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 3o38_1_B DATA FIRST_RESID 2 DATA SEQUENCE NLSEAPKEID GHGLLKGKVV LVTAAAGTGI GSTTARRALL EGADVVISDY DATA SEQUENCE HERRLGETRD QLADLGLGRV EAVVCDVTST EAVDALITQT VEKAGRLDVL DATA SEQUENCE VNNAGLGGQT PVVDMTDEEW DRVLNVTLTS VMRATRAALR YFRGVDHGGV DATA SEQUENCE IVNNASVLGW RAQHSQSHYA AAKAGVMALT RCSAIEAVEF GVRINAVSPS DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX XXEAFGRAAE PWEVAATIAF LASDYSSYMT DATA SEQUENCE GEVVSVSSQR A 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.433 175.510 -0.128 0.000 1.280 2 N CA 0.000 52.998 53.050 -0.086 0.000 0.885 2 N CB 0.000 38.459 38.487 -0.047 0.000 1.341 3 L N 0.714 121.793 121.223 -0.239 0.000 2.275 3 L HA -0.051 4.289 4.340 0.000 0.000 0.215 3 L C 1.886 178.618 176.870 -0.230 0.000 1.119 3 L CA 1.379 55.950 54.840 -0.447 0.000 0.790 3 L CB -0.258 41.206 42.059 -0.992 0.000 0.919 3 L HN 0.562 nan 8.230 nan 0.000 0.443 4 S N -1.021 114.622 115.700 -0.095 0.000 2.522 4 S HA 0.014 4.484 4.470 0.000 0.000 0.227 4 S C 0.938 175.555 174.600 0.027 0.000 0.986 4 S CA 0.570 58.777 58.200 0.011 0.000 0.929 4 S CB -0.750 62.459 63.200 0.015 0.000 0.769 4 S HN 0.460 nan 8.310 nan 0.000 0.529 5 E N 1.380 121.584 120.200 0.008 0.000 2.249 5 E HA 0.719 5.069 4.350 0.000 0.000 0.280 5 E C -0.061 176.574 176.600 0.059 0.000 1.016 5 E CA -0.522 55.896 56.400 0.030 0.000 0.830 5 E CB 0.495 30.206 29.700 0.018 0.000 1.081 5 E HN 0.683 nan 8.360 nan 0.000 0.395 6 A N 4.361 127.227 122.820 0.076 0.000 2.537 6 A HA 0.458 4.778 4.320 0.000 0.000 0.260 6 A C -1.601 176.078 177.584 0.158 0.000 1.082 6 A CA -0.561 51.544 52.037 0.113 0.000 0.765 6 A CB -0.470 18.594 19.000 0.106 0.000 1.019 6 A HN 0.611 nan 8.150 nan 0.000 0.507 7 P HA 0.256 nan 4.420 nan 0.000 0.281 7 P C -0.540 177.006 177.300 0.410 0.000 1.249 7 P CA -0.649 62.634 63.100 0.304 0.000 0.810 7 P CB 0.824 32.756 31.700 0.387 0.000 1.008 8 K N 1.566 122.077 120.400 0.185 0.000 2.350 8 K HA 0.047 4.367 4.320 0.000 0.000 0.279 8 K C 0.302 176.651 176.600 -0.420 0.000 1.027 8 K CA -0.311 55.961 56.287 -0.025 0.000 0.969 8 K CB 0.401 32.864 32.500 -0.060 0.000 0.954 8 K HN 0.454 nan 8.250 nan 0.000 0.474 9 E N 5.174 124.863 120.200 -0.852 0.000 2.480 9 E HA -0.037 4.313 4.350 0.000 0.000 0.258 9 E C 0.171 176.186 176.600 -0.975 0.000 0.984 9 E CA -0.296 55.079 56.400 -1.709 0.000 0.930 9 E CB 0.348 29.451 29.700 -0.995 0.000 0.936 9 E HN 0.514 nan 8.360 nan 0.000 0.466 10 I N 1.097 121.047 120.570 -1.034 0.000 2.882 10 I HA 0.199 4.369 4.170 0.000 0.000 0.286 10 I C 0.154 176.142 176.117 -0.216 0.000 1.139 10 I CA -0.942 60.122 61.300 -0.392 0.000 1.379 10 I CB 0.583 38.495 38.000 -0.147 0.000 1.410 10 I HN 0.348 nan 8.210 nan 0.000 0.594 11 D N 3.047 123.374 120.400 -0.121 0.000 2.362 11 D HA 0.251 4.891 4.640 0.000 0.000 0.238 11 D C 0.408 176.634 176.300 -0.123 0.000 1.212 11 D CA 0.236 54.142 54.000 -0.157 0.000 0.902 11 D CB 0.734 41.392 40.800 -0.236 0.000 1.180 11 D HN 0.840 nan 8.370 nan 0.000 0.445 12 G N -0.881 107.835 108.800 -0.140 0.000 2.569 12 G HA2 0.214 4.174 3.960 0.000 0.000 0.249 12 G HA3 0.214 4.174 3.960 0.000 0.000 0.249 12 G C -0.324 174.429 174.900 -0.245 0.000 1.216 12 G CA -0.134 44.928 45.100 -0.062 0.000 0.845 12 G HN 0.563 nan 8.290 nan 0.000 0.568 13 H N -1.026 118.053 119.070 0.015 0.000 2.865 13 H HA 0.334 4.890 4.556 0.000 0.000 0.247 13 H C 1.360 176.718 175.328 0.049 0.000 1.181 13 H CA 0.157 56.219 56.048 0.023 0.000 0.975 13 H CB 0.775 30.543 29.762 0.010 0.000 1.899 13 H HN 0.981 nan 8.280 nan 0.000 0.651 14 G N 1.048 109.919 108.800 0.118 0.000 2.143 14 G HA2 -0.315 3.645 3.960 0.000 0.000 0.248 14 G HA3 -0.315 3.645 3.960 0.000 0.000 0.248 14 G C 1.070 176.047 174.900 0.129 0.000 0.991 14 G CA 0.555 45.715 45.100 0.100 0.000 0.689 14 G HN 0.450 nan 8.290 nan 0.000 0.522 15 L N -1.178 120.137 121.223 0.154 0.000 2.265 15 L HA 0.136 4.476 4.340 0.000 0.000 0.215 15 L C 1.941 178.893 176.870 0.136 0.000 1.117 15 L CA 1.106 56.055 54.840 0.181 0.000 0.782 15 L CB -0.112 42.057 42.059 0.184 0.000 0.914 15 L HN 0.379 nan 8.230 nan 0.000 0.441 16 L N -0.611 120.672 121.223 0.099 0.000 3.347 16 L HA 0.202 4.542 4.340 0.000 0.000 0.306 16 L C 0.063 176.965 176.870 0.054 0.000 1.301 16 L CA -0.444 54.440 54.840 0.073 0.000 0.985 16 L CB 0.457 42.558 42.059 0.070 0.000 1.400 16 L HN -0.102 nan 8.230 nan 0.000 0.601 17 K N 1.405 121.837 120.400 0.053 0.000 2.412 17 K HA 0.343 4.663 4.320 0.000 0.000 0.284 17 K C 1.254 177.870 176.600 0.026 0.000 1.046 17 K CA 1.209 57.519 56.287 0.039 0.000 0.999 17 K CB 0.463 32.987 32.500 0.040 0.000 0.941 17 K HN 0.292 nan 8.250 nan 0.000 0.474 18 G N 3.120 111.931 108.800 0.019 0.000 2.184 18 G HA2 -0.249 3.711 3.960 0.000 0.000 0.264 18 G HA3 -0.249 3.711 3.960 0.000 0.000 0.264 18 G C -0.269 174.634 174.900 0.005 0.000 0.975 18 G CA 0.347 45.453 45.100 0.009 0.000 0.642 18 G HN 0.543 nan 8.290 nan 0.000 0.536 19 K N 0.360 120.769 120.400 0.015 0.000 2.144 19 K HA 0.567 4.887 4.320 0.000 0.000 0.270 19 K C 0.304 176.916 176.600 0.020 0.000 1.005 19 K CA -0.575 55.722 56.287 0.017 0.000 0.932 19 K CB 2.073 34.593 32.500 0.033 0.000 1.021 19 K HN 0.095 nan 8.250 nan 0.000 0.462 20 V N 3.171 123.097 119.914 0.020 0.000 2.364 20 V HA 0.168 4.288 4.120 0.000 0.000 0.272 20 V C -0.100 176.015 176.094 0.034 0.000 1.036 20 V CA -0.775 61.534 62.300 0.016 0.000 0.880 20 V CB 1.340 33.161 31.823 -0.003 0.000 0.991 20 V HN 0.358 nan 8.190 nan 0.000 0.460 21 V N 6.652 126.584 119.914 0.029 0.000 2.384 21 V HA 0.444 4.564 4.120 0.000 0.000 0.287 21 V C -0.332 175.776 176.094 0.023 0.000 1.020 21 V CA -0.650 61.674 62.300 0.040 0.000 0.850 21 V CB 1.654 33.503 31.823 0.045 0.000 0.987 21 V HN 0.668 nan 8.190 nan 0.000 0.436 22 L N 7.172 128.408 121.223 0.022 0.000 2.282 22 L HA 0.762 5.102 4.340 0.000 0.000 0.288 22 L C -0.552 176.330 176.870 0.020 0.000 1.033 22 L CA 0.116 54.960 54.840 0.006 0.000 0.807 22 L CB 1.616 43.663 42.059 -0.019 0.000 1.209 22 L HN 0.431 nan 8.230 nan 0.000 0.423 23 V N 3.983 123.909 119.914 0.019 0.000 2.487 23 V HA 0.577 4.697 4.120 0.000 0.000 0.298 23 V C 0.339 176.447 176.094 0.024 0.000 1.028 23 V CA -0.279 62.037 62.300 0.027 0.000 0.860 23 V CB 1.887 33.730 31.823 0.033 0.000 0.991 23 V HN 0.935 nan 8.190 nan 0.000 0.427 24 T N 1.277 115.845 114.554 0.025 0.000 2.862 24 T HA 0.625 4.975 4.350 0.000 0.000 0.276 24 T C 0.799 175.521 174.700 0.037 0.000 0.974 24 T CA 0.108 62.224 62.100 0.027 0.000 0.966 24 T CB 1.414 70.294 68.868 0.020 0.000 1.072 24 T HN 2.202 nan 8.240 nan 0.000 0.538 25 A N -0.381 122.468 122.820 0.049 0.000 2.640 25 A HA 0.015 4.335 4.320 0.000 0.000 0.300 25 A C 1.192 178.813 177.584 0.062 0.000 1.499 25 A CA 0.778 52.855 52.037 0.066 0.000 0.759 25 A CB -2.059 16.973 19.000 0.054 0.000 1.048 25 A HN 1.922 nan 8.150 nan 0.000 0.450 26 A N -1.152 121.703 122.820 0.060 0.000 2.465 26 A HA 0.680 5.000 4.320 0.000 0.000 0.255 26 A C 0.985 178.599 177.584 0.049 0.000 1.274 26 A CA 1.133 53.199 52.037 0.049 0.000 0.920 26 A CB -0.255 18.769 19.000 0.039 0.000 1.033 26 A HN 2.303 nan 8.150 nan 0.000 0.516 27 A N 0.051 122.910 122.820 0.066 0.000 2.363 27 A HA 0.587 4.907 4.320 0.000 0.000 0.270 27 A C 1.132 178.737 177.584 0.035 0.000 1.121 27 A CA 0.437 52.510 52.037 0.060 0.000 0.800 27 A CB -0.558 18.503 19.000 0.101 0.000 1.052 27 A HN 2.101 nan 8.150 nan 0.000 0.493 28 G N 1.223 110.036 108.800 0.021 0.000 2.752 28 G HA2 0.081 4.041 3.960 0.000 0.000 0.234 28 G HA3 0.081 4.041 3.960 0.000 0.000 0.234 28 G C 0.316 175.224 174.900 0.013 0.000 1.367 28 G CA 0.195 45.300 45.100 0.008 0.000 0.879 28 G HN 2.354 nan 8.290 nan 0.000 0.563 29 T N -1.277 113.282 114.554 0.009 0.000 2.926 29 T HA 0.698 5.048 4.350 0.000 0.000 0.307 29 T C 0.950 175.660 174.700 0.016 0.000 1.059 29 T CA 0.976 63.086 62.100 0.017 0.000 1.122 29 T CB 1.454 70.331 68.868 0.015 0.000 0.972 29 T HN 2.716 nan 8.240 nan 0.000 0.545 30 G N 1.401 110.217 108.800 0.026 0.000 2.361 30 G HA2 0.246 4.206 3.960 0.000 0.000 0.305 30 G HA3 0.246 4.206 3.960 0.000 0.000 0.305 30 G C 0.048 174.969 174.900 0.036 0.000 1.367 30 G CA -0.280 44.835 45.100 0.025 0.000 0.951 30 G HN 0.906 nan 8.290 nan 0.000 0.615 31 I N 1.135 121.725 120.570 0.033 0.000 2.361 31 I HA 0.091 4.261 4.170 0.000 0.000 0.251 31 I C 2.433 178.577 176.117 0.045 0.000 1.133 31 I CA 3.087 64.410 61.300 0.039 0.000 1.413 31 I CB -0.563 37.455 38.000 0.029 0.000 1.073 31 I HN 0.825 nan 8.210 nan 0.000 0.424 32 G N -0.306 108.518 108.800 0.041 0.000 2.453 32 G HA2 -0.301 3.659 3.960 0.000 0.000 0.215 32 G HA3 -0.301 3.659 3.960 0.000 0.000 0.215 32 G C 1.709 176.636 174.900 0.045 0.000 1.201 32 G CA 1.239 46.364 45.100 0.042 0.000 0.784 32 G HN 0.549 nan 8.290 nan 0.000 0.545 33 S N 0.026 115.752 115.700 0.043 0.000 2.383 33 S HA -0.131 4.339 4.470 0.000 0.000 0.229 33 S C 2.224 176.855 174.600 0.051 0.000 1.030 33 S CA 2.169 60.394 58.200 0.042 0.000 1.002 33 S CB -0.866 62.356 63.200 0.037 0.000 0.829 33 S HN 0.281 nan 8.310 nan 0.000 0.467 34 T N 2.059 116.650 114.554 0.062 0.000 2.821 34 T HA -0.050 4.300 4.350 0.000 0.000 0.267 34 T C 1.964 176.718 174.700 0.091 0.000 1.046 34 T CA 1.830 63.980 62.100 0.084 0.000 1.139 34 T CB -0.892 68.037 68.868 0.102 0.000 0.871 34 T HN 0.589 nan 8.240 nan 0.000 0.454 35 T N 2.059 116.659 114.554 0.078 0.000 2.777 35 T HA -0.001 4.349 4.350 0.000 0.000 0.266 35 T C 2.433 177.172 174.700 0.066 0.000 1.040 35 T CA 1.082 63.227 62.100 0.076 0.000 1.141 35 T CB -0.544 68.363 68.868 0.065 0.000 0.868 35 T HN 0.421 nan 8.240 nan 0.000 0.444 36 A N 1.808 124.660 122.820 0.054 0.000 1.908 36 A HA -0.172 4.148 4.320 0.000 0.000 0.218 36 A C 2.292 179.902 177.584 0.044 0.000 1.181 36 A CA 2.032 54.096 52.037 0.044 0.000 0.627 36 A CB -0.628 18.393 19.000 0.035 0.000 0.818 36 A HN 0.454 nan 8.150 nan 0.000 0.445 37 R N -0.689 119.839 120.500 0.047 0.000 2.073 37 R HA -0.193 4.147 4.340 0.000 0.000 0.234 37 R C 2.387 178.716 176.300 0.048 0.000 1.134 37 R CA 1.821 57.946 56.100 0.042 0.000 0.952 37 R CB -0.262 30.064 30.300 0.043 0.000 0.850 37 R HN 0.411 nan 8.270 nan 0.000 0.433 38 R N 0.789 121.331 120.500 0.070 0.000 2.096 38 R HA -0.099 4.241 4.340 0.000 0.000 0.240 38 R C 1.984 178.328 176.300 0.073 0.000 1.139 38 R CA 2.134 58.284 56.100 0.084 0.000 0.952 38 R CB -0.896 29.478 30.300 0.123 0.000 0.854 38 R HN 0.355 nan 8.270 nan 0.000 0.436 39 A N 0.566 123.426 122.820 0.067 0.000 1.908 39 A HA -0.121 4.199 4.320 0.000 0.000 0.218 39 A C 2.347 179.959 177.584 0.046 0.000 1.181 39 A CA 1.721 53.793 52.037 0.059 0.000 0.627 39 A CB -0.697 18.335 19.000 0.052 0.000 0.818 39 A HN 0.385 nan 8.150 nan 0.000 0.445 40 L N -0.757 120.488 121.223 0.036 0.000 2.046 40 L HA -0.185 4.155 4.340 0.000 0.000 0.208 40 L C 2.550 179.432 176.870 0.020 0.000 1.077 40 L CA 1.067 55.922 54.840 0.024 0.000 0.747 40 L CB -0.542 41.528 42.059 0.018 0.000 0.896 40 L HN 0.376 nan 8.230 nan 0.000 0.432 41 L N -0.468 120.768 121.223 0.021 0.000 2.127 41 L HA -0.195 4.145 4.340 0.000 0.000 0.211 41 L C 2.145 179.026 176.870 0.019 0.000 1.089 41 L CA 0.949 55.795 54.840 0.009 0.000 0.757 41 L CB -0.362 41.701 42.059 0.007 0.000 0.899 41 L HN 0.294 nan 8.230 nan 0.000 0.434 42 E N -0.219 120.008 120.200 0.044 0.000 2.476 42 E HA 0.079 4.429 4.350 0.000 0.000 0.191 42 E C 1.393 178.024 176.600 0.052 0.000 1.064 42 E CA 0.717 57.155 56.400 0.063 0.000 0.866 42 E CB 0.413 30.166 29.700 0.088 0.000 0.952 42 E HN 0.472 nan 8.360 nan 0.000 0.492 43 G N 0.760 109.581 108.800 0.034 0.000 2.141 43 G HA2 -0.245 3.715 3.960 0.000 0.000 0.231 43 G HA3 -0.245 3.715 3.960 0.000 0.000 0.231 43 G C 0.476 175.392 174.900 0.027 0.000 0.984 43 G CA 0.106 45.222 45.100 0.027 0.000 0.660 43 G HN 0.506 nan 8.290 nan 0.000 0.525 44 A N -0.201 122.637 122.820 0.030 0.000 2.286 44 A HA 0.635 4.955 4.320 0.000 0.000 0.286 44 A C 0.064 177.659 177.584 0.019 0.000 1.097 44 A CA -0.155 51.898 52.037 0.027 0.000 0.821 44 A CB 0.538 19.559 19.000 0.036 0.000 1.076 44 A HN 0.192 nan 8.150 nan 0.000 0.490 45 D N 0.148 120.556 120.400 0.014 0.000 2.255 45 D HA 0.492 5.132 4.640 0.000 0.000 0.249 45 D C -0.551 175.754 176.300 0.010 0.000 1.078 45 D CA 0.216 54.221 54.000 0.008 0.000 0.896 45 D CB 1.575 42.376 40.800 0.003 0.000 1.194 45 D HN 0.138 nan 8.370 nan 0.000 0.429 46 V N 1.758 121.677 119.914 0.007 0.000 2.735 46 V HA 0.414 4.534 4.120 0.000 0.000 0.310 46 V C -0.228 175.866 176.094 0.001 0.000 1.061 46 V CA -0.831 61.474 62.300 0.009 0.000 0.913 46 V CB 2.413 34.246 31.823 0.016 0.000 1.005 46 V HN 0.255 nan 8.190 nan 0.000 0.428 47 V N 5.430 125.342 119.914 -0.003 0.000 2.444 47 V HA 0.555 4.675 4.120 0.000 0.000 0.294 47 V C -0.215 175.878 176.094 -0.001 0.000 1.022 47 V CA -0.483 61.811 62.300 -0.010 0.000 0.850 47 V CB 1.530 33.337 31.823 -0.026 0.000 0.992 47 V HN 0.785 nan 8.190 nan 0.000 0.426 48 I N 1.606 122.178 120.570 0.002 0.000 2.607 48 I HA 0.926 5.096 4.170 0.000 0.000 0.305 48 I C -0.125 175.997 176.117 0.009 0.000 0.995 48 I CA -0.196 61.111 61.300 0.011 0.000 1.148 48 I CB 2.085 40.096 38.000 0.018 0.000 1.323 48 I HN 0.549 nan 8.210 nan 0.000 0.461 49 S N 2.578 118.289 115.700 0.017 0.000 2.564 49 S HA 0.565 5.035 4.470 0.000 0.000 0.274 49 S C -1.514 173.110 174.600 0.040 0.000 1.124 49 S CA -0.430 57.781 58.200 0.018 0.000 0.869 49 S CB 1.702 64.907 63.200 0.009 0.000 1.105 49 S HN 0.955 nan 8.310 nan 0.000 0.472 50 D N 0.591 121.019 120.400 0.047 0.000 2.694 50 D HA 0.113 4.753 4.640 0.000 0.000 0.260 50 D C -0.784 175.559 176.300 0.071 0.000 1.250 50 D CA -0.367 53.685 54.000 0.088 0.000 0.763 50 D CB 1.038 41.913 40.800 0.125 0.000 1.311 50 D HN 0.574 nan 8.370 nan 0.000 0.420 51 Y N 1.125 121.372 120.300 -0.090 0.000 2.395 51 Y HA 0.064 4.615 4.550 0.000 0.000 0.293 51 Y C 0.505 176.250 175.900 -0.259 0.000 1.123 51 Y CA 1.133 59.101 58.100 -0.219 0.000 1.227 51 Y CB 0.219 38.457 38.460 -0.369 0.000 1.012 51 Y HN 0.296 nan 8.280 nan 0.000 0.552 52 H N 1.035 120.131 119.070 0.043 0.000 2.820 52 H HA 0.149 4.705 4.556 0.000 0.000 0.278 52 H C 0.831 176.125 175.328 -0.056 0.000 1.142 52 H CA -0.094 55.944 56.048 -0.017 0.000 1.346 52 H CB 0.808 30.611 29.762 0.069 0.000 1.438 52 H HN 0.386 nan 8.280 nan 0.000 0.473 53 E N 2.800 122.976 120.200 -0.040 0.000 2.047 53 E HA -0.180 4.170 4.350 0.000 0.000 0.191 53 E C 2.051 178.648 176.600 -0.004 0.000 0.987 53 E CA 0.496 56.869 56.400 -0.045 0.000 0.799 53 E CB 0.239 29.885 29.700 -0.089 0.000 0.752 53 E HN 0.507 nan 8.360 nan 0.000 0.449 54 R N 1.276 121.780 120.500 0.007 0.000 2.080 54 R HA -0.138 4.202 4.340 0.000 0.000 0.236 54 R C 2.256 178.567 176.300 0.018 0.000 1.137 54 R CA 1.533 57.639 56.100 0.010 0.000 0.943 54 R CB -0.014 30.292 30.300 0.010 0.000 0.846 54 R HN 0.045 nan 8.270 nan 0.000 0.431 55 R N 0.190 120.711 120.500 0.034 0.000 2.115 55 R HA -0.098 4.242 4.340 0.000 0.000 0.226 55 R C 2.319 178.637 176.300 0.031 0.000 1.100 55 R CA 0.834 56.950 56.100 0.027 0.000 0.980 55 R CB -0.352 29.958 30.300 0.017 0.000 0.875 55 R HN 0.203 nan 8.270 nan 0.000 0.445 56 L N 0.545 121.794 121.223 0.044 0.000 2.012 56 L HA -0.059 4.282 4.340 0.000 0.000 0.210 56 L C 2.120 178.999 176.870 0.017 0.000 1.073 56 L CA 2.159 57.019 54.840 0.034 0.000 0.748 56 L CB -1.006 41.071 42.059 0.030 0.000 0.891 56 L HN 0.153 nan 8.230 nan 0.000 0.431 57 G N -1.295 107.510 108.800 0.009 0.000 2.421 57 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 57 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 57 G C 1.448 176.351 174.900 0.004 0.000 1.171 57 G CA 0.842 45.943 45.100 0.002 0.000 0.775 57 G HN 0.531 nan 8.290 nan 0.000 0.543 58 E N -0.190 120.014 120.200 0.007 0.000 2.077 58 E HA -0.088 4.262 4.350 0.000 0.000 0.193 58 E C 2.808 179.413 176.600 0.008 0.000 0.989 58 E CA 1.463 57.867 56.400 0.006 0.000 0.800 58 E CB -0.209 29.494 29.700 0.006 0.000 0.746 58 E HN 0.324 nan 8.360 nan 0.000 0.452 59 T N 0.800 115.361 114.554 0.012 0.000 2.684 59 T HA -0.211 4.139 4.350 0.000 0.000 0.267 59 T C 1.795 176.502 174.700 0.012 0.000 1.036 59 T CA 1.153 63.262 62.100 0.015 0.000 1.148 59 T CB -0.176 68.705 68.868 0.021 0.000 0.863 59 T HN 0.115 nan 8.240 nan 0.000 0.436 60 R N 0.872 121.378 120.500 0.010 0.000 2.083 60 R HA -0.156 4.184 4.340 0.000 0.000 0.237 60 R C 1.882 178.185 176.300 0.005 0.000 1.137 60 R CA 1.887 57.991 56.100 0.007 0.000 0.951 60 R CB -0.426 29.876 30.300 0.003 0.000 0.851 60 R HN 0.356 nan 8.270 nan 0.000 0.434 61 D N 0.355 120.757 120.400 0.003 0.000 2.117 61 D HA -0.157 4.483 4.640 0.000 0.000 0.197 61 D C 2.055 178.357 176.300 0.003 0.000 0.987 61 D CA 1.202 55.203 54.000 0.002 0.000 0.829 61 D CB -0.198 40.602 40.800 0.001 0.000 0.961 61 D HN 0.376 nan 8.370 nan 0.000 0.460 62 Q N -0.024 119.779 119.800 0.005 0.000 2.084 62 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 62 Q C 2.494 178.497 176.000 0.005 0.000 0.978 62 Q CA 0.731 56.537 55.803 0.005 0.000 0.844 62 Q CB -0.051 28.691 28.738 0.007 0.000 0.898 62 Q HN 0.295 nan 8.270 nan 0.000 0.426 63 L N -0.070 121.157 121.223 0.008 0.000 2.056 63 L HA -0.160 4.180 4.340 0.000 0.000 0.207 63 L C 2.486 179.358 176.870 0.004 0.000 1.078 63 L CA 0.919 55.764 54.840 0.008 0.000 0.749 63 L CB -0.596 41.470 42.059 0.012 0.000 0.901 63 L HN 0.221 nan 8.230 nan 0.000 0.433 64 A N -0.201 122.621 122.820 0.003 0.000 1.933 64 A HA -0.228 4.092 4.320 0.000 0.000 0.218 64 A C 1.876 179.460 177.584 -0.001 0.000 1.175 64 A CA 1.899 53.937 52.037 0.001 0.000 0.628 64 A CB -0.493 18.507 19.000 -0.000 0.000 0.814 64 A HN 0.341 nan 8.150 nan 0.000 0.444 65 D N 0.143 120.543 120.400 -0.001 0.000 2.218 65 D HA -0.106 4.534 4.640 0.000 0.000 0.204 65 D C 1.723 178.021 176.300 -0.004 0.000 0.976 65 D CA 0.822 54.821 54.000 -0.002 0.000 0.853 65 D CB -0.338 40.461 40.800 -0.002 0.000 0.939 65 D HN 0.495 nan 8.370 nan 0.000 0.481 66 L N -0.184 121.037 121.223 -0.004 0.000 2.353 66 L HA -0.020 4.320 4.340 0.000 0.000 0.220 66 L C 1.452 178.318 176.870 -0.008 0.000 1.133 66 L CA 0.673 55.509 54.840 -0.007 0.000 0.798 66 L CB -0.663 41.393 42.059 -0.005 0.000 0.922 66 L HN 0.099 nan 8.230 nan 0.000 0.445 67 G N 0.323 109.120 108.800 -0.005 0.000 2.295 67 G HA2 -0.263 3.697 3.960 0.000 0.000 0.287 67 G HA3 -0.263 3.697 3.960 0.000 0.000 0.287 67 G C 0.203 175.099 174.900 -0.006 0.000 1.055 67 G CA 0.428 45.525 45.100 -0.006 0.000 0.922 67 G HN 0.281 nan 8.290 nan 0.000 0.503 68 L N -0.718 120.502 121.223 -0.004 0.000 2.719 68 L HA 0.795 5.136 4.340 0.000 0.000 0.182 68 L C 1.927 178.797 176.870 0.000 0.000 1.940 68 L CA -0.562 54.277 54.840 -0.003 0.000 2.839 68 L CB -0.503 41.555 42.059 -0.001 0.000 2.949 68 L HN 0.264 nan 8.230 nan 0.000 0.669 69 G N -0.697 108.104 108.800 0.003 0.000 2.508 69 G HA2 0.223 4.183 3.960 0.000 0.000 0.278 69 G HA3 0.223 4.183 3.960 0.000 0.000 0.278 69 G C -0.434 174.467 174.900 0.003 0.000 1.389 69 G CA -0.515 44.587 45.100 0.003 0.000 1.050 69 G HN 0.424 nan 8.290 nan 0.000 0.522 70 R N -1.189 119.312 120.500 0.002 0.000 2.585 70 R HA 0.228 4.568 4.340 0.000 0.000 0.275 70 R C -1.106 175.194 176.300 0.001 0.000 1.018 70 R CA 0.060 56.160 56.100 -0.000 0.000 1.072 70 R CB 0.128 30.427 30.300 -0.002 0.000 0.953 70 R HN 0.116 nan 8.270 nan 0.000 0.419 71 V N 5.061 124.975 119.914 -0.000 0.000 2.483 71 V HA 0.329 4.449 4.120 0.000 0.000 0.297 71 V C -0.585 175.507 176.094 -0.003 0.000 1.027 71 V CA -0.751 61.549 62.300 0.000 0.000 0.855 71 V CB 1.627 33.451 31.823 0.003 0.000 0.995 71 V HN 0.817 nan 8.190 nan 0.000 0.424 72 E N 2.824 123.021 120.200 -0.005 0.000 2.299 72 E HA 0.845 5.195 4.350 0.000 0.000 0.265 72 E C -0.543 176.052 176.600 -0.008 0.000 0.911 72 E CA -0.830 55.564 56.400 -0.009 0.000 0.789 72 E CB 3.022 32.713 29.700 -0.016 0.000 1.246 72 E HN 0.735 nan 8.360 nan 0.000 0.427 73 A N 1.203 124.017 122.820 -0.010 0.000 2.343 73 A HA 0.624 4.944 4.320 0.000 0.000 0.316 73 A C -0.944 176.630 177.584 -0.015 0.000 1.104 73 A CA -0.657 51.375 52.037 -0.009 0.000 0.768 73 A CB 1.150 20.147 19.000 -0.005 0.000 1.213 73 A HN 0.256 nan 8.150 nan 0.000 0.456 74 V N 3.078 122.983 119.914 -0.016 0.000 2.483 74 V HA 0.276 4.396 4.120 0.000 0.000 0.297 74 V C -0.007 176.075 176.094 -0.021 0.000 1.027 74 V CA -0.687 61.599 62.300 -0.023 0.000 0.855 74 V CB 1.635 33.441 31.823 -0.028 0.000 0.995 74 V HN 0.702 nan 8.190 nan 0.000 0.424 75 V N 3.779 123.674 119.914 -0.031 0.000 2.540 75 V HA 0.156 4.276 4.120 0.000 0.000 0.297 75 V C 0.275 176.352 176.094 -0.028 0.000 1.024 75 V CA 0.271 62.546 62.300 -0.043 0.000 1.105 75 V CB 0.882 32.659 31.823 -0.077 0.000 0.938 75 V HN 1.042 nan 8.190 nan 0.000 0.482 76 C N 5.310 124.608 119.300 -0.004 0.000 2.705 76 C HA 0.369 4.830 4.460 0.000 0.000 0.369 76 C C -0.718 174.320 174.990 0.081 0.000 1.069 76 C CA -1.021 58.011 59.018 0.022 0.000 1.260 76 C CB 0.973 28.719 27.740 0.010 0.000 1.764 76 C HN 0.943 nan 8.230 nan 0.000 0.469 77 D N 3.488 123.962 120.400 0.124 0.000 2.352 77 D HA 0.181 4.821 4.640 0.000 0.000 0.245 77 D C 1.311 177.642 176.300 0.051 0.000 1.224 77 D CA -0.064 54.044 54.000 0.180 0.000 0.879 77 D CB 1.436 42.393 40.800 0.262 0.000 1.057 77 D HN 0.663 nan 8.370 nan 0.000 0.491 78 V N 2.026 121.949 119.914 0.014 0.000 3.444 78 V HA -0.081 4.039 4.120 0.000 0.000 0.271 78 V C 1.679 177.757 176.094 -0.026 0.000 1.188 78 V CA 1.618 63.913 62.300 -0.008 0.000 1.168 78 V CB -1.362 30.453 31.823 -0.013 0.000 0.810 78 V HN 0.641 nan 8.190 nan 0.000 0.500 79 T N -2.804 111.726 114.554 -0.041 0.000 3.113 79 T HA 0.089 4.439 4.350 0.000 0.000 0.256 79 T C 1.033 175.720 174.700 -0.021 0.000 1.131 79 T CA 0.811 62.885 62.100 -0.043 0.000 1.074 79 T CB -0.163 68.664 68.868 -0.069 0.000 0.944 79 T HN 0.560 nan 8.240 nan 0.000 0.516 80 S N 0.674 116.370 115.700 -0.007 0.000 2.420 80 S HA 0.344 4.815 4.470 0.000 0.000 0.313 80 S C 1.220 175.819 174.600 -0.002 0.000 1.079 80 S CA -0.571 57.629 58.200 0.001 0.000 1.104 80 S CB 0.794 64.003 63.200 0.015 0.000 0.969 80 S HN 0.306 nan 8.310 nan 0.000 0.471 81 T N 4.483 119.035 114.554 -0.004 0.000 2.665 81 T HA -0.143 4.207 4.350 0.000 0.000 0.268 81 T C 2.310 177.006 174.700 -0.007 0.000 1.035 81 T CA 2.313 64.410 62.100 -0.006 0.000 1.151 81 T CB -0.710 68.155 68.868 -0.005 0.000 0.862 81 T HN 0.892 nan 8.240 nan 0.000 0.438 82 E N 1.002 121.199 120.200 -0.005 0.000 2.085 82 E HA 0.023 4.373 4.350 0.000 0.000 0.194 82 E C 2.310 178.905 176.600 -0.008 0.000 0.994 82 E CA 1.588 57.984 56.400 -0.007 0.000 0.801 82 E CB -1.090 28.607 29.700 -0.005 0.000 0.743 82 E HN 0.655 nan 8.360 nan 0.000 0.453 83 A N 0.148 122.966 122.820 -0.003 0.000 1.969 83 A HA 0.113 4.433 4.320 0.000 0.000 0.218 83 A C 2.683 180.262 177.584 -0.009 0.000 1.169 83 A CA 1.528 53.564 52.037 -0.003 0.000 0.635 83 A CB -0.265 18.742 19.000 0.011 0.000 0.810 83 A HN 0.431 nan 8.150 nan 0.000 0.445 84 V N 0.525 120.434 119.914 -0.009 0.000 2.453 84 V HA -0.191 3.929 4.120 0.000 0.000 0.247 84 V C 2.057 178.136 176.094 -0.025 0.000 1.048 84 V CA 2.127 64.418 62.300 -0.015 0.000 1.049 84 V CB -0.693 31.123 31.823 -0.011 0.000 0.672 84 V HN 0.478 nan 8.190 nan 0.000 0.457 85 D N 0.772 121.158 120.400 -0.023 0.000 2.117 85 D HA -0.110 4.530 4.640 0.000 0.000 0.197 85 D C 2.217 178.495 176.300 -0.037 0.000 0.987 85 D CA 1.645 55.627 54.000 -0.029 0.000 0.829 85 D CB -0.310 40.477 40.800 -0.022 0.000 0.961 85 D HN 0.436 nan 8.370 nan 0.000 0.460 86 A N 0.640 123.442 122.820 -0.031 0.000 2.015 86 A HA -0.110 4.210 4.320 0.000 0.000 0.219 86 A C 2.097 179.655 177.584 -0.044 0.000 1.163 86 A CA 0.732 52.748 52.037 -0.034 0.000 0.646 86 A CB -0.523 18.462 19.000 -0.026 0.000 0.806 86 A HN 0.224 nan 8.150 nan 0.000 0.448 87 L N -0.058 121.139 121.223 -0.043 0.000 1.994 87 L HA -0.141 4.199 4.340 0.000 0.000 0.208 87 L C 2.079 178.901 176.870 -0.081 0.000 1.071 87 L CA 1.775 56.585 54.840 -0.051 0.000 0.745 87 L CB -0.469 41.567 42.059 -0.038 0.000 0.892 87 L HN 0.307 nan 8.230 nan 0.000 0.431 88 I N -0.386 120.126 120.570 -0.097 0.000 2.179 88 I HA -0.258 3.912 4.170 0.000 0.000 0.242 88 I C 2.417 178.429 176.117 -0.175 0.000 1.088 88 I CA 1.776 62.979 61.300 -0.162 0.000 1.357 88 I CB -2.041 35.862 38.000 -0.162 0.000 1.051 88 I HN 0.297 nan 8.210 nan 0.000 0.409 89 T N 0.813 115.300 114.554 -0.111 0.000 2.684 89 T HA -0.226 4.124 4.350 0.000 0.000 0.267 89 T C 1.874 176.524 174.700 -0.082 0.000 1.036 89 T CA 1.384 63.432 62.100 -0.087 0.000 1.148 89 T CB -0.292 68.545 68.868 -0.050 0.000 0.863 89 T HN 0.431 nan 8.240 nan 0.000 0.436 90 Q N 0.253 120.009 119.800 -0.072 0.000 2.167 90 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 90 Q C 2.582 178.537 176.000 -0.074 0.000 0.970 90 Q CA 1.234 57.001 55.803 -0.061 0.000 0.855 90 Q CB -0.340 28.369 28.738 -0.048 0.000 0.911 90 Q HN 0.440 nan 8.270 nan 0.000 0.438 91 T N 0.556 115.048 114.554 -0.103 0.000 2.674 91 T HA -0.119 4.231 4.350 0.000 0.000 0.265 91 T C 2.032 176.653 174.700 -0.131 0.000 1.039 91 T CA 1.368 63.398 62.100 -0.117 0.000 1.150 91 T CB -0.191 68.585 68.868 -0.154 0.000 0.864 91 T HN 0.060 nan 8.240 nan 0.000 0.427 92 V N 1.429 121.233 119.914 -0.184 0.000 2.343 92 V HA -0.171 3.949 4.120 0.000 0.000 0.247 92 V C 2.438 178.492 176.094 -0.067 0.000 1.051 92 V CA 1.650 63.857 62.300 -0.156 0.000 1.036 92 V CB -0.649 31.052 31.823 -0.204 0.000 0.654 92 V HN 0.532 nan 8.190 nan 0.000 0.451 93 E N 0.253 120.419 120.200 -0.057 0.000 2.023 93 E HA -0.240 4.110 4.350 0.000 0.000 0.196 93 E C 2.331 178.915 176.600 -0.028 0.000 1.003 93 E CA 1.507 57.888 56.400 -0.032 0.000 0.809 93 E CB -0.173 29.509 29.700 -0.030 0.000 0.755 93 E HN 0.585 nan 8.360 nan 0.000 0.449 94 K N -0.072 120.307 120.400 -0.035 0.000 2.103 94 K HA -0.019 4.301 4.320 0.000 0.000 0.204 94 K C 1.763 178.349 176.600 -0.025 0.000 1.052 94 K CA 1.151 57.421 56.287 -0.028 0.000 0.945 94 K CB 0.123 32.605 32.500 -0.029 0.000 0.722 94 K HN 0.030 nan 8.250 nan 0.000 0.443 95 A N -0.211 122.588 122.820 -0.033 0.000 2.390 95 A HA 0.367 4.687 4.320 0.000 0.000 0.232 95 A C 1.372 178.946 177.584 -0.017 0.000 1.233 95 A CA 0.593 52.614 52.037 -0.026 0.000 0.907 95 A CB 0.247 19.227 19.000 -0.032 0.000 0.967 95 A HN 0.366 nan 8.150 nan 0.000 0.512 96 G N 0.069 108.861 108.800 -0.013 0.000 2.284 96 G HA2 -0.291 3.669 3.960 0.000 0.000 0.247 96 G HA3 -0.291 3.669 3.960 0.000 0.000 0.247 96 G C 0.357 175.282 174.900 0.042 0.000 1.012 96 G CA 0.749 45.857 45.100 0.013 0.000 0.618 96 G HN 1.401 nan 8.290 nan 0.000 0.521 97 R N -1.909 118.599 120.500 0.013 0.000 2.789 97 R HA 0.718 5.058 4.340 0.000 0.000 0.279 97 R C -2.132 174.123 176.300 -0.076 0.000 1.010 97 R CA -0.888 55.251 56.100 0.064 0.000 0.855 97 R CB 0.658 31.048 30.300 0.150 0.000 1.312 97 R HN 0.879 nan 8.270 nan 0.000 0.479 98 L N 0.766 121.932 121.223 -0.096 0.000 2.385 98 L HA 0.514 4.854 4.340 0.000 0.000 0.273 98 L C -0.764 176.284 176.870 0.295 0.000 0.990 98 L CA -0.063 54.714 54.840 -0.105 0.000 0.821 98 L CB 2.092 43.831 42.059 -0.534 0.000 1.279 98 L HN 0.801 nan 8.230 nan 0.000 0.412 99 D N 2.905 123.461 120.400 0.260 0.000 2.531 99 D HA 0.214 4.854 4.640 0.000 0.000 0.263 99 D C -0.485 176.018 176.300 0.339 0.000 1.057 99 D CA 0.773 54.979 54.000 0.344 0.000 0.909 99 D CB 1.310 42.187 40.800 0.129 0.000 1.236 99 D HN 0.281 nan 8.370 nan 0.000 0.494 100 V N 2.089 122.144 119.914 0.235 0.000 2.686 100 V HA 0.325 4.446 4.120 0.000 0.000 0.306 100 V C -1.049 175.137 176.094 0.153 0.000 1.065 100 V CA -0.912 61.495 62.300 0.178 0.000 0.894 100 V CB 2.804 34.686 31.823 0.098 0.000 1.004 100 V HN -0.023 nan 8.190 nan 0.000 0.424 101 L N 6.120 127.442 121.223 0.164 0.000 2.305 101 L HA 0.759 5.099 4.340 0.000 0.000 0.284 101 L C -0.648 176.268 176.870 0.076 0.000 1.013 101 L CA -0.053 54.853 54.840 0.109 0.000 0.819 101 L CB 1.763 43.899 42.059 0.129 0.000 1.227 101 L HN 0.460 nan 8.230 nan 0.000 0.417 102 V N 5.230 125.176 119.914 0.054 0.000 2.328 102 V HA 0.437 4.558 4.120 0.000 0.000 0.278 102 V C -0.182 175.930 176.094 0.031 0.000 1.021 102 V CA -0.695 61.630 62.300 0.042 0.000 0.838 102 V CB 1.063 32.911 31.823 0.042 0.000 0.999 102 V HN 0.707 nan 8.190 nan 0.000 0.447 103 N N 4.736 123.450 118.700 0.024 0.000 2.521 103 N HA 0.249 4.990 4.740 0.000 0.000 0.236 103 N C 0.519 176.031 175.510 0.003 0.000 1.067 103 N CA -0.078 52.979 53.050 0.012 0.000 0.939 103 N CB 1.076 39.566 38.487 0.005 0.000 1.201 103 N HN 0.551 nan 8.380 nan 0.000 0.511 104 N N 0.885 119.591 118.700 0.010 0.000 2.439 104 N HA 0.015 4.755 4.740 0.000 0.000 0.176 104 N C 0.477 175.991 175.510 0.006 0.000 1.029 104 N CA 0.071 53.127 53.050 0.010 0.000 0.886 104 N CB 0.020 38.520 38.487 0.023 0.000 1.057 104 N HN 0.476 nan 8.380 nan 0.000 0.437 105 A N 0.783 123.608 122.820 0.008 0.000 2.608 105 A HA 0.403 4.723 4.320 0.000 0.000 0.239 105 A C 0.731 178.310 177.584 -0.008 0.000 1.018 105 A CA 1.016 53.058 52.037 0.007 0.000 0.766 105 A CB -0.376 18.626 19.000 0.004 0.000 0.928 105 A HN 0.324 nan 8.150 nan 0.000 0.512 106 G N 0.130 108.934 108.800 0.007 0.000 2.667 106 G HA2 0.580 4.540 3.960 0.000 0.000 0.294 106 G HA3 0.580 4.540 3.960 0.000 0.000 0.294 106 G C -1.775 173.153 174.900 0.047 0.000 1.467 106 G CA -0.573 44.536 45.100 0.015 0.000 0.852 106 G HN 1.427 nan 8.290 nan 0.000 0.521 107 L N 1.720 122.978 121.223 0.058 0.000 2.372 107 L HA 0.798 5.139 4.340 0.000 0.000 0.274 107 L C 0.718 177.612 176.870 0.039 0.000 0.988 107 L CA -0.006 54.844 54.840 0.017 0.000 0.833 107 L CB 1.427 43.460 42.059 -0.044 0.000 1.236 107 L HN 0.912 nan 8.230 nan 0.000 0.410 108 G N 2.241 110.954 108.800 -0.144 0.000 2.553 108 G HA2 0.693 4.653 3.960 0.000 0.000 0.278 108 G HA3 0.693 4.653 3.960 0.000 0.000 0.278 108 G C -0.262 174.424 174.900 -0.356 0.000 1.349 108 G CA -0.015 44.798 45.100 -0.478 0.000 1.037 108 G HN 1.153 nan 8.290 nan 0.000 0.508 109 G N -2.178 106.405 108.800 -0.361 0.000 2.322 109 G HA2 0.475 4.436 3.960 0.000 0.000 0.295 109 G HA3 0.475 4.436 3.960 0.000 0.000 0.295 109 G C -1.642 173.306 174.900 0.080 0.000 1.369 109 G CA -0.398 44.624 45.100 -0.131 0.000 0.821 109 G HN 0.747 nan 8.290 nan 0.000 0.536 110 Q N -0.039 119.876 119.800 0.192 0.000 2.650 110 Q HA 0.607 4.947 4.340 0.000 0.000 0.239 110 Q C -1.561 174.523 176.000 0.139 0.000 0.893 110 Q CA -0.433 55.472 55.803 0.169 0.000 0.755 110 Q CB 1.358 30.144 28.738 0.080 0.000 1.349 110 Q HN 0.601 nan 8.270 nan 0.000 0.461 111 T N 4.746 119.352 114.554 0.087 0.000 3.237 111 T HA 0.417 4.767 4.350 0.000 0.000 0.319 111 T C -2.845 171.809 174.700 -0.077 0.000 1.037 111 T CA -0.948 61.151 62.100 -0.002 0.000 1.048 111 T CB 1.592 70.449 68.868 -0.019 0.000 1.081 111 T HN 0.369 nan 8.240 nan 0.000 0.455 112 P HA 0.197 nan 4.420 nan 0.000 0.272 112 P C 1.147 178.394 177.300 -0.088 0.000 1.223 112 P CA -0.338 62.719 63.100 -0.071 0.000 0.784 112 P CB 0.851 32.547 31.700 -0.008 0.000 0.923 113 V N 2.536 122.384 119.914 -0.111 0.000 2.324 113 V HA -0.247 3.873 4.120 0.000 0.000 0.250 113 V C 2.515 178.555 176.094 -0.090 0.000 1.060 113 V CA 2.665 64.901 62.300 -0.105 0.000 1.042 113 V CB -1.348 30.407 31.823 -0.113 0.000 0.650 113 V HN 0.538 nan 8.190 nan 0.000 0.450 114 V N -1.594 118.278 119.914 -0.069 0.000 2.594 114 V HA -0.180 3.940 4.120 0.000 0.000 0.253 114 V C 1.611 177.683 176.094 -0.036 0.000 1.069 114 V CA 2.323 64.594 62.300 -0.049 0.000 1.082 114 V CB -0.705 31.100 31.823 -0.029 0.000 0.680 114 V HN 0.522 nan 8.190 nan 0.000 0.469 115 D N -0.733 119.650 120.400 -0.028 0.000 2.398 115 D HA 0.280 4.920 4.640 0.000 0.000 0.210 115 D C 0.758 177.052 176.300 -0.009 0.000 1.094 115 D CA -0.072 53.922 54.000 -0.011 0.000 0.839 115 D CB 0.217 41.020 40.800 0.005 0.000 0.963 115 D HN 0.477 nan 8.370 nan 0.000 0.506 116 M N 2.078 121.661 119.600 -0.027 0.000 2.252 116 M HA 0.045 4.525 4.480 0.000 0.000 0.348 116 M C 0.254 176.561 176.300 0.011 0.000 1.334 116 M CA 0.012 55.310 55.300 -0.005 0.000 1.071 116 M CB 0.396 32.976 32.600 -0.032 0.000 1.763 116 M HN -0.040 nan 8.290 nan 0.000 0.452 117 T N 0.840 115.428 114.554 0.057 0.000 2.909 117 T HA 0.350 4.700 4.350 0.000 0.000 0.286 117 T C 0.588 175.349 174.700 0.101 0.000 1.002 117 T CA -0.918 61.216 62.100 0.058 0.000 1.074 117 T CB 0.849 69.753 68.868 0.061 0.000 0.984 117 T HN 0.657 nan 8.240 nan 0.000 0.495 118 D N 1.278 121.719 120.400 0.068 0.000 2.149 118 D HA -0.076 4.564 4.640 0.000 0.000 0.198 118 D C 1.836 178.228 176.300 0.154 0.000 0.990 118 D CA 1.275 55.337 54.000 0.103 0.000 0.839 118 D CB -0.093 40.737 40.800 0.049 0.000 0.948 118 D HN 0.726 nan 8.370 nan 0.000 0.460 119 E N 0.663 120.927 120.200 0.107 0.000 2.077 119 E HA -0.149 4.201 4.350 0.000 0.000 0.193 119 E C 1.931 178.598 176.600 0.112 0.000 0.989 119 E CA 0.851 57.306 56.400 0.092 0.000 0.800 119 E CB -0.165 29.571 29.700 0.060 0.000 0.746 119 E HN 0.432 nan 8.360 nan 0.000 0.452 120 E N -0.209 120.076 120.200 0.142 0.000 2.046 120 E HA -0.171 4.179 4.350 0.000 0.000 0.190 120 E C 1.749 178.479 176.600 0.218 0.000 0.982 120 E CA 0.779 57.277 56.400 0.163 0.000 0.800 120 E CB -0.242 29.576 29.700 0.198 0.000 0.756 120 E HN 0.425 nan 8.360 nan 0.000 0.449 121 W N 2.012 123.371 121.300 0.099 0.000 2.318 121 W HA -0.239 4.421 4.660 0.000 0.000 0.313 121 W C 1.245 177.804 176.519 0.066 0.000 1.221 121 W CA 1.921 59.328 57.345 0.103 0.000 1.266 121 W CB -0.324 29.167 29.460 0.052 0.000 1.150 121 W HN 0.141 nan 8.180 nan 0.000 0.496 122 D N -0.381 120.153 120.400 0.224 0.000 2.178 122 D HA -0.163 4.477 4.640 0.000 0.000 0.202 122 D C 2.229 178.525 176.300 -0.007 0.000 0.974 122 D CA 1.427 55.490 54.000 0.105 0.000 0.841 122 D CB -0.378 40.503 40.800 0.135 0.000 0.953 122 D HN 0.232 nan 8.370 nan 0.000 0.478 123 R N 0.476 120.979 120.500 0.004 0.000 2.066 123 R HA -0.078 4.262 4.340 0.000 0.000 0.232 123 R C 2.076 178.325 176.300 -0.085 0.000 1.131 123 R CA 0.910 56.990 56.100 -0.034 0.000 0.955 123 R CB -0.285 30.006 30.300 -0.015 0.000 0.851 123 R HN -0.035 nan 8.270 nan 0.000 0.432 124 V N 1.622 121.468 119.914 -0.114 0.000 2.287 124 V HA -0.276 3.844 4.120 0.000 0.000 0.248 124 V C 2.426 178.387 176.094 -0.222 0.000 1.053 124 V CA 1.896 64.088 62.300 -0.180 0.000 1.027 124 V CB -0.432 31.239 31.823 -0.253 0.000 0.646 124 V HN 0.357 nan 8.190 nan 0.000 0.447 125 L N 0.207 121.253 121.223 -0.294 0.000 2.042 125 L HA -0.216 4.124 4.340 0.000 0.000 0.210 125 L C 2.485 179.263 176.870 -0.154 0.000 1.076 125 L CA 1.947 56.630 54.840 -0.262 0.000 0.749 125 L CB -0.738 41.158 42.059 -0.272 0.000 0.893 125 L HN 0.417 nan 8.230 nan 0.000 0.432 126 N N -0.164 118.468 118.700 -0.114 0.000 2.142 126 N HA -0.135 4.605 4.740 0.000 0.000 0.186 126 N C 1.641 177.102 175.510 -0.081 0.000 1.023 126 N CA 1.271 54.275 53.050 -0.077 0.000 0.852 126 N CB -0.016 38.437 38.487 -0.057 0.000 0.998 126 N HN 0.050 nan 8.380 nan 0.000 0.424 127 V N -0.494 119.365 119.914 -0.092 0.000 2.535 127 V HA -0.047 4.074 4.120 0.000 0.000 0.246 127 V C 1.868 177.913 176.094 -0.082 0.000 1.045 127 V CA 1.800 64.050 62.300 -0.083 0.000 1.058 127 V CB -0.397 31.376 31.823 -0.082 0.000 0.689 127 V HN 0.373 nan 8.190 nan 0.000 0.461 128 T N -0.256 114.232 114.554 -0.110 0.000 3.010 128 T HA 0.066 4.417 4.350 0.000 0.000 0.252 128 T C 1.558 176.170 174.700 -0.147 0.000 1.047 128 T CA 1.223 63.242 62.100 -0.136 0.000 1.140 128 T CB 0.223 68.970 68.868 -0.201 0.000 0.885 128 T HN 0.273 nan 8.240 nan 0.000 0.464 129 L N 0.278 121.417 121.223 -0.141 0.000 2.519 129 L HA 0.339 4.679 4.340 0.000 0.000 0.194 129 L C 2.293 179.114 176.870 -0.082 0.000 1.072 129 L CA 1.307 56.074 54.840 -0.123 0.000 0.845 129 L CB -0.865 41.109 42.059 -0.141 0.000 1.138 129 L HN -0.002 nan 8.230 nan 0.000 0.487 130 T N 0.121 114.631 114.554 -0.073 0.000 2.788 130 T HA -0.168 4.182 4.350 0.000 0.000 0.268 130 T C 2.017 176.693 174.700 -0.039 0.000 1.044 130 T CA 1.730 63.801 62.100 -0.048 0.000 1.139 130 T CB -0.577 68.267 68.868 -0.040 0.000 0.867 130 T HN 0.645 nan 8.240 nan 0.000 0.454 131 S N 1.589 117.261 115.700 -0.046 0.000 2.374 131 S HA -0.138 4.332 4.470 0.000 0.000 0.227 131 S C 2.150 176.734 174.600 -0.027 0.000 1.037 131 S CA 1.319 59.498 58.200 -0.035 0.000 1.024 131 S CB -1.074 62.103 63.200 -0.040 0.000 0.861 131 S HN 0.338 nan 8.310 nan 0.000 0.456 132 V N 2.221 122.114 119.914 -0.035 0.000 2.343 132 V HA -0.139 3.981 4.120 0.000 0.000 0.247 132 V C 2.733 178.821 176.094 -0.010 0.000 1.051 132 V CA 2.014 64.299 62.300 -0.024 0.000 1.036 132 V CB -0.878 30.921 31.823 -0.041 0.000 0.654 132 V HN 0.535 nan 8.190 nan 0.000 0.451 133 M N 0.326 119.918 119.600 -0.015 0.000 2.080 133 M HA -0.184 4.296 4.480 0.000 0.000 0.260 133 M C 2.407 178.710 176.300 0.005 0.000 1.068 133 M CA 1.942 57.241 55.300 -0.002 0.000 1.109 133 M CB -0.794 31.802 32.600 -0.007 0.000 1.342 133 M HN 0.261 nan 8.290 nan 0.000 0.405 134 R N -0.238 120.260 120.500 -0.003 0.000 2.083 134 R HA -0.130 4.210 4.340 0.000 0.000 0.237 134 R C 2.252 178.553 176.300 0.002 0.000 1.137 134 R CA 1.835 57.934 56.100 -0.002 0.000 0.951 134 R CB -0.666 29.629 30.300 -0.009 0.000 0.851 134 R HN 0.547 nan 8.270 nan 0.000 0.434 135 A N 0.154 122.976 122.820 0.003 0.000 1.929 135 A HA -0.081 4.239 4.320 0.000 0.000 0.216 135 A C 2.142 179.743 177.584 0.028 0.000 1.176 135 A CA 1.531 53.573 52.037 0.007 0.000 0.628 135 A CB -0.505 18.499 19.000 0.006 0.000 0.816 135 A HN 0.259 nan 8.150 nan 0.000 0.444 136 T N -0.616 113.962 114.554 0.040 0.000 2.777 136 T HA -0.125 4.225 4.350 0.000 0.000 0.266 136 T C 2.063 176.809 174.700 0.077 0.000 1.040 136 T CA 1.435 63.579 62.100 0.072 0.000 1.141 136 T CB -0.215 68.690 68.868 0.062 0.000 0.868 136 T HN 0.584 nan 8.240 nan 0.000 0.444 137 R N 1.058 121.586 120.500 0.047 0.000 2.073 137 R HA -0.038 4.303 4.340 0.000 0.000 0.234 137 R C 2.586 178.898 176.300 0.020 0.000 1.134 137 R CA 1.520 57.642 56.100 0.037 0.000 0.952 137 R CB -0.481 29.831 30.300 0.021 0.000 0.850 137 R HN 0.352 nan 8.270 nan 0.000 0.433 138 A N 0.653 123.477 122.820 0.007 0.000 1.902 138 A HA -0.063 4.257 4.320 0.000 0.000 0.217 138 A C 2.349 179.921 177.584 -0.020 0.000 1.181 138 A CA 1.614 53.642 52.037 -0.014 0.000 0.623 138 A CB -0.718 18.266 19.000 -0.027 0.000 0.818 138 A HN 0.569 nan 8.150 nan 0.000 0.443 139 A N -0.155 122.666 122.820 0.003 0.000 1.873 139 A HA -0.011 4.310 4.320 0.000 0.000 0.215 139 A C 2.156 179.787 177.584 0.078 0.000 1.186 139 A CA 1.415 53.444 52.037 -0.014 0.000 0.616 139 A CB -0.641 18.425 19.000 0.110 0.000 0.823 139 A HN 0.454 nan 8.150 nan 0.000 0.442 140 L N -1.058 120.280 121.223 0.191 0.000 2.079 140 L HA -0.213 4.127 4.340 0.000 0.000 0.210 140 L C 2.862 179.679 176.870 -0.087 0.000 1.081 140 L CA 1.548 56.508 54.840 0.200 0.000 0.752 140 L CB -0.493 41.699 42.059 0.220 0.000 0.896 140 L HN 0.378 nan 8.230 nan 0.000 0.433 141 R N -1.142 119.300 120.500 -0.096 0.000 2.096 141 R HA -0.212 4.128 4.340 0.000 0.000 0.235 141 R C 2.274 178.476 176.300 -0.164 0.000 1.127 141 R CA 1.635 57.632 56.100 -0.172 0.000 0.968 141 R CB -0.490 29.750 30.300 -0.099 0.000 0.861 141 R HN 0.324 nan 8.270 nan 0.000 0.440 142 Y N 0.492 120.652 120.300 -0.234 0.000 2.163 142 Y HA -0.201 4.350 4.550 0.000 0.000 0.288 142 Y C 1.684 177.422 175.900 -0.270 0.000 1.136 142 Y CA 1.385 59.316 58.100 -0.281 0.000 1.147 142 Y CB -0.320 37.912 38.460 -0.381 0.000 0.987 142 Y HN -0.139 nan 8.280 nan 0.000 0.509 143 F N 0.777 120.580 119.950 -0.245 0.000 2.171 143 F HA -0.117 4.410 4.527 0.000 0.000 0.300 143 F C 2.742 178.318 175.800 -0.373 0.000 1.090 143 F CA 1.777 59.579 58.000 -0.330 0.000 1.293 143 F CB -0.925 38.068 39.000 -0.012 0.000 1.013 143 F HN 0.009 nan 8.300 nan 0.000 0.486 144 R N 0.414 120.715 120.500 -0.332 0.000 2.117 144 R HA -0.150 4.190 4.340 0.000 0.000 0.243 144 R C 2.215 178.342 176.300 -0.288 0.000 1.143 144 R CA 1.563 57.350 56.100 -0.522 0.000 0.968 144 R CB -0.849 28.855 30.300 -0.994 0.000 0.863 144 R HN 0.359 nan 8.270 nan 0.000 0.444 145 G N 0.074 108.675 108.800 -0.332 0.000 2.920 145 G HA2 0.116 4.077 3.960 0.000 0.000 0.208 145 G HA3 0.116 4.077 3.960 0.000 0.000 0.208 145 G C 0.270 174.991 174.900 -0.298 0.000 1.159 145 G CA 0.517 45.451 45.100 -0.276 0.000 0.784 145 G HN 0.262 nan 8.290 nan 0.000 0.535 146 V N -4.372 115.309 119.914 -0.387 0.000 3.164 146 V HA 0.617 4.737 4.120 0.000 0.000 0.313 146 V C -0.153 175.774 176.094 -0.277 0.000 1.188 146 V CA -0.863 61.208 62.300 -0.381 0.000 1.058 146 V CB 2.040 33.465 31.823 -0.663 0.000 1.110 146 V HN -0.106 nan 8.190 nan 0.000 0.453 147 D N -0.767 119.496 120.400 -0.228 0.000 2.407 147 D HA 0.085 4.725 4.640 0.000 0.000 0.208 147 D C 1.299 177.570 176.300 -0.048 0.000 1.083 147 D CA 1.247 55.188 54.000 -0.097 0.000 0.844 147 D CB 0.168 40.952 40.800 -0.027 0.000 0.967 147 D HN 0.995 nan 8.370 nan 0.000 0.506 148 H N -0.525 118.573 119.070 0.047 0.000 2.563 148 H HA 0.407 4.963 4.556 0.000 0.000 0.264 148 H C 1.271 176.627 175.328 0.046 0.000 0.957 148 H CA 0.294 56.376 56.048 0.056 0.000 1.173 148 H CB -0.084 29.727 29.762 0.081 0.000 1.420 148 H HN 0.034 nan 8.280 nan 0.000 0.551 149 G N -0.639 108.188 108.800 0.044 0.000 2.645 149 G HA2 0.190 4.151 3.960 0.000 0.000 0.246 149 G HA3 0.190 4.151 3.960 0.000 0.000 0.246 149 G C 0.236 175.104 174.900 -0.053 0.000 1.322 149 G CA 0.051 45.129 45.100 -0.037 0.000 0.898 149 G HN 1.358 nan 8.290 nan 0.000 0.573 150 G N -3.584 104.970 108.800 -0.410 0.000 2.335 150 G HA2 0.681 4.641 3.960 0.000 0.000 0.291 150 G HA3 0.681 4.641 3.960 0.000 0.000 0.291 150 G C -1.516 173.142 174.900 -0.403 0.000 1.261 150 G CA 0.677 45.514 45.100 -0.437 0.000 0.871 150 G HN 1.913 nan 8.290 nan 0.000 0.491 151 V N 0.297 120.075 119.914 -0.226 0.000 2.888 151 V HA 0.629 4.749 4.120 0.000 0.000 0.309 151 V C -0.574 175.520 176.094 -0.001 0.000 1.114 151 V CA -0.540 61.691 62.300 -0.116 0.000 0.940 151 V CB 1.829 33.615 31.823 -0.061 0.000 1.021 151 V HN 0.716 nan 8.190 nan 0.000 0.426 152 I N 3.340 123.914 120.570 0.007 0.000 2.530 152 I HA 0.653 4.823 4.170 0.000 0.000 0.297 152 I C -0.918 175.213 176.117 0.023 0.000 1.011 152 I CA -1.005 60.331 61.300 0.059 0.000 1.107 152 I CB 2.236 40.290 38.000 0.090 0.000 1.285 152 I HN 0.286 nan 8.210 nan 0.000 0.436 153 V N 5.028 124.960 119.914 0.030 0.000 2.444 153 V HA 0.413 4.533 4.120 0.000 0.000 0.294 153 V C -0.387 175.717 176.094 0.016 0.000 1.022 153 V CA -0.829 61.481 62.300 0.018 0.000 0.850 153 V CB 1.485 33.322 31.823 0.023 0.000 0.992 153 V HN 0.630 nan 8.190 nan 0.000 0.426 154 N N 3.056 121.758 118.700 0.003 0.000 2.492 154 N HA 0.358 5.099 4.740 0.000 0.000 0.289 154 N C -0.622 174.876 175.510 -0.020 0.000 1.133 154 N CA -0.500 52.542 53.050 -0.012 0.000 0.961 154 N CB 1.488 39.959 38.487 -0.027 0.000 1.186 154 N HN 0.649 nan 8.380 nan 0.000 0.493 155 N N 0.546 119.226 118.700 -0.033 0.000 2.511 155 N HA 0.449 5.189 4.740 0.000 0.000 0.249 155 N C -0.626 174.833 175.510 -0.085 0.000 0.971 155 N CA -0.356 52.671 53.050 -0.039 0.000 0.938 155 N CB 1.108 39.585 38.487 -0.017 0.000 1.131 155 N HN 0.571 nan 8.380 nan 0.000 0.505 156 A N 2.502 125.251 122.820 -0.118 0.000 3.591 156 A HA 0.761 5.081 4.320 0.000 0.000 0.163 156 A C -0.026 177.438 177.584 -0.201 0.000 1.876 156 A CA -0.073 51.843 52.037 -0.202 0.000 1.380 156 A CB -0.244 18.596 19.000 -0.267 0.000 1.777 156 A HN 0.668 nan 8.150 nan 0.000 0.720 157 S N -3.557 111.977 115.700 -0.276 0.000 2.608 157 S HA 0.211 4.681 4.470 0.000 0.000 0.285 157 S C 0.156 174.583 174.600 -0.287 0.000 1.108 157 S CA 0.154 58.240 58.200 -0.190 0.000 0.858 157 S CB 0.809 63.953 63.200 -0.093 0.000 1.077 157 S HN 1.662 nan 8.310 nan 0.000 0.450 158 V N 4.793 124.639 119.914 -0.113 0.000 2.568 158 V HA -0.066 4.054 4.120 0.000 0.000 0.253 158 V C 1.897 177.986 176.094 -0.010 0.000 1.072 158 V CA 2.399 64.701 62.300 0.003 0.000 1.084 158 V CB -0.791 31.121 31.823 0.148 0.000 0.676 158 V HN 0.763 nan 8.190 nan 0.000 0.469 159 L N 0.254 121.467 121.223 -0.018 0.000 2.353 159 L HA -0.028 4.312 4.340 0.000 0.000 0.220 159 L C 2.504 179.327 176.870 -0.078 0.000 1.133 159 L CA 1.172 56.028 54.840 0.026 0.000 0.798 159 L CB -0.927 41.228 42.059 0.160 0.000 0.922 159 L HN 0.493 nan 8.230 nan 0.000 0.445 160 G N -0.881 107.750 108.800 -0.281 0.000 2.448 160 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 160 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 160 G C 1.152 175.900 174.900 -0.252 0.000 1.127 160 G CA 0.255 45.130 45.100 -0.375 0.000 0.766 160 G HN 0.376 nan 8.290 nan 0.000 0.552 161 W N -0.125 121.177 121.300 0.003 0.000 2.735 161 W HA 0.387 5.047 4.660 0.000 0.000 0.264 161 W C 1.352 177.882 176.519 0.018 0.000 1.233 161 W CA -0.805 56.545 57.345 0.008 0.000 1.408 161 W CB -0.107 29.355 29.460 0.004 0.000 1.038 161 W HN 0.005 nan 8.180 nan 0.000 0.603 162 R N 1.568 122.208 120.500 0.233 0.000 2.390 162 R HA 0.430 4.770 4.340 0.000 0.000 0.291 162 R C -0.088 176.284 176.300 0.119 0.000 1.070 162 R CA -0.040 56.157 56.100 0.161 0.000 1.014 162 R CB 0.900 31.284 30.300 0.140 0.000 1.007 162 R HN -0.176 nan 8.270 nan 0.000 0.466 163 A N 4.414 127.295 122.820 0.101 0.000 2.350 163 A HA 0.159 4.479 4.320 0.000 0.000 0.293 163 A C -0.555 177.082 177.584 0.088 0.000 1.231 163 A CA -0.235 51.852 52.037 0.084 0.000 0.883 163 A CB 0.603 19.645 19.000 0.070 0.000 1.133 163 A HN 0.717 nan 8.150 nan 0.000 0.533 164 Q N 1.907 121.762 119.800 0.092 0.000 2.274 164 Q HA 0.211 4.551 4.340 0.000 0.000 0.268 164 Q C -0.658 175.414 176.000 0.119 0.000 1.015 164 Q CA -0.511 55.358 55.803 0.110 0.000 0.775 164 Q CB 0.844 29.649 28.738 0.112 0.000 1.256 164 Q HN 0.834 nan 8.270 nan 0.000 0.442 165 H N 2.729 121.827 119.070 0.048 0.000 3.094 165 H HA 0.003 4.559 4.556 0.000 0.000 0.320 165 H C -0.077 175.278 175.328 0.046 0.000 1.000 165 H CA 2.343 58.415 56.048 0.040 0.000 1.413 165 H CB 0.614 30.393 29.762 0.028 0.000 1.405 165 H HN 0.997 nan 8.280 nan 0.000 0.586 166 S N 3.122 118.833 115.700 0.020 0.000 3.361 166 S HA -0.150 4.320 4.470 0.000 0.000 0.288 166 S C 0.775 175.447 174.600 0.119 0.000 1.269 166 S CA 1.000 59.252 58.200 0.087 0.000 0.976 166 S CB -0.737 62.597 63.200 0.224 0.000 1.162 166 S HN 0.751 nan 8.310 nan 0.000 0.643 167 Q N -0.314 119.568 119.800 0.136 0.000 2.135 167 Q HA 0.262 4.602 4.340 0.000 0.000 0.222 167 Q C 1.662 177.836 176.000 0.289 0.000 0.808 167 Q CA 0.719 56.677 55.803 0.259 0.000 1.049 167 Q CB 0.612 29.471 28.738 0.202 0.000 1.168 167 Q HN 0.732 nan 8.270 nan 0.000 0.483 168 S N 0.597 116.403 115.700 0.177 0.000 2.383 168 S HA -0.227 4.243 4.470 0.000 0.000 0.229 168 S C 1.760 176.531 174.600 0.285 0.000 1.030 168 S CA 1.741 60.073 58.200 0.221 0.000 1.002 168 S CB -0.481 62.845 63.200 0.209 0.000 0.829 168 S HN 0.535 nan 8.310 nan 0.000 0.467 169 H N 0.384 119.520 119.070 0.109 0.000 2.293 169 H HA -0.068 4.488 4.556 0.000 0.000 0.300 169 H C 2.010 177.173 175.328 -0.276 0.000 1.082 169 H CA 1.690 57.528 56.048 -0.350 0.000 1.308 169 H CB -1.655 27.969 29.762 -0.231 0.000 1.375 169 H HN 0.562 nan 8.280 nan 0.000 0.495 170 Y N 1.665 121.950 120.300 -0.025 0.000 2.220 170 Y HA 0.045 4.596 4.550 0.000 0.000 0.291 170 Y C 2.851 178.684 175.900 -0.112 0.000 1.129 170 Y CA 1.503 59.496 58.100 -0.179 0.000 1.161 170 Y CB -0.631 37.714 38.460 -0.191 0.000 0.997 170 Y HN 0.318 nan 8.280 nan 0.000 0.522 171 A N 0.440 123.287 122.820 0.045 0.000 1.877 171 A HA -0.125 4.195 4.320 0.000 0.000 0.216 171 A C 2.421 179.936 177.584 -0.115 0.000 1.186 171 A CA 1.957 53.971 52.037 -0.039 0.000 0.620 171 A CB -1.509 17.530 19.000 0.066 0.000 0.822 171 A HN 0.567 nan 8.150 nan 0.000 0.443 172 A N -0.127 122.649 122.820 -0.074 0.000 1.877 172 A HA 0.147 4.467 4.320 0.000 0.000 0.216 172 A C 2.533 180.009 177.584 -0.179 0.000 1.186 172 A CA 2.221 54.209 52.037 -0.081 0.000 0.620 172 A CB -1.114 17.885 19.000 -0.002 0.000 0.822 172 A HN 1.100 nan 8.150 nan 0.000 0.443 173 A N -0.350 122.299 122.820 -0.285 0.000 1.908 173 A HA -0.178 4.142 4.320 0.000 0.000 0.218 173 A C 2.112 179.508 177.584 -0.312 0.000 1.181 173 A CA 1.909 53.763 52.037 -0.305 0.000 0.627 173 A CB -0.360 18.425 19.000 -0.358 0.000 0.818 173 A HN 0.373 nan 8.150 nan 0.000 0.445 174 K N -0.278 119.877 120.400 -0.409 0.000 2.103 174 K HA 0.042 4.362 4.320 0.000 0.000 0.204 174 K C 2.285 178.695 176.600 -0.317 0.000 1.052 174 K CA 1.195 57.234 56.287 -0.412 0.000 0.945 174 K CB -0.793 31.379 32.500 -0.546 0.000 0.722 174 K HN 0.445 nan 8.250 nan 0.000 0.443 175 A N 1.296 123.957 122.820 -0.264 0.000 1.908 175 A HA -0.108 4.212 4.320 0.000 0.000 0.218 175 A C 2.484 179.983 177.584 -0.141 0.000 1.181 175 A CA 2.143 54.061 52.037 -0.198 0.000 0.627 175 A CB -1.191 17.740 19.000 -0.115 0.000 0.818 175 A HN 0.377 nan 8.150 nan 0.000 0.445 176 G N -0.528 108.192 108.800 -0.132 0.000 2.440 176 G HA2 -0.170 3.790 3.960 0.000 0.000 0.218 176 G HA3 -0.170 3.790 3.960 0.000 0.000 0.218 176 G C 1.502 176.340 174.900 -0.103 0.000 1.154 176 G CA 1.322 46.363 45.100 -0.099 0.000 0.767 176 G HN 0.349 nan 8.290 nan 0.000 0.552 177 V N 1.016 120.844 119.914 -0.143 0.000 2.407 177 V HA -0.209 3.911 4.120 0.000 0.000 0.248 177 V C 2.897 178.927 176.094 -0.106 0.000 1.055 177 V CA 2.080 64.304 62.300 -0.127 0.000 1.049 177 V CB -0.392 31.334 31.823 -0.161 0.000 0.662 177 V HN 0.400 nan 8.190 nan 0.000 0.455 178 M N -0.064 119.458 119.600 -0.130 0.000 2.086 178 M HA -0.141 4.339 4.480 0.000 0.000 0.261 178 M C 2.429 178.706 176.300 -0.038 0.000 1.067 178 M CA 2.208 57.453 55.300 -0.091 0.000 1.116 178 M CB -0.637 31.889 32.600 -0.123 0.000 1.348 178 M HN 0.375 nan 8.290 nan 0.000 0.407 179 A N 0.474 123.272 122.820 -0.037 0.000 1.877 179 A HA -0.167 4.153 4.320 0.000 0.000 0.216 179 A C 2.130 179.705 177.584 -0.015 0.000 1.186 179 A CA 1.501 53.529 52.037 -0.014 0.000 0.620 179 A CB -0.909 18.086 19.000 -0.010 0.000 0.822 179 A HN 0.449 nan 8.150 nan 0.000 0.443 180 L N -0.072 121.135 121.223 -0.026 0.000 2.042 180 L HA -0.139 4.201 4.340 0.000 0.000 0.210 180 L C 2.383 179.245 176.870 -0.013 0.000 1.076 180 L CA 2.859 57.687 54.840 -0.019 0.000 0.749 180 L CB -1.199 40.843 42.059 -0.027 0.000 0.893 180 L HN 0.375 nan 8.230 nan 0.000 0.432 181 T N -0.280 114.261 114.554 -0.020 0.000 2.684 181 T HA -0.209 4.141 4.350 0.000 0.000 0.267 181 T C 1.994 176.688 174.700 -0.010 0.000 1.036 181 T CA 1.872 63.963 62.100 -0.014 0.000 1.148 181 T CB -0.202 68.655 68.868 -0.019 0.000 0.863 181 T HN 0.386 nan 8.240 nan 0.000 0.436 182 R N -0.064 120.432 120.500 -0.006 0.000 2.073 182 R HA -0.061 4.279 4.340 0.000 0.000 0.234 182 R C 2.813 179.107 176.300 -0.011 0.000 1.134 182 R CA 1.596 57.693 56.100 -0.005 0.000 0.952 182 R CB -0.731 29.573 30.300 0.007 0.000 0.850 182 R HN 0.388 nan 8.270 nan 0.000 0.433 183 C N -0.031 119.265 119.300 -0.007 0.000 2.486 183 C HA -0.038 4.423 4.460 0.000 0.000 0.279 183 C C 3.084 178.070 174.990 -0.007 0.000 1.302 183 C CA 1.047 60.060 59.018 -0.007 0.000 1.720 183 C CB -0.695 27.044 27.740 -0.001 0.000 2.030 183 C HN 0.623 nan 8.230 nan 0.000 0.490 184 S N 1.939 117.640 115.700 0.001 0.000 2.419 184 S HA -0.068 4.402 4.470 0.000 0.000 0.233 184 S C 1.932 176.530 174.600 -0.002 0.000 1.016 184 S CA 1.328 59.537 58.200 0.014 0.000 0.974 184 S CB -0.497 62.721 63.200 0.031 0.000 0.786 184 S HN 0.593 nan 8.310 nan 0.000 0.492 185 A N 2.506 125.314 122.820 -0.019 0.000 1.908 185 A HA 0.028 4.348 4.320 0.000 0.000 0.218 185 A C 2.219 179.761 177.584 -0.070 0.000 1.181 185 A CA 1.551 53.561 52.037 -0.045 0.000 0.627 185 A CB -0.715 18.255 19.000 -0.050 0.000 0.818 185 A HN 0.531 nan 8.150 nan 0.000 0.445 186 I N 0.189 120.721 120.570 -0.062 0.000 2.226 186 I HA -0.219 3.951 4.170 0.000 0.000 0.245 186 I C 2.262 178.315 176.117 -0.106 0.000 1.100 186 I CA 1.612 62.865 61.300 -0.079 0.000 1.374 186 I CB -1.699 36.267 38.000 -0.057 0.000 1.057 186 I HN 0.484 nan 8.210 nan 0.000 0.413 187 E N 1.054 121.202 120.200 -0.086 0.000 2.150 187 E HA -0.111 4.239 4.350 0.000 0.000 0.193 187 E C 2.272 178.728 176.600 -0.241 0.000 0.985 187 E CA 1.178 57.506 56.400 -0.121 0.000 0.814 187 E CB -0.119 29.569 29.700 -0.021 0.000 0.752 187 E HN 0.476 nan 8.360 nan 0.000 0.466 188 A N 1.030 123.768 122.820 -0.136 0.000 2.066 188 A HA -0.077 4.243 4.320 0.000 0.000 0.218 188 A C 2.422 179.869 177.584 -0.228 0.000 1.157 188 A CA 0.568 52.537 52.037 -0.112 0.000 0.670 188 A CB -0.412 18.584 19.000 -0.007 0.000 0.804 188 A HN 0.091 nan 8.150 nan 0.000 0.453 189 V N 0.188 119.964 119.914 -0.230 0.000 2.317 189 V HA -0.351 3.769 4.120 0.000 0.000 0.251 189 V C 2.450 178.380 176.094 -0.274 0.000 1.065 189 V CA 2.442 64.615 62.300 -0.212 0.000 1.049 189 V CB -0.772 30.946 31.823 -0.175 0.000 0.651 189 V HN 0.768 nan 8.190 nan 0.000 0.450 190 E N -0.232 119.689 120.200 -0.465 0.000 2.130 190 E HA -0.231 4.119 4.350 0.000 0.000 0.196 190 E C 1.594 177.948 176.600 -0.410 0.000 0.998 190 E CA 1.682 57.751 56.400 -0.551 0.000 0.806 190 E CB -0.051 29.113 29.700 -0.892 0.000 0.738 190 E HN 0.701 nan 8.360 nan 0.000 0.459 191 F N -0.811 119.114 119.950 -0.041 0.000 2.693 191 F HA 0.355 4.882 4.527 0.000 0.000 0.303 191 F C 1.390 177.137 175.800 -0.088 0.000 1.097 191 F CA 0.329 58.304 58.000 -0.042 0.000 1.330 191 F CB 0.340 39.345 39.000 0.008 0.000 1.067 191 F HN 0.077 nan 8.300 nan 0.000 0.565 192 G N 0.737 109.522 108.800 -0.026 0.000 2.160 192 G HA2 -0.217 3.743 3.960 0.000 0.000 0.244 192 G HA3 -0.217 3.743 3.960 0.000 0.000 0.244 192 G C -0.245 174.567 174.900 -0.146 0.000 1.022 192 G CA 0.144 45.202 45.100 -0.070 0.000 0.741 192 G HN 0.222 nan 8.290 nan 0.000 0.508 193 V N 0.607 120.423 119.914 -0.163 0.000 2.513 193 V HA 0.607 4.727 4.120 0.000 0.000 0.299 193 V C 0.706 176.700 176.094 -0.167 0.000 1.035 193 V CA -0.903 61.244 62.300 -0.254 0.000 0.889 193 V CB 1.635 33.285 31.823 -0.290 0.000 0.988 193 V HN 0.393 nan 8.190 nan 0.000 0.440 194 R N 4.572 124.973 120.500 -0.164 0.000 2.428 194 R HA 0.742 5.082 4.340 0.000 0.000 0.294 194 R C -1.132 175.111 176.300 -0.094 0.000 1.000 194 R CA -0.571 55.453 56.100 -0.126 0.000 0.960 194 R CB 1.709 31.933 30.300 -0.127 0.000 1.076 194 R HN 0.583 nan 8.270 nan 0.000 0.475 195 I N 2.336 122.864 120.570 -0.070 0.000 2.478 195 I HA 0.353 4.524 4.170 0.000 0.000 0.287 195 I C -0.516 175.580 176.117 -0.035 0.000 1.042 195 I CA -0.703 60.575 61.300 -0.038 0.000 1.067 195 I CB 1.694 39.686 38.000 -0.013 0.000 1.233 195 I HN 0.540 nan 8.210 nan 0.000 0.431 196 N N 3.719 122.403 118.700 -0.026 0.000 2.831 196 N HA 0.850 5.590 4.740 0.000 0.000 0.276 196 N C -1.241 174.270 175.510 0.001 0.000 1.416 196 N CA -0.729 52.314 53.050 -0.012 0.000 0.799 196 N CB 2.643 41.121 38.487 -0.016 0.000 1.554 196 N HN 0.606 nan 8.380 nan 0.000 0.541 197 A N 0.208 123.038 122.820 0.016 0.000 2.475 197 A HA 0.596 4.916 4.320 0.000 0.000 0.301 197 A C -1.036 176.570 177.584 0.036 0.000 1.059 197 A CA -0.600 51.443 52.037 0.009 0.000 0.710 197 A CB 1.519 20.507 19.000 -0.021 0.000 1.288 197 A HN 0.326 nan 8.150 nan 0.000 0.408 198 V N 0.859 120.789 119.914 0.027 0.000 2.716 198 V HA 0.767 4.887 4.120 0.000 0.000 0.304 198 V C 0.155 176.247 176.094 -0.003 0.000 1.053 198 V CA 0.045 62.370 62.300 0.041 0.000 0.984 198 V CB 1.975 33.825 31.823 0.046 0.000 1.021 198 V HN 1.116 nan 8.190 nan 0.000 0.467 199 S N 6.719 122.428 115.700 0.015 0.000 2.395 199 S HA 0.570 5.040 4.470 0.000 0.000 0.207 199 S C -2.822 171.781 174.600 0.006 0.000 1.454 199 S CA -1.224 56.944 58.200 -0.053 0.000 1.211 199 S CB 1.084 64.204 63.200 -0.133 0.000 1.093 199 S HN 0.681 nan 8.310 nan 0.000 0.472 200 P HA 0.195 nan 4.420 nan 0.000 0.275 200 P C -0.337 176.970 177.300 0.011 0.000 1.227 200 P CA -0.231 62.868 63.100 -0.003 0.000 0.781 200 P CB 0.730 32.424 31.700 -0.009 0.000 0.906 201 S N 0.601 116.306 115.700 0.009 0.000 2.593 201 S HA 0.607 5.077 4.470 0.000 0.000 0.269 201 S C 0.592 175.195 174.600 0.006 0.000 1.334 201 S CA -0.506 57.704 58.200 0.016 0.000 1.015 201 S CB -0.133 63.061 63.200 -0.010 0.000 0.912 201 S HN 0.488 nan 8.310 nan 0.000 0.541 225 A N 1.932 124.713 122.820 -0.065 0.000 1.940 225 A HA -0.153 4.167 4.320 0.000 0.000 0.219 225 A C 1.122 178.834 177.584 0.213 0.000 1.176 225 A CA 1.548 53.593 52.037 0.013 0.000 0.631 225 A CB -0.398 18.565 19.000 -0.061 0.000 0.814 225 A HN 0.512 nan 8.150 nan 0.000 0.446 226 F N -0.956 118.987 119.950 -0.012 0.000 2.789 226 F HA 0.308 4.835 4.527 0.000 0.000 0.300 226 F C 1.985 177.781 175.800 -0.007 0.000 1.132 226 F CA -0.040 57.953 58.000 -0.011 0.000 1.404 226 F CB -0.957 38.032 39.000 -0.018 0.000 1.114 226 F HN 0.395 nan 8.300 nan 0.000 0.584 227 G N 1.413 110.314 108.800 0.167 0.000 2.143 227 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 227 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 227 G C 0.262 175.212 174.900 0.084 0.000 0.991 227 G CA 0.244 45.401 45.100 0.095 0.000 0.689 227 G HN 0.598 nan 8.290 nan 0.000 0.522 228 R N -1.655 118.905 120.500 0.099 0.000 2.710 228 R HA 0.822 5.162 4.340 0.000 0.000 0.270 228 R C 0.036 176.358 176.300 0.038 0.000 1.021 228 R CA -0.401 55.743 56.100 0.072 0.000 0.889 228 R CB 0.631 30.990 30.300 0.098 0.000 1.243 228 R HN 1.125 nan 8.270 nan 0.000 0.464 229 A N 1.427 124.256 122.820 0.015 0.000 2.332 229 A HA 0.659 4.979 4.320 0.000 0.000 0.258 229 A C 0.312 177.877 177.584 -0.031 0.000 1.087 229 A CA -0.117 51.910 52.037 -0.016 0.000 0.802 229 A CB 0.317 19.310 19.000 -0.013 0.000 1.042 229 A HN 0.945 nan 8.150 nan 0.000 0.489 230 A N 0.941 123.717 122.820 -0.074 0.000 2.445 230 A HA 0.441 4.762 4.320 0.000 0.000 0.242 230 A C 0.327 177.844 177.584 -0.111 0.000 1.075 230 A CA -0.217 51.748 52.037 -0.122 0.000 0.777 230 A CB -0.026 18.883 19.000 -0.152 0.000 1.013 230 A HN 0.772 nan 8.150 nan 0.000 0.493 231 E N 1.925 122.016 120.200 -0.181 0.000 2.354 231 E HA 0.155 4.505 4.350 0.000 0.000 0.269 231 E C -1.611 174.882 176.600 -0.178 0.000 1.036 231 E CA -1.901 54.414 56.400 -0.142 0.000 0.876 231 E CB 0.368 29.993 29.700 -0.125 0.000 1.009 231 E HN 0.334 nan 8.360 nan 0.000 0.416 232 P HA -0.196 nan 4.420 nan 0.000 0.217 232 P C 1.425 178.744 177.300 0.033 0.000 1.151 232 P CA 1.537 64.641 63.100 0.008 0.000 0.849 232 P CB -0.141 31.601 31.700 0.069 0.000 0.787 233 W N 0.595 121.915 121.300 0.032 0.000 2.374 233 W HA -0.081 4.579 4.660 0.000 0.000 0.288 233 W C 1.126 177.668 176.519 0.040 0.000 1.218 233 W CA 0.840 58.206 57.345 0.035 0.000 1.245 233 W CB -1.150 28.331 29.460 0.035 0.000 1.126 233 W HN 0.071 nan 8.180 nan 0.000 0.545 234 E N 1.122 120.833 120.200 -0.814 0.000 2.106 234 E HA -0.153 4.197 4.350 0.000 0.000 0.192 234 E C 2.408 178.844 176.600 -0.274 0.000 0.984 234 E CA 1.618 57.523 56.400 -0.825 0.000 0.806 234 E CB -0.189 28.974 29.700 -0.896 0.000 0.750 234 E HN 0.117 nan 8.360 nan 0.000 0.458 235 V N 1.331 121.146 119.914 -0.166 0.000 2.358 235 V HA -0.227 3.893 4.120 0.000 0.000 0.246 235 V C 2.334 178.439 176.094 0.019 0.000 1.047 235 V CA 1.762 64.029 62.300 -0.055 0.000 1.035 235 V CB -0.640 31.160 31.823 -0.038 0.000 0.658 235 V HN 0.301 nan 8.190 nan 0.000 0.452 236 A N 0.098 122.954 122.820 0.060 0.000 1.933 236 A HA -0.113 4.207 4.320 0.000 0.000 0.218 236 A C 2.408 180.080 177.584 0.146 0.000 1.175 236 A CA 2.010 54.113 52.037 0.111 0.000 0.628 236 A CB -0.711 18.376 19.000 0.144 0.000 0.814 236 A HN 0.567 nan 8.150 nan 0.000 0.444 237 A N -1.131 121.797 122.820 0.180 0.000 1.933 237 A HA -0.078 4.242 4.320 0.000 0.000 0.218 237 A C 2.271 179.953 177.584 0.163 0.000 1.175 237 A CA 2.238 54.403 52.037 0.213 0.000 0.628 237 A CB -1.060 18.130 19.000 0.317 0.000 0.814 237 A HN 0.419 nan 8.150 nan 0.000 0.444 238 T N 0.099 114.724 114.554 0.118 0.000 2.942 238 T HA 0.027 4.377 4.350 0.000 0.000 0.265 238 T C 1.748 176.575 174.700 0.212 0.000 1.062 238 T CA 1.090 63.286 62.100 0.160 0.000 1.139 238 T CB -0.347 68.574 68.868 0.089 0.000 0.883 238 T HN 0.426 nan 8.240 nan 0.000 0.468 239 I N 1.613 122.266 120.570 0.139 0.000 2.163 239 I HA -0.241 3.929 4.170 0.000 0.000 0.243 239 I C 2.931 179.119 176.117 0.118 0.000 1.085 239 I CA 1.274 62.641 61.300 0.112 0.000 1.347 239 I CB -0.512 37.537 38.000 0.082 0.000 1.044 239 I HN 0.201 nan 8.210 nan 0.000 0.408 240 A N 0.852 123.757 122.820 0.143 0.000 1.902 240 A HA -0.274 4.046 4.320 0.000 0.000 0.217 240 A C 2.242 179.925 177.584 0.166 0.000 1.181 240 A CA 1.660 53.781 52.037 0.140 0.000 0.623 240 A CB -1.024 18.067 19.000 0.150 0.000 0.818 240 A HN 0.499 nan 8.150 nan 0.000 0.443 241 F N 0.731 120.720 119.950 0.065 0.000 2.095 241 F HA -0.170 4.357 4.527 0.000 0.000 0.298 241 F C 1.766 177.622 175.800 0.093 0.000 1.104 241 F CA 1.926 59.971 58.000 0.075 0.000 1.232 241 F CB -0.388 38.641 39.000 0.048 0.000 0.987 241 F HN 0.133 nan 8.300 nan 0.000 0.475 242 L N -0.062 121.031 121.223 -0.217 0.000 2.291 242 L HA -0.065 4.275 4.340 0.000 0.000 0.214 242 L C 2.654 179.411 176.870 -0.189 0.000 1.120 242 L CA 0.814 55.451 54.840 -0.338 0.000 0.799 242 L CB -0.990 41.017 42.059 -0.086 0.000 0.925 242 L HN 0.316 nan 8.230 nan 0.000 0.446 243 A N -0.409 122.367 122.820 -0.072 0.000 2.016 243 A HA -0.029 4.291 4.320 0.000 0.000 0.217 243 A C 1.544 179.113 177.584 -0.026 0.000 1.162 243 A CA 0.830 52.851 52.037 -0.026 0.000 0.662 243 A CB -0.256 18.761 19.000 0.029 0.000 0.812 243 A HN 0.442 nan 8.150 nan 0.000 0.450 244 S N -0.571 115.116 115.700 -0.021 0.000 2.669 244 S HA 0.264 4.735 4.470 0.000 0.000 0.270 244 S C 0.145 174.747 174.600 0.004 0.000 1.225 244 S CA -0.142 58.093 58.200 0.058 0.000 0.991 244 S CB 0.735 64.064 63.200 0.214 0.000 0.987 244 S HN 0.219 nan 8.310 nan 0.000 0.552 245 D N -0.106 120.311 120.400 0.028 0.000 2.378 245 D HA 0.007 4.647 4.640 0.000 0.000 0.222 245 D C 1.008 177.244 176.300 -0.107 0.000 0.980 245 D CA 0.869 54.831 54.000 -0.064 0.000 0.907 245 D CB -0.406 40.332 40.800 -0.105 0.000 0.899 245 D HN 0.659 nan 8.370 nan 0.000 0.527 246 Y N 0.879 121.194 120.300 0.026 0.000 2.421 246 Y HA -0.120 4.430 4.550 0.000 0.000 0.292 246 Y C 2.127 178.083 175.900 0.093 0.000 1.136 246 Y CA 1.031 59.220 58.100 0.149 0.000 1.255 246 Y CB -0.078 38.599 38.460 0.361 0.000 0.991 246 Y HN -0.046 nan 8.280 nan 0.000 0.552 247 S N -2.288 113.291 115.700 -0.201 0.000 2.574 247 S HA 0.097 4.567 4.470 0.000 0.000 0.242 247 S C 1.758 176.282 174.600 -0.126 0.000 0.982 247 S CA 0.134 58.113 58.200 -0.368 0.000 0.977 247 S CB 0.080 62.666 63.200 -1.024 0.000 0.814 247 S HN 0.244 nan 8.310 nan 0.000 0.464 248 S N 1.345 117.019 115.700 -0.044 0.000 2.408 248 S HA -0.291 4.179 4.470 0.000 0.000 0.241 248 S C 1.348 175.974 174.600 0.043 0.000 1.080 248 S CA 1.885 60.080 58.200 -0.009 0.000 1.109 248 S CB -0.622 62.585 63.200 0.013 0.000 0.966 248 S HN 0.799 nan 8.310 nan 0.000 0.449 249 Y N 0.911 121.191 120.300 -0.033 0.000 2.523 249 Y HA 0.421 4.971 4.550 0.000 0.000 0.279 249 Y C 0.704 176.592 175.900 -0.019 0.000 1.139 249 Y CA 0.130 58.218 58.100 -0.020 0.000 1.296 249 Y CB -0.021 38.439 38.460 -0.000 0.000 1.045 249 Y HN 0.244 nan 8.280 nan 0.000 0.538 250 M N 0.744 120.317 119.600 -0.044 0.000 2.162 250 M HA 0.210 4.691 4.480 0.000 0.000 0.356 250 M C -0.118 176.100 176.300 -0.137 0.000 1.303 250 M CA 0.522 55.776 55.300 -0.077 0.000 1.116 250 M CB 0.953 33.546 32.600 -0.012 0.000 1.632 250 M HN -0.026 nan 8.290 nan 0.000 0.469 251 T N 1.340 115.806 114.554 -0.147 0.000 2.923 251 T HA 0.573 4.923 4.350 0.000 0.000 0.311 251 T C 0.445 175.098 174.700 -0.079 0.000 1.183 251 T CA 0.388 62.417 62.100 -0.120 0.000 1.020 251 T CB 1.543 70.320 68.868 -0.153 0.000 1.165 251 T HN 0.949 nan 8.240 nan 0.000 0.482 252 G N 2.578 111.348 108.800 -0.051 0.000 2.179 252 G HA2 -0.162 3.799 3.960 0.000 0.000 0.257 252 G HA3 -0.162 3.799 3.960 0.000 0.000 0.257 252 G C -0.131 174.772 174.900 0.004 0.000 1.010 252 G CA 0.385 45.470 45.100 -0.025 0.000 0.736 252 G HN 0.669 nan 8.290 nan 0.000 0.513 253 E N -0.785 119.424 120.200 0.014 0.000 2.227 253 E HA 0.664 5.014 4.350 0.000 0.000 0.268 253 E C -0.144 176.501 176.600 0.075 0.000 0.990 253 E CA -0.793 55.639 56.400 0.053 0.000 0.856 253 E CB 2.315 32.054 29.700 0.064 0.000 1.159 253 E HN 0.205 nan 8.360 nan 0.000 0.401 254 V N 1.764 121.752 119.914 0.123 0.000 2.443 254 V HA 0.218 4.338 4.120 0.000 0.000 0.293 254 V C -0.380 175.844 176.094 0.217 0.000 1.021 254 V CA -0.847 61.547 62.300 0.157 0.000 0.848 254 V CB 1.833 33.778 31.823 0.203 0.000 0.998 254 V HN 0.365 nan 8.190 nan 0.000 0.424 255 V N 3.842 123.864 119.914 0.180 0.000 2.350 255 V HA 0.347 4.467 4.120 0.000 0.000 0.276 255 V C 0.647 176.854 176.094 0.189 0.000 1.028 255 V CA -0.210 62.195 62.300 0.175 0.000 0.860 255 V CB 1.690 33.612 31.823 0.165 0.000 0.990 255 V HN 0.883 nan 8.190 nan 0.000 0.453 256 S N 4.682 120.512 115.700 0.216 0.000 2.510 256 S HA 0.379 4.849 4.470 0.000 0.000 0.279 256 S C -0.277 174.375 174.600 0.087 0.000 1.284 256 S CA -0.331 58.006 58.200 0.228 0.000 1.059 256 S CB 0.556 63.888 63.200 0.219 0.000 0.901 256 S HN 0.554 nan 8.310 nan 0.000 0.491 257 V N 5.056 125.005 119.914 0.058 0.000 2.383 257 V HA 0.480 4.600 4.120 0.000 0.000 0.264 257 V C -0.258 175.805 176.094 -0.051 0.000 1.001 257 V CA -0.533 61.754 62.300 -0.021 0.000 0.828 257 V CB 0.661 32.469 31.823 -0.025 0.000 1.069 257 V HN 0.794 nan 8.190 nan 0.000 0.451 258 S N 1.842 117.495 115.700 -0.079 0.000 2.720 258 S HA 0.471 4.942 4.470 0.000 0.000 0.278 258 S C 0.395 174.949 174.600 -0.075 0.000 1.172 258 S CA 0.246 58.389 58.200 -0.095 0.000 1.019 258 S CB 1.732 64.803 63.200 -0.215 0.000 1.049 258 S HN 0.798 nan 8.310 nan 0.000 0.483 259 S N 3.105 118.795 115.700 -0.017 0.000 2.730 259 S HA 0.241 4.711 4.470 0.000 0.000 0.244 259 S C -0.041 174.531 174.600 -0.046 0.000 1.022 259 S CA -0.346 57.850 58.200 -0.005 0.000 1.014 259 S CB -0.083 63.170 63.200 0.089 0.000 0.963 259 S HN 0.748 nan 8.310 nan 0.000 0.540 260 Q N 0.927 120.685 119.800 -0.070 0.000 2.452 260 Q HA -0.191 4.149 4.340 0.000 0.000 0.318 260 Q C -0.017 175.908 176.000 -0.125 0.000 1.386 260 Q CA 0.915 56.669 55.803 -0.082 0.000 0.872 260 Q CB -1.864 26.837 28.738 -0.063 0.000 1.151 260 Q HN 0.697 nan 8.270 nan 0.000 0.417 261 R N 0.536 120.925 120.500 -0.185 0.000 2.421 261 R HA 0.538 4.878 4.340 0.000 0.000 0.305 261 R C -0.079 176.047 176.300 -0.290 0.000 1.039 261 R CA 0.818 56.702 56.100 -0.360 0.000 1.003 261 R CB 0.373 30.278 30.300 -0.658 0.000 0.959 261 R HN 0.362 nan 8.270 nan 0.000 0.427 262 A N 0.000 122.655 122.820 -0.275 0.000 2.254 262 A HA 0.000 4.320 4.320 0.000 0.000 0.244 262 A CA 0.000 51.926 52.037 -0.186 0.000 0.836 262 A CB 0.000 18.920 19.000 -0.133 0.000 0.831 262 A HN 0.000 nan 8.150 nan 0.000 0.486