096 24 R HA -0.049 4.291 4.340 0.000 0.000 0.235 24 R C 2.056 178.407 176.300 0.086 0.000 1.127 24 R CA 1.486 57.635 56.100 0.082 0.000 0.968 24 R CB -0.736 29.551 30.300 -0.022 0.000 0.861 24 R HN 0.424 nan 8.270 nan 0.000 0.440 25 A N -1.191 121.677 122.820 0.081 0.000 2.119 25 A HA 0.010 4.330 4.320 0.000 0.000 0.217 25 A C 1.652 179.279 177.584 0.073 0.000 1.153 25 A CA 1.421 53.505 52.037 0.079 0.000 0.692 25 A CB -0.129 18.922 19.000 0.084 0.000 0.799 25 A HN 0.293 nan 8.150 nan 0.000 0.458 26 S N -1.656 114.096 115.700 0.086 0.000 2.572 26 S HA 0.403 4.873 4.470 0.000 0.000 0.228 26 S C 1.271 175.930 174.600 0.099 0.000 0.963 26 S CA 0.627 58.878 58.200 0.085 0.000 0.939 26 S CB 0.242 63.493 63.200 0.086 0.000 0.804 26 S HN 1.445 nan 8.310 nan 0.000 0.480 27 G N 1.099 109.961 108.800 0.103 0.000 2.176 27 G HA2 -0.234 3.726 3.960 0.000 0.000 0.232 27 G HA3 -0.234 3.726 3.960 0.000 0.000 0.232 27 G C -0.004 174.958 174.900 0.103 0.000 0.986 27 G CA -0.288 44.861 45.100 0.082 0.000 0.643 27 G HN 0.553 nan 8.290 nan 0.000 0.522 28 W N 1.465 122.759 121.300 -0.010 0.000 2.343 28 W HA 0.356 5.016 4.660 0.000 0.000 0.337 28 W C 0.591 177.100 176.519 -0.017 0.000 1.320 28 W CA 1.137 58.474 57.345 -0.013 0.000 1.290 28 W CB 0.519 29.968 29.460 -0.018 0.000 1.206 28 W HN 0.309 nan 8.180 nan 0.000 0.565 29 E N 3.035 122.895 120.200 -0.566 0.000 2.413 29 E HA 0.161 4.511 4.350 0.000 0.000 0.203 29 E C 1.491 177.868 176.600 -0.371 0.000 0.957 29 E CA 0.383 56.569 56.400 -0.356 0.000 0.950 29 E CB 0.169 29.697 29.700 -0.287 0.000 0.957 29 E HN 0.546 nan 8.360 nan 0.000 0.497 30 G N 0.302 108.643 108.800 -0.765 0.000 2.529 30 G HA2 -0.013 3.947 3.960 0.000 0.000 0.277 30 G HA3 -0.013 3.947 3.960 0.000 0.000 0.277 30 G C 0.071 175.105 174.900 0.223 0.000 1.383 30 G CA -0.544 44.425 45.100 -0.218 0.000 1.050 30 G HN 0.077 nan 8.290 nan 0.000 0.526 31 N N -0.703 118.164 118.700 0.279 0.000 2.513 31 N HA 0.320 5.060 4.740 0.000 0.000 0.274 31 N C -0.523 175.147 175.510 0.267 0.000 1.189 31 N CA 0.145 53.330 53.050 0.224 0.000 0.975 31 N CB 1.676 40.242 38.487 0.133 0.000 1.157 31 N HN 0.238 nan 8.380 nan 0.000 0.465 32 I N 1.573 122.216 120.570 0.121 0.000 2.468 32 I HA 0.315 4.485 4.170 0.000 0.000 0.285 32 I C -0.066 176.045 176.117 -0.010 0.000 1.039 32 I CA -0.470 60.834 61.300 0.007 0.000 1.074 32 I CB 1.632 39.592 38.000 -0.067 0.000 1.228 32 I HN 0.148 nan 8.210 nan 0.000 0.436 33 R N 6.372 126.862 120.500 -0.017 0.000 2.393 33 R HA 0.642 4.982 4.340 0.000 0.000 0.315 33 R C -1.238 175.046 176.300 -0.026 0.000 0.952 33 R CA -0.790 55.304 56.100 -0.010 0.000 0.842 33 R CB 2.191 32.497 30.300 0.010 0.000 1.163 33 R HN 0.520 nan 8.270 nan 0.000 0.450 34 L N 4.022 125.235 121.223 -0.017 0.000 2.272 34 L HA 0.451 4.791 4.340 0.000 0.000 0.289 34 L C -0.669 176.186 176.870 -0.026 0.000 1.032 34 L CA -0.861 53.969 54.840 -0.016 0.000 0.810 34 L CB 1.798 43.869 42.059 0.019 0.000 1.205 34 L HN 0.289 nan 8.230 nan 0.000 0.422 35 V N 2.958 122.854 119.914 -0.030 0.000 2.350 35 V HA 0.675 4.795 4.120 0.000 0.000 0.285 35 V C 0.395 176.469 176.094 -0.033 0.000 1.014 35 V CA -0.473 61.809 62.300 -0.030 0.000 0.831 35 V CB 1.404 33.214 31.823 -0.023 0.000 1.000 35 V HN 0.840 nan 8.190 nan 0.000 0.433 36 G N 2.336 111.114 108.800 -0.036 0.000 2.524 36 G HA2 0.553 4.513 3.960 0.000 0.000 0.310 36 G HA3 0.553 4.513 3.960 0.000 0.000 0.310 36 G C 0.111 174.992 174.900 -0.031 0.000 1.279 36 G CA -0.405 44.673 45.100 -0.035 0.000 0.974 36 G HN 0.677 nan 8.290 nan 0.000 0.484 37 D N 0.334 120.718 120.400 -0.027 0.000 2.347 37 D HA 0.170 4.810 4.640 0.000 0.000 0.213 37 D C 1.399 177.688 176.300 -0.018 0.000 0.985 37 D CA 0.400 54.387 54.000 -0.021 0.000 0.879 37 D CB 0.027 40.815 40.800 -0.020 0.000 0.919 37 D HN 0.518 nan 8.370 nan 0.000 0.526 38 A N -0.036 122.774 122.820 -0.018 0.000 2.407 38 A HA 0.480 4.800 4.320 0.000 0.000 0.248 38 A C 0.173 177.750 177.584 -0.012 0.000 1.082 38 A CA -0.220 51.813 52.037 -0.006 0.000 0.785 38 A CB 0.319 19.320 19.000 0.002 0.000 1.020 38 A HN 0.105 nan 8.150 nan 0.000 0.489 39 T N 1.953 116.504 114.554 -0.004 0.000 3.331 39 T HA 0.514 4.864 4.350 0.000 0.000 0.381 39 T C -0.520 174.175 174.700 -0.009 0.000 1.656 39 T CA 0.178 62.269 62.100 -0.015 0.000 1.453 39 T CB -0.777 68.084 68.868 -0.012 0.000 1.066 39 T HN 1.570 nan 8.240 nan 0.000 0.655 40 V N -0.825 119.081 119.914 -0.013 0.000 3.236 40 V HA 0.581 4.701 4.120 0.000 0.000 0.287 40 V C -0.951 175.123 176.094 -0.034 0.000 1.491 40 V CA -1.566 60.731 62.300 -0.005 0.000 1.037 40 V CB 1.186 33.041 31.823 0.053 0.000 1.160 40 V HN 0.484 nan 8.190 nan 0.000 0.453 41 I N 2.834 123.351 120.570 -0.089 0.000 2.533 41 I HA 0.294 4.465 4.170 0.000 0.000 0.284 41 I C -2.043 174.063 176.117 -0.018 0.000 1.109 41 I CA -1.215 59.967 61.300 -0.197 0.000 1.412 41 I CB 0.903 38.587 38.000 -0.527 0.000 1.396 41 I HN 0.526 nan 8.210 nan 0.000 0.543 42 P HA -0.051 nan 4.420 nan 0.000 0.263 42 P C -1.210 176.128 177.300 0.063 0.000 1.168 42 P CA 0.709 63.814 63.100 0.009 0.000 0.759 42 P CB 0.219 31.949 31.700 0.050 0.000 0.782 43 H N -1.190 117.853 119.070 -0.046 0.000 2.990 43 H HA 0.470 5.026 4.556 0.000 0.000 0.336 43 H C -0.468 174.793 175.328 -0.112 0.000 1.306 43 H CA -0.998 55.018 56.048 -0.052 0.000 1.118 43 H CB 0.624 30.406 29.762 0.034 0.000 1.856 43 H HN 0.351 nan 8.280 nan 0.000 0.538 44 H N 0.436 119.564 119.070 0.098 0.000 2.690 44 H HA 0.061 4.617 4.556 0.000 0.000 0.365 44 H C 0.108 175.482 175.328 0.076 0.000 1.142 44 H CA -0.001 56.074 56.048 0.046 0.000 1.417 44 H CB 1.608 31.418 29.762 0.079 0.000 1.446 44 H HN 0.416 nan 8.280 nan 0.000 0.599 45 L N 3.123 124.433 121.223 0.146 0.000 2.362 45 L HA 0.116 4.456 4.340 0.000 0.000 0.204 45 L C -0.779 176.145 176.870 0.090 0.000 1.060 45 L CA 0.178 55.072 54.840 0.090 0.000 0.827 45 L CB -1.254 40.800 42.059 -0.008 0.000 1.027 45 L HN 0.431 nan 8.230 nan 0.000 0.474 46 P HA -0.165 nan 4.420 nan 0.000 0.218 46 P C -1.443 175.919 177.300 0.104 0.000 1.154 46 P CA 1.858 64.986 63.100 0.047 0.000 0.872 46 P CB -0.941 30.833 31.700 0.123 0.000 0.790 47 P HA -0.088 nan 4.420 nan 0.000 0.222 47 P C 1.189 178.600 177.300 0.185 0.000 1.147 47 P CA 1.009 64.200 63.100 0.153 0.000 0.790 47 P CB -0.553 31.227 31.700 0.133 0.000 0.780 48 L N -0.951 120.370 121.223 0.163 0.000 2.450 48 L HA -0.075 4.265 4.340 0.000 0.000 0.224 48 L C 1.471 178.414 176.870 0.121 0.000 1.149 48 L CA 1.592 56.542 54.840 0.183 0.000 0.816 48 L CB -0.774 41.375 42.059 0.151 0.000 0.932 48 L HN 0.158 nan 8.230 nan 0.000 0.449 49 S N -3.009 112.741 115.700 0.084 0.000 2.730 49 S HA 0.275 4.745 4.470 0.000 0.000 0.244 49 S C 0.545 175.171 174.600 0.043 0.000 1.022 49 S CA -0.718 57.509 58.200 0.044 0.000 1.014 49 S CB 0.624 63.836 63.200 0.019 0.000 0.963 49 S HN 0.278 nan 8.310 nan 0.000 0.540 50 K N 0.644 121.089 120.400 0.075 0.000 2.755 50 K HA 0.698 5.018 4.320 0.000 0.000 0.309 50 K C 1.751 178.397 176.600 0.076 0.000 0.972 50 K CA -0.161 56.169 56.287 0.072 0.000 1.092 50 K CB -0.521 32.041 32.500 0.103 0.000 3.486 50 K HN 0.016 nan 8.250 nan 0.000 1.168 51 A N 0.674 123.549 122.820 0.092 0.000 1.948 51 A HA -0.227 4.093 4.320 0.000 0.000 0.220 51 A C 2.064 179.712 177.584 0.107 0.000 1.177 51 A CA 1.907 53.994 52.037 0.084 0.000 0.636 51 A CB -0.818 18.233 19.000 0.085 0.000 0.815 51 A HN 0.574 nan 8.150 nan 0.000 0.449 52 Y N -0.668 119.642 120.300 0.017 0.000 2.263 52 Y HA -0.018 4.532 4.550 0.000 0.000 0.292 52 Y C 1.964 177.866 175.900 0.004 0.000 1.130 52 Y CA 1.323 59.429 58.100 0.009 0.000 1.179 52 Y CB -0.254 38.217 38.460 0.018 0.000 0.998 52 Y HN 0.241 nan 8.280 nan 0.000 0.532 53 L N 0.377 121.622 121.223 0.036 0.000 2.191 53 L HA -0.037 4.303 4.340 0.000 0.000 0.212 53 L C 2.054 178.868 176.870 -0.092 0.000 1.103 53 L CA 1.956 56.771 54.840 -0.043 0.000 0.769 53 L CB -0.895 41.173 42.059 0.014 0.000 0.908 53 L HN 0.225 nan 8.230 nan 0.000 0.438 54 A N -1.087 121.694 122.820 -0.065 0.000 2.278 54 A HA 0.411 4.731 4.320 0.000 0.000 0.212 54 A C 1.580 179.107 177.584 -0.095 0.000 1.213 54 A CA 0.447 52.448 52.037 -0.060 0.000 0.840 54 A CB -1.026 17.961 19.000 -0.023 0.000 0.866 54 A HN 0.697 nan 8.150 nan 0.000 0.489 55 G N -0.039 108.652 108.800 -0.182 0.000 2.273 55 G HA2 -0.293 3.667 3.960 0.000 0.000 0.280 55 G HA3 -0.293 3.667 3.960 0.000 0.000 0.280 55 G C 0.575 175.407 174.900 -0.113 0.000 1.047 55 G CA 0.913 45.884 45.100 -0.216 0.000 0.869 55 G HN 0.579 nan 8.290 nan 0.000 0.502 56 K N -0.757 119.607 120.400 -0.059 0.000 2.402 56 K HA 0.539 4.859 4.320 0.000 0.000 0.204 56 K C 0.958 177.576 176.600 0.030 0.000 1.056 56 K CA 0.545 56.826 56.287 -0.010 0.000 1.069 56 K CB 1.059 33.559 32.500 -0.000 0.000 0.888 56 K HN 0.569 nan 8.250 nan 0.000 0.546 57 A N 1.395 124.265 122.820 0.084 0.000 2.355 57 A HA 0.448 4.768 4.320 0.000 0.000 0.324 57 A C 0.050 177.755 177.584 0.202 0.000 1.117 57 A CA -0.635 51.487 52.037 0.142 0.000 0.785 57 A CB 0.790 19.910 19.000 0.200 0.000 1.254 57 A HN 0.158 nan 8.150 nan 0.000 0.453 58 T N -0.730 113.888 114.554 0.106 0.000 2.868 58 T HA 0.490 4.840 4.350 0.000 0.000 0.292 58 T C 1.322 176.061 174.700 0.064 0.000 1.028 58 T CA 0.101 62.252 62.100 0.085 0.000 1.059 58 T CB 1.227 70.092 68.868 -0.005 0.000 0.991 58 T HN 1.343 nan 8.240 nan 0.000 0.531 59 A N 1.164 124.019 122.820 0.058 0.000 1.902 59 A HA -0.094 4.226 4.320 0.000 0.000 0.217 59 A C 2.235 179.599 177.584 -0.366 0.000 1.181 59 A CA 1.680 53.666 52.037 -0.085 0.000 0.623 59 A CB -1.016 17.997 19.000 0.021 0.000 0.818 59 A HN 1.044 nan 8.150 nan 0.000 0.443 60 E N 0.467 120.386 120.200 -0.468 0.000 2.347 60 E HA -0.118 4.232 4.350 0.000 0.000 0.196 60 E C 1.681 177.842 176.600 -0.731 0.000 1.008 60 E CA 1.272 57.047 56.400 -1.042 0.000 0.852 60 E CB -0.371 28.983 29.700 -0.576 0.000 0.783 60 E HN 0.635 nan 8.360 nan 0.000 0.505 61 S N 1.002 116.500 115.700 -0.337 0.000 2.453 61 S HA -0.013 4.457 4.470 0.000 0.000 0.231 61 S C 1.966 176.517 174.600 -0.081 0.000 1.005 61 S CA 0.332 58.437 58.200 -0.158 0.000 0.949 61 S CB -0.426 62.731 63.200 -0.071 0.000 0.774 61 S HN 0.318 nan 8.310 nan 0.000 0.510 62 L N -0.110 121.027 121.223 -0.143 0.000 2.291 62 L HA 0.118 4.458 4.340 0.000 0.000 0.214 62 L C 0.585 177.624 176.870 0.282 0.000 1.120 62 L CA 0.178 55.049 54.840 0.051 0.000 0.799 62 L CB -0.717 41.257 42.059 -0.142 0.000 0.925 62 L HN 0.355 nan 8.230 nan 0.000 0.446 63 Y N 0.762 121.115 120.300 0.088 0.000 2.810 63 Y HA -0.142 4.408 4.550 0.000 0.000 0.332 63 Y C 1.588 177.480 175.900 -0.013 0.000 1.243 63 Y CA -0.840 57.294 58.100 0.058 0.000 1.537 63 Y CB 0.555 39.048 38.460 0.056 0.000 1.265 63 Y HN 0.087 nan 8.280 nan 0.000 0.572 64 L N 2.795 124.016 121.223 -0.002 0.000 2.056 64 L HA -0.088 4.252 4.340 0.000 0.000 0.207 64 L C 0.706 177.488 176.870 -0.145 0.000 1.078 64 L CA 1.281 55.960 54.840 -0.267 0.000 0.749 64 L CB -0.224 41.657 42.059 -0.296 0.000 0.901 64 L HN 0.579 nan 8.230 nan 0.000 0.433 65 R N -0.548 119.899 120.500 -0.089 0.000 2.698 65 R HA 0.291 4.631 4.340 0.000 0.000 0.275 65 R C -0.494 175.851 176.300 0.075 0.000 1.001 65 R CA -0.515 55.471 56.100 -0.189 0.000 0.896 65 R CB 1.308 31.171 30.300 -0.729 0.000 1.218 65 R HN 0.002 nan 8.270 nan 0.000 0.462 66 T N -1.147 113.465 114.554 0.097 0.000 2.856 66 T HA 0.149 4.499 4.350 0.000 0.000 0.306 66 T C -1.666 173.168 174.700 0.223 0.000 1.062 66 T CA -0.936 61.279 62.100 0.190 0.000 1.083 66 T CB 0.705 69.669 68.868 0.160 0.000 0.984 66 T HN 0.191 nan 8.240 nan 0.000 0.542 67 P HA -0.034 nan 4.420 nan 0.000 0.218 67 P C 1.154 178.601 177.300 0.245 0.000 1.149 67 P CA 0.793 64.009 63.100 0.192 0.000 0.817 67 P CB 0.027 31.737 31.700 0.017 0.000 0.785 68 D N -0.659 119.842 120.400 0.169 0.000 2.218 68 D HA -0.115 4.525 4.640 0.000 0.000 0.204 68 D C 1.935 178.336 176.300 0.170 0.000 0.976 68 D CA 1.284 55.368 54.000 0.141 0.000 0.853 68 D CB -0.477 40.384 40.800 0.101 0.000 0.939 68 D HN 0.080 nan 8.370 nan 0.000 0.481 69 A N 0.395 123.329 122.820 0.190 0.000 1.908 69 A HA -0.221 4.099 4.320 0.000 0.000 0.218 69 A C 1.960 179.701 177.584 0.263 0.000 1.181 69 A CA 1.153 53.304 52.037 0.190 0.000 0.627 69 A CB -1.055 17.977 19.000 0.054 0.000 0.818 69 A HN 0.237 nan 8.150 nan 0.000 0.445 70 Y N -0.110 120.358 120.300 0.279 0.000 2.224 70 Y HA -0.091 4.459 4.550 0.000 0.000 0.289 70 Y C 2.867 178.775 175.900 0.014 0.000 1.146 70 Y CA 1.004 59.180 58.100 0.126 0.000 1.182 70 Y CB -0.496 38.022 38.460 0.096 0.000 0.983 70 Y HN 0.341 nan 8.280 nan 0.000 0.524 71 A N 0.011 122.951 122.820 0.201 0.000 1.854 71 A HA -0.011 4.309 4.320 0.000 0.000 0.214 71 A C 2.429 180.055 177.584 0.071 0.000 1.192 71 A CA 1.415 53.516 52.037 0.106 0.000 0.611 71 A CB -1.290 17.765 19.000 0.093 0.000 0.832 71 A HN 0.358 nan 8.150 nan 0.000 0.442 72 A N -1.254 121.616 122.820 0.083 0.000 2.032 72 A HA -0.173 4.147 4.320 0.000 0.000 0.221 72 A C 1.868 179.477 177.584 0.042 0.000 1.165 72 A CA 1.726 53.801 52.037 0.063 0.000 0.645 72 A CB -0.304 18.741 19.000 0.076 0.000 0.807 72 A HN 0.472 nan 8.150 nan 0.000 0.453 73 Q N -0.762 119.051 119.800 0.021 0.000 2.247 73 Q HA 0.063 4.403 4.340 0.000 0.000 0.204 73 Q C 0.161 176.118 176.000 -0.071 0.000 0.872 73 Q CA 0.136 55.910 55.803 -0.048 0.000 0.951 73 Q CB -0.275 28.363 28.738 -0.165 0.000 1.099 73 Q HN 0.791 nan 8.270 nan 0.000 0.501 74 N N 0.869 119.554 118.700 -0.024 0.000 2.727 74 N HA -0.200 4.540 4.740 0.000 0.000 0.249 74 N C -1.064 174.426 175.510 -0.032 0.000 1.048 74 N CA 0.170 53.214 53.050 -0.009 0.000 0.714 74 N CB -0.817 37.672 38.487 0.005 0.000 0.959 74 N HN 0.271 nan 8.380 nan 0.000 0.544 75 I N 2.095 122.625 120.570 -0.067 0.000 2.328 75 I HA 0.126 4.296 4.170 0.000 0.000 0.287 75 I C 0.406 176.539 176.117 0.026 0.000 1.012 75 I CA -0.466 60.783 61.300 -0.085 0.000 1.195 75 I CB 1.404 39.221 38.000 -0.306 0.000 1.350 75 I HN 0.053 nan 8.210 nan 0.000 0.464 76 Q N 5.564 125.372 119.800 0.012 0.000 2.296 76 Q HA 0.351 4.691 4.340 0.000 0.000 0.262 76 Q C -0.847 175.152 176.000 -0.002 0.000 0.981 76 Q CA -0.504 55.306 55.803 0.011 0.000 0.905 76 Q CB 1.688 30.430 28.738 0.006 0.000 1.186 76 Q HN 0.386 nan 8.270 nan 0.000 0.399 77 L N 4.549 125.746 121.223 -0.043 0.000 2.296 77 L HA 0.458 4.798 4.340 0.000 0.000 0.286 77 L C -1.647 175.168 176.870 -0.091 0.000 1.023 77 L CA -0.720 54.059 54.840 -0.103 0.000 0.812 77 L CB 1.361 43.243 42.059 -0.294 0.000 1.223 77 L HN 0.543 nan 8.230 nan 0.000 0.421 78 L N 5.836 127.018 121.223 -0.069 0.000 2.401 78 L HA 0.800 5.140 4.340 0.000 0.000 0.263 78 L C 0.085 176.922 176.870 -0.056 0.000 1.004 78 L CA 0.060 54.868 54.840 -0.054 0.000 0.881 78 L CB 0.850 42.889 42.059 -0.032 0.000 1.219 78 L HN 0.685 nan 8.230 nan 0.000 0.441 79 G N 1.623 110.383 108.800 -0.067 0.000 2.537 79 G HA2 0.462 4.422 3.960 0.000 0.000 0.297 79 G HA3 0.462 4.422 3.960 0.000 0.000 0.297 79 G C 0.719 175.595 174.900 -0.040 0.000 1.310 79 G CA -0.245 44.820 45.100 -0.058 0.000 1.027 79 G HN 1.368 nan 8.290 nan 0.000 0.505 80 G N -1.772 107.009 108.800 -0.032 0.000 2.219 80 G HA2 -0.241 3.719 3.960 0.000 0.000 0.271 80 G HA3 -0.241 3.719 3.960 0.000 0.000 0.271 80 G C 0.480 175.368 174.900 -0.020 0.000 0.991 80 G CA 1.129 46.216 45.100 -0.023 0.000 0.685 80 G HN 1.077 nan 8.290 nan 0.000 0.531 81 T N 0.211 114.752 114.554 -0.022 0.000 2.770 81 T HA 0.540 4.890 4.350 0.000 0.000 0.283 81 T C -0.066 174.624 174.700 -0.017 0.000 0.988 81 T CA -0.338 61.751 62.100 -0.018 0.000 0.957 81 T CB 1.964 70.821 68.868 -0.018 0.000 0.930 81 T HN 0.422 nan 8.240 nan 0.000 0.443 82 Q N 3.096 122.887 119.800 -0.014 0.000 2.278 82 Q HA 0.450 4.790 4.340 0.000 0.000 0.257 82 Q C -0.992 175.001 176.000 -0.011 0.000 0.928 82 Q CA -0.657 55.138 55.803 -0.014 0.000 0.932 82 Q CB 0.951 29.681 28.738 -0.013 0.000 1.221 82 Q HN 0.447 nan 8.270 nan 0.000 0.434 83 V N 4.740 124.646 119.914 -0.013 0.000 2.405 83 V HA 0.029 4.149 4.120 0.000 0.000 0.264 83 V C 1.360 177.450 176.094 -0.007 0.000 1.048 83 V CA 0.566 62.861 62.300 -0.008 0.000 0.966 83 V CB 0.671 32.486 31.823 -0.014 0.000 1.015 83 V HN 1.055 nan 8.190 nan 0.000 0.477 84 T N 1.862 116.416 114.554 -0.001 0.000 3.035 84 T HA 0.453 4.803 4.350 0.000 0.000 0.259 84 T C 0.547 175.249 174.700 0.003 0.000 1.078 84 T CA 0.601 62.700 62.100 -0.001 0.000 1.132 84 T CB 0.366 69.235 68.868 0.000 0.000 0.900 84 T HN 0.966 nan 8.240 nan 0.000 0.480 85 A N 0.243 123.069 122.820 0.011 0.000 2.608 85 A HA 0.704 5.024 4.320 0.000 0.000 0.292 85 A C -1.720 175.886 177.584 0.036 0.000 1.066 85 A CA -1.076 50.972 52.037 0.018 0.000 0.676 85 A CB 0.976 19.987 19.000 0.018 0.000 1.277 85 A HN 0.379 nan 8.150 nan 0.000 0.413 86 I N 1.641 122.237 120.570 0.044 0.000 2.436 86 I HA 0.327 4.497 4.170 0.000 0.000 0.289 86 I C -0.813 175.357 176.117 0.089 0.000 1.010 86 I CA -0.796 60.555 61.300 0.085 0.000 1.098 86 I CB 2.053 40.093 38.000 0.065 0.000 1.266 86 I HN 0.491 nan 8.210 nan 0.000 0.434 87 N N 6.829 125.594 118.700 0.109 0.000 2.817 87 N HA 0.285 5.025 4.740 0.000 0.000 0.234 87 N C 0.827 176.384 175.510 0.078 0.000 1.066 87 N CA -0.383 52.706 53.050 0.066 0.000 0.926 87 N CB 1.221 39.727 38.487 0.031 0.000 1.176 87 N HN 0.527 nan 8.380 nan 0.000 0.506 88 R N 0.891 121.450 120.500 0.099 0.000 2.112 88 R HA -0.191 4.149 4.340 0.000 0.000 0.242 88 R C 0.631 176.958 176.300 0.046 0.000 1.137 88 R CA 1.893 58.064 56.100 0.118 0.000 0.944 88 R CB -0.000 30.356 30.300 0.094 0.000 0.857 88 R HN 0.390 nan 8.270 nan 0.000 0.435 89 D N -0.499 119.911 120.400 0.017 0.000 2.144 89 D HA -0.068 4.572 4.640 0.000 0.000 0.200 89 D C 1.880 178.152 176.300 -0.046 0.000 0.978 89 D CA 0.937 54.932 54.000 -0.009 0.000 0.833 89 D CB 0.100 40.898 40.800 -0.003 0.000 0.961 89 D HN 0.169 nan 8.370 nan 0.000 0.470 90 R N 0.226 120.695 120.500 -0.052 0.000 2.235 90 R HA 0.057 4.397 4.340 0.000 0.000 0.213 90 R C 0.148 176.343 176.300 -0.175 0.000 1.059 90 R CA 0.307 56.358 56.100 -0.081 0.000 0.997 90 R CB -0.087 30.181 30.300 -0.053 0.000 0.884 90 R HN 0.218 nan 8.270 nan 0.000 0.462 91 Q N 0.981 120.636 119.800 -0.240 0.000 2.460 91 Q HA -0.204 4.136 4.340 0.000 0.000 0.311 91 Q C -1.004 174.450 176.000 -0.911 0.000 1.396 91 Q CA 0.811 56.205 55.803 -0.682 0.000 0.838 91 Q CB -1.202 27.146 28.738 -0.650 0.000 1.140 91 Q HN 0.572 nan 8.270 nan 0.000 0.415 92 Q N -2.056 117.562 119.800 -0.304 0.000 2.435 92 Q HA 0.739 5.079 4.340 0.000 0.000 0.282 92 Q C -0.596 175.532 176.000 0.213 0.000 1.020 92 Q CA -1.005 54.786 55.803 -0.019 0.000 0.820 92 Q CB 1.967 30.678 28.738 -0.045 0.000 1.436 92 Q HN 0.148 nan 8.270 nan 0.000 0.395 93 V N -0.744 119.312 119.914 0.237 0.000 2.532 93 V HA 0.640 4.760 4.120 0.000 0.000 0.295 93 V C -0.349 175.792 176.094 0.077 0.000 1.041 93 V CA -0.912 61.477 62.300 0.147 0.000 0.926 93 V CB 1.266 33.152 31.823 0.105 0.000 0.992 93 V HN 0.719 nan 8.190 nan 0.000 0.457 94 I N 5.011 125.612 120.570 0.051 0.000 2.336 94 I HA 0.439 4.609 4.170 0.000 0.000 0.292 94 I C 0.303 176.431 176.117 0.019 0.000 0.991 94 I CA -0.420 60.898 61.300 0.030 0.000 1.227 94 I CB 1.120 39.133 38.000 0.023 0.000 1.366 94 I HN 0.627 nan 8.210 nan 0.000 0.466 95 L N 4.385 125.617 121.223 0.015 0.000 2.479 95 L HA 0.290 4.630 4.340 0.000 0.000 0.249 95 L C 1.692 178.564 176.870 0.003 0.000 1.178 95 L CA -0.320 54.524 54.840 0.007 0.000 0.811 95 L CB 0.651 42.713 42.059 0.005 0.000 1.187 95 L HN 0.704 nan 8.230 nan 0.000 0.480 96 S N -0.884 114.815 115.700 -0.001 0.000 2.428 96 S HA -0.144 4.326 4.470 0.000 0.000 0.230 96 S C 1.079 175.678 174.600 -0.002 0.000 1.014 96 S CA 0.758 58.957 58.200 -0.002 0.000 0.957 96 S CB -0.411 62.786 63.200 -0.005 0.000 0.784 96 S HN 0.837 nan 8.310 nan 0.000 0.499 97 D N 0.754 121.153 120.400 -0.002 0.000 2.352 97 D HA 0.240 4.880 4.640 0.000 0.000 0.232 97 D C 1.434 177.734 176.300 -0.000 0.000 1.055 97 D CA 0.701 54.700 54.000 -0.002 0.000 0.891 97 D CB -0.580 40.219 40.800 -0.003 0.000 0.897 97 D HN 0.576 nan 8.370 nan 0.000 0.529 98 G N 0.041 108.842 108.800 0.001 0.000 2.258 98 G HA2 -0.312 3.648 3.960 0.000 0.000 0.233 98 G HA3 -0.312 3.648 3.960 0.000 0.000 0.233 98 G C 0.543 175.446 174.900 0.004 0.000 1.006 98 G CA -0.054 45.047 45.100 0.003 0.000 0.620 98 G HN 0.463 nan 8.290 nan 0.000 0.511 99 R N 1.052 121.554 120.500 0.005 0.000 2.811 99 R HA 0.487 4.827 4.340 0.000 0.000 0.265 99 R C 0.383 176.691 176.300 0.012 0.000 1.026 99 R CA 0.811 56.915 56.100 0.007 0.000 1.142 99 R CB 0.450 30.754 30.300 0.007 0.000 1.027 99 R HN 0.748 nan 8.270 nan 0.000 0.465 100 A N 3.305 126.134 122.820 0.014 0.000 2.371 100 A HA 0.542 4.862 4.320 0.000 0.000 0.311 100 A C -0.878 176.722 177.584 0.027 0.000 1.068 100 A CA -0.714 51.336 52.037 0.022 0.000 0.744 100 A CB 1.080 20.088 19.000 0.013 0.000 1.239 100 A HN 0.537 nan 8.150 nan 0.000 0.435 101 L N 2.546 123.798 121.223 0.049 0.000 2.313 101 L HA 0.382 4.722 4.340 0.000 0.000 0.283 101 L C -0.793 176.125 176.870 0.081 0.000 1.013 101 L CA -0.963 53.914 54.840 0.063 0.000 0.816 101 L CB 1.766 43.870 42.059 0.076 0.000 1.236 101 L HN 0.644 nan 8.230 nan 0.000 0.419 102 D N 2.306 122.730 120.400 0.040 0.000 2.304 102 D HA 0.388 5.028 4.640 0.000 0.000 0.247 102 D C -0.856 175.483 176.300 0.065 0.000 1.089 102 D CA 0.359 54.346 54.000 -0.022 0.000 0.910 102 D CB 1.621 42.397 40.800 -0.041 0.000 1.199 102 D HN 0.332 nan 8.370 nan 0.000 0.426 103 Y N -1.697 118.618 120.300 0.024 0.000 2.588 103 Y HA 0.415 4.965 4.550 0.000 0.000 0.343 103 Y C -0.304 175.622 175.900 0.044 0.000 1.065 103 Y CA -0.994 57.126 58.100 0.033 0.000 1.038 103 Y CB 1.265 39.736 38.460 0.017 0.000 1.297 103 Y HN 0.061 nan 8.280 nan 0.000 0.467 104 D N 0.436 121.017 120.400 0.302 0.000 2.455 104 D HA 0.149 4.789 4.640 0.000 0.000 0.228 104 D C -0.171 176.322 176.300 0.321 0.000 1.070 104 D CA 0.678 54.816 54.000 0.229 0.000 0.881 104 D CB 0.621 41.539 40.800 0.198 0.000 1.087 104 D HN 0.356 nan 8.370 nan 0.000 0.498 105 R N 0.838 121.531 120.500 0.322 0.000 2.533 105 R HA 0.443 4.783 4.340 0.000 0.000 0.288 105 R C -1.258 175.011 176.300 -0.051 0.000 1.039 105 R CA -0.770 55.412 56.100 0.136 0.000 0.909 105 R CB 2.154 32.477 30.300 0.038 0.000 1.195 105 R HN -0.007 nan 8.270 nan 0.000 0.438 106 L N 2.471 123.533 121.223 -0.269 0.000 2.341 106 L HA 0.586 4.926 4.340 0.000 0.000 0.278 106 L C -1.104 175.600 176.870 -0.277 0.000 1.005 106 L CA -0.699 53.849 54.840 -0.488 0.000 0.818 106 L CB 2.182 43.612 42.059 -1.048 0.000 1.259 106 L HN 0.346 nan 8.230 nan 0.000 0.418 107 V N 6.392 126.170 119.914 -0.225 0.000 2.407 107 V HA 0.399 4.519 4.120 0.000 0.000 0.291 107 V C -0.204 175.810 176.094 -0.133 0.000 1.018 107 V CA -0.533 61.673 62.300 -0.158 0.000 0.842 107 V CB 1.586 33.320 31.823 -0.148 0.000 0.996 107 V HN 0.570 nan 8.190 nan 0.000 0.426 108 L N 4.730 125.890 121.223 -0.105 0.000 2.270 108 L HA 0.597 4.937 4.340 0.000 0.000 0.286 108 L C 0.693 177.527 176.870 -0.061 0.000 1.059 108 L CA -0.217 54.574 54.840 -0.081 0.000 0.839 108 L CB 1.136 43.155 42.059 -0.067 0.000 1.221 108 L HN 0.744 nan 8.230 nan 0.000 0.431 109 A N 1.395 124.178 122.820 -0.061 0.000 3.257 109 A HA 0.280 4.600 4.320 0.000 0.000 0.308 109 A C 1.236 178.791 177.584 -0.048 0.000 1.175 109 A CA -0.287 51.719 52.037 -0.052 0.000 1.018 109 A CB -0.316 18.651 19.000 -0.054 0.000 1.088 109 A HN 0.745 nan 8.150 nan 0.000 0.567 110 T N -2.910 111.618 114.554 -0.043 0.000 3.088 110 T HA 0.379 4.729 4.350 0.000 0.000 0.259 110 T C 1.428 176.103 174.700 -0.041 0.000 1.122 110 T CA 0.978 63.054 62.100 -0.041 0.000 1.095 110 T CB -0.411 68.434 68.868 -0.037 0.000 0.930 110 T HN 1.836 nan 8.240 nan 0.000 0.508 111 G N 0.808 109.584 108.800 -0.040 0.000 2.581 111 G HA2 0.184 4.144 3.960 0.000 0.000 0.291 111 G HA3 0.184 4.144 3.960 0.000 0.000 0.291 111 G C 0.129 175.004 174.900 -0.041 0.000 1.277 111 G CA -0.165 44.909 45.100 -0.044 0.000 0.959 111 G HN 1.380 nan 8.290 nan 0.000 0.554 112 G N -1.154 107.618 108.800 -0.047 0.000 2.694 112 G HA2 0.858 4.818 3.960 0.000 0.000 0.290 112 G HA3 0.858 4.818 3.960 0.000 0.000 0.290 112 G C -0.544 174.325 174.900 -0.053 0.000 1.386 112 G CA 0.062 45.134 45.100 -0.047 0.000 0.872 112 G HN 1.272 nan 8.290 nan 0.000 0.475 113 R N 0.297 120.761 120.500 -0.060 0.000 2.711 113 R HA 0.676 5.016 4.340 0.000 0.000 0.284 113 R C -2.756 173.487 176.300 -0.095 0.000 0.968 113 R CA -1.850 54.204 56.100 -0.077 0.000 0.924 113 R CB 2.428 32.678 30.300 -0.083 0.000 1.162 113 R HN 0.338 nan 8.270 nan 0.000 0.465 114 P HA -0.042 nan 4.420 nan 0.000 0.269 114 P C -0.881 176.306 177.300 -0.188 0.000 1.209 114 P CA -0.151 62.865 63.100 -0.141 0.000 0.776 114 P CB 0.753 32.346 31.700 -0.179 0.000 0.876 115 R N 3.958 124.404 120.500 -0.090 0.000 2.370 115 R HA 0.239 4.579 4.340 0.000 0.000 0.309 115 R C -2.133 174.134 176.300 -0.056 0.000 1.059 115 R CA -1.563 54.502 56.100 -0.058 0.000 0.981 115 R CB -0.306 29.996 30.300 0.002 0.000 0.972 115 R HN 0.345 nan 8.270 nan 0.000 0.437 116 P HA -0.030 nan 4.420 nan 0.000 0.271 116 P C -1.037 176.363 177.300 0.167 0.000 1.216 116 P CA -0.359 62.736 63.100 -0.008 0.000 0.776 116 P CB 0.557 32.237 31.700 -0.032 0.000 0.881 117 L N 7.272 128.702 121.223 0.345 0.000 2.295 117 L HA 0.314 4.654 4.340 0.000 0.000 0.288 117 L C -1.755 175.219 176.870 0.173 0.000 1.079 117 L CA -2.145 52.853 54.840 0.262 0.000 0.830 117 L CB 0.425 42.684 42.059 0.333 0.000 1.200 117 L HN 0.291 nan 8.230 nan 0.000 0.438 118 P HA -0.282 nan 4.420 nan 0.000 0.218 118 P C 1.616 178.962 177.300 0.076 0.000 1.165 118 P CA 1.464 64.608 63.100 0.073 0.000 0.922 118 P CB 0.089 31.821 31.700 0.054 0.000 0.794 119 V N -1.208 118.766 119.914 0.101 0.000 2.982 119 V HA -0.133 3.987 4.120 0.000 0.000 0.265 119 V C 1.578 177.789 176.094 0.195 0.000 1.122 119 V CA 2.067 64.442 62.300 0.126 0.000 1.143 119 V CB -1.293 30.590 31.823 0.101 0.000 0.726 119 V HN 0.127 nan 8.190 nan 0.000 0.507 120 A N -1.830 121.058 122.820 0.113 0.000 2.538 120 A HA 0.317 4.637 4.320 0.000 0.000 0.269 120 A C 1.883 179.333 177.584 -0.222 0.000 1.231 120 A CA 0.638 52.555 52.037 -0.199 0.000 0.948 120 A CB 0.191 18.891 19.000 -0.501 0.000 1.110 120 A HN 0.438 nan 8.150 nan 0.000 0.529 121 S N 0.090 115.758 115.700 -0.054 0.000 2.522 121 S HA 0.113 4.583 4.470 0.000 0.000 0.227 121 S C 1.558 176.124 174.600 -0.057 0.000 0.986 121 S CA 0.555 58.737 58.200 -0.029 0.000 0.929 121 S CB 0.056 63.262 63.200 0.010 0.000 0.769 121 S HN 0.723 nan 8.310 nan 0.000 0.529 122 G N 1.484 110.238 108.800 -0.078 0.000 2.820 122 G HA2 0.361 4.321 3.960 0.000 0.000 0.158 122 G HA3 0.361 4.321 3.960 0.000 0.000 0.158 122 G C 1.275 176.118 174.900 -0.095 0.000 1.715 122 G CA 0.228 45.289 45.100 -0.066 0.000 1.057 122 G HN 0.372 nan 8.290 nan 0.000 0.525 123 A N -1.415 121.350 122.820 -0.091 0.000 2.014 123 A HA 0.146 4.466 4.320 0.000 0.000 0.218 123 A C 2.509 179.994 177.584 -0.164 0.000 1.163 123 A CA 1.629 53.610 52.037 -0.093 0.000 0.652 123 A CB -0.544 18.418 19.000 -0.062 0.000 0.808 123 A HN 0.376 nan 8.150 nan 0.000 0.449 124 V N 0.147 119.895 119.914 -0.277 0.000 2.324 124 V HA -0.248 3.872 4.120 0.000 0.000 0.250 124 V C 2.791 178.514 176.094 -0.620 0.000 1.060 124 V CA 2.008 63.984 62.300 -0.540 0.000 1.042 124 V CB -1.499 29.772 31.823 -0.919 0.000 0.650 124 V HN 0.597 nan 8.190 nan 0.000 0.450 125 G N -0.445 108.070 108.800 -0.475 0.000 2.462 125 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 125 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 125 G C 1.530 176.449 174.900 0.032 0.000 1.121 125 G CA 0.618 45.599 45.100 -0.199 0.000 0.758 125 G HN 0.523 nan 8.290 nan 0.000 0.559 126 K N 0.367 120.749 120.400 -0.029 0.000 2.404 126 K HA 0.390 4.710 4.320 0.000 0.000 0.194 126 K C 1.003 177.616 176.600 0.022 0.000 1.023 126 K CA -0.093 56.204 56.287 0.017 0.000 1.094 126 K CB 0.632 33.129 32.500 -0.005 0.000 0.841 126 K HN 0.266 nan 8.250 nan 0.000 0.523 127 A N 1.894 124.720 122.820 0.011 0.000 2.425 127 A HA 0.068 4.388 4.320 0.000 0.000 0.249 127 A C 0.713 178.335 177.584 0.062 0.000 1.084 127 A CA -0.484 51.568 52.037 0.023 0.000 0.781 127 A CB 0.231 19.228 19.000 -0.005 0.000 1.019 127 A HN 0.241 nan 8.150 nan 0.000 0.490 128 N N 1.990 120.712 118.700 0.035 0.000 2.289 128 N HA -0.153 4.587 4.740 0.000 0.000 0.184 128 N C 0.539 176.063 175.510 0.023 0.000 1.016 128 N CA 1.420 54.487 53.050 0.028 0.000 0.872 128 N CB -0.168 38.328 38.487 0.015 0.000 0.973 128 N HN 0.829 nan 8.380 nan 0.000 0.433 129 N N -0.192 118.527 118.700 0.031 0.000 2.279 129 N HA 0.002 4.742 4.740 0.000 0.000 0.226 129 N C -0.811 174.715 175.510 0.026 0.000 1.126 129 N CA -0.450 52.610 53.050 0.017 0.000 0.846 129 N CB -0.466 38.032 38.487 0.018 0.000 1.050 129 N HN 0.091 nan 8.380 nan 0.000 0.502 130 F N 1.032 120.918 119.950 -0.105 0.000 2.518 130 F HA 0.637 5.164 4.527 0.000 0.000 0.323 130 F C -0.704 175.009 175.800 -0.145 0.000 1.129 130 F CA -0.711 57.188 58.000 -0.169 0.000 0.920 130 F CB 1.448 40.296 39.000 -0.253 0.000 1.160 130 F HN -0.180 nan 8.300 nan 0.000 0.440 131 R N 4.276 124.165 120.500 -1.020 0.000 2.692 131 R HA 0.286 4.626 4.340 0.000 0.000 0.269 131 R C -1.837 174.016 176.300 -0.746 0.000 1.030 131 R CA -0.855 54.884 56.100 -0.601 0.000 0.882 131 R CB 1.981 32.136 30.300 -0.242 0.000 1.250 131 R HN 0.702 nan 8.270 nan 0.000 0.465 132 Y N 0.374 120.512 120.300 -0.269 0.000 2.545 132 Y HA 0.520 5.070 4.550 0.000 0.000 0.324 132 Y C 0.238 176.071 175.900 -0.112 0.000 1.220 132 Y CA -0.849 57.150 58.100 -0.169 0.000 1.290 132 Y CB 0.925 39.346 38.460 -0.064 0.000 1.355 132 Y HN 0.276 nan 8.280 nan 0.000 0.516 133 L N 1.991 123.267 121.223 0.088 0.000 2.366 133 L HA 0.493 4.833 4.340 0.000 0.000 0.266 133 L C -0.169 176.732 176.870 0.052 0.000 1.010 133 L CA -0.102 54.764 54.840 0.043 0.000 0.879 133 L CB 0.737 42.800 42.059 0.006 0.000 1.228 133 L HN 0.783 nan 8.230 nan 0.000 0.439 134 R N 1.296 121.831 120.500 0.058 0.000 2.851 134 R HA 0.262 4.602 4.340 0.000 0.000 0.177 134 R C 0.020 176.358 176.300 0.063 0.000 0.888 134 R CA 0.987 57.112 56.100 0.042 0.000 1.326 134 R CB 0.335 30.646 30.300 0.019 0.000 1.668 134 R HN 0.592 nan 8.270 nan 0.000 0.575 135 T N -1.421 113.178 114.554 0.077 0.000 2.944 135 T HA 0.257 4.607 4.350 0.000 0.000 0.284 135 T C 1.048 175.819 174.700 0.118 0.000 1.010 135 T CA -0.540 61.624 62.100 0.107 0.000 1.025 135 T CB 1.373 70.288 68.868 0.079 0.000 1.079 135 T HN 0.050 nan 8.240 nan 0.000 0.516 136 L N 0.535 121.831 121.223 0.121 0.000 2.127 136 L HA 0.021 4.362 4.340 0.000 0.000 0.211 136 L C 2.508 179.406 176.870 0.047 0.000 1.089 136 L CA 1.925 56.764 54.840 -0.002 0.000 0.757 136 L CB -1.029 40.872 42.059 -0.262 0.000 0.899 136 L HN 0.973 nan 8.230 nan 0.000 0.434 137 E N -0.756 119.473 120.200 0.048 0.000 2.031 137 E HA -0.235 4.115 4.350 0.000 0.000 0.193 137 E C 1.731 178.360 176.600 0.050 0.000 0.994 137 E CA 1.412 57.839 56.400 0.046 0.000 0.800 137 E CB -0.030 29.694 29.700 0.040 0.000 0.752 137 E HN 0.553 nan 8.360 nan 0.000 0.447 138 D N 0.413 120.845 120.400 0.054 0.000 2.116 138 D HA -0.221 4.419 4.640 0.000 0.000 0.193 138 D C 1.855 178.178 176.300 0.037 0.000 0.998 138 D CA 1.473 55.498 54.000 0.042 0.000 0.836 138 D CB -0.430 40.400 40.800 0.051 0.000 0.951 138 D HN 0.289 nan 8.370 nan 0.000 0.449 139 A N 1.301 124.163 122.820 0.070 0.000 1.873 139 A HA -0.253 4.067 4.320 0.000 0.000 0.218 139 A C 2.111 179.734 177.584 0.064 0.000 1.193 139 A CA 1.876 53.968 52.037 0.093 0.000 0.629 139 A CB -0.645 18.469 19.000 0.190 0.000 0.826 139 A HN 0.274 nan 8.150 nan 0.000 0.447 140 E N -1.214 119.037 120.200 0.084 0.000 2.106 140 E HA -0.168 4.182 4.350 0.000 0.000 0.192 140 E C 2.093 178.692 176.600 -0.000 0.000 0.984 140 E CA 0.981 57.402 56.400 0.034 0.000 0.806 140 E CB -0.431 29.313 29.700 0.072 0.000 0.750 140 E HN 0.700 nan 8.360 nan 0.000 0.458 141 C N 0.909 120.214 119.300 0.009 0.000 2.425 141 C HA -0.100 4.360 4.460 0.000 0.000 0.277 141 C C 2.521 177.499 174.990 -0.021 0.000 1.280 141 C CA 0.480 59.496 59.018 -0.004 0.000 1.744 141 C CB -0.873 26.869 27.740 0.002 0.000 1.989 141 C HN 0.335 nan 8.230 nan 0.000 0.491 142 I N 0.198 120.752 120.570 -0.027 0.000 2.233 142 I HA -0.095 4.075 4.170 0.000 0.000 0.243 142 I C 2.950 179.041 176.117 -0.044 0.000 1.093 142 I CA 1.179 62.453 61.300 -0.042 0.000 1.380 142 I CB -0.770 37.202 38.000 -0.046 0.000 1.067 142 I HN 0.296 nan 8.210 nan 0.000 0.413 143 R N 1.774 122.243 120.500 -0.052 0.000 2.083 143 R HA -0.173 4.167 4.340 0.000 0.000 0.237 143 R C 2.274 178.535 176.300 -0.066 0.000 1.137 143 R CA 1.658 57.711 56.100 -0.078 0.000 0.951 143 R CB -0.316 29.899 30.300 -0.142 0.000 0.851 143 R HN 0.326 nan 8.270 nan 0.000 0.434 144 R N 0.039 120.506 120.500 -0.055 0.000 2.249 144 R HA -0.129 4.211 4.340 0.000 0.000 0.230 144 R C 1.732 178.014 176.300 -0.031 0.000 1.121 144 R CA 1.307 57.383 56.100 -0.041 0.000 0.997 144 R CB -0.042 30.241 30.300 -0.029 0.000 0.867 144 R HN 0.448 nan 8.270 nan 0.000 0.465 145 Q N -0.018 119.764 119.800 -0.030 0.000 2.247 145 Q HA 0.182 4.522 4.340 0.000 0.000 0.211 145 Q C -0.130 175.858 176.000 -0.020 0.000 0.861 145 Q CA -0.167 55.623 55.803 -0.022 0.000 0.949 145 Q CB 0.740 29.465 28.738 -0.022 0.000 1.115 145 Q HN 0.237 nan 8.270 nan 0.000 0.507 146 L N 2.228 123.435 121.223 -0.025 0.000 2.382 146 L HA 0.236 4.576 4.340 0.000 0.000 0.259 146 L C -0.418 176.446 176.870 -0.011 0.000 1.291 146 L CA 0.015 54.844 54.840 -0.018 0.000 1.176 146 L CB -0.260 41.784 42.059 -0.026 0.000 1.373 146 L HN 0.118 nan 8.230 nan 0.000 0.426 147 I N 1.719 122.287 120.570 -0.003 0.000 2.353 147 I HA 0.324 4.494 4.170 0.000 0.000 0.293 147 I C 0.944 177.068 176.117 0.011 0.000 0.992 147 I CA -0.431 60.870 61.300 0.001 0.000 1.268 147 I CB 1.595 39.595 38.000 -0.000 0.000 1.387 147 I HN 0.429 nan 8.210 nan 0.000 0.478 148 A N 4.498 127.325 122.820 0.011 0.000 2.561 148 A HA 0.039 4.359 4.320 0.000 0.000 0.234 148 A C 0.807 178.406 177.584 0.025 0.000 1.055 148 A CA 0.291 52.339 52.037 0.019 0.000 0.756 148 A CB -0.098 18.910 19.000 0.013 0.000 0.986 148 A HN 0.979 nan 8.150 nan 0.000 0.505 149 D N -0.410 120.014 120.400 0.039 0.000 2.880 149 D HA -0.157 4.483 4.640 0.000 0.000 0.198 149 D C 0.110 176.439 176.300 0.047 0.000 1.059 149 D CA 1.894 55.923 54.000 0.049 0.000 1.019 149 D CB -1.357 39.462 40.800 0.032 0.000 1.112 149 D HN 0.674 nan 8.370 nan 0.000 0.424 150 N N 0.456 119.179 118.700 0.038 0.000 2.381 150 N HA 0.294 5.034 4.740 0.000 0.000 0.254 150 N C 0.239 175.776 175.510 0.046 0.000 1.264 150 N CA 0.144 53.209 53.050 0.025 0.000 0.942 150 N CB 0.532 39.029 38.487 0.016 0.000 1.190 150 N HN 0.110 nan 8.380 nan 0.000 0.495 151 R N 0.697 121.204 120.500 0.012 0.000 2.255 151 R HA 0.441 4.781 4.340 0.000 0.000 0.326 151 R C -0.854 175.476 176.300 0.049 0.000 0.986 151 R CA -0.806 55.304 56.100 0.018 0.000 0.847 151 R CB 0.903 31.128 30.300 -0.126 0.000 1.111 151 R HN 0.338 nan 8.270 nan 0.000 0.452 152 L N 3.325 124.606 121.223 0.097 0.000 2.322 152 L HA 0.482 4.822 4.340 0.000 0.000 0.281 152 L C -1.138 175.781 176.870 0.082 0.000 1.014 152 L CA -0.590 54.290 54.840 0.067 0.000 0.815 152 L CB 2.020 44.106 42.059 0.047 0.000 1.247 152 L HN 0.332 nan 8.230 nan 0.000 0.421 153 V N 5.891 125.843 119.914 0.062 0.000 2.378 153 V HA 0.465 4.585 4.120 0.000 0.000 0.288 153 V C -0.356 175.758 176.094 0.034 0.000 1.016 153 V CA -0.672 61.668 62.300 0.066 0.000 0.840 153 V CB 1.691 33.569 31.823 0.093 0.000 0.994 153 V HN 0.558 nan 8.190 nan 0.000 0.431 154 V N 6.587 126.509 119.914 0.013 0.000 2.407 154 V HA 0.465 4.585 4.120 0.000 0.000 0.278 154 V C -0.003 176.086 176.094 -0.007 0.000 1.037 154 V CA -0.348 61.939 62.300 -0.022 0.000 0.900 154 V CB 1.641 33.441 31.823 -0.040 0.000 0.983 154 V HN 0.678 nan 8.190 nan 0.000 0.459 155 I N 4.661 125.228 120.570 -0.006 0.000 2.330 155 I HA 0.730 4.900 4.170 0.000 0.000 0.286 155 I C 0.594 176.712 176.117 0.003 0.000 1.025 155 I CA -0.090 61.224 61.300 0.024 0.000 1.197 155 I CB 1.219 39.276 38.000 0.095 0.000 1.358 155 I HN 0.853 nan 8.210 nan 0.000 0.467 156 G N 3.373 112.166 108.800 -0.012 0.000 3.088 156 G HA2 0.088 4.048 3.960 0.000 0.000 0.620 156 G HA3 0.088 4.048 3.960 0.000 0.000 0.620 156 G C -0.093 174.768 174.900 -0.065 0.000 1.375 156 G CA -0.574 44.510 45.100 -0.026 0.000 1.016 156 G HN 0.855 nan 8.290 nan 0.000 0.590 157 G N 0.515 109.267 108.800 -0.081 0.000 3.678 157 G HA2 0.632 4.592 3.960 0.000 0.000 0.287 157 G HA3 0.632 4.592 3.960 0.000 0.000 0.287 157 G C 0.855 175.642 174.900 -0.190 0.000 1.280 157 G CA 0.839 45.859 45.100 -0.133 0.000 1.118 157 G HN 1.185 nan 8.290 nan 0.000 0.563 158 G N -0.900 107.802 108.800 -0.163 0.000 2.557 158 G HA2 0.369 4.329 3.960 0.000 0.000 0.292 158 G HA3 0.369 4.329 3.960 0.000 0.000 0.292 158 G C 0.585 175.349 174.900 -0.228 0.000 1.237 158 G CA -0.656 44.324 45.100 -0.201 0.000 0.978 158 G HN 0.202 nan 8.290 nan 0.000 0.498 159 Y N -0.473 119.764 120.300 -0.105 0.000 2.151 159 Y HA -0.173 4.377 4.550 0.000 0.000 0.284 159 Y C 2.782 178.632 175.900 -0.083 0.000 1.166 159 Y CA 1.446 59.493 58.100 -0.088 0.000 1.163 159 Y CB -0.199 38.256 38.460 -0.009 0.000 0.974 159 Y HN 0.283 nan 8.280 nan 0.000 0.511 160 I N -0.830 119.777 120.570 0.062 0.000 2.252 160 I HA -0.222 3.948 4.170 0.000 0.000 0.245 160 I C 2.664 178.766 176.117 -0.026 0.000 1.102 160 I CA 1.280 62.586 61.300 0.009 0.000 1.385 160 I CB -0.873 37.121 38.000 -0.009 0.000 1.064 160 I HN 0.277 nan 8.210 nan 0.000 0.414 161 G N 1.231 109.998 108.800 -0.054 0.000 2.418 161 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 161 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 161 G C 1.711 176.549 174.900 -0.104 0.000 1.158 161 G CA 0.533 45.586 45.100 -0.078 0.000 0.771 161 G HN 0.262 nan 8.290 nan 0.000 0.545 162 L N -0.024 121.114 121.223 -0.141 0.000 2.093 162 L HA -0.019 4.321 4.340 0.000 0.000 0.208 162 L C 2.848 179.699 176.870 -0.032 0.000 1.085 162 L CA 1.119 55.841 54.840 -0.196 0.000 0.755 162 L CB -0.401 41.506 42.059 -0.253 0.000 0.904 162 L HN 0.266 nan 8.230 nan 0.000 0.435 163 E N -0.309 119.887 120.200 -0.007 0.000 2.110 163 E HA -0.174 4.176 4.350 0.000 0.000 0.193 163 E C 2.291 178.868 176.600 -0.038 0.000 0.988 163 E CA 1.131 57.525 56.400 -0.010 0.000 0.804 163 E CB -0.006 29.703 29.700 0.015 0.000 0.745 163 E HN 0.271 nan 8.360 nan 0.000 0.458 164 V N 1.264 121.158 119.914 -0.034 0.000 2.358 164 V HA -0.250 3.870 4.120 0.000 0.000 0.246 164 V C 2.305 178.380 176.094 -0.031 0.000 1.047 164 V CA 1.760 64.039 62.300 -0.035 0.000 1.035 164 V CB -0.621 31.177 31.823 -0.043 0.000 0.658 164 V HN 0.303 nan 8.190 nan 0.000 0.452 165 A N 0.116 122.921 122.820 -0.025 0.000 1.877 165 A HA -0.131 4.189 4.320 0.000 0.000 0.216 165 A C 2.438 180.050 177.584 0.046 0.000 1.186 165 A CA 2.141 54.191 52.037 0.021 0.000 0.620 165 A CB -0.828 18.183 19.000 0.019 0.000 0.822 165 A HN 0.560 nan 8.150 nan 0.000 0.443 166 A N -1.017 121.768 122.820 -0.060 0.000 1.902 166 A HA -0.090 4.230 4.320 0.000 0.000 0.217 166 A C 2.318 179.798 177.584 -0.173 0.000 1.181 166 A CA 2.350 54.143 52.037 -0.406 0.000 0.623 166 A CB -1.308 17.058 19.000 -1.056 0.000 0.818 166 A HN 0.440 nan 8.150 nan 0.000 0.443 167 T N 0.360 114.847 114.554 -0.111 0.000 2.708 167 T HA -0.037 4.313 4.350 0.000 0.000 0.266 167 T C 2.251 176.943 174.700 -0.013 0.000 1.037 167 T CA 1.703 63.773 62.100 -0.051 0.000 1.146 167 T CB -0.521 68.325 68.868 -0.037 0.000 0.865 167 T HN 0.605 nan 8.240 nan 0.000 0.435 168 A N 1.488 124.306 122.820 -0.003 0.000 1.908 168 A HA -0.060 4.260 4.320 0.000 0.000 0.218 168 A C 2.289 179.896 177.584 0.039 0.000 1.181 168 A CA 1.102 53.147 52.037 0.014 0.000 0.627 168 A CB -0.721 18.289 19.000 0.016 0.000 0.818 168 A HN 0.387 nan 8.150 nan 0.000 0.445 169 I N -0.088 120.524 120.570 0.070 0.000 2.179 169 I HA -0.224 3.946 4.170 0.000 0.000 0.242 169 I C 2.433 178.602 176.117 0.087 0.000 1.088 169 I CA 2.161 63.523 61.300 0.103 0.000 1.357 169 I CB -0.932 37.200 38.000 0.220 0.000 1.051 169 I HN 0.384 nan 8.210 nan 0.000 0.409 170 K N 2.004 122.458 120.400 0.090 0.000 2.160 170 K HA -0.122 4.198 4.320 0.000 0.000 0.206 170 K C 1.679 178.300 176.600 0.036 0.000 1.047 170 K CA 1.823 58.150 56.287 0.067 0.000 0.930 170 K CB -0.361 32.169 32.500 0.049 0.000 0.720 170 K HN 0.249 nan 8.250 nan 0.000 0.450 171 A N 0.396 123.231 122.820 0.026 0.000 2.276 171 A HA 0.109 4.429 4.320 0.000 0.000 0.212 171 A C -0.183 177.412 177.584 0.019 0.000 1.230 171 A CA 0.333 52.378 52.037 0.014 0.000 0.844 171 A CB -0.479 18.522 19.000 0.003 0.000 0.860 171 A HN 0.538 nan 8.150 nan 0.000 0.486 172 N N -0.953 117.764 118.700 0.028 0.000 2.758 172 N HA -0.134 4.606 4.740 0.000 0.000 0.248 172 N C -0.274 175.258 175.510 0.036 0.000 1.076 172 N CA 1.174 54.241 53.050 0.028 0.000 0.696 172 N CB -1.369 37.130 38.487 0.021 0.000 0.979 172 N HN 0.617 nan 8.380 nan 0.000 0.550 173 M N -0.113 119.513 119.600 0.044 0.000 2.471 173 M HA 0.186 4.666 4.480 0.000 0.000 0.309 173 M C 0.824 177.178 176.300 0.090 0.000 1.186 173 M CA -0.554 54.785 55.300 0.065 0.000 1.008 173 M CB 1.183 33.816 32.600 0.055 0.000 1.551 173 M HN 0.083 nan 8.290 nan 0.000 0.477 174 H N 1.804 120.883 119.070 0.016 0.000 2.705 174 H HA 0.431 4.987 4.556 0.000 0.000 0.291 174 H C -1.859 173.482 175.328 0.020 0.000 1.085 174 H CA -0.305 55.754 56.048 0.017 0.000 1.357 174 H CB 0.276 30.046 29.762 0.013 0.000 1.419 174 H HN 0.321 nan 8.280 nan 0.000 0.462 175 V N 5.450 125.348 119.914 -0.027 0.000 2.483 175 V HA 0.330 4.450 4.120 0.000 0.000 0.295 175 V C 0.225 176.329 176.094 0.017 0.000 1.035 175 V CA -0.563 61.763 62.300 0.043 0.000 0.896 175 V CB 1.846 33.690 31.823 0.036 0.000 0.986 175 V HN 0.860 nan 8.190 nan 0.000 0.447 176 T N 5.562 120.162 114.554 0.077 0.000 2.928 176 T HA 0.549 4.899 4.350 0.000 0.000 0.296 176 T C -0.903 173.816 174.700 0.033 0.000 1.000 176 T CA -0.287 61.849 62.100 0.061 0.000 0.989 176 T CB 1.458 70.394 68.868 0.113 0.000 1.005 176 T HN 0.563 nan 8.240 nan 0.000 0.442 177 L N 4.729 125.956 121.223 0.007 0.000 2.333 177 L HA 0.726 5.066 4.340 0.000 0.000 0.280 177 L C -1.479 175.383 176.870 -0.014 0.000 1.004 177 L CA -0.857 53.973 54.840 -0.016 0.000 0.820 177 L CB 0.765 42.790 42.059 -0.057 0.000 1.247 177 L HN 0.577 nan 8.230 nan 0.000 0.416 178 L N 4.260 125.478 121.223 -0.009 0.000 2.334 178 L HA 0.665 5.005 4.340 0.000 0.000 0.276 178 L C -1.047 175.814 176.870 -0.014 0.000 1.014 178 L CA -0.666 54.170 54.840 -0.007 0.000 0.815 178 L CB 1.785 43.844 42.059 0.000 0.000 1.268 178 L HN 0.544 nan 8.230 nan 0.000 0.428 179 D N -0.332 120.060 120.400 -0.013 0.000 2.977 179 D HA 0.154 4.794 4.640 0.000 0.000 0.220 179 D C 0.642 176.938 176.300 -0.007 0.000 1.267 179 D CA -0.250 53.741 54.000 -0.014 0.000 0.884 179 D CB 2.246 43.029 40.800 -0.028 0.000 1.667 179 D HN 0.651 nan 8.370 nan 0.000 0.536 180 T N 0.238 114.790 114.554 -0.003 0.000 2.867 180 T HA 0.190 4.540 4.350 0.000 0.000 0.268 180 T C 1.183 175.884 174.700 0.001 0.000 1.057 180 T CA 0.717 62.817 62.100 -0.000 0.000 1.136 180 T CB -0.058 68.812 68.868 0.004 0.000 0.874 180 T HN 0.439 nan 8.240 nan 0.000 0.466 181 A N 0.965 123.785 122.820 -0.000 0.000 2.386 181 A HA 0.712 5.032 4.320 0.000 0.000 0.246 181 A C 1.860 179.450 177.584 0.009 0.000 1.089 181 A CA 0.042 52.082 52.037 0.004 0.000 0.790 181 A CB -0.233 18.767 19.000 0.001 0.000 1.042 181 A HN 0.609 nan 8.150 nan 0.000 0.497 182 A N 0.630 123.460 122.820 0.017 0.000 2.206 182 A HA 0.272 4.592 4.320 0.000 0.000 0.211 182 A C 0.931 178.532 177.584 0.029 0.000 1.158 182 A CA 1.145 53.195 52.037 0.022 0.000 0.761 182 A CB -0.338 18.678 19.000 0.027 0.000 0.801 182 A HN 0.949 nan 8.150 nan 0.000 0.473 183 R N -1.688 118.829 120.500 0.028 0.000 2.687 183 R HA 0.476 4.816 4.340 0.000 0.000 0.265 183 R C -0.831 175.479 176.300 0.016 0.000 1.048 183 R CA -0.348 55.773 56.100 0.036 0.000 0.884 183 R CB 0.547 30.885 30.300 0.063 0.000 1.258 183 R HN 0.270 nan 8.270 nan 0.000 0.469 184 V N 0.624 120.541 119.914 0.006 0.000 2.924 184 V HA 0.263 4.383 4.120 0.000 0.000 0.305 184 V C 1.082 177.136 176.094 -0.066 0.000 1.073 184 V CA -0.317 61.950 62.300 -0.054 0.000 1.098 184 V CB 0.132 31.901 31.823 -0.090 0.000 1.000 184 V HN 0.896 nan 8.190 nan 0.000 0.484 185 L N 0.090 121.222 121.223 -0.151 0.000 3.737 185 L HA -0.247 4.093 4.340 0.000 0.000 0.418 185 L C 1.742 178.598 176.870 -0.024 0.000 1.216 185 L CA 1.302 56.040 54.840 -0.169 0.000 0.915 185 L CB -1.747 40.132 42.059 -0.299 0.000 1.834 185 L HN 1.069 nan 8.230 nan 0.000 0.943 186 E N 1.334 121.533 120.200 -0.001 0.000 2.058 186 E HA -0.257 4.093 4.350 0.000 0.000 0.194 186 E C 1.967 178.606 176.600 0.066 0.000 0.997 186 E CA 2.116 58.544 56.400 0.046 0.000 0.801 186 E CB 0.195 29.916 29.700 0.034 0.000 0.746 186 E HN 0.685 nan 8.360 nan 0.000 0.450 187 R N 0.238 120.762 120.500 0.041 0.000 2.193 187 R HA -0.032 4.308 4.340 0.000 0.000 0.213 187 R C 2.200 178.537 176.300 0.063 0.000 1.055 187 R CA 1.237 57.367 56.100 0.049 0.000 0.995 187 R CB -1.114 29.199 30.300 0.022 0.000 0.893 187 R HN 0.308 nan 8.270 nan 0.000 0.459 188 V N -4.706 115.246 119.914 0.063 0.000 3.661 188 V HA 0.331 4.451 4.120 0.000 0.000 0.271 188 V C 0.303 176.434 176.094 0.062 0.000 1.315 188 V CA 0.091 62.432 62.300 0.069 0.000 1.072 188 V CB 0.474 32.376 31.823 0.131 0.000 0.830 188 V HN 0.116 nan 8.190 nan 0.000 0.443 189 T N 1.226 115.849 114.554 0.115 0.000 2.924 189 T HA 0.808 5.158 4.350 0.000 0.000 0.291 189 T C -0.096 174.750 174.700 0.244 0.000 1.045 189 T CA 0.269 62.478 62.100 0.181 0.000 1.015 189 T CB 1.709 70.725 68.868 0.247 0.000 1.103 189 T HN 0.717 nan 8.240 nan 0.000 0.496 190 A N 2.894 125.909 122.820 0.325 0.000 2.322 190 A HA 0.583 4.903 4.320 0.000 0.000 0.269 190 A C -1.600 176.121 177.584 0.229 0.000 1.094 190 A CA -1.333 50.885 52.037 0.302 0.000 0.807 190 A CB -0.078 19.032 19.000 0.185 0.000 1.047 190 A HN 0.570 nan 8.150 nan 0.000 0.487 191 P HA -0.201 nan 4.420 nan 0.000 0.217 191 P C -1.291 176.090 177.300 0.135 0.000 1.162 191 P CA 2.377 65.568 63.100 0.152 0.000 0.901 191 P CB -0.742 31.034 31.700 0.126 0.000 0.793 192 P HA -0.110 nan 4.420 nan 0.000 0.216 192 P C 1.521 178.886 177.300 0.107 0.000 1.150 192 P CA 1.422 64.556 63.100 0.056 0.000 0.837 192 P CB -0.442 31.245 31.700 -0.021 0.000 0.786 193 V N 0.370 120.384 119.914 0.166 0.000 2.358 193 V HA -0.164 3.956 4.120 0.000 0.000 0.246 193 V C 2.830 179.180 176.094 0.427 0.000 1.047 193 V CA 2.166 64.640 62.300 0.289 0.000 1.035 193 V CB -1.486 30.557 31.823 0.366 0.000 0.658 193 V HN 0.162 nan 8.190 nan 0.000 0.452 194 S N 0.206 116.114 115.700 0.347 0.000 2.359 194 S HA -0.196 4.274 4.470 0.000 0.000 0.224 194 S C 2.263 177.040 174.600 0.295 0.000 1.035 194 S CA 1.515 59.914 58.200 0.331 0.000 1.018 194 S CB -0.517 62.804 63.200 0.202 0.000 0.876 194 S HN 0.650 nan 8.310 nan 0.000 0.448 195 A N 1.013 123.964 122.820 0.218 0.000 1.908 195 A HA -0.144 4.176 4.320 0.000 0.000 0.218 195 A C 1.891 179.593 177.584 0.198 0.000 1.181 195 A CA 1.754 53.893 52.037 0.170 0.000 0.627 195 A CB -0.966 18.100 19.000 0.109 0.000 0.818 195 A HN 0.529 nan 8.150 nan 0.000 0.445 196 F N -0.495 119.506 119.950 0.086 0.000 2.065 196 F HA -0.255 4.272 4.527 0.000 0.000 0.298 196 F C 2.138 177.999 175.800 0.102 0.000 1.112 196 F CA 1.983 60.012 58.000 0.050 0.000 1.212 196 F CB -0.686 38.307 39.000 -0.012 0.000 0.975 196 F HN 0.331 nan 8.300 nan 0.000 0.476 197 Y N 0.646 121.016 120.300 0.117 0.000 2.145 197 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 197 Y C 2.580 178.550 175.900 0.116 0.000 1.145 197 Y CA 1.788 59.938 58.100 0.083 0.000 1.148 197 Y CB -0.629 37.976 38.460 0.242 0.000 0.981 197 Y HN 0.146 nan 8.280 nan 0.000 0.507 198 E N -1.004 119.354 120.200 0.264 0.000 2.085 198 E HA -0.279 4.071 4.350 0.000 0.000 0.194 198 E C 2.067 178.737 176.600 0.116 0.000 0.994 198 E CA 1.254 57.757 56.400 0.172 0.000 0.801 198 E CB -0.297 29.482 29.700 0.132 0.000 0.743 198 E HN 0.558 nan 8.360 nan 0.000 0.453 199 H N 1.004 120.064 119.070 -0.017 0.000 2.395 199 H HA -0.040 4.516 4.556 0.000 0.000 0.299 199 H C 2.262 177.497 175.328 -0.154 0.000 1.070 199 H CA 0.764 56.768 56.048 -0.074 0.000 1.356 199 H CB -0.020 29.694 29.762 -0.081 0.000 1.401 199 H HN 0.169 nan 8.280 nan 0.000 0.524 200 L N 0.580 121.655 121.223 -0.247 0.000 1.989 200 L HA -0.228 4.112 4.340 0.000 0.000 0.211 200 L C 2.418 179.040 176.870 -0.414 0.000 1.071 200 L CA 1.696 56.288 54.840 -0.414 0.000 0.749 200 L CB -0.652 41.075 42.059 -0.554 0.000 0.890 200 L HN 0.426 nan 8.230 nan 0.000 0.431 201 H N -0.265 118.728 119.070 -0.128 0.000 2.389 201 H HA -0.095 4.461 4.556 0.000 0.000 0.299 201 H C 2.375 177.624 175.328 -0.131 0.000 1.081 201 H CA 1.260 57.286 56.048 -0.037 0.000 1.345 201 H CB 0.136 29.972 29.762 0.122 0.000 1.393 201 H HN 0.376 nan 8.280 nan 0.000 0.520 202 R N 0.563 121.030 120.500 -0.056 0.000 2.092 202 R HA -0.084 4.256 4.340 0.000 0.000 0.231 202 R C 2.168 178.341 176.300 -0.212 0.000 1.119 202 R CA 0.722 56.754 56.100 -0.112 0.000 0.970 202 R CB 0.165 30.402 30.300 -0.105 0.000 0.864 202 R HN 0.276 nan 8.270 nan 0.000 0.440 203 E N 0.357 120.345 120.200 -0.354 0.000 2.204 203 E HA -0.116 4.234 4.350 0.000 0.000 0.194 203 E C 1.766 178.192 176.600 -0.290 0.000 0.989 203 E CA 1.130 57.319 56.400 -0.352 0.000 0.824 203 E CB -0.014 29.417 29.700 -0.448 0.000 0.756 203 E HN 0.326 nan 8.360 nan 0.000 0.477 204 A N -0.224 122.384 122.820 -0.353 0.000 2.119 204 A HA 0.178 4.498 4.320 0.000 0.000 0.216 204 A C 1.783 179.272 177.584 -0.158 0.000 1.152 204 A CA 1.506 53.336 52.037 -0.345 0.000 0.708 204 A CB 0.029 18.631 19.000 -0.663 0.000 0.805 204 A HN 0.323 nan 8.150 nan 0.000 0.460 205 G N -2.424 106.301 108.800 -0.124 0.000 2.227 205 G HA2 -0.114 3.846 3.960 0.000 0.000 0.168 205 G HA3 -0.114 3.846 3.960 0.000 0.000 0.168 205 G C 0.064 174.917 174.900 -0.078 0.000 1.006 205 G CA -0.088 44.956 45.100 -0.094 0.000 0.684 205 G HN 0.653 nan 8.290 nan 0.000 0.489 206 V N 1.863 121.769 119.914 -0.013 0.000 2.555 206 V HA 0.426 4.546 4.120 0.000 0.000 0.286 206 V C 0.306 176.391 176.094 -0.015 0.000 1.044 206 V CA 0.157 62.468 62.300 0.018 0.000 1.026 206 V CB 1.630 33.536 31.823 0.140 0.000 0.981 206 V HN 0.355 nan 8.190 nan 0.000 0.480 207 D N 5.283 125.660 120.400 -0.038 0.000 2.441 207 D HA 0.263 4.903 4.640 0.000 0.000 0.221 207 D C -0.151 176.149 176.300 -0.001 0.000 1.156 207 D CA -0.173 53.813 54.000 -0.022 0.000 0.896 207 D CB 0.257 41.047 40.800 -0.018 0.000 1.028 207 D HN 0.432 nan 8.370 nan 0.000 0.509 208 I N 4.186 124.758 120.570 0.002 0.000 2.371 208 I HA 0.244 4.414 4.170 0.000 0.000 0.290 208 I C 0.694 176.813 176.117 0.003 0.000 1.028 208 I CA -0.451 60.848 61.300 -0.001 0.000 1.345 208 I CB 0.742 38.743 38.000 0.002 0.000 1.407 208 I HN 0.115 nan 8.210 nan 0.000 0.501 209 R N 4.886 125.386 120.500 -0.000 0.000 2.312 209 R HA 0.281 4.621 4.340 0.000 0.000 0.310 209 R C -0.149 176.151 176.300 -0.001 0.000 1.064 209 R CA -0.526 55.575 56.100 0.003 0.000 0.983 209 R CB 1.287 31.589 30.300 0.004 0.000 1.139 209 R HN 0.655 nan 8.270 nan 0.000 0.536 210 T N -1.750 112.806 114.554 0.004 0.000 2.788 210 T HA 0.273 4.623 4.350 0.000 0.000 0.287 210 T C 1.289 175.991 174.700 0.003 0.000 1.007 210 T CA 0.138 62.240 62.100 0.004 0.000 1.005 210 T CB 1.303 70.178 68.868 0.012 0.000 1.012 210 T HN 0.735 nan 8.240 nan 0.000 0.530 211 G N 0.972 109.773 108.800 0.003 0.000 2.296 211 G HA2 -0.219 3.741 3.960 0.000 0.000 0.282 211 G HA3 -0.219 3.741 3.960 0.000 0.000 0.282 211 G C 0.131 175.029 174.900 -0.002 0.000 1.014 211 G CA 0.453 45.554 45.100 0.002 0.000 0.812 211 G HN 1.073 nan 8.290 nan 0.000 0.508 212 T N 0.575 115.126 114.554 -0.005 0.000 2.824 212 T HA 0.589 4.939 4.350 0.000 0.000 0.280 212 T C -0.052 174.638 174.700 -0.016 0.000 0.995 212 T CA -0.404 61.689 62.100 -0.012 0.000 1.009 212 T CB 1.884 70.744 68.868 -0.012 0.000 0.955 212 T HN 0.260 nan 8.240 nan 0.000 0.452 213 Q N 1.982 121.768 119.800 -0.024 0.000 2.333 213 Q HA 0.472 4.812 4.340 0.000 0.000 0.267 213 Q C -0.942 175.023 176.000 -0.058 0.000 1.012 213 Q CA -0.660 55.126 55.803 -0.030 0.000 0.824 213 Q CB 2.629 31.353 28.738 -0.024 0.000 1.290 213 Q HN 0.412 nan 8.270 nan 0.000 0.449 214 V N 2.536 122.407 119.914 -0.072 0.000 2.461 214 V HA 0.094 4.214 4.120 0.000 0.000 0.275 214 V C 0.906 176.908 176.094 -0.153 0.000 1.047 214 V CA -0.242 61.963 62.300 -0.158 0.000 0.955 214 V CB 0.853 32.550 31.823 -0.209 0.000 0.988 214 V HN 1.038 nan 8.190 nan 0.000 0.471 215 C N 1.687 120.877 119.300 -0.184 0.000 3.255 215 C HA 0.781 5.241 4.460 0.000 0.000 0.282 215 C C 0.672 175.570 174.990 -0.152 0.000 1.441 215 C CA -0.179 58.762 59.018 -0.128 0.000 1.785 215 C CB -0.989 26.702 27.740 -0.083 0.000 2.583 215 C HN 1.098 nan 8.230 nan 0.000 0.615 216 G N -0.033 108.590 108.800 -0.295 0.000 2.377 216 G HA2 0.512 4.472 3.960 0.000 0.000 0.297 216 G HA3 0.512 4.472 3.960 0.000 0.000 0.297 216 G C -1.819 172.806 174.900 -0.458 0.000 1.547 216 G CA -0.432 44.524 45.100 -0.241 0.000 0.833 216 G HN 0.110 nan 8.290 nan 0.000 0.583 217 F N 0.351 120.276 119.950 -0.041 0.000 2.540 217 F HA 0.563 5.090 4.527 0.000 0.000 0.317 217 F C 0.328 176.107 175.800 -0.034 0.000 1.104 217 F CA -0.712 57.263 58.000 -0.041 0.000 0.913 217 F CB 2.711 41.667 39.000 -0.074 0.000 1.170 217 F HN 0.505 nan 8.300 nan 0.000 0.450 218 E N 4.471 124.765 120.200 0.157 0.000 2.197 218 E HA 0.526 4.876 4.350 0.000 0.000 0.281 218 E C -1.101 175.552 176.600 0.088 0.000 0.995 218 E CA -0.395 56.055 56.400 0.085 0.000 0.808 218 E CB 1.015 30.743 29.700 0.047 0.000 1.093 218 E HN 0.627 nan 8.360 nan 0.000 0.394 219 M N 1.858 121.490 119.600 0.052 0.000 2.716 219 M HA 0.267 4.747 4.480 0.000 0.000 0.307 219 M C 0.109 176.421 176.300 0.019 0.000 1.223 219 M CA -1.019 54.300 55.300 0.033 0.000 0.871 219 M CB 2.094 34.702 32.600 0.014 0.000 1.739 219 M HN 0.553 nan 8.290 nan 0.000 0.475 220 S N -0.414 115.293 115.700 0.013 0.000 2.589 220 S HA 0.077 4.547 4.470 0.000 0.000 0.265 220 S C 1.227 175.830 174.600 0.005 0.000 1.342 220 S CA 0.079 58.284 58.200 0.009 0.000 1.005 220 S CB 0.433 63.637 63.200 0.007 0.000 0.909 220 S HN 0.875 nan 8.310 nan 0.000 0.555 221 T N -0.768 113.788 114.554 0.004 0.000 2.665 221 T HA -0.240 4.110 4.350 0.000 0.000 0.268 221 T C 1.110 175.811 174.700 0.000 0.000 1.035 221 T CA 1.655 63.756 62.100 0.002 0.000 1.151 221 T CB -1.158 67.711 68.868 0.002 0.000 0.862 221 T HN 0.847 nan 8.240 nan 0.000 0.438 222 D N 1.081 121.481 120.400 0.000 0.000 2.363 222 D HA -0.050 4.590 4.640 0.000 0.000 0.226 222 D C 1.022 177.320 176.300 -0.003 0.000 1.020 222 D CA 0.208 54.207 54.000 -0.001 0.000 0.892 222 D CB -0.789 40.011 40.800 -0.001 0.000 0.900 222 D HN 0.649 nan 8.370 nan 0.000 0.531 223 Q N -1.311 118.487 119.800 -0.004 0.000 2.480 223 Q HA -0.224 4.116 4.340 0.000 0.000 0.265 223 Q C 0.374 176.367 176.000 -0.013 0.000 1.072 223 Q CA 0.729 56.526 55.803 -0.009 0.000 1.018 223 Q CB -1.163 27.567 28.738 -0.012 0.000 1.433 223 Q HN 0.356 nan 8.270 nan 0.000 0.513 224 Q N -0.011 119.785 119.800 -0.007 0.000 2.408 224 Q HA 0.193 4.533 4.340 0.000 0.000 0.205 224 Q C 0.134 176.133 176.000 -0.002 0.000 0.919 224 Q CA 0.981 56.781 55.803 -0.005 0.000 0.932 224 Q CB 0.633 29.370 28.738 -0.000 0.000 1.058 224 Q HN 0.326 nan 8.270 nan 0.000 0.517 225 K N -0.263 120.136 120.400 -0.002 0.000 2.502 225 K HA 0.441 4.761 4.320 0.000 0.000 0.257 225 K C -1.052 175.552 176.600 0.007 0.000 0.938 225 K CA -0.642 55.648 56.287 0.005 0.000 0.819 225 K CB 3.023 35.529 32.500 0.011 0.000 1.333 225 K HN -0.241 nan 8.250 nan 0.000 0.434 226 V N 2.005 121.929 119.914 0.015 0.000 2.583 226 V HA 0.064 4.184 4.120 0.000 0.000 0.287 226 V C 1.219 177.350 176.094 0.061 0.000 1.051 226 V CA 0.306 62.630 62.300 0.040 0.000 1.010 226 V CB 1.208 33.061 31.823 0.050 0.000 0.988 226 V HN 1.082 nan 8.190 nan 0.000 0.478 227 T N 0.380 114.976 114.554 0.071 0.000 2.971 227 T HA 0.642 4.992 4.350 0.000 0.000 0.252 227 T C 0.248 174.983 174.700 0.059 0.000 1.022 227 T CA 0.459 62.589 62.100 0.051 0.000 0.980 227 T CB 0.566 69.453 68.868 0.032 0.000 1.044 227 T HN 1.116 nan 8.240 nan 0.000 0.501 228 A N 0.313 123.192 122.820 0.098 0.000 2.599 228 A HA 0.654 4.974 4.320 0.000 0.000 0.294 228 A C -1.618 176.039 177.584 0.122 0.000 1.055 228 A CA -0.727 51.359 52.037 0.081 0.000 0.683 228 A CB 1.261 20.280 19.000 0.031 0.000 1.278 228 A HN 0.217 nan 8.150 nan 0.000 0.412 229 V N 1.717 121.659 119.914 0.046 0.000 2.435 229 V HA 0.512 4.632 4.120 0.000 0.000 0.290 229 V C -0.381 175.604 176.094 -0.181 0.000 1.030 229 V CA -0.367 61.865 62.300 -0.113 0.000 0.881 229 V CB 1.352 33.148 31.823 -0.045 0.000 0.983 229 V HN 0.679 nan 8.190 nan 0.000 0.445 230 L N 4.230 125.266 121.223 -0.313 0.000 2.296 230 L HA 0.545 4.885 4.340 0.000 0.000 0.286 230 L C -0.383 176.366 176.870 -0.200 0.000 1.023 230 L CA -0.246 54.472 54.840 -0.203 0.000 0.812 230 L CB 1.435 43.392 42.059 -0.170 0.000 1.223 230 L HN 0.604 nan 8.230 nan 0.000 0.421 231 C N 1.243 120.469 119.300 -0.123 0.000 2.351 231 C HA 0.129 4.589 4.460 0.000 0.000 0.359 231 C C 1.864 176.810 174.990 -0.073 0.000 1.193 231 C CA -0.528 58.432 59.018 -0.097 0.000 2.270 231 C CB 1.531 29.232 27.740 -0.065 0.000 2.369 231 C HN 0.964 nan 8.230 nan 0.000 0.553 232 E N 1.025 121.190 120.200 -0.060 0.000 2.150 232 E HA -0.214 4.136 4.350 0.000 0.000 0.193 232 E C 1.184 177.764 176.600 -0.033 0.000 0.985 232 E CA 1.734 58.108 56.400 -0.044 0.000 0.814 232 E CB -0.034 29.645 29.700 -0.035 0.000 0.752 232 E HN 0.836 nan 8.360 nan 0.000 0.466 233 D N -0.992 119.391 120.400 -0.029 0.000 2.358 233 D HA 0.003 4.643 4.640 0.000 0.000 0.241 233 D C 1.242 177.529 176.300 -0.022 0.000 1.094 233 D CA 0.867 54.854 54.000 -0.021 0.000 0.907 233 D CB 0.084 40.874 40.800 -0.016 0.000 0.893 233 D HN 0.368 nan 8.370 nan 0.000 0.528 234 G N -0.730 108.053 108.800 -0.029 0.000 2.241 234 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 234 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 234 G C 0.520 175.402 174.900 -0.030 0.000 0.998 234 G CA 0.218 45.301 45.100 -0.028 0.000 0.621 234 G HN 0.481 nan 8.290 nan 0.000 0.519 235 T N 1.366 115.902 114.554 -0.029 0.000 2.928 235 T HA 0.381 4.731 4.350 0.000 0.000 0.305 235 T C 0.532 175.210 174.700 -0.037 0.000 1.035 235 T CA 0.580 62.663 62.100 -0.027 0.000 1.145 235 T CB 1.160 70.016 68.868 -0.021 0.000 0.963 235 T HN 0.560 nan 8.240 nan 0.000 0.545 236 R N 3.530 124.012 120.500 -0.029 0.000 2.288 236 R HA 0.416 4.756 4.340 0.000 0.000 0.326 236 R C -1.091 175.196 176.300 -0.023 0.000 0.959 236 R CA -0.610 55.471 56.100 -0.032 0.000 0.834 236 R CB 0.286 30.571 30.300 -0.025 0.000 1.157 236 R HN 0.581 nan 8.270 nan 0.000 0.470 237 L N 7.415 128.624 121.223 -0.023 0.000 2.264 237 L HA 0.452 4.792 4.340 0.000 0.000 0.287 237 L C -1.944 174.922 176.870 -0.005 0.000 1.039 237 L CA -2.219 52.615 54.840 -0.010 0.000 0.829 237 L CB 1.586 43.647 42.059 0.004 0.000 1.211 237 L HN 0.470 nan 8.230 nan 0.000 0.427 238 P HA 0.218 nan 4.420 nan 0.000 0.271 238 P C -0.928 176.360 177.300 -0.020 0.000 1.216 238 P CA -0.101 62.985 63.100 -0.022 0.000 0.771 238 P CB 1.674 33.345 31.700 -0.049 0.000 0.864 239 A N 2.796 125.625 122.820 0.015 0.000 2.486 239 A HA 0.441 4.761 4.320 0.000 0.000 0.300 239 A C 0.315 177.917 177.584 0.030 0.000 1.048 239 A CA -0.522 51.532 52.037 0.028 0.000 0.696 239 A CB 1.125 20.171 19.000 0.076 0.000 1.278 239 A HN 0.416 nan 8.150 nan 0.000 0.405 240 D N 0.014 120.425 120.400 0.018 0.000 2.355 240 D HA 0.198 4.838 4.640 0.000 0.000 0.206 240 D C -0.356 175.955 176.300 0.019 0.000 1.010 240 D CA 0.913 54.922 54.000 0.015 0.000 0.875 240 D CB 0.742 41.545 40.800 0.006 0.000 0.966 240 D HN 0.313 nan 8.370 nan 0.000 0.512 241 L N 0.448 121.684 121.223 0.022 0.000 2.472 241 L HA 0.404 4.744 4.340 0.000 0.000 0.260 241 L C -1.731 175.144 176.870 0.009 0.000 0.963 241 L CA -0.761 54.082 54.840 0.005 0.000 0.829 241 L CB 2.492 44.543 42.059 -0.014 0.000 1.348 241 L HN -0.343 nan 8.230 nan 0.000 0.408 242 V N 5.414 125.310 119.914 -0.030 0.000 2.623 242 V HA 0.578 4.698 4.120 0.000 0.000 0.304 242 V C -0.585 175.311 176.094 -0.330 0.000 1.054 242 V CA -0.408 61.864 62.300 -0.048 0.000 0.882 242 V CB 1.919 33.843 31.823 0.168 0.000 1.002 242 V HN 0.610 nan 8.190 nan 0.000 0.424 243 I N 3.688 124.079 120.570 -0.299 0.000 2.436 243 I HA 0.796 4.966 4.170 0.000 0.000 0.289 243 I C 0.134 176.024 176.117 -0.379 0.000 1.010 243 I CA -0.634 60.412 61.300 -0.423 0.000 1.098 243 I CB 2.048 39.909 38.000 -0.232 0.000 1.266 243 I HN 0.692 nan 8.210 nan 0.000 0.434 244 A N 4.202 126.669 122.820 -0.588 0.000 2.337 244 A HA 0.907 5.227 4.320 0.000 0.000 0.329 244 A C 0.015 177.525 177.584 -0.124 0.000 1.146 244 A CA -0.602 51.230 52.037 -0.341 0.000 0.800 244 A CB 1.405 20.145 19.000 -0.434 0.000 1.220 244 A HN 0.900 nan 8.150 nan 0.000 0.472 245 G N 1.417 110.223 108.800 0.010 0.000 2.562 245 G HA2 0.491 4.451 3.960 0.000 0.000 0.298 245 G HA3 0.491 4.451 3.960 0.000 0.000 0.298 245 G C -0.385 174.551 174.900 0.059 0.000 1.499 245 G CA -0.089 45.050 45.100 0.065 0.000 1.036 245 G HN 1.279 nan 8.290 nan 0.000 0.543 246 I N 0.394 121.026 120.570 0.104 0.000 3.283 246 I HA 0.676 4.846 4.170 0.000 0.000 0.342 246 I C 0.586 176.729 176.117 0.044 0.000 1.510 246 I CA -0.305 61.036 61.300 0.068 0.000 1.006 246 I CB 0.460 38.516 38.000 0.093 0.000 1.596 246 I HN 0.813 nan 8.210 nan 0.000 0.509 247 G N 1.415 110.230 108.800 0.025 0.000 2.612 247 G HA2 0.005 3.965 3.960 0.000 0.000 0.686 247 G HA3 0.005 3.965 3.960 0.000 0.000 0.686 247 G C -1.753 173.142 174.900 -0.008 0.000 1.274 247 G CA -0.635 44.464 45.100 -0.001 0.000 0.849 247 G HN 0.360 nan 8.290 nan 0.000 0.595 248 L N -0.128 121.078 121.223 -0.029 0.000 2.330 248 L HA 0.890 5.230 4.340 0.000 0.000 0.271 248 L C 0.112 176.958 176.870 -0.040 0.000 1.013 248 L CA -1.058 53.758 54.840 -0.040 0.000 0.816 248 L CB 1.682 43.711 42.059 -0.051 0.000 1.287 248 L HN 0.601 nan 8.230 nan 0.000 0.435 249 I N 4.854 125.397 120.570 -0.046 0.000 2.355 249 I HA 0.355 4.525 4.170 0.000 0.000 0.288 249 I C -2.160 173.933 176.117 -0.039 0.000 0.999 249 I CA -1.968 59.307 61.300 -0.041 0.000 1.163 249 I CB 1.688 39.661 38.000 -0.046 0.000 1.316 249 I HN 0.469 nan 8.210 nan 0.000 0.454 250 P HA 0.004 nan 4.420 nan 0.000 0.264 250 P C -0.836 176.447 177.300 -0.028 0.000 1.193 250 P CA -0.145 62.939 63.100 -0.026 0.000 0.763 250 P CB 0.280 31.970 31.700 -0.016 0.000 0.810 251 N N 2.673 121.356 118.700 -0.030 0.000 2.549 251 N HA 0.025 4.765 4.740 0.000 0.000 0.267 251 N C 0.091 175.586 175.510 -0.025 0.000 1.182 251 N CA 0.133 53.165 53.050 -0.030 0.000 1.019 251 N CB -0.315 38.152 38.487 -0.034 0.000 1.380 251 N HN 0.428 nan 8.380 nan 0.000 0.505 252 C N 0.462 119.748 119.300 -0.023 0.000 3.070 252 C HA 0.137 4.598 4.460 0.000 0.000 0.280 252 C C 1.977 176.955 174.990 -0.020 0.000 1.264 252 C CA -0.389 58.617 59.018 -0.020 0.000 1.690 252 C CB -0.171 27.558 27.740 -0.018 0.000 2.049 252 C HN 0.521 nan 8.230 nan 0.000 0.636 253 E N 2.064 122.251 120.200 -0.021 0.000 2.114 253 E HA -0.209 4.141 4.350 0.000 0.000 0.199 253 E C 1.916 178.507 176.600 -0.016 0.000 1.008 253 E CA 1.214 57.603 56.400 -0.019 0.000 0.810 253 E CB -0.449 29.239 29.700 -0.019 0.000 0.739 253 E HN 0.577 nan 8.360 nan 0.000 0.456 254 L N -0.160 121.052 121.223 -0.017 0.000 1.989 254 L HA -0.261 4.079 4.340 0.000 0.000 0.211 254 L C 2.350 179.212 176.870 -0.013 0.000 1.071 254 L CA 1.405 56.236 54.840 -0.015 0.000 0.749 254 L CB -0.577 41.469 42.059 -0.021 0.000 0.890 254 L HN 0.221 nan 8.230 nan 0.000 0.431 255 A N -0.725 122.085 122.820 -0.016 0.000 1.851 255 A HA -0.246 4.074 4.320 0.000 0.000 0.216 255 A C 2.446 180.025 177.584 -0.010 0.000 1.195 255 A CA 2.253 54.282 52.037 -0.012 0.000 0.622 255 A CB -0.890 18.102 19.000 -0.013 0.000 0.831 255 A HN 0.423 nan 8.150 nan 0.000 0.444 256 S N -0.126 115.567 115.700 -0.013 0.000 2.368 256 S HA -0.228 4.242 4.470 0.000 0.000 0.226 256 S C 2.322 176.917 174.600 -0.009 0.000 1.044 256 S CA 1.747 59.939 58.200 -0.013 0.000 1.062 256 S CB -0.716 62.475 63.200 -0.016 0.000 0.931 256 S HN 0.895 nan 8.310 nan 0.000 0.440 257 A N 1.259 124.075 122.820 -0.007 0.000 1.908 257 A HA 0.053 4.373 4.320 0.000 0.000 0.218 257 A C 2.166 179.752 177.584 0.002 0.000 1.181 257 A CA 1.793 53.828 52.037 -0.003 0.000 0.627 257 A CB -0.918 18.080 19.000 -0.002 0.000 0.818 257 A HN 0.584 nan 8.150 nan 0.000 0.445 258 A N -1.829 120.994 122.820 0.005 0.000 2.252 258 A HA 0.408 4.728 4.320 0.000 0.000 0.207 258 A C 1.769 179.360 177.584 0.012 0.000 1.194 258 A CA 1.169 53.214 52.037 0.014 0.000 0.809 258 A CB -1.130 17.883 19.000 0.021 0.000 0.814 258 A HN 1.961 nan 8.150 nan 0.000 0.482 259 G N -1.192 107.611 108.800 0.004 0.000 2.159 259 G HA2 -0.229 3.731 3.960 0.000 0.000 0.256 259 G HA3 -0.229 3.731 3.960 0.000 0.000 0.256 259 G C 0.146 175.046 174.900 -0.001 0.000 0.977 259 G CA 0.330 45.431 45.100 0.001 0.000 0.652 259 G HN 0.466 nan 8.290 nan 0.000 0.531 260 L N 0.219 121.442 121.223 -0.000 0.000 2.452 260 L HA 0.316 4.656 4.340 0.000 0.000 0.267 260 L C 1.246 178.108 176.870 -0.013 0.000 1.188 260 L CA -0.434 54.405 54.840 -0.001 0.000 0.821 260 L CB 0.627 42.687 42.059 0.001 0.000 1.102 260 L HN 0.285 nan 8.230 nan 0.000 0.470 261 Q N 1.452 121.241 119.800 -0.018 0.000 2.311 261 Q HA 0.284 4.624 4.340 0.000 0.000 0.272 261 Q C -1.235 174.738 176.000 -0.045 0.000 1.012 261 Q CA -0.083 55.695 55.803 -0.041 0.000 0.891 261 Q CB 1.005 29.708 28.738 -0.059 0.000 1.201 261 Q HN 0.417 nan 8.270 nan 0.000 0.391 262 V N 3.746 123.627 119.914 -0.055 0.000 2.962 262 V HA 0.437 4.557 4.120 0.000 0.000 0.313 262 V C -0.847 175.204 176.094 -0.072 0.000 1.099 262 V CA -0.634 61.636 62.300 -0.051 0.000 0.971 262 V CB 2.221 34.023 31.823 -0.034 0.000 1.028 262 V HN 0.894 nan 8.190 nan 0.000 0.430 263 D N 3.613 123.972 120.400 -0.068 0.000 2.349 263 D HA 0.063 4.703 4.640 0.000 0.000 0.224 263 D C -0.017 176.252 176.300 -0.053 0.000 1.323 263 D CA -0.222 53.731 54.000 -0.079 0.000 0.917 263 D CB 0.293 41.011 40.800 -0.137 0.000 1.524 263 D HN 0.817 nan 8.370 nan 0.000 0.505 264 N N 2.413 121.091 118.700 -0.037 0.000 2.714 264 N HA -0.211 4.529 4.740 0.000 0.000 0.252 264 N C 0.005 175.509 175.510 -0.010 0.000 1.014 264 N CA 1.084 54.120 53.050 -0.024 0.000 0.735 264 N CB -0.929 37.544 38.487 -0.023 0.000 0.924 264 N HN 0.809 nan 8.380 nan 0.000 0.540 265 G N -0.221 108.574 108.800 -0.008 0.000 2.334 265 G HA2 0.084 4.044 3.960 0.000 0.000 0.566 265 G HA3 0.084 4.044 3.960 0.000 0.000 0.566 265 G C -0.612 174.295 174.900 0.012 0.000 1.413 265 G CA -0.516 44.590 45.100 0.011 0.000 0.993 265 G HN 0.288 nan 8.290 nan 0.000 0.642 266 I N 0.919 121.504 120.570 0.026 0.000 2.452 266 I HA 0.258 4.428 4.170 0.000 0.000 0.287 266 I C 1.003 177.157 176.117 0.063 0.000 1.079 266 I CA -0.668 60.647 61.300 0.025 0.000 1.387 266 I CB 1.088 39.100 38.000 0.019 0.000 1.404 266 I HN 0.289 nan 8.210 nan 0.000 0.522 267 V N 7.907 127.846 119.914 0.042 0.000 2.637 267 V HA 0.262 4.382 4.120 0.000 0.000 0.296 267 V C 0.274 176.459 176.094 0.151 0.000 1.046 267 V CA -0.049 62.303 62.300 0.086 0.000 1.066 267 V CB 0.893 32.678 31.823 -0.063 0.000 0.968 267 V HN 0.586 nan 8.190 nan 0.000 0.483 268 I N 1.935 122.677 120.570 0.287 0.000 2.865 268 I HA 0.601 4.771 4.170 0.000 0.000 0.302 268 I C -0.164 176.146 176.117 0.321 0.000 1.140 268 I CA -0.948 60.499 61.300 0.245 0.000 1.021 268 I CB 2.220 40.328 38.000 0.180 0.000 1.233 268 I HN 0.729 nan 8.210 nan 0.000 0.427 269 N N 3.037 121.861 118.700 0.208 0.000 2.418 269 N HA 0.146 4.886 4.740 0.000 0.000 0.283 269 N C 0.613 176.129 175.510 0.010 0.000 1.267 269 N CA -0.590 52.548 53.050 0.147 0.000 0.975 269 N CB 0.622 39.180 38.487 0.119 0.000 1.167 269 N HN 0.794 nan 8.380 nan 0.000 0.581 270 E N 0.093 120.195 120.200 -0.164 0.000 2.396 270 E HA -0.238 4.112 4.350 0.000 0.000 0.200 270 E C 0.156 176.536 176.600 -0.367 0.000 1.023 270 E CA 1.502 57.726 56.400 -0.293 0.000 0.857 270 E CB -0.674 28.787 29.700 -0.397 0.000 0.775 270 E HN 0.711 nan 8.360 nan 0.000 0.525 271 H N 0.181 119.280 119.070 0.048 0.000 2.487 271 H HA 0.269 4.825 4.556 0.000 0.000 0.290 271 H C 0.278 175.620 175.328 0.024 0.000 1.081 271 H CA 0.088 56.155 56.048 0.031 0.000 1.116 271 H CB 0.425 30.209 29.762 0.036 0.000 1.560 271 H HN -0.090 nan 8.280 nan 0.000 0.548 272 M N -0.513 119.128 119.600 0.068 0.000 2.908 272 M HA -0.258 4.222 4.480 0.000 0.000 0.191 272 M C -0.512 175.828 176.300 0.066 0.000 0.619 272 M CA 0.798 56.127 55.300 0.048 0.000 0.709 272 M CB -2.463 30.145 32.600 0.013 0.000 2.554 272 M HN 0.486 nan 8.290 nan 0.000 0.356 273 Q N 0.573 120.433 119.800 0.100 0.000 2.230 273 Q HA 0.601 4.941 4.340 0.000 0.000 0.248 273 Q C 1.131 177.184 176.000 0.089 0.000 0.915 273 Q CA 0.086 55.942 55.803 0.088 0.000 0.900 273 Q CB 1.293 30.096 28.738 0.108 0.000 1.229 273 Q HN 0.486 nan 8.270 nan 0.000 0.439 274 T N -2.163 112.429 114.554 0.063 0.000 2.891 274 T HA 0.153 4.503 4.350 0.000 0.000 0.294 274 T C 1.185 175.919 174.700 0.056 0.000 1.065 274 T CA -0.334 61.800 62.100 0.057 0.000 0.936 274 T CB 0.387 69.273 68.868 0.030 0.000 1.415 274 T HN 0.463 nan 8.240 nan 0.000 0.572 275 S N 0.584 116.308 115.700 0.040 0.000 2.419 275 S HA -0.061 4.409 4.470 0.000 0.000 0.235 275 S C 0.762 175.387 174.600 0.042 0.000 1.019 275 S CA 1.119 59.340 58.200 0.036 0.000 0.982 275 S CB -0.567 62.644 63.200 0.019 0.000 0.789 275 S HN 0.814 nan 8.310 nan 0.000 0.490 276 D N 0.937 121.363 120.400 0.043 0.000 2.317 276 D HA 0.242 4.882 4.640 0.000 0.000 0.234 276 D C -2.056 174.279 176.300 0.059 0.000 1.112 276 D CA -2.522 51.510 54.000 0.053 0.000 0.840 276 D CB 1.545 42.380 40.800 0.058 0.000 1.078 276 D HN -0.091 nan 8.370 nan 0.000 0.486 277 P HA -0.105 nan 4.420 nan 0.000 0.217 277 P C 1.227 178.569 177.300 0.070 0.000 1.148 277 P CA 1.043 64.183 63.100 0.067 0.000 0.828 277 P CB 0.225 31.962 31.700 0.061 0.000 0.783 278 L N -2.199 119.077 121.223 0.088 0.000 2.591 278 L HA 0.132 4.472 4.340 0.000 0.000 0.228 278 L C 0.870 177.773 176.870 0.056 0.000 1.133 278 L CA 0.129 55.036 54.840 0.112 0.000 0.880 278 L CB -0.327 41.856 42.059 0.206 0.000 1.033 278 L HN -0.060 nan 8.230 nan 0.000 0.450 279 I N 0.255 120.835 120.570 0.018 0.000 2.418 279 I HA 0.311 4.481 4.170 0.000 0.000 0.287 279 I C -0.251 175.847 176.117 -0.031 0.000 1.008 279 I CA -0.162 61.104 61.300 -0.057 0.000 1.104 279 I CB 1.808 39.772 38.000 -0.060 0.000 1.264 279 I HN 0.003 nan 8.210 nan 0.000 0.438 280 M N 4.514 124.081 119.600 -0.056 0.000 2.706 280 M HA 0.822 5.302 4.480 0.000 0.000 0.304 280 M C -0.286 175.990 176.300 -0.040 0.000 1.217 280 M CA -0.589 54.693 55.300 -0.030 0.000 0.922 280 M CB 2.238 34.817 32.600 -0.035 0.000 1.637 280 M HN 0.642 nan 8.290 nan 0.000 0.492 281 A N 0.735 123.545 122.820 -0.016 0.000 2.479 281 A HA 0.959 5.279 4.320 0.000 0.000 0.296 281 A C -1.546 176.026 177.584 -0.020 0.000 1.121 281 A CA -0.778 51.250 52.037 -0.015 0.000 0.743 281 A CB 2.083 21.092 19.000 0.015 0.000 1.323 281 A HN 0.697 nan 8.150 nan 0.000 0.415 282 V N -0.070 119.829 119.914 -0.026 0.000 3.108 282 V HA 0.684 4.804 4.120 0.000 0.000 0.287 282 V C 0.210 176.281 176.094 -0.037 0.000 1.436 282 V CA 1.267 63.542 62.300 -0.042 0.000 1.001 282 V CB 1.450 33.238 31.823 -0.059 0.000 1.141 282 V HN 2.995 nan 8.190 nan 0.000 0.443 283 G N 5.067 113.841 108.800 -0.043 0.000 2.508 283 G HA2 -0.165 3.795 3.960 0.000 0.000 0.220 283 G HA3 -0.165 3.795 3.960 0.000 0.000 0.220 283 G C 0.114 175.006 174.900 -0.013 0.000 1.287 283 G CA 0.519 45.596 45.100 -0.039 0.000 0.916 283 G HN 0.969 nan 8.290 nan 0.000 0.574 284 D N -0.087 120.296 120.400 -0.029 0.000 2.221 284 D HA -0.122 4.518 4.640 0.000 0.000 0.204 284 D C 2.538 178.837 176.300 -0.001 0.000 0.982 284 D CA 2.228 56.213 54.000 -0.024 0.000 0.857 284 D CB -0.563 40.207 40.800 -0.050 0.000 0.934 284 D HN 0.959 nan 8.370 nan 0.000 0.475 285 C N -0.122 119.178 119.300 -0.001 0.000 2.514 285 C HA 0.574 5.034 4.460 0.000 0.000 0.271 285 C C 1.296 176.311 174.990 0.041 0.000 1.399 285 C CA -0.494 58.529 59.018 0.008 0.000 1.765 285 C CB -0.974 26.761 27.740 -0.008 0.000 1.893 285 C HN 0.140 nan 8.230 nan 0.000 0.531 286 A N 1.360 124.223 122.820 0.072 0.000 2.328 286 A HA 0.650 4.970 4.320 0.000 0.000 0.284 286 A C 0.093 177.823 177.584 0.242 0.000 1.160 286 A CA -0.259 51.861 52.037 0.137 0.000 0.818 286 A CB 0.201 19.274 19.000 0.122 0.000 1.087 286 A HN 0.658 nan 8.150 nan 0.000 0.504 287 R N 2.451 123.096 120.500 0.242 0.000 2.215 287 R HA 0.600 4.940 4.340 0.000 0.000 0.336 287 R C -1.086 175.497 176.300 0.473 0.000 0.996 287 R CA -0.324 55.936 56.100 0.266 0.000 0.847 287 R CB -0.076 30.318 30.300 0.157 0.000 1.127 287 R HN 0.696 nan 8.270 nan 0.000 0.465 288 F N 0.295 120.420 119.950 0.293 0.000 2.620 288 F HA 0.505 5.032 4.527 0.000 0.000 0.320 288 F C -0.859 174.897 175.800 -0.074 0.000 1.069 288 F CA -1.599 56.527 58.000 0.210 0.000 0.953 288 F CB 1.080 40.114 39.000 0.056 0.000 1.322 288 F HN 0.531 nan 8.300 nan 0.000 0.479 289 H N 0.947 119.624 119.070 -0.655 0.000 2.668 289 H HA 0.383 4.939 4.556 0.000 0.000 0.303 289 H C -0.556 174.546 175.328 -0.376 0.000 1.074 289 H CA -0.056 55.347 56.048 -1.076 0.000 1.406 289 H CB 1.066 29.963 29.762 -1.441 0.000 1.442 289 H HN 0.783 nan 8.280 nan 0.000 0.482 290 S N 3.937 119.141 115.700 -0.828 0.000 2.465 290 S HA 0.052 4.522 4.470 0.000 0.000 0.279 290 S C 1.214 175.521 174.600 -0.488 0.000 1.201 290 S CA -0.471 57.510 58.200 -0.364 0.000 1.053 290 S CB 0.925 64.037 63.200 -0.147 0.000 0.953 290 S HN 0.941 nan 8.310 nan 0.000 0.488 291 Q N 3.688 123.365 119.800 -0.205 0.000 2.020 291 Q HA -0.036 4.304 4.340 0.000 0.000 0.202 291 Q C 1.845 177.748 176.000 -0.162 0.000 0.982 291 Q CA 1.817 57.539 55.803 -0.136 0.000 0.838 291 Q CB -0.200 28.512 28.738 -0.044 0.000 0.899 291 Q HN 0.881 nan 8.270 nan 0.000 0.423 292 L N -0.917 120.199 121.223 -0.179 0.000 2.081 292 L HA -0.231 4.109 4.340 0.000 0.000 0.212 292 L C 1.476 177.997 176.870 -0.582 0.000 1.080 292 L CA 1.379 55.999 54.840 -0.366 0.000 0.754 292 L CB -0.254 41.542 42.059 -0.438 0.000 0.893 292 L HN 0.363 nan 8.230 nan 0.000 0.433 293 Y N -1.974 118.264 120.300 -0.103 0.000 2.467 293 Y HA 0.068 4.618 4.550 0.000 0.000 0.250 293 Y C 0.578 176.399 175.900 -0.131 0.000 1.155 293 Y CA -0.384 57.660 58.100 -0.093 0.000 1.249 293 Y CB 0.163 38.572 38.460 -0.086 0.000 1.146 293 Y HN 0.119 nan 8.280 nan 0.000 0.524 294 D N 1.595 121.903 120.400 -0.153 0.000 2.689 294 D HA -0.230 4.410 4.640 0.000 0.000 0.237 294 D C -0.099 176.160 176.300 -0.068 0.000 1.148 294 D CA 1.034 54.951 54.000 -0.138 0.000 0.656 294 D CB -0.532 40.289 40.800 0.035 0.000 1.050 294 D HN 0.664 nan 8.370 nan 0.000 0.426 295 R N -1.434 118.880 120.500 -0.309 0.000 2.716 295 R HA 0.629 4.969 4.340 0.000 0.000 0.271 295 R C -1.240 174.903 176.300 -0.261 0.000 1.028 295 R CA -1.186 54.862 56.100 -0.086 0.000 0.883 295 R CB 0.347 30.666 30.300 0.031 0.000 1.250 295 R HN 0.001 nan 8.270 nan 0.000 0.465 296 W N 2.009 123.298 121.300 -0.018 0.000 2.272 296 W HA 0.479 5.139 4.660 0.000 0.000 0.318 296 W C 0.247 176.630 176.519 -0.227 0.000 1.255 296 W CA 0.178 57.459 57.345 -0.106 0.000 1.200 296 W CB 1.574 31.023 29.460 -0.018 0.000 1.170 296 W HN 0.554 nan 8.180 nan 0.000 0.549 297 V N 0.922 120.694 119.914 -0.237 0.000 3.182 297 V HA 0.731 4.851 4.120 0.000 0.000 0.308 297 V C -1.184 174.728 176.094 -0.303 0.000 1.240 297 V CA -1.848 60.271 62.300 -0.301 0.000 1.063 297 V CB 2.262 33.827 31.823 -0.430 0.000 1.076 297 V HN 0.556 nan 8.190 nan 0.000 0.446 298 R N 1.626 122.050 120.500 -0.127 0.000 2.531 298 R HA 0.640 4.980 4.340 0.000 0.000 0.293 298 R C -1.771 174.550 176.300 0.035 0.000 1.124 298 R CA -0.588 55.528 56.100 0.027 0.000 0.945 298 R CB 1.355 31.675 30.300 0.034 0.000 1.195 298 R HN 0.812 nan 8.270 nan 0.000 0.433 299 I N 3.261 123.915 120.570 0.139 0.000 2.385 299 I HA 0.263 4.433 4.170 0.000 0.000 0.294 299 I C -0.034 176.077 176.117 -0.010 0.000 0.988 299 I CA -0.459 60.875 61.300 0.057 0.000 1.265 299 I CB 1.779 39.856 38.000 0.129 0.000 1.388 299 I HN 0.660 nan 8.210 nan 0.000 0.480 300 E N 4.667 124.805 120.200 -0.105 0.000 2.256 300 E HA 0.428 4.778 4.350 0.000 0.000 0.243 300 E C -0.689 175.777 176.600 -0.223 0.000 0.925 300 E CA -0.331 55.985 56.400 -0.141 0.000 0.748 300 E CB 1.193 30.803 29.700 -0.149 0.000 1.206 300 E HN 0.689 nan 8.360 nan 0.000 0.428 301 S N -0.430 115.159 115.700 -0.185 0.000 2.595 301 S HA 0.213 4.683 4.470 0.000 0.000 0.270 301 S C 0.458 174.948 174.600 -0.184 0.000 1.145 301 S CA -0.809 57.252 58.200 -0.232 0.000 0.825 301 S CB 1.137 64.200 63.200 -0.228 0.000 1.107 301 S HN 0.068 nan 8.310 nan 0.000 0.461 302 V N 1.542 121.336 119.914 -0.200 0.000 2.270 302 V HA 0.008 4.128 4.120 0.000 0.000 0.245 302 V C -0.916 175.109 176.094 -0.115 0.000 1.043 302 V CA 1.990 64.237 62.300 -0.088 0.000 1.014 302 V CB -1.702 30.164 31.823 0.073 0.000 0.645 302 V HN 0.759 nan 8.190 nan 0.000 0.447 303 P HA -0.173 nan 4.420 nan 0.000 0.216 303 P C 1.578 178.758 177.300 -0.200 0.000 1.150 303 P CA 1.649 64.516 63.100 -0.387 0.000 0.837 303 P CB -0.182 30.806 31.700 -1.187 0.000 0.786 304 N N -0.301 118.293 118.700 -0.177 0.000 2.142 304 N HA -0.149 4.591 4.740 0.000 0.000 0.186 304 N C 1.603 177.053 175.510 -0.099 0.000 1.023 304 N CA 1.411 54.399 53.050 -0.103 0.000 0.852 304 N CB -0.273 38.179 38.487 -0.059 0.000 0.998 304 N HN -0.029 nan 8.380 nan 0.000 0.424 305 A N 1.780 124.547 122.820 -0.088 0.000 1.902 305 A HA -0.046 4.274 4.320 0.000 0.000 0.217 305 A C 2.460 180.009 177.584 -0.058 0.000 1.181 305 A CA 0.777 52.771 52.037 -0.072 0.000 0.623 305 A CB -0.684 18.279 19.000 -0.063 0.000 0.818 305 A HN 0.317 nan 8.150 nan 0.000 0.443 306 L N -0.838 120.359 121.223 -0.043 0.000 2.017 306 L HA -0.219 4.121 4.340 0.000 0.000 0.208 306 L C 2.723 179.579 176.870 -0.022 0.000 1.073 306 L CA 1.972 56.801 54.840 -0.018 0.000 0.745 306 L CB -0.621 41.444 42.059 0.010 0.000 0.894 306 L HN 0.639 nan 8.230 nan 0.000 0.432 307 E N 0.075 120.257 120.200 -0.031 0.000 2.085 307 E HA -0.289 4.061 4.350 0.000 0.000 0.194 307 E C 2.184 178.741 176.600 -0.072 0.000 0.994 307 E CA 1.508 57.888 56.400 -0.033 0.000 0.801 307 E CB 0.020 29.701 29.700 -0.031 0.000 0.743 307 E HN 0.506 nan 8.360 nan 0.000 0.453 308 Q N -0.264 119.469 119.800 -0.111 0.000 2.079 308 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 308 Q C 2.192 178.141 176.000 -0.085 0.000 0.974 308 Q CA 1.197 56.919 55.803 -0.134 0.000 0.840 308 Q CB -0.095 28.541 28.738 -0.170 0.000 0.898 308 Q HN 0.372 nan 8.270 nan 0.000 0.430 309 A N 1.320 124.101 122.820 -0.064 0.000 1.858 309 A HA -0.218 4.102 4.320 0.000 0.000 0.216 309 A C 1.994 179.557 177.584 -0.035 0.000 1.190 309 A CA 1.466 53.474 52.037 -0.048 0.000 0.617 309 A CB -0.459 18.520 19.000 -0.033 0.000 0.827 309 A HN 0.217 nan 8.150 nan 0.000 0.443 310 R N -0.500 119.987 120.500 -0.022 0.000 2.105 310 R HA -0.144 4.196 4.340 0.000 0.000 0.239 310 R C 2.365 178.659 176.300 -0.010 0.000 1.135 310 R CA 1.674 57.770 56.100 -0.007 0.000 0.967 310 R CB -0.282 30.021 30.300 0.006 0.000 0.861 310 R HN 0.627 nan 8.270 nan 0.000 0.442 311 K N 1.095 121.480 120.400 -0.024 0.000 2.057 311 K HA -0.118 4.202 4.320 0.000 0.000 0.207 311 K C 1.994 178.586 176.600 -0.014 0.000 1.049 311 K CA 1.282 57.557 56.287 -0.020 0.000 0.931 311 K CB -0.033 32.440 32.500 -0.045 0.000 0.714 311 K HN 0.104 nan 8.250 nan 0.000 0.440 312 I N 0.942 121.493 120.570 -0.032 0.000 2.226 312 I HA -0.265 3.905 4.170 0.000 0.000 0.245 312 I C 2.433 178.527 176.117 -0.039 0.000 1.100 312 I CA 1.141 62.418 61.300 -0.038 0.000 1.374 312 I CB -0.316 37.646 38.000 -0.064 0.000 1.057 312 I HN 0.289 nan 8.210 nan 0.000 0.413 313 A N 0.684 123.481 122.820 -0.038 0.000 1.902 313 A HA -0.185 4.135 4.320 0.000 0.000 0.217 313 A C 2.533 180.129 177.584 0.020 0.000 1.181 313 A CA 1.887 53.908 52.037 -0.026 0.000 0.623 313 A CB -0.814 18.179 19.000 -0.012 0.000 0.818 313 A HN 0.438 nan 8.150 nan 0.000 0.443 314 A N 0.155 122.989 122.820 0.024 0.000 1.845 314 A HA -0.107 4.213 4.320 0.000 0.000 0.215 314 A C 2.139 179.754 177.584 0.052 0.000 1.195 314 A CA 1.583 53.644 52.037 0.041 0.000 0.616 314 A CB -0.710 18.309 19.000 0.033 0.000 0.832 314 A HN 0.492 nan 8.150 nan 0.000 0.443 315 I N -0.874 119.723 120.570 0.044 0.000 2.163 315 I HA -0.251 3.919 4.170 0.000 0.000 0.243 315 I C 2.273 178.430 176.117 0.067 0.000 1.085 315 I CA 1.089 62.420 61.300 0.053 0.000 1.347 315 I CB -0.379 37.654 38.000 0.056 0.000 1.044 315 I HN 0.225 nan 8.210 nan 0.000 0.408 316 L N 0.086 121.346 121.223 0.061 0.000 2.201 316 L HA -0.167 4.173 4.340 0.000 0.000 0.212 316 L C 1.980 179.007 176.870 0.262 0.000 1.105 316 L CA 1.497 56.405 54.840 0.113 0.000 0.775 316 L CB -0.755 41.274 42.059 -0.050 0.000 0.913 316 L HN 0.348 nan 8.230 nan 0.000 0.440 317 C N -0.209 119.211 119.300 0.200 0.000 2.614 317 C HA 0.469 4.929 4.460 0.000 0.000 0.299 317 C C 1.581 176.643 174.990 0.119 0.000 1.293 317 C CA -0.076 59.069 59.018 0.211 0.000 1.713 317 C CB -1.635 26.212 27.740 0.180 0.000 1.890 317 C HN 0.744 nan 8.230 nan 0.000 0.602 318 G N 2.105 110.964 108.800 0.099 0.000 2.323 318 G HA2 -0.243 3.717 3.960 0.000 0.000 0.292 318 G HA3 -0.243 3.717 3.960 0.000 0.000 0.292 318 G C -0.114 174.814 174.900 0.047 0.000 1.040 318 G CA 0.391 45.527 45.100 0.060 0.000 0.942 318 G HN 0.629 nan 8.290 nan 0.000 0.506 319 K N -1.420 119.010 120.400 0.051 0.000 2.313 319 K HA 0.658 4.978 4.320 0.000 0.000 0.235 319 K C 0.139 176.762 176.600 0.038 0.000 1.035 319 K CA -1.076 55.236 56.287 0.042 0.000 0.868 319 K CB 2.064 34.591 32.500 0.045 0.000 1.232 319 K HN -0.004 nan 8.250 nan 0.000 0.459 320 V N 4.041 123.975 119.914 0.034 0.000 2.372 320 V HA 0.130 4.250 4.120 0.000 0.000 0.261 320 V C -1.773 174.340 176.094 0.033 0.000 1.055 320 V CA -1.355 60.965 62.300 0.033 0.000 0.930 320 V CB 0.010 31.849 31.823 0.028 0.000 1.031 320 V HN 0.679 nan 8.190 nan 0.000 0.479 321 P HA 0.235 nan 4.420 nan 0.000 0.271 321 P C -0.001 177.313 177.300 0.024 0.000 1.218 321 P CA -0.441 62.677 63.100 0.030 0.000 0.780 321 P CB 0.964 32.684 31.700 0.034 0.000 0.901 322 R N 1.026 121.538 120.500 0.019 0.000 2.774 322 R HA 0.120 4.460 4.340 0.000 0.000 0.269 322 R C 0.354 176.663 176.300 0.014 0.000 1.068 322 R CA -0.266 55.845 56.100 0.018 0.000 1.180 322 R CB 0.153 30.465 30.300 0.020 0.000 1.077 322 R HN 0.522 nan 8.270 nan 0.000 0.513 323 D N 1.476 121.885 120.400 0.015 0.000 2.362 323 D HA -0.034 4.606 4.640 0.000 0.000 0.242 323 D C 0.073 176.380 176.300 0.012 0.000 1.132 323 D CA 0.069 54.076 54.000 0.011 0.000 0.907 323 D CB 0.566 41.372 40.800 0.009 0.000 1.195 323 D HN 0.377 nan 8.370 nan 0.000 0.429 324 E N 0.010 120.216 120.200 0.009 0.000 2.529 324 E HA 0.208 4.558 4.350 0.000 0.000 0.259 324 E C -1.044 175.580 176.600 0.039 0.000 0.966 324 E CA -0.314 56.097 56.400 0.018 0.000 0.937 324 E CB 0.469 30.183 29.700 0.023 0.000 0.923 324 E HN 0.408 nan 8.360 nan 0.000 0.468 325 A N 3.594 126.454 122.820 0.066 0.000 2.325 325 A HA 0.647 4.967 4.320 0.000 0.000 0.333 325 A C -0.309 177.370 177.584 0.158 0.000 1.155 325 A CA -0.129 51.969 52.037 0.102 0.000 0.814 325 A CB 1.381 20.460 19.000 0.132 0.000 1.206 325 A HN 0.793 nan 8.150 nan 0.000 0.482 326 A N 3.049 125.968 122.820 0.165 0.000 2.540 326 A HA 0.519 4.839 4.320 0.000 0.000 0.239 326 A C -2.036 175.758 177.584 0.350 0.000 1.061 326 A CA -0.777 51.401 52.037 0.236 0.000 0.758 326 A CB -0.559 18.548 19.000 0.179 0.000 0.991 326 A HN 0.632 nan 8.150 nan 0.000 0.502 327 P HA 0.316 nan 4.420 nan 0.000 0.275 327 P C -0.537 177.050 177.300 0.477 0.000 1.227 327 P CA 0.053 63.359 63.100 0.342 0.000 0.781 327 P CB 0.637 32.497 31.700 0.267 0.000 0.906 328 W N 3.051 124.505 121.300 0.256 0.000 2.959 328 W HA 0.660 5.320 4.660 0.000 0.000 0.358 328 W C -2.455 174.308 176.519 0.407 0.000 1.228 328 W CA -1.123 56.418 57.345 0.327 0.000 1.183 328 W CB 0.423 30.111 29.460 0.380 0.000 1.467 328 W HN 0.528 nan 8.180 nan 0.000 0.578 329 F N -0.348 119.811 119.950 0.348 0.000 2.858 329 F HA 0.749 5.276 4.527 0.000 0.000 0.319 329 F C -2.010 173.944 175.800 0.258 0.000 1.166 329 F CA -1.670 56.344 58.000 0.023 0.000 0.899 329 F CB 0.677 39.520 39.000 -0.262 0.000 1.332 329 F HN 0.653 nan 8.300 nan 0.000 0.461 330 W N 0.644 121.813 121.300 -0.218 0.000 3.017 330 W HA 0.876 5.536 4.660 0.000 0.000 0.341 330 W C -1.730 174.666 176.519 -0.206 0.000 1.180 330 W CA -1.200 55.934 57.345 -0.351 0.000 1.097 330 W CB 1.397 30.786 29.460 -0.118 0.000 1.468 330 W HN 0.802 nan 8.180 nan 0.000 0.584 331 S N 0.840 116.501 115.700 -0.065 0.000 2.536 331 S HA 0.411 4.881 4.470 0.000 0.000 0.271 331 S C -2.114 172.591 174.600 0.175 0.000 1.134 331 S CA -0.623 57.569 58.200 -0.013 0.000 0.897 331 S CB 1.138 64.348 63.200 0.017 0.000 1.094 331 S HN 0.455 nan 8.310 nan 0.000 0.473 332 D N 3.248 123.751 120.400 0.172 0.000 2.481 332 D HA 0.429 5.069 4.640 0.000 0.000 0.246 332 D C -0.865 175.496 176.300 0.101 0.000 1.109 332 D CA -0.157 53.940 54.000 0.162 0.000 0.845 332 D CB 1.636 42.538 40.800 0.170 0.000 1.160 332 D HN 0.527 nan 8.370 nan 0.000 0.534 333 Q N 1.453 121.318 119.800 0.109 0.000 2.285 333 Q HA 0.279 4.619 4.340 0.000 0.000 0.269 333 Q C -0.658 175.354 176.000 0.020 0.000 1.030 333 Q CA -0.920 54.870 55.803 -0.021 0.000 0.788 333 Q CB 2.302 31.117 28.738 0.128 0.000 1.266 333 Q HN 0.448 nan 8.270 nan 0.000 0.438 334 Y N 1.112 121.432 120.300 0.033 0.000 3.396 334 Y HA -0.357 4.193 4.550 0.000 0.000 0.214 334 Y C 0.218 176.129 175.900 0.017 0.000 1.203 334 Y CA 1.010 59.108 58.100 -0.004 0.000 1.401 334 Y CB -1.898 36.521 38.460 -0.068 0.000 1.409 334 Y HN 0.903 nan 8.280 nan 0.000 0.594 335 E N -2.178 118.095 120.200 0.122 0.000 3.286 335 E HA -0.268 4.082 4.350 0.000 0.000 0.292 335 E C -0.177 176.479 176.600 0.093 0.000 0.928 335 E CA 0.892 57.347 56.400 0.092 0.000 0.982 335 E CB -1.046 28.700 29.700 0.076 0.000 1.500 335 E HN 0.613 nan 8.360 nan 0.000 0.441 336 I N 1.222 121.870 120.570 0.130 0.000 2.304 336 I HA 0.202 4.372 4.170 0.000 0.000 0.291 336 I C 1.183 177.358 176.117 0.096 0.000 1.018 336 I CA -0.140 61.231 61.300 0.118 0.000 1.260 336 I CB 1.259 39.374 38.000 0.192 0.000 1.390 336 I HN 0.036 nan 8.210 nan 0.000 0.475 337 G N 7.933 116.749 108.800 0.027 0.000 2.439 337 G HA2 0.356 4.316 3.960 0.000 0.000 0.298 337 G HA3 0.356 4.316 3.960 0.000 0.000 0.298 337 G C -0.258 174.614 174.900 -0.048 0.000 1.044 337 G CA -0.438 44.660 45.100 -0.004 0.000 1.168 337 G HN 0.282 nan 8.290 nan 0.000 0.433 338 L N 2.523 123.754 121.223 0.014 0.000 2.276 338 L HA 0.482 4.822 4.340 0.000 0.000 0.286 338 L C 0.345 177.090 176.870 -0.208 0.000 1.061 338 L CA -0.200 54.619 54.840 -0.035 0.000 0.807 338 L CB 0.891 43.044 42.059 0.157 0.000 1.177 338 L HN 0.460 nan 8.230 nan 0.000 0.429 339 K N 5.559 125.727 120.400 -0.387 0.000 2.637 339 K HA 0.563 4.883 4.320 0.000 0.000 0.248 339 K C -0.973 175.278 176.600 -0.581 0.000 0.971 339 K CA -0.554 55.289 56.287 -0.741 0.000 0.858 339 K CB 2.339 33.957 32.500 -1.469 0.000 1.170 339 K HN 0.478 nan 8.250 nan 0.000 0.443 340 M N 1.534 120.894 119.600 -0.399 0.000 2.383 340 M HA 0.503 4.983 4.480 0.000 0.000 0.325 340 M C -0.679 175.798 176.300 0.296 0.000 1.092 340 M CA -1.202 54.077 55.300 -0.035 0.000 0.961 340 M CB 1.204 33.740 32.600 -0.107 0.000 1.672 340 M HN 0.286 nan 8.290 nan 0.000 0.438 341 V N 2.256 122.402 119.914 0.386 0.000 2.656 341 V HA 0.965 5.085 4.120 0.000 0.000 0.307 341 V C 0.032 176.278 176.094 0.253 0.000 1.051 341 V CA 1.034 63.563 62.300 0.382 0.000 0.893 341 V CB 1.324 33.267 31.823 0.201 0.000 0.999 341 V HN 1.409 nan 8.190 nan 0.000 0.426 342 G N 4.824 113.791 108.800 0.278 0.000 2.631 342 G HA2 -0.046 3.914 3.960 0.000 0.000 0.504 342 G HA3 -0.046 3.914 3.960 0.000 0.000 0.504 342 G C -1.340 173.591 174.900 0.052 0.000 1.306 342 G CA -0.346 44.903 45.100 0.247 0.000 0.897 342 G HN 1.344 nan 8.290 nan 0.000 0.520 343 L N 0.931 122.050 121.223 -0.174 0.000 2.377 343 L HA 0.428 4.768 4.340 0.000 0.000 0.270 343 L C 1.529 178.280 176.870 -0.199 0.000 0.991 343 L CA -0.210 54.436 54.840 -0.322 0.000 0.851 343 L CB 1.858 43.508 42.059 -0.681 0.000 1.218 343 L HN 0.877 nan 8.230 nan 0.000 0.420 344 S N -0.332 115.268 115.700 -0.167 0.000 2.547 344 S HA -0.051 4.419 4.470 0.000 0.000 0.235 344 S C 0.736 175.418 174.600 0.136 0.000 0.980 344 S CA 0.041 58.176 58.200 -0.108 0.000 0.941 344 S CB -0.183 62.631 63.200 -0.643 0.000 0.763 344 S HN 0.633 nan 8.310 nan 0.000 0.532 345 E N 1.700 121.919 120.200 0.031 0.000 2.729 345 E HA 0.159 4.509 4.350 0.000 0.000 0.246 345 E C 1.146 177.807 176.600 0.101 0.000 0.984 345 E CA 1.096 57.532 56.400 0.059 0.000 0.951 345 E CB -0.142 29.543 29.700 -0.025 0.000 0.914 345 E HN 0.634 nan 8.360 nan 0.000 0.509 346 G N 4.053 112.909 108.800 0.092 0.000 2.176 346 G HA2 -0.315 3.645 3.960 0.000 0.000 0.232 346 G HA3 -0.315 3.645 3.960 0.000 0.000 0.232 346 G C 0.087 175.035 174.900 0.080 0.000 0.986 346 G CA 0.232 45.364 45.100 0.054 0.000 0.643 346 G HN 0.698 nan 8.290 nan 0.000 0.522 347 Y N 0.941 121.316 120.300 0.125 0.000 2.550 347 Y HA 0.441 4.991 4.550 0.000 0.000 0.343 347 Y C 0.874 176.853 175.900 0.132 0.000 1.245 347 Y CA -0.061 58.140 58.100 0.168 0.000 1.462 347 Y CB 0.684 39.315 38.460 0.284 0.000 1.340 347 Y HN 0.162 nan 8.280 nan 0.000 0.604 348 D N 0.145 120.661 120.400 0.193 0.000 2.540 348 D HA 0.184 4.824 4.640 0.000 0.000 0.229 348 D C -0.202 176.204 176.300 0.177 0.000 1.250 348 D CA -0.514 53.530 54.000 0.074 0.000 0.817 348 D CB 0.335 41.164 40.800 0.049 0.000 1.060 348 D HN 0.649 nan 8.370 nan 0.000 0.508 349 R N 0.834 121.538 120.500 0.341 0.000 2.979 349 R HA 0.339 4.679 4.340 0.000 0.000 0.245 349 R C -1.768 174.639 176.300 0.178 0.000 1.104 349 R CA -0.728 55.510 56.100 0.229 0.000 1.056 349 R CB 0.862 31.239 30.300 0.127 0.000 1.265 349 R HN 0.174 nan 8.270 nan 0.000 0.470 350 I N 1.696 122.296 120.570 0.049 0.000 2.648 350 I HA 0.640 4.810 4.170 0.000 0.000 0.304 350 I C -0.796 175.277 176.117 -0.073 0.000 1.009 350 I CA -1.127 60.081 61.300 -0.153 0.000 1.114 350 I CB 2.042 39.814 38.000 -0.381 0.000 1.293 350 I HN 0.480 nan 8.210 nan 0.000 0.449 351 I N 5.304 125.847 120.570 -0.045 0.000 2.478 351 I HA 0.338 4.508 4.170 0.000 0.000 0.287 351 I C -0.752 175.407 176.117 0.071 0.000 1.042 351 I CA -0.927 60.382 61.300 0.015 0.000 1.067 351 I CB 2.139 40.152 38.000 0.021 0.000 1.233 351 I HN 0.354 nan 8.210 nan 0.000 0.431 352 V N 6.586 126.503 119.914 0.005 0.000 2.383 352 V HA 0.330 4.450 4.120 0.000 0.000 0.275 352 V C 0.434 176.565 176.094 0.062 0.000 1.036 352 V CA -0.592 61.709 62.300 0.002 0.000 0.889 352 V CB 1.295 33.042 31.823 -0.128 0.000 0.985 352 V HN 0.683 nan 8.190 nan 0.000 0.459 353 R N 4.154 124.752 120.500 0.164 0.000 2.522 353 R HA 0.598 4.938 4.340 0.000 0.000 0.290 353 R C 0.302 176.683 176.300 0.135 0.000 1.216 353 R CA 0.644 56.842 56.100 0.162 0.000 1.250 353 R CB 0.111 30.591 30.300 0.301 0.000 1.143 353 R HN 1.045 nan 8.270 nan 0.000 0.553 354 G N 0.517 109.361 108.800 0.072 0.000 2.315 354 G HA2 -0.090 3.870 3.960 0.000 0.000 0.296 354 G HA3 -0.090 3.870 3.960 0.000 0.000 0.296 354 G C -1.551 173.349 174.900 -0.000 0.000 1.289 354 G CA -0.398 44.747 45.100 0.074 0.000 0.996 354 G HN 0.407 nan 8.290 nan 0.000 0.487 355 S N -1.008 114.694 115.700 0.003 0.000 2.482 355 S HA 0.610 5.080 4.470 0.000 0.000 0.303 355 S C 1.242 175.730 174.600 -0.187 0.000 1.091 355 S CA -0.584 57.567 58.200 -0.081 0.000 1.057 355 S CB 1.201 64.387 63.200 -0.024 0.000 1.031 355 S HN 0.808 nan 8.310 nan 0.000 0.485 356 L N 3.826 124.827 121.223 -0.370 0.000 2.622 356 L HA 0.092 4.432 4.340 0.000 0.000 0.233 356 L C 2.327 179.138 176.870 -0.099 0.000 1.156 356 L CA 0.647 55.160 54.840 -0.545 0.000 0.866 356 L CB -0.550 41.211 42.059 -0.496 0.000 0.980 356 L HN 0.841 nan 8.230 nan 0.000 0.448 357 A N -0.271 122.532 122.820 -0.028 0.000 1.970 357 A HA -0.035 4.285 4.320 0.000 0.000 0.216 357 A C 1.087 178.754 177.584 0.138 0.000 1.170 357 A CA 0.517 52.575 52.037 0.036 0.000 0.645 357 A CB 0.000 19.001 19.000 0.001 0.000 0.816 357 A HN 0.482 nan 8.150 nan 0.000 0.447 358 Q N -1.034 118.871 119.800 0.174 0.000 2.297 358 Q HA 0.481 4.821 4.340 0.000 0.000 0.269 358 Q C -2.925 173.259 176.000 0.307 0.000 1.051 358 Q CA -2.448 53.479 55.803 0.207 0.000 0.869 358 Q CB 0.906 29.719 28.738 0.125 0.000 1.346 358 Q HN -0.010 nan 8.270 nan 0.000 0.457 359 P HA 0.160 nan 4.420 nan 0.000 0.218 359 P C -1.322 175.927 177.300 -0.085 0.000 1.793 359 P CA 0.451 63.628 63.100 0.127 0.000 0.941 359 P CB -0.202 31.616 31.700 0.197 0.000 1.919 360 D N 2.157 122.513 120.400 -0.072 0.000 2.337 360 D HA 0.348 4.988 4.640 0.000 0.000 0.238 360 D C -1.230 175.081 176.300 0.017 0.000 1.331 360 D CA -0.440 53.502 54.000 -0.096 0.000 0.967 360 D CB 0.317 41.121 40.800 0.006 0.000 1.382 360 D HN 0.025 nan 8.370 nan 0.000 0.549 361 F N -0.412 119.460 119.950 -0.131 0.000 2.829 361 F HA 0.662 5.189 4.527 0.000 0.000 0.319 361 F C -1.750 173.971 175.800 -0.131 0.000 1.153 361 F CA -0.967 56.960 58.000 -0.120 0.000 0.912 361 F CB 0.752 39.659 39.000 -0.156 0.000 1.292 361 F HN -0.066 nan 8.300 nan 0.000 0.447 362 S N 1.031 116.855 115.700 0.206 0.000 2.521 362 S HA 0.799 5.269 4.470 0.000 0.000 0.295 362 S C -1.369 173.260 174.600 0.049 0.000 1.098 362 S CA -0.776 57.439 58.200 0.024 0.000 0.999 362 S CB 2.013 65.167 63.200 -0.077 0.000 1.034 362 S HN 0.643 nan 8.310 nan 0.000 0.483 363 V N 3.801 123.664 119.914 -0.084 0.000 2.409 363 V HA 0.508 4.628 4.120 0.000 0.000 0.291 363 V C -1.208 174.695 176.094 -0.318 0.000 1.020 363 V CA -0.574 61.646 62.300 -0.134 0.000 0.848 363 V CB 0.759 32.511 31.823 -0.117 0.000 0.990 363 V HN 0.782 nan 8.190 nan 0.000 0.430 364 F N 4.146 124.012 119.950 -0.140 0.000 2.420 364 F HA 0.576 5.103 4.527 0.000 0.000 0.342 364 F C -0.266 175.418 175.800 -0.193 0.000 1.113 364 F CA -0.604 57.365 58.000 -0.051 0.000 1.059 364 F CB 1.135 40.132 39.000 -0.004 0.000 1.128 364 F HN 0.373 nan 8.300 nan 0.000 0.475 365 Y N 4.207 124.588 120.300 0.135 0.000 2.369 365 Y HA 0.549 5.099 4.550 0.000 0.000 0.337 365 Y C -0.248 175.758 175.900 0.176 0.000 0.961 365 Y CA -0.819 57.318 58.100 0.062 0.000 1.186 365 Y CB 0.734 39.155 38.460 -0.065 0.000 1.139 365 Y HN 0.296 nan 8.280 nan 0.000 0.494 366 L N 3.146 124.544 121.223 0.292 0.000 2.334 366 L HA 0.582 4.922 4.340 0.000 0.000 0.273 366 L C -0.373 176.650 176.870 0.255 0.000 1.013 366 L CA -1.101 53.885 54.840 0.245 0.000 0.816 366 L CB 2.113 44.267 42.059 0.160 0.000 1.278 366 L HN 0.496 nan 8.230 nan 0.000 0.431 367 Q N 1.453 121.374 119.800 0.202 0.000 2.456 367 Q HA 0.498 4.838 4.340 0.000 0.000 0.252 367 Q C 0.324 176.392 176.000 0.113 0.000 1.042 367 Q CA 0.339 56.240 55.803 0.164 0.000 0.766 367 Q CB 1.266 30.102 28.738 0.162 0.000 1.196 367 Q HN 0.879 nan 8.270 nan 0.000 0.504 368 G N 3.838 112.695 108.800 0.094 0.000 2.559 368 G HA2 -0.316 3.644 3.960 0.000 0.000 0.282 368 G HA3 -0.316 3.644 3.960 0.000 0.000 0.282 368 G C 0.114 175.052 174.900 0.063 0.000 1.177 368 G CA 0.350 45.489 45.100 0.066 0.000 0.960 368 G HN 0.683 nan 8.290 nan 0.000 0.540 369 D N 1.014 121.445 120.400 0.051 0.000 2.398 369 D HA 0.159 4.799 4.640 0.000 0.000 0.210 369 D C 1.297 177.625 176.300 0.046 0.000 1.094 369 D CA 0.106 54.129 54.000 0.039 0.000 0.839 369 D CB 0.395 41.208 40.800 0.023 0.000 0.963 369 D HN 0.485 nan 8.370 nan 0.000 0.506 370 R N 1.345 121.885 120.500 0.066 0.000 2.349 370 R HA 0.338 4.678 4.340 0.000 0.000 0.299 370 R C -0.685 175.687 176.300 0.120 0.000 1.027 370 R CA -0.355 55.790 56.100 0.075 0.000 0.958 370 R CB 1.107 31.448 30.300 0.068 0.000 1.047 370 R HN -0.272 nan 8.270 nan 0.000 0.468 371 V N 7.236 127.226 119.914 0.125 0.000 2.455 371 V HA 0.058 4.178 4.120 0.000 0.000 0.273 371 V C 1.274 177.499 176.094 0.219 0.000 1.045 371 V CA 0.009 62.428 62.300 0.197 0.000 0.976 371 V CB 1.197 33.151 31.823 0.219 0.000 0.993 371 V HN 0.859 nan 8.190 nan 0.000 0.475 372 L N 3.877 125.269 121.223 0.282 0.000 2.221 372 L HA 0.472 4.812 4.340 0.000 0.000 0.202 372 L C 0.952 178.023 176.870 0.336 0.000 1.074 372 L CA 1.044 56.089 54.840 0.343 0.000 0.795 372 L CB 0.090 42.356 42.059 0.344 0.000 0.960 372 L HN 0.772 nan 8.230 nan 0.000 0.458 373 A N -0.923 122.073 122.820 0.294 0.000 2.610 373 A HA 0.683 5.003 4.320 0.000 0.000 0.291 373 A C -1.600 176.141 177.584 0.262 0.000 1.086 373 A CA -0.409 51.762 52.037 0.224 0.000 0.677 373 A CB 1.712 20.748 19.000 0.061 0.000 1.278 373 A HN -0.219 nan 8.150 nan 0.000 0.414 374 V N 1.514 121.513 119.914 0.143 0.000 2.623 374 V HA 0.451 4.571 4.120 0.000 0.000 0.304 374 V C -1.550 174.580 176.094 0.060 0.000 1.054 374 V CA -0.745 61.536 62.300 -0.032 0.000 0.882 374 V CB 1.998 33.633 31.823 -0.312 0.000 1.002 374 V HN 0.833 nan 8.190 nan 0.000 0.424 375 D N 3.023 123.488 120.400 0.107 0.000 2.280 375 D HA 0.535 5.175 4.640 0.000 0.000 0.236 375 D C 0.225 176.510 176.300 -0.025 0.000 1.082 375 D CA 0.035 54.102 54.000 0.111 0.000 0.834 375 D CB 2.033 42.998 40.800 0.276 0.000 1.100 375 D HN 0.742 nan 8.370 nan 0.000 0.486 376 T N -1.384 113.113 114.554 -0.094 0.000 2.855 376 T HA 0.640 4.990 4.350 0.000 0.000 0.281 376 T C -0.245 174.256 174.700 -0.330 0.000 1.007 376 T CA -0.804 61.179 62.100 -0.195 0.000 1.009 376 T CB 1.488 70.298 68.868 -0.098 0.000 0.983 376 T HN -0.012 nan 8.240 nan 0.000 0.455 377 V N 3.920 123.509 119.914 -0.542 0.000 2.409 377 V HA 0.398 4.518 4.120 0.000 0.000 0.290 377 V C -0.063 175.773 176.094 -0.429 0.000 1.017 377 V CA -0.955 60.977 62.300 -0.614 0.000 0.841 377 V CB 0.757 31.806 31.823 -1.290 0.000 1.003 377 V HN 1.066 nan 8.190 nan 0.000 0.426 378 N N 4.124 122.677 118.700 -0.244 0.000 2.735 378 N HA -0.178 4.562 4.740 0.000 0.000 0.248 378 N C 0.231 175.662 175.510 -0.132 0.000 1.083 378 N CA 0.855 53.812 53.050 -0.154 0.000 0.703 378 N CB -0.504 37.912 38.487 -0.119 0.000 1.005 378 N HN 0.747 nan 8.380 nan 0.000 0.550 379 R N -0.036 120.382 120.500 -0.136 0.000 2.653 379 R HA 0.146 4.486 4.340 0.000 0.000 0.269 379 R C -1.609 174.674 176.300 -0.027 0.000 1.603 379 R CA -1.131 54.925 56.100 -0.074 0.000 1.671 379 R CB 1.308 31.566 30.300 -0.071 0.000 1.300 379 R HN 0.059 nan 8.270 nan 0.000 0.668 380 P HA -0.144 nan 4.420 nan 0.000 0.218 380 P C 1.296 178.630 177.300 0.056 0.000 1.148 380 P CA 1.010 64.116 63.100 0.010 0.000 0.822 380 P CB 0.477 32.152 31.700 -0.041 0.000 0.784 381 V N 0.893 120.814 119.914 0.011 0.000 2.323 381 V HA -0.161 3.959 4.120 0.000 0.000 0.244 381 V C 2.629 178.720 176.094 -0.004 0.000 1.041 381 V CA 1.745 64.041 62.300 -0.007 0.000 1.025 381 V CB -1.149 30.665 31.823 -0.014 0.000 0.656 381 V HN 0.112 nan 8.190 nan 0.000 0.451 382 E N -0.665 119.547 120.200 0.019 0.000 2.204 382 E HA -0.225 4.125 4.350 0.000 0.000 0.195 382 E C 1.990 178.600 176.600 0.016 0.000 0.990 382 E CA 1.331 57.750 56.400 0.032 0.000 0.821 382 E CB -0.159 29.575 29.700 0.057 0.000 0.750 382 E HN 0.631 nan 8.360 nan 0.000 0.477 383 F N 2.553 122.430 119.950 -0.121 0.000 2.084 383 F HA -0.203 4.324 4.527 0.000 0.000 0.296 383 F C 2.068 177.753 175.800 -0.193 0.000 1.111 383 F CA 1.820 59.718 58.000 -0.170 0.000 1.224 383 F CB -0.521 38.358 39.000 -0.202 0.000 0.991 383 F HN -0.080 nan 8.300 nan 0.000 0.471 384 N N 0.193 118.673 118.700 -0.367 0.000 2.094 384 N HA -0.240 4.500 4.740 0.000 0.000 0.191 384 N C 1.750 177.038 175.510 -0.371 0.000 1.023 384 N CA 2.067 54.836 53.050 -0.469 0.000 0.857 384 N CB -0.326 38.033 38.487 -0.213 0.000 1.013 384 N HN 0.566 nan 8.380 nan 0.000 0.426 385 Q N -0.753 118.917 119.800 -0.218 0.000 2.079 385 Q HA 0.027 4.367 4.340 0.000 0.000 0.200 385 Q C 2.086 178.004 176.000 -0.138 0.000 0.974 385 Q CA 1.383 57.104 55.803 -0.136 0.000 0.840 385 Q CB -0.046 28.658 28.738 -0.058 0.000 0.898 385 Q HN 0.307 nan 8.270 nan 0.000 0.430 386 S N 0.993 116.599 115.700 -0.157 0.000 2.383 386 S HA -0.175 4.295 4.470 0.000 0.000 0.229 386 S C 1.637 176.134 174.600 -0.171 0.000 1.030 386 S CA 1.272 59.414 58.200 -0.097 0.000 1.002 386 S CB -0.096 63.038 63.200 -0.110 0.000 0.829 386 S HN 0.295 nan 8.310 nan 0.000 0.467 387 K N 1.094 121.270 120.400 -0.373 0.000 2.074 387 K HA -0.220 4.100 4.320 0.000 0.000 0.209 387 K C 2.353 178.861 176.600 -0.153 0.000 1.048 387 K CA 1.534 57.623 56.287 -0.330 0.000 0.926 387 K CB -0.204 31.994 32.500 -0.504 0.000 0.713 387 K HN 0.389 nan 8.250 nan 0.000 0.444 388 Q N 0.916 120.632 119.800 -0.140 0.000 2.167 388 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 388 Q C 1.988 177.965 176.000 -0.039 0.000 0.970 388 Q CA 1.021 56.777 55.803 -0.078 0.000 0.855 388 Q CB 0.052 28.745 28.738 -0.076 0.000 0.911 388 Q HN 0.350 nan 8.270 nan 0.000 0.438 389 I N 0.154 120.712 120.570 -0.020 0.000 2.286 389 I HA -0.287 3.883 4.170 0.000 0.000 0.248 389 I C 2.002 178.131 176.117 0.021 0.000 1.115 389 I CA 1.034 62.343 61.300 0.017 0.000 1.392 389 I CB -0.176 37.867 38.000 0.071 0.000 1.065 389 I HN 0.284 nan 8.210 nan 0.000 0.418 390 I N -0.043 120.541 120.570 0.024 0.000 2.339 390 I HA -0.178 3.992 4.170 0.000 0.000 0.245 390 I C 2.512 178.621 176.117 -0.013 0.000 1.096 390 I CA 1.164 62.480 61.300 0.027 0.000 1.408 390 I CB -0.496 37.557 38.000 0.088 0.000 1.092 390 I HN 0.134 nan 8.210 nan 0.000 0.423 391 T N 0.159 114.709 114.554 -0.007 0.000 2.720 391 T HA -0.161 4.189 4.350 0.000 0.000 0.268 391 T C 1.114 175.799 174.700 -0.025 0.000 1.037 391 T CA 1.403 63.496 62.100 -0.011 0.000 1.144 391 T CB -0.198 68.668 68.868 -0.003 0.000 0.864 391 T HN 0.275 nan 8.240 nan 0.000 0.444 392 D N 0.343 120.728 120.400 -0.024 0.000 2.363 392 D HA 0.152 4.792 4.640 0.000 0.000 0.214 392 D C 0.334 176.619 176.300 -0.025 0.000 1.093 392 D CA -0.070 53.916 54.000 -0.024 0.000 0.837 392 D CB 0.120 40.908 40.800 -0.021 0.000 0.948 392 D HN 0.280 nan 8.370 nan 0.000 0.507 393 R N 0.691 121.174 120.500 -0.029 0.000 3.405 393 R HA -0.175 4.165 4.340 0.000 0.000 0.258 393 R C -0.160 176.132 176.300 -0.014 0.000 1.030 393 R CA 0.238 56.322 56.100 -0.027 0.000 0.691 393 R CB -2.161 28.116 30.300 -0.039 0.000 1.093 393 R HN 0.311 nan 8.270 nan 0.000 0.448 394 L N 1.152 122.369 121.223 -0.009 0.000 2.499 394 L HA 0.056 4.396 4.340 0.000 0.000 0.273 394 L C -1.153 175.713 176.870 -0.007 0.000 1.195 394 L CA -1.404 53.431 54.840 -0.009 0.000 0.882 394 L CB 0.161 42.214 42.059 -0.010 0.000 1.133 394 L HN -0.135 nan 8.230 nan 0.000 0.483 395 P HA -0.001 nan 4.420 nan 0.000 0.261 395 P C -0.123 177.166 177.300 -0.019 0.000 1.650 395 P CA -0.196 62.897 63.100 -0.011 0.000 0.846 395 P CB -0.453 31.240 31.700 -0.011 0.000 1.758 396 V N -2.261 117.639 119.914 -0.024 0.000 2.928 396 V HA -0.038 4.082 4.120 0.000 0.000 0.307 396 V C 0.547 176.608 176.094 -0.054 0.000 1.105 396 V CA -0.260 62.013 62.300 -0.045 0.000 1.223 396 V CB -0.064 31.720 31.823 -0.064 0.000 0.930 396 V HN 0.204 nan 8.190 nan 0.000 0.499 397 E N 5.483 125.644 120.200 -0.064 0.000 2.104 397 E HA 0.184 4.534 4.350 0.000 0.000 0.278 397 E C -1.757 174.789 176.600 -0.090 0.000 1.127 397 E CA -1.430 54.933 56.400 -0.062 0.000 0.897 397 E CB 0.936 30.604 29.700 -0.054 0.000 1.043 397 E HN 0.618 nan 8.360 nan 0.000 0.410 398 P HA -0.284 nan 4.420 nan 0.000 0.216 398 P C 1.087 178.326 177.300 -0.103 0.000 1.157 398 P CA 1.279 64.323 63.100 -0.093 0.000 0.880 398 P CB 0.069 31.741 31.700 -0.046 0.000 0.791 399 N N -0.001 118.656 118.700 -0.072 0.000 2.364 399 N HA -0.142 4.598 4.740 0.000 0.000 0.183 399 N C 1.462 176.926 175.510 -0.077 0.000 1.022 399 N CA 1.296 54.308 53.050 -0.063 0.000 0.883 399 N CB -1.086 37.375 38.487 -0.043 0.000 0.965 399 N HN 0.261 nan 8.380 nan 0.000 0.438 400 L N 0.142 121.307 121.223 -0.096 0.000 2.375 400 L HA 0.150 4.490 4.340 0.000 0.000 0.215 400 L C 2.393 179.177 176.870 -0.143 0.000 1.108 400 L CA 0.054 54.836 54.840 -0.098 0.000 0.830 400 L CB -0.293 41.716 42.059 -0.084 0.000 0.959 400 L HN 0.008 nan 8.230 nan 0.000 0.457 401 L N 0.404 121.487 121.223 -0.233 0.000 2.043 401 L HA -0.191 4.149 4.340 0.000 0.000 0.212 401 L C 2.418 179.149 176.870 -0.231 0.000 1.075 401 L CA 1.678 56.274 54.840 -0.406 0.000 0.752 401 L CB -0.937 40.691 42.059 -0.718 0.000 0.891 401 L HN 0.364 nan 8.230 nan 0.000 0.432 402 G N -1.931 106.790 108.800 -0.130 0.000 2.880 402 G HA2 -0.141 3.819 3.960 0.000 0.000 0.209 402 G HA3 -0.141 3.819 3.960 0.000 0.000 0.209 402 G C 0.411 175.295 174.900 -0.027 0.000 1.157 402 G CA -0.145 44.928 45.100 -0.044 0.000 0.779 402 G HN 0.175 nan 8.290 nan 0.000 0.539 403 D N 1.147 121.521 120.400 -0.043 0.000 2.470 403 D HA 0.110 4.750 4.640 0.000 0.000 0.226 403 D C 1.179 177.470 176.300 -0.015 0.000 1.196 403 D CA -0.191 53.793 54.000 -0.028 0.000 0.979 403 D CB 0.234 41.013 40.800 -0.035 0.000 1.059 403 D HN 0.314 nan 8.370 nan 0.000 0.515 404 E N 0.779 120.979 120.200 0.001 0.000 2.455 404 E HA -0.148 4.202 4.350 0.000 0.000 0.202 404 E C 1.565 178.167 176.600 0.004 0.000 1.045 404 E CA 0.454 56.861 56.400 0.011 0.000 0.872 404 E CB 0.181 29.894 29.700 0.021 0.000 0.792 404 E HN 0.419 nan 8.360 nan 0.000 0.542 405 S N -0.244 115.453 115.700 -0.004 0.000 2.527 405 S HA 0.008 4.478 4.470 0.000 0.000 0.222 405 S C 0.808 175.402 174.600 -0.009 0.000 0.985 405 S CA -0.206 57.991 58.200 -0.006 0.000 0.921 405 S CB 0.301 63.496 63.200 -0.008 0.000 0.772 405 S HN -0.063 nan 8.310 nan 0.000 0.529 406 V N 3.524 123.430 119.914 -0.013 0.000 2.334 406 V HA 0.445 4.565 4.120 0.000 0.000 0.281 406 V C -2.613 173.473 176.094 -0.014 0.000 1.016 406 V CA -2.255 60.035 62.300 -0.017 0.000 0.832 406 V CB 0.819 32.626 31.823 -0.027 0.000 0.999 406 V HN 0.163 nan 8.190 nan 0.000 0.439 407 P HA -0.016 nan 4.420 nan 0.000 0.264 407 P C 0.759 178.056 177.300 -0.005 0.000 1.183 407 P CA -0.093 63.005 63.100 -0.003 0.000 0.763 407 P CB 0.668 32.365 31.700 -0.005 0.000 0.807 408 L N 4.480 125.708 121.223 0.009 0.000 2.191 408 L HA -0.163 4.177 4.340 0.000 0.000 0.212 408 L C 2.069 178.939 176.870 0.000 0.000 1.103 408 L CA 1.888 56.736 54.840 0.012 0.000 0.769 408 L CB -0.801 41.297 42.059 0.064 0.000 0.908 408 L HN 0.307 nan 8.230 nan 0.000 0.438 409 K N -0.596 119.803 120.400 -0.003 0.000 2.057 409 K HA -0.197 4.123 4.320 0.000 0.000 0.206 409 K C 1.974 178.564 176.600 -0.016 0.000 1.050 409 K CA 1.609 57.889 56.287 -0.011 0.000 0.935 409 K CB -0.062 32.430 32.500 -0.013 0.000 0.715 409 K HN 0.451 nan 8.250 nan 0.000 0.439 410 E N 0.540 120.730 120.200 -0.016 0.000 2.051 410 E HA -0.189 4.161 4.350 0.000 0.000 0.192 410 E C 2.032 178.618 176.600 -0.024 0.000 0.991 410 E CA 1.517 57.906 56.400 -0.019 0.000 0.799 410 E CB -0.112 29.577 29.700 -0.018 0.000 0.748 410 E HN 0.333 nan 8.360 nan 0.000 0.449 411 I N 0.942 121.495 120.570 -0.029 0.000 2.194 411 I HA -0.322 3.848 4.170 0.000 0.000 0.246 411 I C 2.340 178.437 176.117 -0.035 0.000 1.093 411 I CA 1.209 62.485 61.300 -0.041 0.000 1.355 411 I CB -0.314 37.648 38.000 -0.062 0.000 1.046 411 I HN 0.160 nan 8.210 nan 0.000 0.413 412 I N 0.508 121.062 120.570 -0.026 0.000 2.353 412 I HA -0.217 3.953 4.170 0.000 0.000 0.248 412 I C 2.808 178.912 176.117 -0.021 0.000 1.119 412 I CA 1.058 62.345 61.300 -0.022 0.000 1.417 412 I CB -0.425 37.564 38.000 -0.018 0.000 1.078 412 I HN 0.163 nan 8.210 nan 0.000 0.421 413 A N 0.960 123.768 122.820 -0.021 0.000 1.883 413 A HA -0.208 4.112 4.320 0.000 0.000 0.217 413 A C 2.564 180.137 177.584 -0.018 0.000 1.186 413 A CA 1.975 54.001 52.037 -0.019 0.000 0.624 413 A CB -0.886 18.104 19.000 -0.017 0.000 0.822 413 A HN 0.420 nan 8.150 nan 0.000 0.444 414 A N -0.205 122.602 122.820 -0.020 0.000 1.908 414 A HA 0.112 4.432 4.320 0.000 0.000 0.218 414 A C 2.491 180.063 177.584 -0.020 0.000 1.181 414 A CA 2.263 54.288 52.037 -0.020 0.000 0.627 414 A CB -1.004 17.982 19.000 -0.024 0.000 0.818 414 A HN 1.127 nan 8.150 nan 0.000 0.445 415 A N -0.541 122.266 122.820 -0.022 0.000 1.969 415 A HA -0.097 4.223 4.320 0.000 0.000 0.218 415 A C 2.086 179.660 177.584 -0.016 0.000 1.169 415 A CA 1.656 53.681 52.037 -0.020 0.000 0.635 415 A CB -0.333 18.654 19.000 -0.021 0.000 0.810 415 A HN 0.558 nan 8.150 nan 0.000 0.445 416 K N -0.236 120.154 120.400 -0.016 0.000 2.062 416 K HA 0.023 4.343 4.320 0.000 0.000 0.205 416 K C 2.352 178.944 176.600 -0.013 0.000 1.051 416 K CA 0.937 57.215 56.287 -0.015 0.000 0.941 416 K CB -0.291 32.199 32.500 -0.016 0.000 0.719 416 K HN 0.418 nan 8.250 nan 0.000 0.440 417 A N 1.832 124.644 122.820 -0.013 0.000 1.851 417 A HA -0.265 4.055 4.320 0.000 0.000 0.216 417 A C 2.116 179.693 177.584 -0.011 0.000 1.195 417 A CA 1.793 53.822 52.037 -0.012 0.000 0.622 417 A CB -0.623 18.370 19.000 -0.012 0.000 0.831 417 A HN 0.397 nan 8.150 nan 0.000 0.444 418 E N -0.759 119.435 120.200 -0.012 0.000 2.070 418 E HA -0.250 4.100 4.350 0.000 0.000 0.197 418 E C 1.913 178.507 176.600 -0.009 0.000 1.004 418 E CA 1.607 58.001 56.400 -0.010 0.000 0.805 418 E CB -0.213 29.480 29.700 -0.012 0.000 0.744 418 E HN 0.404 nan 8.360 nan 0.000 0.451 419 L N 0.730 121.947 121.223 -0.010 0.000 2.046 419 L HA -0.177 4.163 4.340 0.000 0.000 0.208 419 L C 2.597 179.462 176.870 -0.008 0.000 1.077 419 L CA 2.310 57.145 54.840 -0.009 0.000 0.747 419 L CB -0.572 41.481 42.059 -0.010 0.000 0.896 419 L HN 0.249 nan 8.230 nan 0.000 0.432 420 S N -2.004 113.691 115.700 -0.008 0.000 2.371 420 S HA -0.057 4.413 4.470 0.000 0.000 0.221 420 S C 1.538 176.134 174.600 -0.006 0.000 1.036 420 S CA 0.467 58.663 58.200 -0.007 0.000 0.965 420 S CB -1.000 62.195 63.200 -0.007 0.000 0.845 420 S HN 0.484 nan 8.310 nan 0.000 0.475 421 S N 1.921 117.617 115.700 -0.007 0.000 3.188 421 S HA 0.601 5.071 4.470 0.000 0.000 0.257 421 S C 0.469 175.066 174.600 -0.005 0.000 1.163 421 S CA -0.044 58.152 58.200 -0.006 0.000 1.259 421 S CB -0.968 62.228 63.200 -0.006 0.000 0.995 421 S HN 1.565 nan 8.310 nan 0.000 0.474 422 A N -0.432 122.386 122.820 -0.005 0.000 1.825 422 A HA 0.338 4.658 4.320 0.000 0.000 0.234 422 A C -1.865 175.717 177.584 -0.003 0.000 2.858 422 A CA -1.201 50.834 52.037 -0.004 0.000 2.159 422 A CB -2.092 16.906 19.000 -0.004 0.000 0.258 422 A HN 0.487 nan 8.150 nan 0.000 0.969 423 P HA 0.000 nan 4.420 nan 0.000 0.216 423 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 423 P CB 0.000 31.699 31.700 -0.002 0.000 0.726