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 1y6i_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSDNLTELSQ QLHDASEKKQ LTAIAALAEM GEGGQGILLD YLAKNVPLEK DATA SEQUENCE PVLAVGNVYQ TLRNLEQETI TTQLQRNYPT GIFPLQSAQG IDYLPLQEAL DATA SEQUENCE GSQDFETADE ITRDKLCELA GPGASQRQWL YFTEVEKFPA LDLHTINALW DATA SEQUENCE WLHSNGNFGF SVQRRLWLAS GKEFTKLWPK IGWKSGNVWT RWPKGFTWDL DATA SEQUENCE SAPQGHLPLL NQLRGVRVAE SLYRHPVWSQ YGW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.303 55.300 0.004 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 S N 0.559 116.263 115.700 0.007 0.000 2.383 2 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 2 S C 1.216 175.821 174.600 0.008 0.000 1.030 2 S CA 2.161 60.366 58.200 0.008 0.000 1.002 2 S CB -0.931 62.274 63.200 0.008 0.000 0.829 2 S HN 0.634 nan 8.310 nan 0.000 0.467 3 D N 2.342 122.745 120.400 0.006 0.000 2.084 3 D HA -0.068 4.572 4.640 -0.000 0.000 0.194 3 D C 2.087 178.390 176.300 0.006 0.000 0.990 3 D CA 1.430 55.433 54.000 0.005 0.000 0.826 3 D CB -0.400 40.402 40.800 0.004 0.000 0.971 3 D HN 0.405 nan 8.370 nan 0.000 0.453 4 N N 0.402 119.105 118.700 0.005 0.000 2.120 4 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 4 N C 2.038 177.552 175.510 0.007 0.000 1.024 4 N CA 0.574 53.627 53.050 0.004 0.000 0.852 4 N CB -0.321 38.167 38.487 0.002 0.000 1.003 4 N HN 0.239 nan 8.380 nan 0.000 0.424 5 L N 0.821 122.050 121.223 0.009 0.000 2.012 5 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 5 L C 2.379 179.262 176.870 0.022 0.000 1.073 5 L CA 1.273 56.122 54.840 0.015 0.000 0.748 5 L CB -1.023 41.047 42.059 0.018 0.000 0.891 5 L HN 0.152 nan 8.230 nan 0.000 0.431 6 T N -1.090 113.475 114.554 0.019 0.000 2.684 6 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 6 T C 1.873 176.586 174.700 0.022 0.000 1.036 6 T CA 1.328 63.440 62.100 0.020 0.000 1.148 6 T CB -0.154 68.721 68.868 0.012 0.000 0.863 6 T HN 0.262 nan 8.240 nan 0.000 0.436 7 E N 0.981 121.190 120.200 0.015 0.000 2.031 7 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 7 E C 2.345 178.954 176.600 0.016 0.000 0.994 7 E CA 1.053 57.460 56.400 0.013 0.000 0.800 7 E CB -0.468 29.236 29.700 0.007 0.000 0.752 7 E HN 0.448 nan 8.360 nan 0.000 0.447 8 L N 0.424 121.653 121.223 0.010 0.000 2.043 8 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 8 L C 2.796 179.674 176.870 0.013 0.000 1.075 8 L CA 1.475 56.315 54.840 0.001 0.000 0.752 8 L CB -0.559 41.496 42.059 -0.006 0.000 0.891 8 L HN 0.122 nan 8.230 nan 0.000 0.432 9 S N -0.658 115.070 115.700 0.047 0.000 2.368 9 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 9 S C 1.950 176.666 174.600 0.193 0.000 1.030 9 S CA 1.411 59.684 58.200 0.121 0.000 0.999 9 S CB -0.066 63.210 63.200 0.126 0.000 0.844 9 S HN 0.459 nan 8.310 nan 0.000 0.459 10 Q N 0.158 120.020 119.800 0.103 0.000 2.167 10 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 10 Q C 2.495 178.547 176.000 0.085 0.000 0.970 10 Q CA 1.452 57.311 55.803 0.094 0.000 0.855 10 Q CB -0.150 28.613 28.738 0.042 0.000 0.911 10 Q HN 0.679 nan 8.270 nan 0.000 0.438 11 Q N 0.225 120.049 119.800 0.040 0.000 2.079 11 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 11 Q C 2.209 178.192 176.000 -0.028 0.000 0.974 11 Q CA 0.950 56.757 55.803 0.006 0.000 0.840 11 Q CB -0.206 28.523 28.738 -0.015 0.000 0.898 11 Q HN 0.275 nan 8.270 nan 0.000 0.430 12 L N 0.177 121.356 121.223 -0.074 0.000 2.042 12 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 12 L C 1.788 178.499 176.870 -0.265 0.000 1.076 12 L CA 2.056 56.744 54.840 -0.253 0.000 0.749 12 L CB -0.434 41.390 42.059 -0.392 0.000 0.893 12 L HN 0.153 nan 8.230 nan 0.000 0.432 13 H N -0.951 118.090 119.070 -0.048 0.000 2.372 13 H HA 0.024 4.579 4.556 -0.001 0.000 0.301 13 H C 1.237 176.605 175.328 0.067 0.000 1.065 13 H CA 1.611 57.702 56.048 0.072 0.000 1.364 13 H CB 0.136 29.961 29.762 0.105 0.000 1.406 13 H HN 0.409 nan 8.280 nan 0.000 0.521 14 D N -0.340 120.154 120.400 0.157 0.000 2.449 14 D HA 0.220 4.860 4.640 -0.000 0.000 0.210 14 D C 0.894 177.226 176.300 0.055 0.000 1.094 14 D CA 0.223 54.282 54.000 0.098 0.000 0.846 14 D CB 0.195 41.044 40.800 0.081 0.000 1.003 14 D HN 0.263 nan 8.370 nan 0.000 0.504 15 A N 1.209 124.048 122.820 0.031 0.000 2.310 15 A HA 0.421 4.741 4.320 -0.000 0.000 0.260 15 A C 0.819 178.412 177.584 0.015 0.000 1.112 15 A CA -0.257 51.789 52.037 0.015 0.000 0.804 15 A CB 0.213 19.212 19.000 -0.002 0.000 1.081 15 A HN 0.138 nan 8.150 nan 0.000 0.499 16 S N -0.424 115.283 115.700 0.011 0.000 2.579 16 S HA 0.132 4.602 4.470 -0.000 0.000 0.275 16 S C 0.666 175.270 174.600 0.006 0.000 1.345 16 S CA 0.319 58.527 58.200 0.014 0.000 1.031 16 S CB 0.461 63.668 63.200 0.012 0.000 0.892 16 S HN 0.794 nan 8.310 nan 0.000 0.529 17 E N 0.621 120.830 120.200 0.017 0.000 2.495 17 E HA -0.108 4.242 4.350 -0.000 0.000 0.204 17 E C 1.121 177.718 176.600 -0.005 0.000 1.163 17 E CA 0.695 57.102 56.400 0.012 0.000 0.922 17 E CB -0.183 29.541 29.700 0.040 0.000 0.918 17 E HN 0.804 nan 8.360 nan 0.000 0.537 18 K N 0.563 120.958 120.400 -0.009 0.000 2.367 18 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 18 K C 1.556 178.138 176.600 -0.029 0.000 1.132 18 K CA -0.237 56.040 56.287 -0.017 0.000 0.941 18 K CB 0.492 32.988 32.500 -0.007 0.000 1.052 18 K HN -0.132 nan 8.250 nan 0.000 0.507 19 K N 1.144 121.528 120.400 -0.027 0.000 2.393 19 K HA 0.083 4.403 4.320 -0.000 0.000 0.193 19 K C 1.690 178.259 176.600 -0.052 0.000 1.026 19 K CA 0.411 56.678 56.287 -0.033 0.000 1.064 19 K CB 0.537 33.024 32.500 -0.023 0.000 0.833 19 K HN 0.289 nan 8.250 nan 0.000 0.521 20 Q N 0.456 120.219 119.800 -0.063 0.000 2.084 20 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 20 Q C 1.917 177.850 176.000 -0.112 0.000 0.978 20 Q CA 1.060 56.801 55.803 -0.103 0.000 0.844 20 Q CB -0.156 28.515 28.738 -0.112 0.000 0.898 20 Q HN 0.076 nan 8.270 nan 0.000 0.426 21 L N 0.577 121.745 121.223 -0.092 0.000 2.042 21 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 21 L C 2.094 178.918 176.870 -0.077 0.000 1.076 21 L CA 1.972 56.758 54.840 -0.091 0.000 0.749 21 L CB -0.867 41.141 42.059 -0.085 0.000 0.893 21 L HN 0.134 nan 8.230 nan 0.000 0.432 22 T N -0.244 114.271 114.554 -0.065 0.000 2.708 22 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 22 T C 1.875 176.541 174.700 -0.056 0.000 1.037 22 T CA 1.459 63.528 62.100 -0.053 0.000 1.146 22 T CB -0.485 68.357 68.868 -0.043 0.000 0.865 22 T HN 0.539 nan 8.240 nan 0.000 0.435 23 A N 0.771 123.550 122.820 -0.067 0.000 1.930 23 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 23 A C 2.252 179.785 177.584 -0.084 0.000 1.175 23 A CA 1.058 53.053 52.037 -0.071 0.000 0.627 23 A CB -0.699 18.252 19.000 -0.082 0.000 0.815 23 A HN 0.514 nan 8.150 nan 0.000 0.443 24 I N -0.068 120.438 120.570 -0.107 0.000 2.179 24 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 24 I C 2.982 179.057 176.117 -0.069 0.000 1.088 24 I CA 1.163 62.400 61.300 -0.106 0.000 1.357 24 I CB -0.348 37.581 38.000 -0.119 0.000 1.051 24 I HN 0.337 nan 8.210 nan 0.000 0.409 25 A N 0.660 123.444 122.820 -0.060 0.000 1.908 25 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 25 A C 2.523 180.085 177.584 -0.036 0.000 1.181 25 A CA 2.135 54.145 52.037 -0.044 0.000 0.627 25 A CB -0.971 18.005 19.000 -0.040 0.000 0.818 25 A HN 0.452 nan 8.150 nan 0.000 0.445 26 A N -0.457 122.341 122.820 -0.037 0.000 1.898 26 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 26 A C 2.173 179.742 177.584 -0.025 0.000 1.181 26 A CA 1.398 53.418 52.037 -0.028 0.000 0.620 26 A CB -0.606 18.378 19.000 -0.026 0.000 0.819 26 A HN 0.465 nan 8.150 nan 0.000 0.442 27 L N -0.642 120.561 121.223 -0.032 0.000 2.042 27 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 27 L C 3.087 179.945 176.870 -0.019 0.000 1.076 27 L CA 1.116 55.941 54.840 -0.025 0.000 0.749 27 L CB -0.514 41.523 42.059 -0.037 0.000 0.893 27 L HN 0.458 nan 8.230 nan 0.000 0.432 28 A N -0.243 122.562 122.820 -0.025 0.000 1.978 28 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 28 A C 1.971 179.546 177.584 -0.015 0.000 1.170 28 A CA 1.653 53.677 52.037 -0.021 0.000 0.636 28 A CB -0.369 18.616 19.000 -0.026 0.000 0.810 28 A HN 0.514 nan 8.150 nan 0.000 0.448 29 E N -0.640 119.551 120.200 -0.015 0.000 2.465 29 E HA 0.132 4.482 4.350 -0.000 0.000 0.191 29 E C 0.435 177.030 176.600 -0.008 0.000 1.053 29 E CA -0.191 56.202 56.400 -0.011 0.000 0.869 29 E CB 0.088 29.781 29.700 -0.012 0.000 0.977 29 E HN 0.522 nan 8.360 nan 0.000 0.483 30 M N 0.871 120.467 119.600 -0.007 0.000 2.719 30 M HA 0.177 4.657 4.480 -0.000 0.000 0.247 30 M C 0.846 177.146 176.300 -0.000 0.000 1.287 30 M CA 0.068 55.366 55.300 -0.003 0.000 1.004 30 M CB -0.404 32.195 32.600 -0.002 0.000 1.514 30 M HN 0.140 nan 8.290 nan 0.000 0.462 31 G N 1.602 110.402 108.800 -0.001 0.000 2.578 31 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.275 31 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.275 31 G C 0.709 175.612 174.900 0.004 0.000 1.271 31 G CA 0.371 45.472 45.100 0.001 0.000 0.941 31 G HN 0.480 nan 8.290 nan 0.000 0.564 32 E N 0.970 121.174 120.200 0.006 0.000 2.118 32 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 32 E C 2.690 179.299 176.600 0.015 0.000 0.992 32 E CA 2.536 58.943 56.400 0.010 0.000 0.804 32 E CB -1.050 28.656 29.700 0.010 0.000 0.741 32 E HN 0.823 nan 8.360 nan 0.000 0.458 33 G N 0.177 108.986 108.800 0.014 0.000 2.402 33 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 33 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 33 G C 1.644 176.557 174.900 0.022 0.000 1.162 33 G CA 0.899 46.010 45.100 0.019 0.000 0.777 33 G HN 0.432 nan 8.290 nan 0.000 0.539 34 G N 0.171 108.980 108.800 0.014 0.000 2.394 34 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 34 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 34 G C 1.778 176.688 174.900 0.015 0.000 1.165 34 G CA 0.903 46.010 45.100 0.012 0.000 0.784 34 G HN 0.497 nan 8.290 nan 0.000 0.535 35 Q N 0.084 119.892 119.800 0.014 0.000 2.170 35 Q HA 0.004 4.344 4.340 -0.000 0.000 0.203 35 Q C 2.735 178.757 176.000 0.038 0.000 0.976 35 Q CA 1.014 56.828 55.803 0.019 0.000 0.858 35 Q CB -0.262 28.483 28.738 0.012 0.000 0.907 35 Q HN 0.452 nan 8.270 nan 0.000 0.433 36 G N 0.661 109.485 108.800 0.040 0.000 2.422 36 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 36 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 36 G C 1.375 176.321 174.900 0.076 0.000 1.140 36 G CA 0.387 45.519 45.100 0.054 0.000 0.775 36 G HN 0.230 nan 8.290 nan 0.000 0.545 37 I N 0.293 120.906 120.570 0.071 0.000 2.315 37 I HA -0.067 4.103 4.170 -0.000 0.000 0.248 37 I C 2.630 178.815 176.117 0.113 0.000 1.117 37 I CA 0.479 61.838 61.300 0.100 0.000 1.404 37 I CB -0.105 37.943 38.000 0.079 0.000 1.071 37 I HN 0.126 nan 8.210 nan 0.000 0.419 38 L N 0.114 121.380 121.223 0.072 0.000 2.046 38 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 38 L C 2.535 179.490 176.870 0.141 0.000 1.077 38 L CA 1.413 56.297 54.840 0.074 0.000 0.747 38 L CB -0.536 41.540 42.059 0.029 0.000 0.896 38 L HN 0.265 nan 8.230 nan 0.000 0.432 39 L N -0.197 121.101 121.223 0.125 0.000 2.083 39 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 39 L C 2.233 179.210 176.870 0.179 0.000 1.083 39 L CA 1.553 56.487 54.840 0.157 0.000 0.752 39 L CB -0.514 41.621 42.059 0.127 0.000 0.899 39 L HN 0.312 nan 8.230 nan 0.000 0.433 40 D N -1.008 119.491 120.400 0.165 0.000 2.144 40 D HA -0.283 4.357 4.640 -0.000 0.000 0.200 40 D C 2.118 178.531 176.300 0.188 0.000 0.978 40 D CA 1.024 55.123 54.000 0.166 0.000 0.833 40 D CB -0.078 40.818 40.800 0.159 0.000 0.961 40 D HN 0.306 nan 8.370 nan 0.000 0.470 41 Y N 0.771 121.120 120.300 0.081 0.000 2.145 41 Y HA -0.122 4.427 4.550 -0.001 0.000 0.286 41 Y C 2.001 177.919 175.900 0.030 0.000 1.145 41 Y CA 1.490 59.606 58.100 0.026 0.000 1.148 41 Y CB -0.334 38.069 38.460 -0.095 0.000 0.981 41 Y HN 0.025 nan 8.280 nan 0.000 0.507 42 L N -0.415 120.873 121.223 0.108 0.000 1.989 42 L HA -0.300 4.040 4.340 -0.000 0.000 0.211 42 L C 2.750 179.624 176.870 0.008 0.000 1.071 42 L CA 1.431 56.263 54.840 -0.014 0.000 0.749 42 L CB -1.094 40.962 42.059 -0.005 0.000 0.890 42 L HN 0.366 nan 8.230 nan 0.000 0.431 43 A N -0.294 122.623 122.820 0.162 0.000 2.024 43 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 43 A C 2.204 179.835 177.584 0.079 0.000 1.164 43 A CA 1.782 53.938 52.037 0.199 0.000 0.643 43 A CB -0.337 18.766 19.000 0.171 0.000 0.806 43 A HN 0.354 nan 8.150 nan 0.000 0.451 44 K N -0.812 119.584 120.400 -0.006 0.000 2.426 44 K HA 0.110 4.430 4.320 -0.000 0.000 0.193 44 K C 0.510 177.041 176.600 -0.116 0.000 1.028 44 K CA 0.387 56.647 56.287 -0.046 0.000 1.047 44 K CB 0.208 32.686 32.500 -0.037 0.000 0.821 44 K HN 0.376 nan 8.250 nan 0.000 0.513 45 N N 0.001 118.593 118.700 -0.179 0.000 2.160 45 N HA 0.081 4.821 4.740 -0.000 0.000 0.226 45 N C -1.075 174.376 175.510 -0.099 0.000 1.256 45 N CA 0.161 53.095 53.050 -0.194 0.000 0.890 45 N CB 1.675 39.914 38.487 -0.413 0.000 1.116 45 N HN -0.162 nan 8.380 nan 0.000 0.517 46 V N 2.922 122.806 119.914 -0.049 0.000 2.680 46 V HA 0.424 4.544 4.120 -0.000 0.000 0.309 46 V C -1.892 174.236 176.094 0.056 0.000 1.052 46 V CA -1.342 60.952 62.300 -0.009 0.000 0.908 46 V CB 2.455 34.235 31.823 -0.073 0.000 1.001 46 V HN 0.051 nan 8.190 nan 0.000 0.431 47 P HA 0.335 nan 4.420 nan 0.000 0.274 47 P C -0.980 176.316 177.300 -0.007 0.000 1.237 47 P CA -0.387 62.719 63.100 0.009 0.000 0.793 47 P CB 1.069 32.767 31.700 -0.003 0.000 0.977 48 L N 2.283 123.505 121.223 -0.002 0.000 2.331 48 L HA 0.128 4.468 4.340 -0.000 0.000 0.278 48 L C 1.642 178.513 176.870 0.003 0.000 1.106 48 L CA -0.222 54.650 54.840 0.053 0.000 0.824 48 L CB 0.678 42.869 42.059 0.220 0.000 1.142 48 L HN 0.387 nan 8.230 nan 0.000 0.443 49 E N 2.342 122.569 120.200 0.045 0.000 2.447 49 E HA 0.107 4.457 4.350 -0.000 0.000 0.195 49 E C -0.278 176.404 176.600 0.137 0.000 1.028 49 E CA 0.474 56.901 56.400 0.045 0.000 0.876 49 E CB 0.554 30.276 29.700 0.037 0.000 0.885 49 E HN 0.423 nan 8.360 nan 0.000 0.500 50 K N 0.403 120.925 120.400 0.204 0.000 2.551 50 K HA 0.417 4.737 4.320 -0.000 0.000 0.269 50 K C -2.912 173.876 176.600 0.313 0.000 0.949 50 K CA -2.182 54.261 56.287 0.260 0.000 0.849 50 K CB 1.508 34.081 32.500 0.121 0.000 1.411 50 K HN -0.242 nan 8.250 nan 0.000 0.432 51 P HA 0.204 nan 4.420 nan 0.000 0.276 51 P C -0.782 176.666 177.300 0.247 0.000 1.243 51 P CA -0.400 62.812 63.100 0.186 0.000 0.768 51 P CB 0.557 32.191 31.700 -0.110 0.000 0.856 52 V N 5.388 125.492 119.914 0.317 0.000 2.409 52 V HA 0.086 4.206 4.120 -0.000 0.000 0.290 52 V C 1.247 177.486 176.094 0.241 0.000 1.017 52 V CA -0.438 62.028 62.300 0.276 0.000 0.841 52 V CB 1.474 33.398 31.823 0.169 0.000 1.003 52 V HN 0.454 nan 8.190 nan 0.000 0.426 53 L N 5.542 126.883 121.223 0.196 0.000 2.079 53 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 53 L C 2.413 179.214 176.870 -0.115 0.000 1.081 53 L CA 2.719 57.441 54.840 -0.197 0.000 0.752 53 L CB -0.457 41.292 42.059 -0.517 0.000 0.896 53 L HN 0.729 nan 8.230 nan 0.000 0.433 54 A N -1.485 121.328 122.820 -0.011 0.000 1.978 54 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 54 A C 2.263 179.890 177.584 0.072 0.000 1.170 54 A CA 1.895 53.932 52.037 -0.000 0.000 0.636 54 A CB -0.943 18.072 19.000 0.026 0.000 0.810 54 A HN 0.306 nan 8.150 nan 0.000 0.448 55 V N -0.327 119.665 119.914 0.130 0.000 2.379 55 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 55 V C 2.788 178.905 176.094 0.039 0.000 1.044 55 V CA 1.812 64.193 62.300 0.135 0.000 1.036 55 V CB -1.307 30.562 31.823 0.078 0.000 0.664 55 V HN 0.600 nan 8.190 nan 0.000 0.453 56 G N 0.194 108.972 108.800 -0.037 0.000 2.418 56 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 56 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 56 G C 1.422 176.279 174.900 -0.072 0.000 1.158 56 G CA 0.786 45.800 45.100 -0.142 0.000 0.771 56 G HN 0.506 nan 8.290 nan 0.000 0.545 57 N N 0.355 119.008 118.700 -0.078 0.000 2.244 57 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 57 N C 2.316 177.820 175.510 -0.011 0.000 1.016 57 N CA 0.831 53.846 53.050 -0.059 0.000 0.866 57 N CB -0.314 38.114 38.487 -0.097 0.000 0.980 57 N HN 0.195 nan 8.380 nan 0.000 0.430 58 V N 0.721 120.646 119.914 0.018 0.000 2.261 58 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 58 V C 2.053 178.192 176.094 0.075 0.000 1.047 58 V CA 1.464 63.787 62.300 0.038 0.000 1.015 58 V CB -0.717 31.171 31.823 0.109 0.000 0.642 58 V HN 0.266 nan 8.190 nan 0.000 0.446 59 Y N 0.792 121.075 120.300 -0.029 0.000 2.128 59 Y HA -0.322 4.228 4.550 0.000 0.000 0.284 59 Y C 2.700 178.611 175.900 0.019 0.000 1.154 59 Y CA 2.435 60.526 58.100 -0.016 0.000 1.149 59 Y CB -0.178 38.258 38.460 -0.040 0.000 0.976 59 Y HN 0.243 nan 8.280 nan 0.000 0.505 60 Q N -0.219 119.693 119.800 0.185 0.000 2.123 60 Q HA -0.106 4.234 4.340 -0.000 0.000 0.199 60 Q C 2.177 178.173 176.000 -0.007 0.000 0.966 60 Q CA 2.353 58.226 55.803 0.116 0.000 0.845 60 Q CB -0.592 28.258 28.738 0.187 0.000 0.907 60 Q HN 0.471 nan 8.270 nan 0.000 0.439 61 T N 0.693 115.240 114.554 -0.012 0.000 2.720 61 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 61 T C 1.634 176.301 174.700 -0.055 0.000 1.037 61 T CA 1.342 63.425 62.100 -0.030 0.000 1.144 61 T CB -0.226 68.623 68.868 -0.032 0.000 0.864 61 T HN 0.224 nan 8.240 nan 0.000 0.444 62 L N 0.152 121.325 121.223 -0.084 0.000 2.093 62 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 62 L C 2.966 179.750 176.870 -0.143 0.000 1.085 62 L CA 0.955 55.734 54.840 -0.102 0.000 0.755 62 L CB -0.359 41.636 42.059 -0.106 0.000 0.904 62 L HN 0.028 nan 8.230 nan 0.000 0.435 63 R N 0.226 120.593 120.500 -0.223 0.000 2.092 63 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 63 R C 1.819 178.061 176.300 -0.098 0.000 1.119 63 R CA 0.943 56.922 56.100 -0.202 0.000 0.970 63 R CB -0.855 29.295 30.300 -0.249 0.000 0.864 63 R HN 0.416 nan 8.270 nan 0.000 0.440 64 N N 1.016 119.677 118.700 -0.065 0.000 2.520 64 N HA -0.067 4.673 4.740 -0.000 0.000 0.185 64 N C 1.719 177.213 175.510 -0.027 0.000 1.068 64 N CA 0.484 53.516 53.050 -0.030 0.000 0.911 64 N CB -0.144 38.339 38.487 -0.006 0.000 0.961 64 N HN 0.227 nan 8.380 nan 0.000 0.446 65 L N 0.811 122.011 121.223 -0.038 0.000 2.275 65 L HA -0.054 4.286 4.340 -0.000 0.000 0.215 65 L C 0.134 176.989 176.870 -0.026 0.000 1.119 65 L CA 0.498 55.321 54.840 -0.028 0.000 0.790 65 L CB -0.465 41.576 42.059 -0.031 0.000 0.919 65 L HN 0.178 nan 8.230 nan 0.000 0.443 66 E N 0.584 120.764 120.200 -0.034 0.000 2.297 66 E HA -0.208 4.142 4.350 -0.000 0.000 0.228 66 E C -0.388 176.197 176.600 -0.024 0.000 1.213 66 E CA 0.061 56.444 56.400 -0.029 0.000 0.712 66 E CB -0.858 28.830 29.700 -0.020 0.000 1.202 66 E HN 0.396 nan 8.360 nan 0.000 0.376 67 Q N 0.456 120.239 119.800 -0.027 0.000 2.325 67 Q HA 0.107 4.447 4.340 -0.000 0.000 0.262 67 Q C 1.007 176.994 176.000 -0.021 0.000 0.968 67 Q CA -0.268 55.523 55.803 -0.020 0.000 0.877 67 Q CB 1.753 30.480 28.738 -0.018 0.000 1.253 67 Q HN 0.197 nan 8.270 nan 0.000 0.448 68 E N 2.424 122.614 120.200 -0.017 0.000 2.070 68 E HA -0.227 4.122 4.350 -0.000 0.000 0.197 68 E C 1.230 177.823 176.600 -0.013 0.000 1.004 68 E CA 2.426 58.817 56.400 -0.015 0.000 0.805 68 E CB 0.292 29.985 29.700 -0.012 0.000 0.744 68 E HN 0.804 nan 8.360 nan 0.000 0.451 69 T N -0.590 113.958 114.554 -0.010 0.000 2.684 69 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 69 T C 2.323 177.019 174.700 -0.006 0.000 1.036 69 T CA 1.786 63.882 62.100 -0.007 0.000 1.148 69 T CB -0.659 68.206 68.868 -0.004 0.000 0.863 69 T HN 0.195 nan 8.240 nan 0.000 0.436 70 I N 1.491 122.055 120.570 -0.010 0.000 2.202 70 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 70 I C 2.987 179.093 176.117 -0.019 0.000 1.091 70 I CA 1.546 62.839 61.300 -0.012 0.000 1.368 70 I CB -0.839 37.148 38.000 -0.022 0.000 1.058 70 I HN 0.308 nan 8.210 nan 0.000 0.410 71 T N -0.141 114.395 114.554 -0.031 0.000 2.746 71 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 71 T C 1.920 176.617 174.700 -0.005 0.000 1.039 71 T CA 1.972 64.052 62.100 -0.035 0.000 1.142 71 T CB -0.348 68.497 68.868 -0.038 0.000 0.866 71 T HN 0.341 nan 8.240 nan 0.000 0.444 72 T N 1.677 116.229 114.554 -0.004 0.000 2.788 72 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 72 T C 2.050 176.753 174.700 0.005 0.000 1.044 72 T CA 1.207 63.308 62.100 0.001 0.000 1.139 72 T CB -0.233 68.633 68.868 -0.004 0.000 0.867 72 T HN 0.449 nan 8.240 nan 0.000 0.454 73 Q N 0.172 119.975 119.800 0.006 0.000 2.119 73 Q HA 0.000 4.340 4.340 -0.000 0.000 0.201 73 Q C 2.222 178.233 176.000 0.019 0.000 0.972 73 Q CA 0.995 56.800 55.803 0.003 0.000 0.847 73 Q CB -0.185 28.560 28.738 0.011 0.000 0.903 73 Q HN 0.479 nan 8.270 nan 0.000 0.433 74 L N 0.402 121.665 121.223 0.066 0.000 2.109 74 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 74 L C 2.596 179.580 176.870 0.190 0.000 1.086 74 L CA 1.107 56.059 54.840 0.188 0.000 0.760 74 L CB -0.280 41.856 42.059 0.129 0.000 0.910 74 L HN 0.311 nan 8.230 nan 0.000 0.437 75 Q N 0.658 120.520 119.800 0.104 0.000 2.079 75 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 75 Q C 2.224 178.245 176.000 0.036 0.000 0.974 75 Q CA 1.646 57.503 55.803 0.090 0.000 0.840 75 Q CB -0.137 28.631 28.738 0.051 0.000 0.898 75 Q HN 0.271 nan 8.270 nan 0.000 0.430 76 R N -0.577 119.919 120.500 -0.007 0.000 2.066 76 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 76 R C 1.346 177.575 176.300 -0.119 0.000 1.131 76 R CA 1.649 57.721 56.100 -0.047 0.000 0.955 76 R CB -0.123 30.149 30.300 -0.047 0.000 0.851 76 R HN 0.312 nan 8.270 nan 0.000 0.432 77 N N -0.631 117.930 118.700 -0.232 0.000 2.354 77 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 77 N C -0.343 174.719 175.510 -0.747 0.000 1.021 77 N CA 0.951 53.668 53.050 -0.555 0.000 0.887 77 N CB 0.285 38.271 38.487 -0.836 0.000 0.974 77 N HN 0.251 nan 8.380 nan 0.000 0.437 78 Y N -0.031 120.327 120.300 0.096 0.000 2.511 78 Y HA 0.341 4.891 4.550 0.001 0.000 0.356 78 Y C -1.731 174.224 175.900 0.091 0.000 1.002 78 Y CA -2.367 55.792 58.100 0.099 0.000 1.127 78 Y CB 1.064 39.623 38.460 0.165 0.000 1.137 78 Y HN -0.020 nan 8.280 nan 0.000 0.652 79 P HA -0.145 nan 4.420 nan 0.000 0.220 79 P C 0.901 178.255 177.300 0.090 0.000 1.144 79 P CA 1.723 64.874 63.100 0.085 0.000 0.800 79 P CB 0.199 31.924 31.700 0.040 0.000 0.772 80 T N -4.870 109.744 114.554 0.101 0.000 3.252 80 T HA 0.559 4.909 4.350 -0.000 0.000 0.286 80 T C 0.778 175.520 174.700 0.071 0.000 1.013 80 T CA -0.007 62.139 62.100 0.076 0.000 0.914 80 T CB -0.041 68.865 68.868 0.062 0.000 1.131 80 T HN 0.363 nan 8.240 nan 0.000 0.529 81 G N 2.669 111.521 108.800 0.086 0.000 2.660 81 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 81 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 81 G C 0.314 175.166 174.900 -0.079 0.000 1.345 81 G CA -0.276 44.786 45.100 -0.064 0.000 0.877 81 G HN 1.003 nan 8.290 nan 0.000 0.549 82 I N -3.128 117.303 120.570 -0.230 0.000 3.956 82 I HA 0.713 4.883 4.170 -0.000 0.000 0.333 82 I C 0.376 176.524 176.117 0.052 0.000 1.302 82 I CA -0.050 61.151 61.300 -0.164 0.000 1.122 82 I CB 0.311 38.129 38.000 -0.303 0.000 1.013 82 I HN 0.373 nan 8.210 nan 0.000 0.405 83 F N 2.646 122.564 119.950 -0.055 0.000 2.539 83 F HA 0.671 5.198 4.527 -0.000 0.000 0.318 83 F C -2.734 173.082 175.800 0.026 0.000 1.135 83 F CA -2.801 55.199 58.000 -0.001 0.000 0.915 83 F CB 1.633 40.640 39.000 0.012 0.000 1.176 83 F HN -0.215 nan 8.300 nan 0.000 0.440 84 P HA 0.060 nan 4.420 nan 0.000 0.261 84 P C -0.205 176.988 177.300 -0.177 0.000 1.183 84 P CA 0.412 63.318 63.100 -0.324 0.000 0.761 84 P CB 0.396 31.860 31.700 -0.392 0.000 0.785 85 L N 3.680 124.918 121.223 0.026 0.000 2.727 85 L HA 0.105 4.445 4.340 -0.000 0.000 0.237 85 L C 0.876 177.870 176.870 0.207 0.000 1.370 85 L CA -0.076 54.868 54.840 0.172 0.000 1.248 85 L CB -0.862 41.314 42.059 0.196 0.000 1.556 85 L HN 0.353 nan 8.230 nan 0.000 0.420 86 Q N 0.664 120.549 119.800 0.142 0.000 2.337 86 Q HA 0.230 4.570 4.340 -0.000 0.000 0.270 86 Q C 0.094 176.242 176.000 0.246 0.000 1.002 86 Q CA 0.238 56.134 55.803 0.155 0.000 0.888 86 Q CB 1.637 30.439 28.738 0.107 0.000 1.222 86 Q HN 0.331 nan 8.270 nan 0.000 0.400 87 S N 0.066 115.889 115.700 0.205 0.000 2.549 87 S HA 0.600 5.070 4.470 -0.000 0.000 0.280 87 S C -0.436 174.241 174.600 0.129 0.000 1.109 87 S CA -0.256 58.076 58.200 0.221 0.000 0.905 87 S CB 1.667 64.962 63.200 0.158 0.000 1.081 87 S HN 0.646 nan 8.310 nan 0.000 0.477 88 A N 2.587 125.480 122.820 0.121 0.000 2.308 88 A HA 0.370 4.690 4.320 -0.000 0.000 0.217 88 A C 0.957 178.584 177.584 0.071 0.000 1.216 88 A CA 0.112 52.205 52.037 0.093 0.000 0.864 88 A CB -0.159 18.902 19.000 0.103 0.000 0.902 88 A HN 0.763 nan 8.150 nan 0.000 0.499 89 Q N -1.113 118.724 119.800 0.061 0.000 2.063 89 Q HA 0.343 4.683 4.340 -0.000 0.000 0.245 89 Q C 0.572 176.575 176.000 0.004 0.000 0.828 89 Q CA 0.356 56.182 55.803 0.039 0.000 1.089 89 Q CB 0.328 29.096 28.738 0.051 0.000 1.232 89 Q HN 0.829 nan 8.270 nan 0.000 0.445 90 G N 1.416 110.213 108.800 -0.004 0.000 2.198 90 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 90 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 90 G C 0.006 174.849 174.900 -0.095 0.000 1.025 90 G CA 0.209 45.288 45.100 -0.035 0.000 0.769 90 G HN 0.372 nan 8.290 nan 0.000 0.507 91 I N 0.610 121.087 120.570 -0.156 0.000 2.396 91 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 91 I C 0.090 175.897 176.117 -0.517 0.000 0.999 91 I CA -1.163 59.919 61.300 -0.365 0.000 1.310 91 I CB 1.438 39.120 38.000 -0.530 0.000 1.404 91 I HN 0.135 nan 8.210 nan 0.000 0.496 92 D N 5.561 125.691 120.400 -0.449 0.000 2.347 92 D HA 0.157 4.797 4.640 -0.000 0.000 0.235 92 D C -0.138 175.934 176.300 -0.380 0.000 1.149 92 D CA -0.090 53.723 54.000 -0.311 0.000 0.850 92 D CB 0.468 41.174 40.800 -0.157 0.000 1.061 92 D HN 0.277 nan 8.370 nan 0.000 0.487 93 Y N 3.064 123.374 120.300 0.017 0.000 2.524 93 Y HA 0.146 4.696 4.550 -0.000 0.000 0.266 93 Y C 1.496 177.397 175.900 0.002 0.000 1.180 93 Y CA -0.368 57.743 58.100 0.018 0.000 1.244 93 Y CB 0.120 38.606 38.460 0.043 0.000 1.125 93 Y HN 0.401 nan 8.280 nan 0.000 0.524 94 L N 1.684 122.961 121.223 0.090 0.000 2.056 94 L HA -0.007 4.332 4.340 -0.000 0.000 0.207 94 L C -0.894 175.988 176.870 0.019 0.000 1.078 94 L CA 1.869 56.741 54.840 0.052 0.000 0.749 94 L CB -1.265 40.810 42.059 0.026 0.000 0.901 94 L HN -0.035 nan 8.230 nan 0.000 0.433 95 P HA -0.141 nan 4.420 nan 0.000 0.218 95 P C 1.862 179.146 177.300 -0.027 0.000 1.149 95 P CA 0.964 64.054 63.100 -0.016 0.000 0.817 95 P CB -0.051 31.639 31.700 -0.017 0.000 0.785 96 L N -0.003 121.230 121.223 0.017 0.000 2.056 96 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 96 L C 2.295 179.086 176.870 -0.132 0.000 1.078 96 L CA 1.980 56.808 54.840 -0.021 0.000 0.749 96 L CB -1.546 40.566 42.059 0.089 0.000 0.901 96 L HN -0.080 nan 8.230 nan 0.000 0.433 97 Q N 0.096 119.846 119.800 -0.083 0.000 2.124 97 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 97 Q C 2.012 177.876 176.000 -0.228 0.000 0.977 97 Q CA 2.002 57.700 55.803 -0.176 0.000 0.850 97 Q CB -0.079 28.623 28.738 -0.060 0.000 0.901 97 Q HN 0.706 nan 8.270 nan 0.000 0.429 98 E N -0.124 119.997 120.200 -0.131 0.000 2.106 98 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 98 E C 1.895 178.394 176.600 -0.168 0.000 0.984 98 E CA 0.908 57.239 56.400 -0.115 0.000 0.806 98 E CB -0.060 29.602 29.700 -0.062 0.000 0.750 98 E HN 0.436 nan 8.360 nan 0.000 0.458 99 A N 1.091 123.796 122.820 -0.193 0.000 1.898 99 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 99 A C 2.163 179.526 177.584 -0.369 0.000 1.181 99 A CA 0.922 52.819 52.037 -0.233 0.000 0.620 99 A CB -0.529 18.352 19.000 -0.198 0.000 0.819 99 A HN 0.123 nan 8.150 nan 0.000 0.442 100 L N -0.755 120.191 121.223 -0.461 0.000 2.093 100 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 100 L C 2.801 179.350 176.870 -0.535 0.000 1.085 100 L CA 1.022 55.495 54.840 -0.612 0.000 0.755 100 L CB -0.718 40.942 42.059 -0.666 0.000 0.904 100 L HN 0.495 nan 8.230 nan 0.000 0.435 101 G N -1.142 107.373 108.800 -0.475 0.000 2.432 101 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 101 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 101 G C 1.568 176.395 174.900 -0.121 0.000 1.135 101 G CA 0.792 45.787 45.100 -0.174 0.000 0.767 101 G HN 0.353 nan 8.290 nan 0.000 0.550 102 S N 0.383 115.972 115.700 -0.186 0.000 2.603 102 S HA 0.099 4.569 4.470 -0.000 0.000 0.220 102 S C 0.948 175.416 174.600 -0.219 0.000 0.967 102 S CA 0.270 58.376 58.200 -0.157 0.000 0.920 102 S CB 0.019 63.136 63.200 -0.139 0.000 0.773 102 S HN 0.419 nan 8.310 nan 0.000 0.529 103 Q N 0.832 120.408 119.800 -0.373 0.000 2.480 103 Q HA -0.194 4.146 4.340 -0.000 0.000 0.265 103 Q C -0.529 175.113 176.000 -0.597 0.000 1.072 103 Q CA 0.762 56.190 55.803 -0.625 0.000 1.018 103 Q CB -1.868 26.744 28.738 -0.209 0.000 1.433 103 Q HN 0.562 nan 8.270 nan 0.000 0.513 104 D N -0.473 119.652 120.400 -0.458 0.000 2.522 104 D HA 0.209 4.849 4.640 -0.000 0.000 0.218 104 D C 0.552 176.719 176.300 -0.222 0.000 1.149 104 D CA -0.407 53.454 54.000 -0.232 0.000 0.981 104 D CB -0.469 40.231 40.800 -0.166 0.000 1.041 104 D HN 0.022 nan 8.370 nan 0.000 0.518 105 F N 1.058 121.068 119.950 0.100 0.000 2.293 105 F HA -0.005 4.522 4.527 0.000 0.000 0.300 105 F C 2.315 178.235 175.800 0.200 0.000 1.086 105 F CA 0.556 58.674 58.000 0.197 0.000 1.375 105 F CB -0.092 39.147 39.000 0.398 0.000 1.045 105 F HN 0.374 nan 8.300 nan 0.000 0.516 106 E N 0.086 120.386 120.200 0.166 0.000 2.047 106 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 106 E C 1.997 178.441 176.600 -0.260 0.000 0.987 106 E CA 1.825 57.999 56.400 -0.377 0.000 0.799 106 E CB -0.074 29.263 29.700 -0.605 0.000 0.752 106 E HN 0.254 nan 8.360 nan 0.000 0.449 107 T N 0.508 114.972 114.554 -0.149 0.000 2.777 107 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 107 T C 1.840 176.519 174.700 -0.035 0.000 1.040 107 T CA 1.149 63.181 62.100 -0.115 0.000 1.141 107 T CB -0.291 68.508 68.868 -0.114 0.000 0.868 107 T HN 0.323 nan 8.240 nan 0.000 0.444 108 A N 1.567 124.377 122.820 -0.017 0.000 1.940 108 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 108 A C 2.083 179.889 177.584 0.371 0.000 1.176 108 A CA 2.194 54.245 52.037 0.023 0.000 0.631 108 A CB -0.839 17.989 19.000 -0.286 0.000 0.814 108 A HN 0.527 nan 8.150 nan 0.000 0.446 109 D N -0.634 120.043 120.400 0.460 0.000 2.097 109 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 109 D C 1.913 178.337 176.300 0.206 0.000 0.989 109 D CA 1.671 55.926 54.000 0.425 0.000 0.827 109 D CB -0.168 40.857 40.800 0.375 0.000 0.966 109 D HN 0.621 nan 8.370 nan 0.000 0.456 110 E N -0.172 120.070 120.200 0.070 0.000 2.051 110 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 110 E C 2.397 179.042 176.600 0.075 0.000 0.991 110 E CA 0.861 57.279 56.400 0.030 0.000 0.799 110 E CB -0.103 29.564 29.700 -0.055 0.000 0.748 110 E HN 0.415 nan 8.360 nan 0.000 0.449 111 I N 1.039 121.658 120.570 0.081 0.000 2.208 111 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 111 I C 2.367 178.580 176.117 0.160 0.000 1.097 111 I CA 1.169 62.525 61.300 0.093 0.000 1.363 111 I CB -0.430 37.614 38.000 0.073 0.000 1.051 111 I HN 0.141 nan 8.210 nan 0.000 0.413 112 T N 0.262 114.965 114.554 0.248 0.000 2.746 112 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 112 T C 2.008 176.837 174.700 0.215 0.000 1.039 112 T CA 1.382 63.663 62.100 0.301 0.000 1.142 112 T CB -0.308 68.819 68.868 0.432 0.000 0.866 112 T HN 0.342 nan 8.240 nan 0.000 0.444 113 R N 1.027 121.634 120.500 0.179 0.000 2.091 113 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 113 R C 2.179 178.537 176.300 0.098 0.000 1.136 113 R CA 2.201 58.386 56.100 0.141 0.000 0.959 113 R CB -0.480 29.909 30.300 0.148 0.000 0.856 113 R HN 0.398 nan 8.270 nan 0.000 0.437 114 D N 0.034 120.484 120.400 0.084 0.000 2.117 114 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 114 D C 1.608 177.936 176.300 0.047 0.000 0.987 114 D CA 1.358 55.387 54.000 0.049 0.000 0.829 114 D CB 0.207 41.027 40.800 0.035 0.000 0.961 114 D HN 0.075 nan 8.370 nan 0.000 0.460 115 K N 0.095 120.543 120.400 0.079 0.000 2.057 115 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 115 K C 2.349 178.963 176.600 0.024 0.000 1.049 115 K CA 0.557 56.888 56.287 0.073 0.000 0.931 115 K CB -0.589 32.035 32.500 0.206 0.000 0.714 115 K HN 0.346 nan 8.250 nan 0.000 0.440 116 L N 0.234 121.469 121.223 0.019 0.000 2.046 116 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 116 L C 2.719 179.626 176.870 0.062 0.000 1.077 116 L CA 0.980 55.767 54.840 -0.087 0.000 0.747 116 L CB -0.609 41.462 42.059 0.020 0.000 0.896 116 L HN 0.153 nan 8.230 nan 0.000 0.432 117 C N -0.182 119.161 119.300 0.072 0.000 2.429 117 C HA -0.182 4.278 4.460 -0.000 0.000 0.277 117 C C 2.816 177.841 174.990 0.059 0.000 1.262 117 C CA 1.115 60.172 59.018 0.066 0.000 1.733 117 C CB -0.610 27.135 27.740 0.008 0.000 2.010 117 C HN 0.554 nan 8.230 nan 0.000 0.483 118 E N 0.275 120.492 120.200 0.029 0.000 2.077 118 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 118 E C 2.079 178.700 176.600 0.035 0.000 0.989 118 E CA 1.082 57.490 56.400 0.014 0.000 0.800 118 E CB -0.171 29.517 29.700 -0.018 0.000 0.746 118 E HN 0.604 nan 8.360 nan 0.000 0.452 119 L N 0.353 121.593 121.223 0.028 0.000 2.046 119 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 119 L C 2.617 179.627 176.870 0.234 0.000 1.077 119 L CA 1.083 55.962 54.840 0.064 0.000 0.747 119 L CB -0.424 41.540 42.059 -0.158 0.000 0.896 119 L HN 0.244 nan 8.230 nan 0.000 0.432 120 A N -0.655 122.363 122.820 0.329 0.000 2.070 120 A HA 0.166 4.486 4.320 -0.000 0.000 0.220 120 A C 1.476 179.142 177.584 0.138 0.000 1.159 120 A CA 1.336 53.547 52.037 0.289 0.000 0.656 120 A CB -0.607 18.539 19.000 0.244 0.000 0.800 120 A HN 0.584 nan 8.150 nan 0.000 0.453 121 G N -1.684 107.176 108.800 0.101 0.000 2.513 121 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.227 121 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.227 121 G C -2.808 172.114 174.900 0.036 0.000 1.176 121 G CA -0.393 44.742 45.100 0.058 0.000 0.967 121 G HN 0.343 nan 8.290 nan 0.000 0.587 122 P HA 0.417 nan 4.420 nan 0.000 0.266 122 P C 0.710 178.018 177.300 0.014 0.000 1.215 122 P CA 2.045 65.153 63.100 0.013 0.000 0.763 122 P CB 0.605 32.309 31.700 0.008 0.000 0.806 123 G N 3.022 111.826 108.800 0.006 0.000 2.160 123 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.251 123 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.251 123 G C 0.716 175.618 174.900 0.005 0.000 1.008 123 G CA 0.178 45.281 45.100 0.004 0.000 0.724 123 G HN 0.710 nan 8.290 nan 0.000 0.514 124 A N -0.464 122.354 122.820 -0.004 0.000 2.358 124 A HA 0.655 4.975 4.320 -0.000 0.000 0.223 124 A C 1.490 179.036 177.584 -0.063 0.000 1.218 124 A CA 1.388 53.408 52.037 -0.029 0.000 0.942 124 A CB 0.005 19.015 19.000 0.017 0.000 1.005 124 A HN 1.897 nan 8.150 nan 0.000 0.514 125 S N 0.127 115.803 115.700 -0.042 0.000 2.525 125 S HA 0.305 4.775 4.470 -0.000 0.000 0.285 125 S C 0.409 174.967 174.600 -0.070 0.000 1.283 125 S CA 0.548 58.721 58.200 -0.044 0.000 1.072 125 S CB 0.908 64.092 63.200 -0.027 0.000 0.867 125 S HN 0.457 nan 8.310 nan 0.000 0.492 126 Q N -1.545 118.215 119.800 -0.068 0.000 2.324 126 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 126 Q C 0.168 176.079 176.000 -0.148 0.000 0.645 126 Q CA 1.852 57.611 55.803 -0.074 0.000 1.377 126 Q CB -1.490 27.215 28.738 -0.054 0.000 1.486 126 Q HN 0.938 nan 8.270 nan 0.000 0.796 127 R N 0.880 121.237 120.500 -0.239 0.000 2.543 127 R HA 0.122 4.462 4.340 -0.000 0.000 0.277 127 R C 0.384 176.409 176.300 -0.459 0.000 1.074 127 R CA 0.070 55.867 56.100 -0.506 0.000 1.076 127 R CB 0.512 30.452 30.300 -0.601 0.000 0.993 127 R HN 0.016 nan 8.270 nan 0.000 0.459 128 Q N 3.413 122.852 119.800 -0.602 0.000 2.247 128 Q HA 0.094 4.434 4.340 -0.000 0.000 0.205 128 Q C -1.226 174.702 176.000 -0.120 0.000 0.896 128 Q CA 0.238 55.947 55.803 -0.157 0.000 0.950 128 Q CB 0.153 28.958 28.738 0.112 0.000 1.054 128 Q HN 0.565 nan 8.270 nan 0.000 0.482 129 W N -1.303 119.864 121.300 -0.222 0.000 3.146 129 W HA 0.603 5.263 4.660 0.000 0.000 0.319 129 W C -1.812 174.498 176.519 -0.348 0.000 1.258 129 W CA -1.015 56.124 57.345 -0.343 0.000 1.189 129 W CB 0.279 29.477 29.460 -0.436 0.000 1.412 129 W HN -0.244 nan 8.180 nan 0.000 0.567 130 L N 1.617 122.766 121.223 -0.124 0.000 2.335 130 L HA 0.600 4.940 4.340 -0.000 0.000 0.268 130 L C -0.830 175.829 176.870 -0.352 0.000 1.016 130 L CA -1.454 53.273 54.840 -0.187 0.000 0.805 130 L CB 1.000 43.029 42.059 -0.051 0.000 1.311 130 L HN 0.465 nan 8.230 nan 0.000 0.456 131 Y N -0.405 119.920 120.300 0.042 0.000 2.409 131 Y HA 0.163 4.713 4.550 0.000 0.000 0.339 131 Y C 0.754 176.584 175.900 -0.116 0.000 1.033 131 Y CA -0.902 57.194 58.100 -0.006 0.000 1.094 131 Y CB 1.208 39.624 38.460 -0.074 0.000 1.210 131 Y HN 0.470 nan 8.280 nan 0.000 0.456 132 F N -0.661 119.311 119.950 0.037 0.000 2.192 132 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 132 F C 1.889 177.643 175.800 -0.077 0.000 1.079 132 F CA 1.658 59.625 58.000 -0.055 0.000 1.303 132 F CB -1.477 37.495 39.000 -0.046 0.000 1.024 132 F HN 0.462 nan 8.300 nan 0.000 0.494 133 T N -2.153 111.806 114.554 -0.992 0.000 2.915 133 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 133 T C 1.446 175.929 174.700 -0.361 0.000 1.071 133 T CA 1.422 63.111 62.100 -0.684 0.000 1.132 133 T CB -0.621 67.828 68.868 -0.699 0.000 0.878 133 T HN 0.601 nan 8.240 nan 0.000 0.479 134 E N 0.802 120.812 120.200 -0.317 0.000 2.072 134 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 134 E C 2.392 178.526 176.600 -0.777 0.000 0.982 134 E CA 0.845 57.036 56.400 -0.347 0.000 0.803 134 E CB -0.236 29.350 29.700 -0.191 0.000 0.755 134 E HN 0.339 nan 8.360 nan 0.000 0.453 135 V N 1.972 121.394 119.914 -0.820 0.000 2.343 135 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 135 V C 1.950 177.766 176.094 -0.463 0.000 1.051 135 V CA 1.893 63.565 62.300 -1.047 0.000 1.036 135 V CB -0.518 31.085 31.823 -0.368 0.000 0.654 135 V HN 0.244 nan 8.190 nan 0.000 0.451 136 E N -0.058 120.012 120.200 -0.218 0.000 2.265 136 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 136 E C 1.858 178.412 176.600 -0.076 0.000 0.996 136 E CA 0.921 57.275 56.400 -0.077 0.000 0.832 136 E CB -0.101 29.575 29.700 -0.039 0.000 0.756 136 E HN 0.580 nan 8.360 nan 0.000 0.491 137 K N -0.112 120.217 120.400 -0.119 0.000 2.358 137 K HA 0.094 4.414 4.320 -0.000 0.000 0.197 137 K C -0.171 176.535 176.600 0.176 0.000 1.025 137 K CA -0.347 55.938 56.287 -0.002 0.000 1.104 137 K CB 0.357 32.836 32.500 -0.034 0.000 0.855 137 K HN -0.076 nan 8.250 nan 0.000 0.531 138 F N 2.983 123.029 119.950 0.160 0.000 2.595 138 F HA 0.028 4.555 4.527 0.000 0.000 0.359 138 F C -1.626 174.289 175.800 0.192 0.000 1.147 138 F CA -2.620 55.463 58.000 0.139 0.000 1.341 138 F CB -0.287 38.747 39.000 0.057 0.000 1.104 138 F HN -0.025 nan 8.300 nan 0.000 0.603 139 P HA 0.203 nan 4.420 nan 0.000 0.278 139 P C -0.182 177.210 177.300 0.153 0.000 1.238 139 P CA -0.205 63.023 63.100 0.214 0.000 0.794 139 P CB 1.159 32.949 31.700 0.150 0.000 0.955 140 A N 2.837 125.778 122.820 0.203 0.000 1.933 140 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 140 A C 1.947 179.525 177.584 -0.010 0.000 1.175 140 A CA 1.388 53.491 52.037 0.110 0.000 0.628 140 A CB -1.447 17.725 19.000 0.286 0.000 0.814 140 A HN 0.524 nan 8.150 nan 0.000 0.444 141 L N 0.470 121.745 121.223 0.087 0.000 2.012 141 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 141 L C 1.640 178.525 176.870 0.025 0.000 1.073 141 L CA 2.725 57.599 54.840 0.056 0.000 0.748 141 L CB -0.854 41.293 42.059 0.146 0.000 0.891 141 L HN 0.438 nan 8.230 nan 0.000 0.431 142 D N -0.881 119.543 120.400 0.039 0.000 2.144 142 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 142 D C 2.288 178.522 176.300 -0.111 0.000 0.984 142 D CA 1.467 55.485 54.000 0.030 0.000 0.834 142 D CB -0.128 40.729 40.800 0.095 0.000 0.955 142 D HN 0.347 nan 8.370 nan 0.000 0.465 143 L N -0.374 120.754 121.223 -0.159 0.000 2.109 143 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 143 L C 2.291 179.060 176.870 -0.170 0.000 1.086 143 L CA 0.946 55.671 54.840 -0.192 0.000 0.760 143 L CB -0.396 41.431 42.059 -0.387 0.000 0.910 143 L HN 0.186 nan 8.230 nan 0.000 0.437 144 H N 0.009 118.875 119.070 -0.339 0.000 2.321 144 H HA -0.155 4.401 4.556 0.000 0.000 0.300 144 H C 2.165 177.437 175.328 -0.094 0.000 1.087 144 H CA 2.219 58.100 56.048 -0.279 0.000 1.319 144 H CB -0.078 29.266 29.762 -0.697 0.000 1.379 144 H HN 0.069 nan 8.280 nan 0.000 0.501 145 T N 0.688 115.171 114.554 -0.118 0.000 2.708 145 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 145 T C 2.225 176.769 174.700 -0.259 0.000 1.037 145 T CA 1.576 63.608 62.100 -0.112 0.000 1.146 145 T CB -0.275 68.532 68.868 -0.101 0.000 0.865 145 T HN 0.280 nan 8.240 nan 0.000 0.435 146 I N 1.387 121.771 120.570 -0.311 0.000 2.127 146 I HA -0.221 3.949 4.170 -0.000 0.000 0.241 146 I C 2.567 178.717 176.117 0.054 0.000 1.075 146 I CA 1.392 62.606 61.300 -0.144 0.000 1.334 146 I CB -0.389 37.599 38.000 -0.020 0.000 1.040 146 I HN 0.234 nan 8.210 nan 0.000 0.405 147 N N 0.834 119.522 118.700 -0.019 0.000 2.084 147 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 147 N C 1.824 177.232 175.510 -0.170 0.000 1.030 147 N CA 1.619 54.601 53.050 -0.114 0.000 0.849 147 N CB -0.119 38.209 38.487 -0.266 0.000 1.012 147 N HN 0.332 nan 8.380 nan 0.000 0.423 148 A N 0.513 123.166 122.820 -0.279 0.000 1.908 148 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 148 A C 2.271 179.785 177.584 -0.116 0.000 1.181 148 A CA 1.160 53.044 52.037 -0.255 0.000 0.627 148 A CB -0.875 17.524 19.000 -1.002 0.000 0.818 148 A HN 0.376 nan 8.150 nan 0.000 0.445 149 L N -2.754 118.400 121.223 -0.115 0.000 2.017 149 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 149 L C 2.629 179.588 176.870 0.148 0.000 1.073 149 L CA 1.550 56.409 54.840 0.031 0.000 0.745 149 L CB -0.577 41.457 42.059 -0.042 0.000 0.894 149 L HN 0.603 nan 8.230 nan 0.000 0.432 150 W N -0.789 120.578 121.300 0.112 0.000 2.338 150 W HA -0.265 4.396 4.660 0.001 0.000 0.304 150 W C 2.462 179.145 176.519 0.274 0.000 1.212 150 W CA 1.217 58.681 57.345 0.199 0.000 1.264 150 W CB -0.519 28.971 29.460 0.050 0.000 1.142 150 W HN 0.234 nan 8.180 nan 0.000 0.512 151 W N 0.058 121.486 121.300 0.213 0.000 2.407 151 W HA -0.096 4.564 4.660 0.000 0.000 0.305 151 W C 1.991 178.555 176.519 0.075 0.000 1.196 151 W CA 1.627 59.058 57.345 0.143 0.000 1.311 151 W CB -0.674 28.869 29.460 0.137 0.000 1.135 151 W HN -0.273 nan 8.180 nan 0.000 0.514 152 L N -0.405 120.952 121.223 0.224 0.000 2.191 152 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 152 L C 1.799 178.473 176.870 -0.327 0.000 1.103 152 L CA 0.966 55.729 54.840 -0.129 0.000 0.769 152 L CB -0.766 41.177 42.059 -0.193 0.000 0.908 152 L HN 0.079 nan 8.230 nan 0.000 0.438 153 H N -1.556 117.546 119.070 0.054 0.000 2.520 153 H HA 0.204 4.759 4.556 -0.000 0.000 0.284 153 H C 1.155 176.595 175.328 0.187 0.000 1.037 153 H CA 0.731 56.829 56.048 0.083 0.000 1.168 153 H CB 0.508 30.284 29.762 0.023 0.000 1.497 153 H HN 0.313 nan 8.280 nan 0.000 0.547 154 S N -0.482 115.307 115.700 0.148 0.000 3.031 154 S HA -0.000 4.470 4.470 -0.000 0.000 0.253 154 S C 0.413 174.893 174.600 -0.200 0.000 0.996 154 S CA -0.406 57.807 58.200 0.021 0.000 1.098 154 S CB -0.069 63.144 63.200 0.022 0.000 1.042 154 S HN 0.279 nan 8.310 nan 0.000 0.593 155 N N 1.775 120.347 118.700 -0.213 0.000 2.721 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.902 176.162 175.510 -0.416 0.000 1.072 155 N CA 1.512 54.380 53.050 -0.303 0.000 0.710 155 N CB -1.734 36.629 38.487 -0.208 0.000 0.993 155 N HN 1.589 nan 8.380 nan 0.000 0.547 156 G N -1.098 107.348 108.800 -0.590 0.000 2.155 156 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 156 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 156 G C 0.827 175.618 174.900 -0.181 0.000 0.983 156 G CA 0.502 45.190 45.100 -0.687 0.000 0.676 156 G HN 0.585 nan 8.290 nan 0.000 0.528 157 N N -0.874 117.689 118.700 -0.227 0.000 2.392 157 N HA 0.204 4.944 4.740 -0.000 0.000 0.177 157 N C 0.097 175.551 175.510 -0.093 0.000 1.066 157 N CA 0.628 53.538 53.050 -0.233 0.000 0.895 157 N CB 0.160 38.379 38.487 -0.447 0.000 0.988 157 N HN 0.338 nan 8.380 nan 0.000 0.457 158 F N 0.224 120.226 119.950 0.086 0.000 2.556 158 F HA 0.705 5.232 4.527 -0.000 0.000 0.327 158 F C 0.903 176.757 175.800 0.090 0.000 1.059 158 F CA -1.167 56.886 58.000 0.087 0.000 0.953 158 F CB 1.637 40.795 39.000 0.264 0.000 1.227 158 F HN -0.024 nan 8.300 nan 0.000 0.478 159 G N 0.621 109.445 108.800 0.041 0.000 2.379 159 G HA2 0.037 3.997 3.960 -0.000 0.000 0.609 159 G HA3 0.037 3.997 3.960 -0.000 0.000 0.609 159 G C -0.519 174.162 174.900 -0.364 0.000 1.484 159 G CA -1.067 43.893 45.100 -0.233 0.000 0.921 159 G HN 0.299 nan 8.290 nan 0.000 0.658 160 F N 1.508 121.311 119.950 -0.246 0.000 2.216 160 F HA -0.059 4.468 4.527 0.000 0.000 0.300 160 F C 3.050 178.416 175.800 -0.723 0.000 1.085 160 F CA 1.954 59.770 58.000 -0.307 0.000 1.326 160 F CB -0.537 38.383 39.000 -0.134 0.000 1.027 160 F HN 0.633 nan 8.300 nan 0.000 0.497 161 S N -0.442 114.800 115.700 -0.763 0.000 2.399 161 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 161 S C 2.071 176.455 174.600 -0.360 0.000 1.022 161 S CA 1.290 59.012 58.200 -0.796 0.000 0.983 161 S CB -1.147 61.670 63.200 -0.638 0.000 0.803 161 S HN 0.176 nan 8.310 nan 0.000 0.480 162 V N 2.210 122.005 119.914 -0.199 0.000 2.323 162 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 162 V C 2.899 178.894 176.094 -0.165 0.000 1.041 162 V CA 1.985 64.243 62.300 -0.069 0.000 1.025 162 V CB -1.050 30.799 31.823 0.043 0.000 0.656 162 V HN 0.496 nan 8.190 nan 0.000 0.451 163 Q N -0.175 119.489 119.800 -0.228 0.000 2.096 163 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 163 Q C 2.456 178.081 176.000 -0.625 0.000 0.982 163 Q CA 2.126 57.731 55.803 -0.329 0.000 0.850 163 Q CB -0.333 28.294 28.738 -0.186 0.000 0.901 163 Q HN 0.567 nan 8.270 nan 0.000 0.422 164 R N 0.930 120.934 120.500 -0.826 0.000 2.081 164 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 164 R C 2.108 178.267 176.300 -0.236 0.000 1.131 164 R CA 1.354 57.003 56.100 -0.751 0.000 0.960 164 R CB 0.022 29.906 30.300 -0.693 0.000 0.856 164 R HN 0.134 nan 8.270 nan 0.000 0.436 165 R N 0.295 120.679 120.500 -0.193 0.000 2.081 165 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 165 R C 2.406 178.656 176.300 -0.083 0.000 1.131 165 R CA 1.626 57.678 56.100 -0.080 0.000 0.960 165 R CB -0.394 29.885 30.300 -0.034 0.000 0.856 165 R HN 0.282 nan 8.270 nan 0.000 0.436 166 L N -1.056 120.104 121.223 -0.105 0.000 2.141 166 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 166 L C 2.307 179.123 176.870 -0.091 0.000 1.094 166 L CA 0.848 55.633 54.840 -0.091 0.000 0.763 166 L CB -0.412 41.594 42.059 -0.089 0.000 0.908 166 L HN 0.335 nan 8.230 nan 0.000 0.437 167 W N 1.018 122.111 121.300 -0.344 0.000 2.379 167 W HA -0.147 4.513 4.660 -0.000 0.000 0.307 167 W C 2.166 178.505 176.519 -0.301 0.000 1.200 167 W CA 1.225 58.334 57.345 -0.394 0.000 1.297 167 W CB -0.284 28.884 29.460 -0.487 0.000 1.140 167 W HN -0.062 nan 8.180 nan 0.000 0.507 168 L N 0.671 121.766 121.223 -0.214 0.000 2.046 168 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 168 L C 2.673 179.362 176.870 -0.302 0.000 1.077 168 L CA 1.512 56.133 54.840 -0.366 0.000 0.747 168 L CB -1.394 40.565 42.059 -0.166 0.000 0.896 168 L HN 0.072 nan 8.230 nan 0.000 0.432 169 A N -1.049 121.654 122.820 -0.195 0.000 2.070 169 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 169 A C 2.284 179.758 177.584 -0.183 0.000 1.159 169 A CA 1.593 53.535 52.037 -0.157 0.000 0.656 169 A CB -0.385 18.555 19.000 -0.101 0.000 0.800 169 A HN 0.370 nan 8.150 nan 0.000 0.453 170 S N -1.136 114.421 115.700 -0.238 0.000 2.650 170 S HA 0.340 4.810 4.470 -0.000 0.000 0.219 170 S C 1.348 175.766 174.600 -0.305 0.000 0.960 170 S CA 0.653 58.708 58.200 -0.241 0.000 0.925 170 S CB -0.214 62.838 63.200 -0.247 0.000 0.775 170 S HN 1.537 nan 8.310 nan 0.000 0.525 171 G N 2.626 111.215 108.800 -0.351 0.000 2.160 171 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.251 171 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.251 171 G C 0.254 174.841 174.900 -0.522 0.000 1.008 171 G CA 0.286 45.173 45.100 -0.356 0.000 0.724 171 G HN 0.447 nan 8.290 nan 0.000 0.514 172 K N -1.351 118.516 120.400 -0.887 0.000 3.160 172 K HA -0.197 4.123 4.320 -0.000 0.000 0.280 172 K C 0.082 176.273 176.600 -0.683 0.000 1.154 172 K CA 1.539 56.990 56.287 -1.394 0.000 0.822 172 K CB -0.908 30.851 32.500 -1.234 0.000 1.239 172 K HN 0.741 nan 8.250 nan 0.000 0.489 173 E N 0.190 120.097 120.200 -0.489 0.000 2.081 173 E HA 0.119 4.469 4.350 -0.000 0.000 0.281 173 E C 0.369 176.782 176.600 -0.312 0.000 0.986 173 E CA -0.399 55.835 56.400 -0.278 0.000 0.796 173 E CB 0.337 29.929 29.700 -0.180 0.000 1.085 173 E HN 0.066 nan 8.360 nan 0.000 0.398 174 F N 1.107 120.970 119.950 -0.146 0.000 2.269 174 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 174 F C 2.839 178.328 175.800 -0.518 0.000 1.082 174 F CA 1.587 59.273 58.000 -0.524 0.000 1.360 174 F CB -0.473 38.166 39.000 -0.603 0.000 1.041 174 F HN 0.456 nan 8.300 nan 0.000 0.512 175 T N -2.158 112.365 114.554 -0.052 0.000 2.881 175 T HA -0.186 4.164 4.350 -0.000 0.000 0.270 175 T C 1.761 176.467 174.700 0.009 0.000 1.068 175 T CA 1.352 63.467 62.100 0.025 0.000 1.131 175 T CB -0.285 68.613 68.868 0.050 0.000 0.871 175 T HN 0.278 nan 8.240 nan 0.000 0.479 176 K N -0.137 120.226 120.400 -0.062 0.000 2.242 176 K HA 0.336 4.656 4.320 -0.000 0.000 0.200 176 K C 2.036 178.611 176.600 -0.042 0.000 1.050 176 K CA 0.306 56.568 56.287 -0.043 0.000 0.981 176 K CB -0.170 32.283 32.500 -0.077 0.000 0.795 176 K HN 0.154 nan 8.250 nan 0.000 0.477 177 L N 0.537 121.679 121.223 -0.135 0.000 2.017 177 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 177 L C 1.698 178.637 176.870 0.116 0.000 1.073 177 L CA 1.723 56.499 54.840 -0.105 0.000 0.745 177 L CB -0.439 41.463 42.059 -0.263 0.000 0.894 177 L HN 0.280 nan 8.230 nan 0.000 0.432 178 W N 0.347 121.714 121.300 0.111 0.000 2.318 178 W HA -0.186 4.474 4.660 -0.000 0.000 0.313 178 W C -0.144 176.420 176.519 0.074 0.000 1.221 178 W CA 0.474 57.884 57.345 0.107 0.000 1.266 178 W CB -1.740 27.861 29.460 0.236 0.000 1.150 178 W HN 0.245 nan 8.180 nan 0.000 0.496 179 P HA -0.147 nan 4.420 nan 0.000 0.220 179 P C 1.191 178.567 177.300 0.126 0.000 1.152 179 P CA 1.627 64.841 63.100 0.190 0.000 0.812 179 P CB -0.106 31.676 31.700 0.137 0.000 0.792 180 K N 1.449 121.906 120.400 0.095 0.000 2.063 180 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 180 K C 1.860 178.482 176.600 0.038 0.000 1.048 180 K CA 1.337 57.651 56.287 0.045 0.000 0.928 180 K CB -1.200 31.306 32.500 0.010 0.000 0.713 180 K HN 0.267 nan 8.250 nan 0.000 0.442 181 I N -4.048 116.535 120.570 0.022 0.000 3.928 181 I HA 0.386 4.556 4.170 -0.000 0.000 0.335 181 I C 0.694 176.871 176.117 0.100 0.000 1.325 181 I CA 0.286 61.559 61.300 -0.044 0.000 1.107 181 I CB 0.059 37.874 38.000 -0.308 0.000 1.014 181 I HN 0.190 nan 8.210 nan 0.000 0.400 182 G N 0.963 109.873 108.800 0.185 0.000 2.160 182 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 182 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 182 G C -0.631 174.612 174.900 0.572 0.000 1.022 182 G CA -0.218 45.083 45.100 0.336 0.000 0.741 182 G HN 0.437 nan 8.290 nan 0.000 0.508 183 W N 1.362 122.791 121.300 0.215 0.000 2.299 183 W HA 0.570 5.230 4.660 -0.000 0.000 0.319 183 W C 0.539 177.087 176.519 0.050 0.000 1.008 183 W CA -1.856 55.554 57.345 0.109 0.000 1.384 183 W CB 0.543 29.928 29.460 -0.125 0.000 1.220 183 W HN 0.052 nan 8.180 nan 0.000 0.402 184 K N 1.591 122.112 120.400 0.202 0.000 2.326 184 K HA 0.269 4.589 4.320 -0.000 0.000 0.275 184 K C 0.737 177.386 176.600 0.083 0.000 1.018 184 K CA -0.189 56.168 56.287 0.117 0.000 0.962 184 K CB 0.889 33.406 32.500 0.027 0.000 0.953 184 K HN 0.130 nan 8.250 nan 0.000 0.475 185 S N 0.989 116.756 115.700 0.112 0.000 2.552 185 S HA 0.145 4.615 4.470 -0.000 0.000 0.289 185 S C 1.289 175.909 174.600 0.033 0.000 1.304 185 S CA 0.778 59.034 58.200 0.094 0.000 1.063 185 S CB 0.652 63.922 63.200 0.117 0.000 0.848 185 S HN 0.924 nan 8.310 nan 0.000 0.499 186 G N 2.800 111.604 108.800 0.007 0.000 2.205 186 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.261 186 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.261 186 G C 0.154 175.036 174.900 -0.030 0.000 0.980 186 G CA 0.189 45.279 45.100 -0.016 0.000 0.632 186 G HN 0.695 nan 8.290 nan 0.000 0.533 187 N N 0.584 119.264 118.700 -0.033 0.000 2.868 187 N HA 0.459 5.199 4.740 -0.000 0.000 0.252 187 N C 0.148 175.699 175.510 0.068 0.000 1.130 187 N CA 0.390 53.410 53.050 -0.050 0.000 1.026 187 N CB 0.400 38.776 38.487 -0.186 0.000 1.335 187 N HN 1.066 nan 8.380 nan 0.000 0.516 188 V N 0.406 120.359 119.914 0.064 0.000 3.040 188 V HA 0.935 5.055 4.120 -0.000 0.000 0.312 188 V C -0.833 175.359 176.094 0.163 0.000 1.115 188 V CA -1.087 61.248 62.300 0.057 0.000 0.998 188 V CB 1.251 32.999 31.823 -0.124 0.000 1.042 188 V HN 0.464 nan 8.190 nan 0.000 0.433 189 W N 0.999 122.246 121.300 -0.089 0.000 3.029 189 W HA 0.831 5.491 4.660 0.000 0.000 0.339 189 W C 0.250 176.759 176.519 -0.017 0.000 1.198 189 W CA -0.123 57.162 57.345 -0.099 0.000 1.148 189 W CB 1.286 30.675 29.460 -0.118 0.000 1.451 189 W HN 0.768 nan 8.180 nan 0.000 0.564 190 T N -2.240 112.440 114.554 0.211 0.000 2.955 190 T HA 0.297 4.647 4.350 -0.000 0.000 0.251 190 T C 1.159 176.064 174.700 0.341 0.000 1.002 190 T CA 0.164 62.411 62.100 0.244 0.000 0.970 190 T CB 0.124 69.089 68.868 0.161 0.000 1.091 190 T HN 0.587 nan 8.240 nan 0.000 0.495 191 R N -0.110 120.578 120.500 0.315 0.000 2.243 191 R HA 0.368 4.708 4.340 -0.000 0.000 0.193 191 R C -0.213 176.350 176.300 0.438 0.000 0.933 191 R CA -0.019 56.283 56.100 0.336 0.000 1.105 191 R CB 0.584 31.072 30.300 0.313 0.000 1.169 191 R HN 0.530 nan 8.270 nan 0.000 0.599 192 W N 0.905 122.304 121.300 0.164 0.000 3.479 192 W HA 0.468 5.128 4.660 0.000 0.000 0.304 192 W C -3.300 172.903 176.519 -0.528 0.000 1.243 192 W CA -2.671 54.563 57.345 -0.184 0.000 1.202 192 W CB -0.032 29.361 29.460 -0.113 0.000 1.346 192 W HN -0.249 nan 8.180 nan 0.000 0.539 193 P HA 0.264 nan 4.420 nan 0.000 0.275 193 P C -0.888 176.464 177.300 0.087 0.000 1.228 193 P CA 0.146 62.699 63.100 -0.912 0.000 0.786 193 P CB 1.958 32.777 31.700 -1.468 0.000 0.927 194 K N -0.440 120.031 120.400 0.118 0.000 2.536 194 K HA 0.628 4.948 4.320 -0.000 0.000 0.269 194 K C 0.343 176.880 176.600 -0.105 0.000 0.965 194 K CA -0.662 55.748 56.287 0.205 0.000 0.860 194 K CB 0.861 33.398 32.500 0.062 0.000 1.423 194 K HN 0.527 nan 8.250 nan 0.000 0.438 195 G N 0.033 108.784 108.800 -0.082 0.000 2.159 195 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 195 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 195 G C -0.511 174.068 174.900 -0.534 0.000 0.977 195 G CA 0.384 45.303 45.100 -0.302 0.000 0.652 195 G HN 0.386 nan 8.290 nan 0.000 0.531 196 F N 0.495 120.180 119.950 -0.442 0.000 2.380 196 F HA 0.634 5.161 4.527 -0.000 0.000 0.319 196 F C 1.087 176.568 175.800 -0.533 0.000 1.113 196 F CA -0.118 57.534 58.000 -0.581 0.000 1.056 196 F CB 1.280 39.571 39.000 -1.181 0.000 1.289 196 F HN -0.109 nan 8.300 nan 0.000 0.515 197 T N 1.665 116.194 114.554 -0.041 0.000 3.029 197 T HA 0.101 4.451 4.350 -0.000 0.000 0.346 197 T C -0.348 174.379 174.700 0.045 0.000 1.211 197 T CA -0.299 61.763 62.100 -0.062 0.000 1.009 197 T CB -0.088 68.653 68.868 -0.213 0.000 1.084 197 T HN 0.391 nan 8.240 nan 0.000 0.536 198 W N 4.719 126.161 121.300 0.236 0.000 2.136 198 W HA 0.263 4.923 4.660 -0.000 0.000 0.436 198 W C 0.006 176.707 176.519 0.303 0.000 0.624 198 W CA -0.743 56.747 57.345 0.241 0.000 2.276 198 W CB -0.883 28.711 29.460 0.223 0.000 1.277 198 W HN 0.721 nan 8.180 nan 0.000 0.595 199 D N -2.782 117.842 120.400 0.373 0.000 2.665 199 D HA 0.161 4.801 4.640 -0.000 0.000 0.287 199 D C 0.223 176.644 176.300 0.201 0.000 1.266 199 D CA -0.812 53.398 54.000 0.350 0.000 0.830 199 D CB 0.687 41.676 40.800 0.314 0.000 1.356 199 D HN -0.151 nan 8.370 nan 0.000 0.437 200 L N 0.448 121.734 121.223 0.105 0.000 2.633 200 L HA 0.009 4.349 4.340 -0.000 0.000 0.235 200 L C 1.680 178.537 176.870 -0.020 0.000 1.163 200 L CA 0.986 55.790 54.840 -0.060 0.000 0.859 200 L CB -0.584 41.416 42.059 -0.098 0.000 0.973 200 L HN 0.550 nan 8.230 nan 0.000 0.451 201 S N -1.076 114.648 115.700 0.041 0.000 2.527 201 S HA 0.175 4.645 4.470 -0.000 0.000 0.222 201 S C 1.156 175.749 174.600 -0.012 0.000 0.985 201 S CA 0.018 58.222 58.200 0.007 0.000 0.921 201 S CB -0.039 63.173 63.200 0.020 0.000 0.772 201 S HN 0.251 nan 8.310 nan 0.000 0.529 202 A N 2.834 125.666 122.820 0.021 0.000 2.429 202 A HA 0.538 4.858 4.320 -0.000 0.000 0.242 202 A C -2.212 175.379 177.584 0.011 0.000 1.088 202 A CA -1.148 50.858 52.037 -0.052 0.000 0.784 202 A CB -0.679 18.299 19.000 -0.037 0.000 1.038 202 A HN 0.330 nan 8.150 nan 0.000 0.501 203 P HA 0.102 nan 4.420 nan 0.000 0.270 203 P C -0.369 177.006 177.300 0.125 0.000 1.223 203 P CA -0.204 62.919 63.100 0.038 0.000 0.785 203 P CB 0.311 32.039 31.700 0.047 0.000 0.923 204 Q N 1.071 120.902 119.800 0.052 0.000 2.286 204 Q HA 0.232 4.572 4.340 -0.000 0.000 0.290 204 Q C 1.054 177.118 176.000 0.107 0.000 1.049 204 Q CA 1.179 57.013 55.803 0.052 0.000 0.923 204 Q CB -0.533 28.205 28.738 -0.001 0.000 1.183 204 Q HN 0.808 nan 8.270 nan 0.000 0.383 205 G N 2.815 111.730 108.800 0.193 0.000 2.176 205 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.253 205 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.253 205 G C 0.418 175.360 174.900 0.070 0.000 0.979 205 G CA 0.547 45.706 45.100 0.100 0.000 0.641 205 G HN 0.926 nan 8.290 nan 0.000 0.530 206 H N -0.041 119.090 119.070 0.101 0.000 2.387 206 H HA 0.282 4.838 4.556 -0.000 0.000 0.299 206 H C 1.293 176.629 175.328 0.014 0.000 1.099 206 H CA 2.081 58.169 56.048 0.067 0.000 1.315 206 H CB -0.016 29.820 29.762 0.124 0.000 1.380 206 H HN 0.471 nan 8.280 nan 0.000 0.513 207 L N -0.014 120.959 121.223 -0.417 0.000 2.333 207 L HA 0.426 4.766 4.340 -0.000 0.000 0.263 207 L C -2.375 173.981 176.870 -0.858 0.000 1.014 207 L CA -2.557 51.848 54.840 -0.725 0.000 0.820 207 L CB 2.398 43.779 42.059 -1.132 0.000 1.352 207 L HN -0.046 nan 8.230 nan 0.000 0.421 208 P HA 0.210 nan 4.420 nan 0.000 0.274 208 P C -0.883 176.276 177.300 -0.236 0.000 1.231 208 P CA -0.308 62.238 63.100 -0.923 0.000 0.790 208 P CB 0.534 31.597 31.700 -1.061 0.000 0.951 209 L N 1.985 123.063 121.223 -0.241 0.000 2.397 209 L HA 0.305 4.645 4.340 -0.000 0.000 0.271 209 L C 0.283 177.002 176.870 -0.252 0.000 1.148 209 L CA -0.238 54.345 54.840 -0.430 0.000 0.825 209 L CB -0.001 41.654 42.059 -0.673 0.000 1.117 209 L HN 0.181 nan 8.230 nan 0.000 0.456 210 L N 3.314 124.183 121.223 -0.590 0.000 2.345 210 L HA 0.298 4.638 4.340 -0.000 0.000 0.274 210 L C -0.034 176.454 176.870 -0.637 0.000 0.999 210 L CA -0.655 53.994 54.840 -0.318 0.000 0.849 210 L CB 1.394 43.457 42.059 0.007 0.000 1.220 210 L HN 0.572 nan 8.230 nan 0.000 0.422 211 N N 2.532 120.849 118.700 -0.640 0.000 2.359 211 N HA -0.085 4.655 4.740 -0.000 0.000 0.261 211 N C 0.533 175.645 175.510 -0.664 0.000 1.267 211 N CA 0.502 52.923 53.050 -1.048 0.000 0.864 211 N CB 0.945 38.562 38.487 -1.452 0.000 1.063 211 N HN 0.485 nan 8.380 nan 0.000 0.474 212 Q N 3.117 122.577 119.800 -0.568 0.000 2.280 212 Q HA 0.021 4.361 4.340 -0.000 0.000 0.201 212 Q C 1.399 177.208 176.000 -0.318 0.000 0.890 212 Q CA -0.299 55.276 55.803 -0.379 0.000 0.947 212 Q CB -0.038 28.494 28.738 -0.345 0.000 1.081 212 Q HN 0.653 nan 8.270 nan 0.000 0.502 213 L N 1.153 122.131 121.223 -0.408 0.000 2.034 213 L HA -0.236 4.104 4.340 -0.000 0.000 0.217 213 L C 1.539 178.208 176.870 -0.335 0.000 1.077 213 L CA 2.028 56.648 54.840 -0.366 0.000 0.769 213 L CB 0.010 41.789 42.059 -0.466 0.000 0.890 213 L HN 0.052 nan 8.230 nan 0.000 0.435 214 R N -0.282 120.006 120.500 -0.353 0.000 2.388 214 R HA 0.386 4.726 4.340 -0.000 0.000 0.247 214 R C 0.674 176.860 176.300 -0.191 0.000 0.931 214 R CA 0.380 56.305 56.100 -0.291 0.000 1.082 214 R CB -0.054 30.047 30.300 -0.331 0.000 1.135 214 R HN 0.595 nan 8.270 nan 0.000 0.525 215 G N 0.216 108.913 108.800 -0.171 0.000 2.685 215 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.387 215 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.387 215 G C 0.413 175.223 174.900 -0.149 0.000 1.324 215 G CA -0.386 44.643 45.100 -0.118 0.000 0.878 215 G HN 0.164 nan 8.290 nan 0.000 0.527 216 V N -1.670 118.122 119.914 -0.202 0.000 3.510 216 V HA 0.223 4.343 4.120 -0.000 0.000 0.270 216 V C 2.513 178.343 176.094 -0.441 0.000 1.201 216 V CA 2.166 64.192 62.300 -0.456 0.000 1.166 216 V CB -0.262 30.900 31.823 -1.102 0.000 0.825 216 V HN 0.854 nan 8.190 nan 0.000 0.484 217 R N 0.792 121.135 120.500 -0.262 0.000 2.091 217 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 217 R C 2.062 178.277 176.300 -0.141 0.000 1.136 217 R CA 2.175 58.142 56.100 -0.220 0.000 0.959 217 R CB -1.002 29.158 30.300 -0.233 0.000 0.856 217 R HN 0.426 nan 8.270 nan 0.000 0.437 218 V N 0.359 120.213 119.914 -0.101 0.000 2.407 218 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 218 V C 2.230 178.193 176.094 -0.219 0.000 1.055 218 V CA 1.892 64.141 62.300 -0.086 0.000 1.049 218 V CB -0.609 31.157 31.823 -0.095 0.000 0.662 218 V HN 0.561 nan 8.190 nan 0.000 0.455 219 A N -0.537 122.099 122.820 -0.306 0.000 1.873 219 A HA -0.262 4.058 4.320 -0.000 0.000 0.215 219 A C 2.255 179.379 177.584 -0.768 0.000 1.186 219 A CA 1.921 53.613 52.037 -0.576 0.000 0.616 219 A CB -0.530 18.310 19.000 -0.267 0.000 0.823 219 A HN 0.622 nan 8.150 nan 0.000 0.442 220 E N -0.075 119.902 120.200 -0.371 0.000 2.058 220 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 220 E C 2.119 178.625 176.600 -0.157 0.000 0.997 220 E CA 1.507 57.793 56.400 -0.190 0.000 0.801 220 E CB -0.138 29.604 29.700 0.070 0.000 0.746 220 E HN 0.525 nan 8.360 nan 0.000 0.450 221 S N 0.377 116.023 115.700 -0.091 0.000 2.382 221 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 221 S C 1.756 176.399 174.600 0.071 0.000 1.027 221 S CA 0.901 59.120 58.200 0.032 0.000 0.991 221 S CB -0.242 63.014 63.200 0.094 0.000 0.823 221 S HN 0.271 nan 8.310 nan 0.000 0.469 222 L N 0.569 121.753 121.223 -0.065 0.000 2.072 222 L HA 0.000 4.340 4.340 -0.000 0.000 0.205 222 L C 1.734 178.830 176.870 0.376 0.000 1.079 222 L CA 1.786 56.661 54.840 0.059 0.000 0.752 222 L CB -0.769 41.155 42.059 -0.226 0.000 0.906 222 L HN 0.246 nan 8.230 nan 0.000 0.436 223 Y N -0.172 120.166 120.300 0.064 0.000 2.439 223 Y HA 0.007 4.557 4.550 -0.000 0.000 0.292 223 Y C 2.414 178.485 175.900 0.285 0.000 1.130 223 Y CA 0.600 58.700 58.100 -0.000 0.000 1.254 223 Y CB -0.648 37.479 38.460 -0.555 0.000 1.000 223 Y HN 0.204 nan 8.280 nan 0.000 0.554 224 R N -0.888 119.840 120.500 0.380 0.000 2.317 224 R HA -0.005 4.335 4.340 -0.000 0.000 0.208 224 R C 0.429 176.955 176.300 0.377 0.000 0.914 224 R CA -0.114 56.221 56.100 0.393 0.000 1.060 224 R CB -0.106 30.365 30.300 0.284 0.000 1.015 224 R HN 0.217 nan 8.270 nan 0.000 0.498 225 H N 2.694 121.957 119.070 0.322 0.000 2.897 225 H HA 0.012 4.568 4.556 0.000 0.000 0.347 225 H C -1.444 173.929 175.328 0.074 0.000 1.068 225 H CA -1.173 54.962 56.048 0.145 0.000 1.426 225 H CB 1.427 31.227 29.762 0.063 0.000 1.410 225 H HN -0.059 nan 8.280 nan 0.000 0.597 226 P HA -0.158 nan 4.420 nan 0.000 0.225 226 P C 1.576 178.971 177.300 0.159 0.000 1.148 226 P CA 0.495 63.665 63.100 0.117 0.000 0.779 226 P CB 0.185 31.893 31.700 0.013 0.000 0.780 227 V N -0.845 119.161 119.914 0.153 0.000 2.392 227 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 227 V C 1.995 178.120 176.094 0.052 0.000 1.059 227 V CA 1.746 64.028 62.300 -0.029 0.000 1.051 227 V CB -1.203 30.313 31.823 -0.512 0.000 0.658 227 V HN 0.041 nan 8.190 nan 0.000 0.455 228 W N 0.064 121.610 121.300 0.411 0.000 2.354 228 W HA -0.137 4.523 4.660 -0.000 0.000 0.315 228 W C 2.925 179.680 176.519 0.393 0.000 1.206 228 W CA 1.273 58.884 57.345 0.442 0.000 1.290 228 W CB -0.957 28.694 29.460 0.319 0.000 1.152 228 W HN 0.099 nan 8.180 nan 0.000 0.489 229 S N -0.121 115.846 115.700 0.445 0.000 2.383 229 S HA -0.257 4.213 4.470 -0.000 0.000 0.227 229 S C 1.751 176.454 174.600 0.173 0.000 1.026 229 S CA 1.477 59.840 58.200 0.273 0.000 0.981 229 S CB -0.513 62.809 63.200 0.204 0.000 0.818 229 S HN 0.322 nan 8.310 nan 0.000 0.472 230 Q N -0.516 119.381 119.800 0.161 0.000 2.096 230 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 230 Q C 0.627 176.535 176.000 -0.153 0.000 0.982 230 Q CA 1.481 57.286 55.803 0.003 0.000 0.850 230 Q CB -0.053 28.707 28.738 0.038 0.000 0.901 230 Q HN 0.644 nan 8.270 nan 0.000 0.422 231 Y N -1.332 118.988 120.300 0.033 0.000 2.524 231 Y HA 0.292 4.842 4.550 -0.000 0.000 0.266 231 Y C 1.008 176.780 175.900 -0.212 0.000 1.180 231 Y CA 0.304 58.341 58.100 -0.105 0.000 1.244 231 Y CB 1.060 39.438 38.460 -0.137 0.000 1.125 231 Y HN 0.254 nan 8.280 nan 0.000 0.524 232 G N -0.706 108.114 108.800 0.033 0.000 2.176 232 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 232 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 232 G C 0.003 174.848 174.900 -0.092 0.000 1.024 232 G CA -0.125 44.943 45.100 -0.053 0.000 0.755 232 G HN 0.406 nan 8.290 nan 0.000 0.507 233 W N 0.000 121.419 121.300 0.199 0.000 2.388 233 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 233 W CA 0.000 57.435 57.345 0.151 0.000 1.226 233 W CB 0.000 29.670 29.460 0.350 0.000 1.126 233 W HN 0.000 nan 8.180 nan 0.000 0.535