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 1vrq_1_B DATA FIRST_RESID 1 DATA SEQUENCE ADLLPEHPEF LWNNPEPKKS YDVVIVGGGG HGLATAYYLA KNHGITNVAV DATA SEQUENCE LEKGWLAGGN MARNTTIIRS NYLWDESAGI YEKSLKLWEE LPEELEYDFL DATA SEQUENCE FSQRGVLNLA HTLGDVRESI RRVEANKFNG VDAEWLTPEQ VKEVCPIINT DATA SEQUENCE GDNIRYPVMG ATYQPRAGIA KHDHVAWAFA RKANEMGVDI IQNCEVTGFL DATA SEQUENCE KDGEKVTGVK TTRGTILAGK VALAGAGHSS VLAELAGFEL PIQSHPLQAL DATA SEQUENCE VSELFEPVHP TVVMSNHIHV YVSQAHKGEL VMGAGIDSYN GYGQRGAFHV DATA SEQUENCE IEEQMAAAVE LFPIFARAHV LRTWGGIVDT TMDASPIISK TPIQNLYVNC DATA SEQUENCE GWGTGGFKGT PGAGYTLAHT IAHDEPHKLN APFALERFET GHLIDEHGAA DATA SEQUENCE AV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.563 177.584 -0.036 0.000 1.274 1 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 1 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 2 D N 2.053 122.424 120.400 -0.048 0.000 2.473 2 D HA 0.474 5.114 4.640 -0.000 0.000 0.253 2 D C 0.561 176.828 176.300 -0.056 0.000 1.233 2 D CA -0.258 53.706 54.000 -0.061 0.000 0.908 2 D CB 1.406 42.151 40.800 -0.090 0.000 1.170 2 D HN 0.368 nan 8.370 nan 0.000 0.558 3 L N 1.895 123.091 121.223 -0.045 0.000 2.653 3 L HA 0.290 4.630 4.340 -0.000 0.000 0.231 3 L C 0.074 176.914 176.870 -0.050 0.000 1.153 3 L CA 0.074 54.891 54.840 -0.039 0.000 0.933 3 L CB -0.258 41.786 42.059 -0.026 0.000 1.175 3 L HN 0.220 nan 8.230 nan 0.000 0.473 4 L N 1.057 122.240 121.223 -0.068 0.000 2.421 4 L HA 0.365 4.705 4.340 -0.000 0.000 0.263 4 L C -1.845 174.950 176.870 -0.124 0.000 1.122 4 L CA -1.900 52.888 54.840 -0.087 0.000 0.804 4 L CB 0.270 42.274 42.059 -0.092 0.000 1.150 4 L HN -0.109 nan 8.230 nan 0.000 0.457 5 P HA 0.119 nan 4.420 nan 0.000 0.275 5 P C -0.638 176.426 177.300 -0.394 0.000 1.228 5 P CA -0.225 62.737 63.100 -0.230 0.000 0.786 5 P CB 1.265 32.827 31.700 -0.229 0.000 0.927 6 E N 0.216 120.245 120.200 -0.285 0.000 2.372 6 E HA 0.042 4.392 4.350 -0.000 0.000 0.201 6 E C 0.107 176.429 176.600 -0.464 0.000 0.938 6 E CA 0.327 56.516 56.400 -0.353 0.000 0.944 6 E CB 0.209 29.771 29.700 -0.230 0.000 0.937 6 E HN 0.565 nan 8.360 nan 0.000 0.495 7 H N 0.925 119.961 119.070 -0.056 0.000 2.488 7 H HA 0.262 4.818 4.556 -0.000 0.000 0.237 7 H C -2.432 172.871 175.328 -0.042 0.000 1.395 7 H CA -1.812 54.279 56.048 0.071 0.000 1.491 7 H CB 0.597 30.423 29.762 0.107 0.000 1.567 7 H HN 0.040 nan 8.280 nan 0.000 0.508 8 P HA -0.042 nan 4.420 nan 0.000 0.265 8 P C 1.171 178.468 177.300 -0.005 0.000 1.187 8 P CA 0.243 63.313 63.100 -0.050 0.000 0.766 8 P CB 1.458 33.124 31.700 -0.056 0.000 0.820 9 E N 1.021 121.234 120.200 0.021 0.000 2.347 9 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 9 E C -0.279 176.365 176.600 0.072 0.000 1.008 9 E CA 0.365 56.783 56.400 0.029 0.000 0.852 9 E CB 0.051 29.774 29.700 0.038 0.000 0.783 9 E HN 0.375 nan 8.360 nan 0.000 0.505 10 F N -0.327 119.570 119.950 -0.090 0.000 2.561 10 F HA 0.295 4.822 4.527 -0.000 0.000 0.313 10 F C -0.335 175.395 175.800 -0.117 0.000 1.126 10 F CA -0.783 57.148 58.000 -0.114 0.000 0.918 10 F CB 1.167 40.131 39.000 -0.060 0.000 1.199 10 F HN -0.241 nan 8.300 nan 0.000 0.444 11 L N 3.083 123.652 121.223 -1.089 0.000 2.541 11 L HA 0.355 4.695 4.340 -0.000 0.000 0.187 11 L C -0.966 175.429 176.870 -0.793 0.000 1.098 11 L CA 0.043 54.390 54.840 -0.821 0.000 0.846 11 L CB 0.414 41.839 42.059 -1.057 0.000 1.151 11 L HN 0.702 nan 8.230 nan 0.000 0.492 12 W N -1.682 119.044 121.300 -0.956 0.000 3.005 12 W HA 0.446 5.105 4.660 -0.000 0.000 0.343 12 W C -1.466 174.876 176.519 -0.295 0.000 1.243 12 W CA -1.122 55.912 57.345 -0.519 0.000 1.186 12 W CB 0.110 29.450 29.460 -0.200 0.000 1.453 12 W HN -0.299 nan 8.180 nan 0.000 0.575 13 N N 0.825 119.751 118.700 0.376 0.000 2.477 13 N HA 0.349 5.089 4.740 -0.000 0.000 0.284 13 N C -1.169 174.539 175.510 0.329 0.000 1.182 13 N CA -0.669 52.590 53.050 0.349 0.000 0.949 13 N CB 1.306 39.984 38.487 0.319 0.000 1.204 13 N HN 0.556 nan 8.380 nan 0.000 0.526 14 N N 0.732 119.575 118.700 0.238 0.000 2.886 14 N HA 0.237 4.976 4.740 -0.000 0.000 0.285 14 N C -2.373 173.208 175.510 0.119 0.000 1.706 14 N CA -0.818 52.335 53.050 0.173 0.000 0.904 14 N CB 0.917 39.507 38.487 0.172 0.000 1.224 14 N HN 0.402 nan 8.380 nan 0.000 0.488 15 P HA 0.222 nan 4.420 nan 0.000 0.276 15 P C -0.356 176.992 177.300 0.080 0.000 1.244 15 P CA -0.261 62.896 63.100 0.096 0.000 0.801 15 P CB 1.215 32.981 31.700 0.110 0.000 1.006 16 E N 1.779 122.023 120.200 0.072 0.000 2.390 16 E HA 0.183 4.533 4.350 -0.000 0.000 0.261 16 E C -1.799 174.854 176.600 0.088 0.000 1.076 16 E CA -1.518 54.921 56.400 0.064 0.000 0.905 16 E CB -0.426 29.304 29.700 0.050 0.000 0.984 16 E HN 0.433 nan 8.360 nan 0.000 0.427 17 P HA 0.071 nan 4.420 nan 0.000 0.271 17 P C -0.368 177.019 177.300 0.145 0.000 1.216 17 P CA 0.111 63.302 63.100 0.152 0.000 0.776 17 P CB 0.926 32.692 31.700 0.109 0.000 0.881 18 K N 1.408 121.930 120.400 0.203 0.000 2.098 18 K HA 0.139 4.459 4.320 -0.000 0.000 0.244 18 K C 1.501 178.056 176.600 -0.074 0.000 1.014 18 K CA -0.678 55.576 56.287 -0.055 0.000 0.917 18 K CB 0.803 33.071 32.500 -0.388 0.000 1.072 18 K HN 0.361 nan 8.250 nan 0.000 0.477 19 K N 0.452 120.779 120.400 -0.121 0.000 2.097 19 K HA -0.115 4.204 4.320 -0.000 0.000 0.206 19 K C 0.214 176.763 176.600 -0.085 0.000 1.049 19 K CA 1.447 57.689 56.287 -0.075 0.000 0.933 19 K CB 0.167 32.624 32.500 -0.070 0.000 0.717 19 K HN 0.627 nan 8.250 nan 0.000 0.442 20 S N -2.290 113.273 115.700 -0.227 0.000 2.615 20 S HA 0.502 4.972 4.470 -0.000 0.000 0.269 20 S C -1.435 172.912 174.600 -0.423 0.000 1.161 20 S CA -1.118 56.986 58.200 -0.161 0.000 0.817 20 S CB 1.044 64.201 63.200 -0.072 0.000 1.131 20 S HN 0.133 nan 8.310 nan 0.000 0.467 21 Y N -0.205 120.104 120.300 0.015 0.000 2.571 21 Y HA 0.407 4.957 4.550 -0.000 0.000 0.341 21 Y C 0.283 176.195 175.900 0.021 0.000 1.076 21 Y CA -0.981 57.130 58.100 0.017 0.000 1.029 21 Y CB 1.421 39.892 38.460 0.018 0.000 1.308 21 Y HN 0.638 nan 8.280 nan 0.000 0.461 22 D N 0.518 121.022 120.400 0.173 0.000 2.178 22 D HA 0.020 4.660 4.640 -0.000 0.000 0.202 22 D C -0.263 176.107 176.300 0.116 0.000 0.974 22 D CA 1.411 55.475 54.000 0.108 0.000 0.841 22 D CB 0.442 41.284 40.800 0.071 0.000 0.953 22 D HN 0.097 nan 8.370 nan 0.000 0.478 23 V N 1.016 121.011 119.914 0.134 0.000 2.668 23 V HA 0.260 4.380 4.120 -0.000 0.000 0.304 23 V C -0.356 175.777 176.094 0.066 0.000 1.071 23 V CA -0.821 61.538 62.300 0.099 0.000 0.894 23 V CB 2.874 34.735 31.823 0.063 0.000 1.008 23 V HN -0.309 nan 8.190 nan 0.000 0.425 24 V N 6.160 126.114 119.914 0.067 0.000 2.384 24 V HA 0.525 4.644 4.120 -0.000 0.000 0.287 24 V C -0.208 175.902 176.094 0.025 0.000 1.020 24 V CA -0.363 61.938 62.300 0.003 0.000 0.850 24 V CB 1.774 33.616 31.823 0.033 0.000 0.987 24 V HN 0.700 nan 8.190 nan 0.000 0.436 25 I N 5.363 125.918 120.570 -0.025 0.000 2.339 25 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 25 I C -0.326 175.784 176.117 -0.010 0.000 0.994 25 I CA -0.718 60.584 61.300 0.004 0.000 1.191 25 I CB 1.838 39.826 38.000 -0.020 0.000 1.343 25 I HN 0.260 nan 8.210 nan 0.000 0.458 26 V N 5.785 125.723 119.914 0.040 0.000 2.334 26 V HA 0.728 4.847 4.120 -0.000 0.000 0.267 26 V C 0.516 176.616 176.094 0.010 0.000 1.040 26 V CA -0.335 61.979 62.300 0.023 0.000 0.866 26 V CB 0.355 32.231 31.823 0.089 0.000 1.019 26 V HN 1.058 nan 8.190 nan 0.000 0.468 27 G N 3.307 112.080 108.800 -0.044 0.000 3.162 27 G HA2 0.230 4.190 3.960 -0.000 0.000 0.599 27 G HA3 0.230 4.190 3.960 -0.000 0.000 0.599 27 G C 0.059 174.901 174.900 -0.097 0.000 1.335 27 G CA -0.489 44.572 45.100 -0.064 0.000 1.091 27 G HN 1.052 nan 8.290 nan 0.000 0.570 28 G N 0.562 109.279 108.800 -0.137 0.000 3.591 28 G HA2 0.615 4.575 3.960 -0.000 0.000 0.282 28 G HA3 0.615 4.575 3.960 -0.000 0.000 0.282 28 G C 0.931 175.731 174.900 -0.166 0.000 1.238 28 G CA 0.929 45.932 45.100 -0.161 0.000 0.993 28 G HN 1.160 nan 8.290 nan 0.000 0.542 29 G N -0.314 108.396 108.800 -0.150 0.000 2.509 29 G HA2 0.422 4.382 3.960 -0.000 0.000 0.269 29 G HA3 0.422 4.382 3.960 -0.000 0.000 0.269 29 G C 1.319 176.138 174.900 -0.134 0.000 1.416 29 G CA 0.143 45.149 45.100 -0.158 0.000 1.052 29 G HN 0.219 nan 8.290 nan 0.000 0.542 30 G N -1.583 107.147 108.800 -0.117 0.000 2.418 30 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.217 30 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.217 30 G C 1.424 176.238 174.900 -0.142 0.000 1.158 30 G CA 1.138 46.179 45.100 -0.097 0.000 0.771 30 G HN 0.707 nan 8.290 nan 0.000 0.545 31 H N 0.009 118.904 119.070 -0.293 0.000 2.363 31 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 31 H C 2.965 178.153 175.328 -0.233 0.000 1.074 31 H CA 0.314 56.176 56.048 -0.310 0.000 1.354 31 H CB 0.004 29.601 29.762 -0.276 0.000 1.397 31 H HN 0.416 nan 8.280 nan 0.000 0.516 32 G N 1.126 109.900 108.800 -0.042 0.000 2.421 32 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 32 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 32 G C 1.724 176.557 174.900 -0.113 0.000 1.171 32 G CA 0.562 45.624 45.100 -0.063 0.000 0.775 32 G HN 0.181 nan 8.290 nan 0.000 0.543 33 L N 0.645 121.771 121.223 -0.163 0.000 2.056 33 L HA -0.015 4.324 4.340 -0.000 0.000 0.207 33 L C 3.423 180.123 176.870 -0.283 0.000 1.078 33 L CA 0.985 55.723 54.840 -0.169 0.000 0.749 33 L CB -0.440 41.537 42.059 -0.135 0.000 0.901 33 L HN 0.297 nan 8.230 nan 0.000 0.433 34 A N -0.353 122.101 122.820 -0.610 0.000 1.933 34 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 34 A C 2.364 179.834 177.584 -0.189 0.000 1.175 34 A CA 2.365 53.859 52.037 -0.905 0.000 0.628 34 A CB -0.930 17.434 19.000 -1.059 0.000 0.814 34 A HN 0.397 nan 8.150 nan 0.000 0.444 35 T N 0.239 114.725 114.554 -0.114 0.000 2.746 35 T HA -0.013 4.337 4.350 -0.000 0.000 0.267 35 T C 2.200 176.922 174.700 0.037 0.000 1.039 35 T CA 1.519 63.625 62.100 0.010 0.000 1.142 35 T CB -0.408 68.454 68.868 -0.011 0.000 0.866 35 T HN 0.604 nan 8.240 nan 0.000 0.444 36 A N 0.529 123.349 122.820 -0.000 0.000 1.898 36 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 36 A C 2.075 179.686 177.584 0.044 0.000 1.181 36 A CA 1.468 53.516 52.037 0.017 0.000 0.620 36 A CB -0.968 18.032 19.000 -0.000 0.000 0.819 36 A HN 0.580 nan 8.150 nan 0.000 0.442 37 Y N -0.643 119.615 120.300 -0.070 0.000 2.114 37 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 37 Y C 2.078 177.892 175.900 -0.143 0.000 1.143 37 Y CA 2.034 60.075 58.100 -0.100 0.000 1.135 37 Y CB -0.645 37.764 38.460 -0.084 0.000 0.980 37 Y HN 0.360 nan 8.280 nan 0.000 0.499 38 Y N -0.867 119.388 120.300 -0.074 0.000 2.509 38 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 38 Y C 2.139 177.927 175.900 -0.187 0.000 1.133 38 Y CA 0.698 58.673 58.100 -0.209 0.000 1.283 38 Y CB -0.527 37.890 38.460 -0.073 0.000 1.001 38 Y HN 0.224 nan 8.280 nan 0.000 0.555 39 L N -0.472 120.781 121.223 0.051 0.000 2.109 39 L HA -0.067 4.272 4.340 -0.000 0.000 0.207 39 L C 2.264 179.146 176.870 0.020 0.000 1.086 39 L CA 1.833 56.733 54.840 0.100 0.000 0.760 39 L CB -0.865 41.230 42.059 0.060 0.000 0.910 39 L HN 0.140 nan 8.230 nan 0.000 0.437 40 A N -1.862 120.914 122.820 -0.073 0.000 2.044 40 A HA -0.041 4.278 4.320 -0.000 0.000 0.213 40 A C 2.234 179.716 177.584 -0.170 0.000 1.169 40 A CA 0.890 52.874 52.037 -0.089 0.000 0.724 40 A CB -0.179 18.779 19.000 -0.070 0.000 0.840 40 A HN 0.269 nan 8.150 nan 0.000 0.463 41 K N 0.521 120.731 120.400 -0.317 0.000 2.044 41 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 41 K C 1.181 177.634 176.600 -0.245 0.000 1.049 41 K CA 1.734 57.807 56.287 -0.357 0.000 0.945 41 K CB -0.075 32.003 32.500 -0.704 0.000 0.724 41 K HN 0.382 nan 8.250 nan 0.000 0.440 42 N N -0.692 117.812 118.700 -0.326 0.000 2.388 42 N HA 0.004 4.743 4.740 -0.000 0.000 0.176 42 N C 0.345 175.489 175.510 -0.611 0.000 1.062 42 N CA 0.675 53.432 53.050 -0.488 0.000 0.895 42 N CB 0.397 38.446 38.487 -0.731 0.000 1.018 42 N HN 0.308 nan 8.380 nan 0.000 0.456 43 H N -1.327 117.704 119.070 -0.063 0.000 2.923 43 H HA 0.325 4.881 4.556 -0.000 0.000 0.268 43 H C 0.876 176.166 175.328 -0.065 0.000 1.148 43 H CA 0.321 56.327 56.048 -0.070 0.000 1.146 43 H CB 0.542 30.250 29.762 -0.090 0.000 1.607 43 H HN 0.142 nan 8.280 nan 0.000 0.566 44 G N 2.014 110.813 108.800 -0.002 0.000 2.233 44 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.270 44 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.270 44 G C 0.245 175.151 174.900 0.011 0.000 1.011 44 G CA 0.311 45.408 45.100 -0.005 0.000 0.762 44 G HN 0.410 nan 8.290 nan 0.000 0.511 45 I N 0.890 121.477 120.570 0.029 0.000 2.291 45 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 45 I C 1.400 177.532 176.117 0.026 0.000 1.064 45 I CA 0.438 61.755 61.300 0.028 0.000 1.269 45 I CB 1.422 39.442 38.000 0.034 0.000 1.418 45 I HN 0.147 nan 8.210 nan 0.000 0.485 46 T N 3.300 117.873 114.554 0.032 0.000 2.990 46 T HA 0.039 4.389 4.350 -0.000 0.000 0.249 46 T C 1.026 175.771 174.700 0.075 0.000 1.039 46 T CA 0.134 62.259 62.100 0.043 0.000 1.036 46 T CB -0.005 68.886 68.868 0.038 0.000 0.994 46 T HN 0.418 nan 8.240 nan 0.000 0.489 47 N N 2.326 121.078 118.700 0.086 0.000 2.971 47 N HA 0.209 4.949 4.740 -0.000 0.000 0.294 47 N C -1.092 174.535 175.510 0.194 0.000 1.210 47 N CA 0.116 53.253 53.050 0.144 0.000 1.157 47 N CB -0.388 38.160 38.487 0.100 0.000 1.450 47 N HN 0.189 nan 8.380 nan 0.000 0.527 48 V N 0.192 120.204 119.914 0.163 0.000 2.962 48 V HA 0.895 5.015 4.120 -0.000 0.000 0.313 48 V C -0.276 175.719 176.094 -0.165 0.000 1.099 48 V CA -1.256 61.071 62.300 0.044 0.000 0.971 48 V CB 1.695 33.524 31.823 0.011 0.000 1.028 48 V HN 0.444 nan 8.190 nan 0.000 0.430 49 A N 1.955 124.532 122.820 -0.405 0.000 2.414 49 A HA 0.887 5.207 4.320 -0.000 0.000 0.306 49 A C -1.277 176.112 177.584 -0.325 0.000 1.054 49 A CA -0.588 51.073 52.037 -0.626 0.000 0.724 49 A CB 1.991 20.125 19.000 -1.443 0.000 1.267 49 A HN 0.743 nan 8.150 nan 0.000 0.418 50 V N 3.230 122.995 119.914 -0.248 0.000 2.384 50 V HA 0.407 4.527 4.120 -0.000 0.000 0.287 50 V C -0.428 175.562 176.094 -0.173 0.000 1.020 50 V CA -0.245 61.951 62.300 -0.173 0.000 0.850 50 V CB 1.106 32.839 31.823 -0.149 0.000 0.987 50 V HN 0.726 nan 8.190 nan 0.000 0.436 51 L N 4.183 125.321 121.223 -0.143 0.000 2.296 51 L HA 0.719 5.059 4.340 -0.000 0.000 0.286 51 L C -0.312 176.485 176.870 -0.122 0.000 1.023 51 L CA -0.463 54.300 54.840 -0.128 0.000 0.812 51 L CB 1.672 43.664 42.059 -0.111 0.000 1.223 51 L HN 0.577 nan 8.230 nan 0.000 0.421 52 E N 2.694 122.818 120.200 -0.127 0.000 2.218 52 E HA 0.197 4.546 4.350 -0.000 0.000 0.263 52 E C 0.354 176.885 176.600 -0.114 0.000 0.879 52 E CA -0.773 55.545 56.400 -0.136 0.000 0.762 52 E CB 1.579 31.183 29.700 -0.160 0.000 1.166 52 E HN 0.537 nan 8.360 nan 0.000 0.415 53 K N 2.438 122.762 120.400 -0.128 0.000 2.148 53 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 53 K C 0.899 177.458 176.600 -0.069 0.000 1.050 53 K CA 1.196 57.419 56.287 -0.106 0.000 0.942 53 K CB 0.143 32.558 32.500 -0.141 0.000 0.724 53 K HN 0.359 nan 8.250 nan 0.000 0.446 54 G N 1.111 109.858 108.800 -0.088 0.000 3.341 54 G HA2 0.257 4.217 3.960 -0.000 0.000 0.177 54 G HA3 0.257 4.217 3.960 -0.000 0.000 0.177 54 G C -1.026 173.914 174.900 0.067 0.000 1.236 54 G CA -0.599 44.504 45.100 0.003 0.000 0.888 54 G HN 0.355 nan 8.290 nan 0.000 0.644 55 W N 0.415 121.703 121.300 -0.019 0.000 2.315 55 W HA 0.636 5.296 4.660 -0.000 0.000 0.316 55 W C -0.597 175.909 176.519 -0.022 0.000 1.211 55 W CA -1.921 55.423 57.345 -0.003 0.000 1.201 55 W CB 0.289 29.772 29.460 0.039 0.000 1.184 55 W HN 0.206 nan 8.180 nan 0.000 0.544 56 L N 4.273 125.545 121.223 0.081 0.000 2.578 56 L HA 0.163 4.503 4.340 -0.000 0.000 0.279 56 L C 1.339 178.186 176.870 -0.038 0.000 1.227 56 L CA 1.810 56.590 54.840 -0.100 0.000 0.900 56 L CB 0.255 42.125 42.059 -0.314 0.000 1.144 56 L HN 0.936 nan 8.230 nan 0.000 0.496 57 A N 3.060 125.772 122.820 -0.179 0.000 2.826 57 A HA -0.204 4.115 4.320 -0.000 0.000 0.274 57 A C 1.400 178.716 177.584 -0.447 0.000 1.443 57 A CA 1.153 53.073 52.037 -0.196 0.000 0.833 57 A CB -2.363 16.632 19.000 -0.009 0.000 1.023 57 A HN 1.281 nan 8.150 nan 0.000 0.600 58 G N -1.077 107.151 108.800 -0.954 0.000 2.985 58 G HA2 0.431 4.391 3.960 -0.000 0.000 0.209 58 G HA3 0.431 4.391 3.960 -0.000 0.000 0.209 58 G C 0.945 175.300 174.900 -0.908 0.000 1.165 58 G CA 1.092 45.037 45.100 -1.925 0.000 0.776 58 G HN 1.329 nan 8.290 nan 0.000 0.541 59 G N 0.797 109.282 108.800 -0.526 0.000 2.873 59 G HA2 0.085 4.045 3.960 -0.000 0.000 0.170 59 G HA3 0.085 4.045 3.960 -0.000 0.000 0.170 59 G C 1.086 175.868 174.900 -0.196 0.000 1.608 59 G CA -0.119 44.816 45.100 -0.275 0.000 1.084 59 G HN 0.122 nan 8.290 nan 0.000 0.563 60 N N -0.507 118.120 118.700 -0.121 0.000 2.364 60 N HA -0.102 4.637 4.740 -0.000 0.000 0.183 60 N C 1.957 177.387 175.510 -0.133 0.000 1.022 60 N CA 0.694 53.696 53.050 -0.080 0.000 0.883 60 N CB -0.312 38.149 38.487 -0.044 0.000 0.965 60 N HN 0.270 nan 8.380 nan 0.000 0.438 61 M N 0.743 120.237 119.600 -0.177 0.000 2.267 61 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 61 M C 1.280 177.312 176.300 -0.447 0.000 1.063 61 M CA 0.956 56.146 55.300 -0.184 0.000 1.090 61 M CB -0.167 32.343 32.600 -0.150 0.000 1.392 61 M HN 0.140 nan 8.290 nan 0.000 0.422 62 A N -1.300 121.226 122.820 -0.490 0.000 2.430 62 A HA 0.285 4.605 4.320 -0.000 0.000 0.243 62 A C 1.573 178.810 177.584 -0.578 0.000 1.254 62 A CA -0.169 51.415 52.037 -0.755 0.000 0.914 62 A CB -0.171 18.632 19.000 -0.328 0.000 0.998 62 A HN 0.543 nan 8.150 nan 0.000 0.515 63 R N 0.007 120.349 120.500 -0.263 0.000 2.531 63 R HA 0.110 4.450 4.340 -0.000 0.000 0.316 63 R C -0.113 176.419 176.300 0.387 0.000 0.955 63 R CA 0.203 56.398 56.100 0.158 0.000 1.120 63 R CB 0.189 30.637 30.300 0.247 0.000 1.361 63 R HN 0.674 nan 8.270 nan 0.000 0.534 64 N N -0.270 118.511 118.700 0.136 0.000 2.408 64 N HA -0.001 4.739 4.740 -0.000 0.000 0.260 64 N C 0.651 176.242 175.510 0.135 0.000 1.242 64 N CA -0.255 52.850 53.050 0.092 0.000 0.959 64 N CB 0.651 39.075 38.487 -0.105 0.000 1.201 64 N HN -0.116 nan 8.380 nan 0.000 0.511 65 T N -4.823 109.769 114.554 0.063 0.000 3.219 65 T HA 0.026 4.375 4.350 -0.000 0.000 0.249 65 T C 0.848 175.536 174.700 -0.020 0.000 1.099 65 T CA 0.168 62.307 62.100 0.066 0.000 0.988 65 T CB -1.476 67.439 68.868 0.079 0.000 0.999 65 T HN 1.043 nan 8.240 nan 0.000 0.550 66 T N -0.322 114.112 114.554 -0.199 0.000 6.387 66 T HA -0.241 4.109 4.350 -0.000 0.000 0.290 66 T C 0.153 174.947 174.700 0.157 0.000 1.901 66 T CA 0.736 62.695 62.100 -0.235 0.000 3.035 66 T CB -2.805 65.962 68.868 -0.169 0.000 1.917 66 T HN 0.709 nan 8.240 nan 0.000 1.121 67 I N 1.438 122.101 120.570 0.154 0.000 2.533 67 I HA 0.407 4.577 4.170 -0.000 0.000 0.284 67 I C 0.834 177.060 176.117 0.182 0.000 1.109 67 I CA -0.103 61.283 61.300 0.143 0.000 1.412 67 I CB 0.509 38.569 38.000 0.099 0.000 1.396 67 I HN 0.328 nan 8.210 nan 0.000 0.543 68 I N 7.882 128.489 120.570 0.062 0.000 2.436 68 I HA 0.543 4.713 4.170 -0.000 0.000 0.289 68 I C -0.079 176.039 176.117 0.002 0.000 1.010 68 I CA -0.527 60.745 61.300 -0.045 0.000 1.098 68 I CB 1.328 39.108 38.000 -0.368 0.000 1.266 68 I HN 0.691 nan 8.210 nan 0.000 0.434 69 R N 2.694 123.232 120.500 0.062 0.000 2.752 69 R HA 0.556 4.895 4.340 -0.000 0.000 0.277 69 R C -0.864 175.528 176.300 0.154 0.000 1.024 69 R CA -0.705 55.438 56.100 0.072 0.000 0.866 69 R CB 1.319 31.632 30.300 0.021 0.000 1.278 69 R HN 0.475 nan 8.270 nan 0.000 0.473 70 S N -1.164 114.629 115.700 0.154 0.000 3.053 70 S HA 0.043 4.513 4.470 -0.000 0.000 0.255 70 S C -0.247 174.504 174.600 0.252 0.000 0.976 70 S CA -0.584 57.772 58.200 0.261 0.000 1.159 70 S CB -0.328 63.021 63.200 0.250 0.000 1.110 70 S HN 0.681 nan 8.310 nan 0.000 0.633 71 N N 1.721 120.480 118.700 0.097 0.000 3.254 71 N HA 0.111 4.851 4.740 -0.000 0.000 0.308 71 N C -0.992 174.451 175.510 -0.112 0.000 1.281 71 N CA -0.176 52.875 53.050 0.002 0.000 1.212 71 N CB -0.616 37.834 38.487 -0.061 0.000 1.478 71 N HN 0.489 nan 8.380 nan 0.000 0.548 72 Y N -0.194 120.091 120.300 -0.025 0.000 2.419 72 Y HA 0.178 4.728 4.550 -0.000 0.000 0.328 72 Y C 1.355 177.247 175.900 -0.014 0.000 1.162 72 Y CA -1.097 56.991 58.100 -0.020 0.000 1.174 72 Y CB 1.479 39.965 38.460 0.043 0.000 1.228 72 Y HN 0.065 nan 8.280 nan 0.000 0.473 73 L N 1.277 122.511 121.223 0.018 0.000 1.988 73 L HA 0.029 4.368 4.340 -0.000 0.000 0.207 73 L C 0.048 176.829 176.870 -0.148 0.000 1.071 73 L CA 1.206 55.922 54.840 -0.206 0.000 0.744 73 L CB -0.364 41.367 42.059 -0.546 0.000 0.893 73 L HN 0.576 nan 8.230 nan 0.000 0.433 74 W N 1.152 122.553 121.300 0.170 0.000 2.158 74 W HA 0.075 4.735 4.660 -0.001 0.000 0.339 74 W C 1.669 178.274 176.519 0.144 0.000 1.294 74 W CA -0.553 56.870 57.345 0.130 0.000 1.231 74 W CB 0.304 29.825 29.460 0.102 0.000 1.143 74 W HN 0.163 nan 8.180 nan 0.000 0.571 75 D N 1.756 122.400 120.400 0.407 0.000 2.123 75 D HA -0.199 4.440 4.640 -0.000 0.000 0.196 75 D C 1.569 178.003 176.300 0.223 0.000 0.992 75 D CA 1.681 55.836 54.000 0.257 0.000 0.833 75 D CB -0.148 40.768 40.800 0.193 0.000 0.954 75 D HN 0.515 nan 8.370 nan 0.000 0.455 76 E N 0.652 120.970 120.200 0.196 0.000 2.077 76 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 76 E C 2.274 179.077 176.600 0.338 0.000 0.989 76 E CA 0.934 57.403 56.400 0.115 0.000 0.800 76 E CB -0.134 29.453 29.700 -0.189 0.000 0.746 76 E HN 0.069 nan 8.360 nan 0.000 0.452 77 S N 0.579 116.542 115.700 0.439 0.000 2.345 77 S HA -0.135 4.335 4.470 -0.000 0.000 0.220 77 S C 2.165 177.010 174.600 0.408 0.000 1.031 77 S CA 0.956 59.437 58.200 0.468 0.000 0.996 77 S CB -0.469 63.030 63.200 0.499 0.000 0.882 77 S HN 0.412 nan 8.310 nan 0.000 0.445 78 A N 1.599 124.641 122.820 0.371 0.000 1.978 78 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 78 A C 2.263 179.986 177.584 0.232 0.000 1.170 78 A CA 1.830 54.053 52.037 0.310 0.000 0.636 78 A CB -1.437 17.710 19.000 0.245 0.000 0.810 78 A HN 0.524 nan 8.150 nan 0.000 0.448 79 G N -0.255 108.665 108.800 0.201 0.000 2.433 79 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 79 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 79 G C 1.590 176.540 174.900 0.083 0.000 1.186 79 G CA 1.085 46.265 45.100 0.135 0.000 0.779 79 G HN 0.519 nan 8.290 nan 0.000 0.543 80 I N -1.325 119.284 120.570 0.065 0.000 2.500 80 I HA 0.019 4.189 4.170 -0.000 0.000 0.252 80 I C 2.362 178.398 176.117 -0.134 0.000 1.142 80 I CA 0.706 61.956 61.300 -0.084 0.000 1.451 80 I CB 0.151 38.050 38.000 -0.168 0.000 1.093 80 I HN 0.192 nan 8.210 nan 0.000 0.430 81 Y N 0.770 121.075 120.300 0.009 0.000 2.220 81 Y HA -0.225 4.324 4.550 -0.000 0.000 0.291 81 Y C 2.505 178.444 175.900 0.065 0.000 1.129 81 Y CA 1.600 59.714 58.100 0.024 0.000 1.161 81 Y CB -0.541 37.912 38.460 -0.012 0.000 0.997 81 Y HN 0.211 nan 8.280 nan 0.000 0.522 82 E N 1.005 121.339 120.200 0.224 0.000 2.077 82 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 82 E C 2.073 178.717 176.600 0.072 0.000 0.989 82 E CA 1.505 57.996 56.400 0.152 0.000 0.800 82 E CB -0.114 29.663 29.700 0.129 0.000 0.746 82 E HN 0.163 nan 8.360 nan 0.000 0.452 83 K N 0.147 120.546 120.400 -0.002 0.000 2.032 83 K HA -0.081 4.238 4.320 -0.000 0.000 0.209 83 K C 2.277 178.785 176.600 -0.153 0.000 1.048 83 K CA 1.844 58.055 56.287 -0.126 0.000 0.927 83 K CB -1.037 31.323 32.500 -0.234 0.000 0.712 83 K HN 0.106 nan 8.250 nan 0.000 0.441 84 S N -0.316 115.321 115.700 -0.105 0.000 2.370 84 S HA -0.120 4.350 4.470 -0.000 0.000 0.226 84 S C 1.792 176.458 174.600 0.109 0.000 1.033 84 S CA 1.294 59.437 58.200 -0.096 0.000 1.011 84 S CB -0.488 62.693 63.200 -0.032 0.000 0.852 84 S HN 0.384 nan 8.310 nan 0.000 0.457 85 L N 1.778 123.148 121.223 0.246 0.000 2.083 85 L HA 0.020 4.360 4.340 -0.000 0.000 0.209 85 L C 2.180 179.187 176.870 0.227 0.000 1.083 85 L CA 1.881 56.923 54.840 0.337 0.000 0.752 85 L CB -0.708 41.497 42.059 0.243 0.000 0.899 85 L HN 0.217 nan 8.230 nan 0.000 0.433 86 K N -0.824 119.641 120.400 0.108 0.000 2.097 86 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 86 K C 2.056 178.681 176.600 0.041 0.000 1.049 86 K CA 1.476 57.804 56.287 0.069 0.000 0.933 86 K CB -0.253 32.256 32.500 0.014 0.000 0.717 86 K HN 0.364 nan 8.250 nan 0.000 0.442 87 L N -1.069 120.134 121.223 -0.033 0.000 2.093 87 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 87 L C 2.164 178.996 176.870 -0.064 0.000 1.085 87 L CA 1.114 55.913 54.840 -0.068 0.000 0.755 87 L CB -0.398 41.562 42.059 -0.165 0.000 0.904 87 L HN 0.302 nan 8.230 nan 0.000 0.435 88 W N 0.991 122.187 121.300 -0.173 0.000 2.335 88 W HA -0.220 4.439 4.660 -0.000 0.000 0.311 88 W C 2.517 178.779 176.519 -0.427 0.000 1.213 88 W CA 1.161 58.245 57.345 -0.436 0.000 1.274 88 W CB -0.131 28.942 29.460 -0.645 0.000 1.148 88 W HN 0.131 nan 8.180 nan 0.000 0.498 89 E N -0.324 119.963 120.200 0.145 0.000 2.267 89 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 89 E C 1.521 178.229 176.600 0.181 0.000 0.998 89 E CA 1.009 57.581 56.400 0.287 0.000 0.830 89 E CB -0.122 29.739 29.700 0.269 0.000 0.751 89 E HN 0.348 nan 8.360 nan 0.000 0.491 90 E N -0.242 120.020 120.200 0.104 0.000 2.490 90 E HA 0.022 4.372 4.350 -0.000 0.000 0.209 90 E C 1.728 178.358 176.600 0.048 0.000 0.971 90 E CA -0.089 56.358 56.400 0.078 0.000 0.988 90 E CB 0.206 29.949 29.700 0.073 0.000 1.029 90 E HN 0.125 nan 8.360 nan 0.000 0.496 91 L N 1.931 123.174 121.223 0.033 0.000 2.042 91 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 91 L C -0.883 176.005 176.870 0.030 0.000 1.076 91 L CA 2.086 56.923 54.840 -0.005 0.000 0.749 91 L CB -1.171 40.858 42.059 -0.050 0.000 0.893 91 L HN 0.029 nan 8.230 nan 0.000 0.432 92 P HA -0.176 nan 4.420 nan 0.000 0.215 92 P C 1.371 178.602 177.300 -0.116 0.000 1.157 92 P CA 1.442 64.365 63.100 -0.294 0.000 0.874 92 P CB 0.008 31.510 31.700 -0.330 0.000 0.790 93 E N -0.591 119.581 120.200 -0.046 0.000 2.046 93 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 93 E C 1.991 178.593 176.600 0.003 0.000 0.982 93 E CA 0.924 57.316 56.400 -0.014 0.000 0.800 93 E CB -0.764 28.941 29.700 0.008 0.000 0.756 93 E HN 0.319 nan 8.360 nan 0.000 0.449 94 E N 0.643 120.848 120.200 0.008 0.000 2.130 94 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 94 E C 2.081 178.678 176.600 -0.005 0.000 0.998 94 E CA 0.810 57.226 56.400 0.028 0.000 0.806 94 E CB -0.092 29.634 29.700 0.042 0.000 0.738 94 E HN 0.299 nan 8.360 nan 0.000 0.459 95 L N 0.213 121.390 121.223 -0.077 0.000 2.607 95 L HA 0.097 4.437 4.340 -0.000 0.000 0.228 95 L C 0.002 176.903 176.870 0.051 0.000 1.123 95 L CA -0.029 54.757 54.840 -0.090 0.000 0.890 95 L CB -0.232 41.683 42.059 -0.239 0.000 1.103 95 L HN -0.004 nan 8.230 nan 0.000 0.468 96 E N -0.215 120.008 120.200 0.038 0.000 2.269 96 E HA -0.284 4.066 4.350 -0.000 0.000 0.223 96 E C -0.496 176.156 176.600 0.087 0.000 1.244 96 E CA 0.577 57.002 56.400 0.041 0.000 0.713 96 E CB -1.551 28.176 29.700 0.045 0.000 1.178 96 E HN 0.508 nan 8.360 nan 0.000 0.370 97 Y N 0.106 120.358 120.300 -0.081 0.000 2.401 97 Y HA 0.222 4.772 4.550 -0.000 0.000 0.330 97 Y C -0.905 174.831 175.900 -0.274 0.000 1.071 97 Y CA -1.312 56.751 58.100 -0.060 0.000 1.049 97 Y CB 1.568 40.087 38.460 0.098 0.000 1.239 97 Y HN -0.006 nan 8.280 nan 0.000 0.437 98 D N 5.760 126.192 120.400 0.053 0.000 2.500 98 D HA 0.121 4.761 4.640 -0.000 0.000 0.219 98 D C -0.396 175.915 176.300 0.019 0.000 1.137 98 D CA -0.443 53.473 54.000 -0.140 0.000 0.946 98 D CB -0.224 40.491 40.800 -0.142 0.000 1.022 98 D HN 0.391 nan 8.370 nan 0.000 0.518 99 F N 2.162 122.249 119.950 0.228 0.000 2.777 99 F HA 0.350 4.877 4.527 -0.000 0.000 0.291 99 F C 0.732 176.588 175.800 0.093 0.000 1.187 99 F CA -1.068 57.011 58.000 0.132 0.000 1.406 99 F CB -0.645 38.399 39.000 0.074 0.000 0.982 99 F HN 0.151 nan 8.300 nan 0.000 0.509 100 L N 1.143 122.408 121.223 0.069 0.000 3.795 100 L HA -0.299 4.040 4.340 -0.000 0.000 0.489 100 L C -0.168 176.822 176.870 0.200 0.000 1.259 100 L CA 0.016 54.883 54.840 0.044 0.000 0.765 100 L CB -1.328 40.712 42.059 -0.032 0.000 1.519 100 L HN 0.413 nan 8.230 nan 0.000 0.842 101 F N 1.610 121.619 119.950 0.097 0.000 2.502 101 F HA 0.343 4.870 4.527 -0.000 0.000 0.371 101 F C 0.684 176.503 175.800 0.030 0.000 1.083 101 F CA 0.068 58.158 58.000 0.151 0.000 1.174 101 F CB 1.120 40.281 39.000 0.269 0.000 1.096 101 F HN 0.102 nan 8.300 nan 0.000 0.545 102 S N 6.265 121.714 115.700 -0.418 0.000 2.640 102 S HA 0.310 4.780 4.470 -0.000 0.000 0.320 102 S C -0.582 173.683 174.600 -0.559 0.000 1.097 102 S CA -0.661 57.285 58.200 -0.423 0.000 1.092 102 S CB 0.489 63.588 63.200 -0.167 0.000 0.988 102 S HN 0.753 nan 8.310 nan 0.000 0.470 103 Q N 3.907 123.349 119.800 -0.598 0.000 2.844 103 Q HA 0.186 4.526 4.340 -0.000 0.000 0.235 103 Q C 1.056 176.925 176.000 -0.219 0.000 1.336 103 Q CA -0.255 55.289 55.803 -0.431 0.000 1.026 103 Q CB 0.251 28.764 28.738 -0.374 0.000 1.513 103 Q HN 0.692 nan 8.270 nan 0.000 0.577 104 R N 0.242 120.641 120.500 -0.170 0.000 2.388 104 R HA 0.306 4.646 4.340 -0.000 0.000 0.247 104 R C 0.498 176.784 176.300 -0.024 0.000 0.931 104 R CA 0.267 56.317 56.100 -0.083 0.000 1.082 104 R CB 0.168 30.418 30.300 -0.083 0.000 1.135 104 R HN 0.400 nan 8.270 nan 0.000 0.525 105 G N 0.513 109.265 108.800 -0.080 0.000 2.829 105 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.628 105 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.628 105 G C -1.011 173.887 174.900 -0.004 0.000 1.412 105 G CA -0.290 44.741 45.100 -0.114 0.000 0.864 105 G HN 0.327 nan 8.290 nan 0.000 0.544 106 V N 0.806 120.713 119.914 -0.011 0.000 2.777 106 V HA 0.702 4.822 4.120 -0.000 0.000 0.306 106 V C -0.280 175.943 176.094 0.216 0.000 1.112 106 V CA -0.874 61.485 62.300 0.098 0.000 0.917 106 V CB 1.600 33.443 31.823 0.034 0.000 1.018 106 V HN 0.933 nan 8.190 nan 0.000 0.426 107 L N 5.750 127.118 121.223 0.241 0.000 2.282 107 L HA 0.594 4.934 4.340 -0.000 0.000 0.288 107 L C -0.327 176.633 176.870 0.151 0.000 1.033 107 L CA -0.333 54.634 54.840 0.211 0.000 0.807 107 L CB 1.634 43.779 42.059 0.144 0.000 1.209 107 L HN 0.664 nan 8.230 nan 0.000 0.423 108 N N 4.039 122.810 118.700 0.118 0.000 2.707 108 N HA 0.401 5.141 4.740 -0.000 0.000 0.235 108 N C -0.765 174.795 175.510 0.083 0.000 1.028 108 N CA -0.454 52.661 53.050 0.110 0.000 0.906 108 N CB 0.899 39.437 38.487 0.085 0.000 1.131 108 N HN 0.392 nan 8.380 nan 0.000 0.509 109 L N 1.068 122.327 121.223 0.061 0.000 2.483 109 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 109 L C 0.602 177.449 176.870 -0.038 0.000 1.220 109 L CA -0.296 54.515 54.840 -0.049 0.000 0.833 109 L CB 0.310 42.323 42.059 -0.077 0.000 1.102 109 L HN 0.383 nan 8.230 nan 0.000 0.490 110 A N 1.087 123.811 122.820 -0.159 0.000 2.343 110 A HA 0.591 4.911 4.320 -0.000 0.000 0.316 110 A C -0.509 176.890 177.584 -0.308 0.000 1.104 110 A CA -0.527 51.474 52.037 -0.060 0.000 0.768 110 A CB 0.568 19.672 19.000 0.174 0.000 1.213 110 A HN 0.871 nan 8.150 nan 0.000 0.456 111 H N 0.471 119.476 119.070 -0.110 0.000 3.058 111 H HA 0.264 4.820 4.556 -0.000 0.000 0.266 111 H C 0.487 175.673 175.328 -0.237 0.000 1.135 111 H CA 0.887 56.849 56.048 -0.144 0.000 1.174 111 H CB 1.018 30.706 29.762 -0.124 0.000 1.581 111 H HN 0.747 nan 8.280 nan 0.000 0.553 112 T N -2.889 111.559 114.554 -0.175 0.000 2.864 112 T HA 0.288 4.638 4.350 -0.000 0.000 0.299 112 T C 0.916 175.556 174.700 -0.100 0.000 1.166 112 T CA -0.884 61.112 62.100 -0.173 0.000 1.007 112 T CB 1.098 69.780 68.868 -0.310 0.000 1.219 112 T HN 0.021 nan 8.240 nan 0.000 0.506 113 L N 0.769 121.948 121.223 -0.073 0.000 2.131 113 L HA 0.095 4.434 4.340 -0.000 0.000 0.210 113 L C 2.839 179.656 176.870 -0.088 0.000 1.092 113 L CA 1.765 56.566 54.840 -0.066 0.000 0.759 113 L CB -0.884 41.146 42.059 -0.048 0.000 0.903 113 L HN 1.000 nan 8.230 nan 0.000 0.435 114 G N -0.525 108.221 108.800 -0.090 0.000 2.403 114 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 114 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 114 G C 1.109 175.951 174.900 -0.096 0.000 1.154 114 G CA 0.556 45.604 45.100 -0.086 0.000 0.784 114 G HN 0.262 nan 8.290 nan 0.000 0.538 115 D N 0.369 120.708 120.400 -0.102 0.000 2.097 115 D HA -0.097 4.543 4.640 -0.000 0.000 0.195 115 D C 2.792 179.035 176.300 -0.094 0.000 0.989 115 D CA 0.718 54.674 54.000 -0.073 0.000 0.827 115 D CB -0.468 40.297 40.800 -0.058 0.000 0.966 115 D HN 0.171 nan 8.370 nan 0.000 0.456 116 V N 0.605 120.443 119.914 -0.127 0.000 2.332 116 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 116 V C 2.521 178.366 176.094 -0.415 0.000 1.055 116 V CA 1.725 63.834 62.300 -0.320 0.000 1.038 116 V CB -0.424 31.246 31.823 -0.255 0.000 0.651 116 V HN 0.113 nan 8.190 nan 0.000 0.450 117 R N -0.192 120.155 120.500 -0.255 0.000 2.073 117 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 117 R C 2.403 178.586 176.300 -0.195 0.000 1.134 117 R CA 1.554 57.524 56.100 -0.218 0.000 0.952 117 R CB -0.163 30.052 30.300 -0.141 0.000 0.850 117 R HN 0.491 nan 8.270 nan 0.000 0.433 118 E N -0.003 120.106 120.200 -0.152 0.000 2.106 118 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 118 E C 2.039 178.558 176.600 -0.134 0.000 0.984 118 E CA 1.193 57.518 56.400 -0.126 0.000 0.806 118 E CB -0.105 29.544 29.700 -0.085 0.000 0.750 118 E HN 0.271 nan 8.360 nan 0.000 0.458 119 S N 1.066 116.674 115.700 -0.152 0.000 2.345 119 S HA -0.095 4.374 4.470 -0.000 0.000 0.220 119 S C 2.021 176.522 174.600 -0.165 0.000 1.031 119 S CA 0.690 58.829 58.200 -0.102 0.000 0.996 119 S CB -0.089 63.097 63.200 -0.023 0.000 0.882 119 S HN 0.161 nan 8.310 nan 0.000 0.445 120 I N 1.856 122.208 120.570 -0.363 0.000 2.208 120 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 120 I C 2.537 178.555 176.117 -0.164 0.000 1.097 120 I CA 1.314 62.421 61.300 -0.322 0.000 1.363 120 I CB -1.192 36.553 38.000 -0.424 0.000 1.051 120 I HN 0.304 nan 8.210 nan 0.000 0.413 121 R N 0.975 121.382 120.500 -0.154 0.000 2.083 121 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 121 R C 2.508 178.754 176.300 -0.091 0.000 1.137 121 R CA 1.664 57.699 56.100 -0.109 0.000 0.951 121 R CB -0.195 30.030 30.300 -0.125 0.000 0.851 121 R HN 0.221 nan 8.270 nan 0.000 0.434 122 R N -0.061 120.379 120.500 -0.101 0.000 2.075 122 R HA -0.071 4.268 4.340 -0.000 0.000 0.232 122 R C 2.175 178.458 176.300 -0.029 0.000 1.126 122 R CA 1.397 57.449 56.100 -0.080 0.000 0.963 122 R CB -0.081 30.166 30.300 -0.088 0.000 0.858 122 R HN 0.124 nan 8.270 nan 0.000 0.435 123 V N 1.406 121.312 119.914 -0.013 0.000 2.295 123 V HA -0.220 3.899 4.120 -0.000 0.000 0.246 123 V C 2.206 178.295 176.094 -0.008 0.000 1.049 123 V CA 1.826 64.137 62.300 0.018 0.000 1.024 123 V CB -0.394 31.471 31.823 0.070 0.000 0.648 123 V HN 0.347 nan 8.190 nan 0.000 0.447 124 E N 0.288 120.475 120.200 -0.023 0.000 2.110 124 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 124 E C 2.309 178.928 176.600 0.031 0.000 0.988 124 E CA 1.483 57.866 56.400 -0.029 0.000 0.804 124 E CB -0.527 29.172 29.700 -0.002 0.000 0.745 124 E HN 0.579 nan 8.360 nan 0.000 0.458 125 A N 1.539 124.394 122.820 0.058 0.000 1.930 125 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 125 A C 1.960 179.612 177.584 0.113 0.000 1.175 125 A CA 1.300 53.408 52.037 0.118 0.000 0.627 125 A CB -0.411 18.616 19.000 0.046 0.000 0.815 125 A HN 0.130 nan 8.150 nan 0.000 0.443 126 N N 0.320 119.054 118.700 0.056 0.000 2.043 126 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 126 N C 1.619 177.154 175.510 0.042 0.000 1.037 126 N CA 1.756 54.840 53.050 0.057 0.000 0.851 126 N CB -0.342 38.165 38.487 0.033 0.000 1.027 126 N HN 0.565 nan 8.380 nan 0.000 0.422 127 K N -0.325 120.055 120.400 -0.033 0.000 2.044 127 K HA -0.104 4.216 4.320 -0.000 0.000 0.210 127 K C 1.597 178.152 176.600 -0.076 0.000 1.049 127 K CA 1.140 57.357 56.287 -0.116 0.000 0.927 127 K CB -0.316 32.019 32.500 -0.276 0.000 0.713 127 K HN 0.117 nan 8.250 nan 0.000 0.443 128 F N 1.330 121.302 119.950 0.038 0.000 2.699 128 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 128 F C 1.410 177.240 175.800 0.050 0.000 1.154 128 F CA 0.674 58.698 58.000 0.040 0.000 1.457 128 F CB -0.108 38.915 39.000 0.037 0.000 1.106 128 F HN 0.063 nan 8.300 nan 0.000 0.585 129 N N -0.567 118.260 118.700 0.212 0.000 2.203 129 N HA 0.139 4.879 4.740 -0.000 0.000 0.207 129 N C 1.544 177.129 175.510 0.126 0.000 1.130 129 N CA 0.877 54.026 53.050 0.166 0.000 0.861 129 N CB 0.636 39.221 38.487 0.163 0.000 1.005 129 N HN 0.231 nan 8.380 nan 0.000 0.507 130 G N 0.729 109.592 108.800 0.105 0.000 2.136 130 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 130 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 130 G C -0.007 174.934 174.900 0.068 0.000 0.989 130 G CA 0.571 45.719 45.100 0.079 0.000 0.682 130 G HN 0.374 nan 8.290 nan 0.000 0.522 131 V N -1.192 118.762 119.914 0.065 0.000 2.604 131 V HA 0.737 4.857 4.120 -0.000 0.000 0.305 131 V C 0.016 176.128 176.094 0.029 0.000 1.043 131 V CA -0.758 61.577 62.300 0.059 0.000 0.888 131 V CB 1.895 33.770 31.823 0.086 0.000 0.995 131 V HN 0.422 nan 8.190 nan 0.000 0.429 132 D N 4.252 124.660 120.400 0.014 0.000 2.450 132 D HA 0.495 5.135 4.640 -0.000 0.000 0.247 132 D C -0.021 176.266 176.300 -0.022 0.000 1.162 132 D CA 0.511 54.505 54.000 -0.010 0.000 0.879 132 D CB 1.341 42.126 40.800 -0.025 0.000 1.163 132 D HN 1.315 nan 8.370 nan 0.000 0.472 133 A N 2.846 125.660 122.820 -0.011 0.000 2.566 133 A HA 0.594 4.914 4.320 -0.000 0.000 0.297 133 A C -1.070 176.541 177.584 0.046 0.000 1.059 133 A CA -0.986 51.056 52.037 0.009 0.000 0.691 133 A CB 1.519 20.530 19.000 0.019 0.000 1.282 133 A HN 0.682 nan 8.150 nan 0.000 0.401 134 E N 1.772 122.030 120.200 0.097 0.000 2.356 134 E HA 0.426 4.776 4.350 -0.000 0.000 0.275 134 E C -1.144 175.575 176.600 0.199 0.000 0.904 134 E CA -0.767 55.715 56.400 0.136 0.000 0.757 134 E CB 1.869 31.644 29.700 0.125 0.000 1.232 134 E HN 0.755 nan 8.360 nan 0.000 0.442 135 W N 5.572 126.882 121.300 0.015 0.000 2.361 135 W HA 0.479 5.139 4.660 -0.000 0.000 0.309 135 W C -1.758 174.757 176.519 -0.007 0.000 1.122 135 W CA -0.750 56.594 57.345 -0.000 0.000 1.208 135 W CB 0.838 30.287 29.460 -0.019 0.000 1.246 135 W HN 0.507 nan 8.180 nan 0.000 0.490 136 L N 5.904 126.570 121.223 -0.928 0.000 2.342 136 L HA 0.385 4.725 4.340 -0.000 0.000 0.271 136 L C 0.958 177.172 176.870 -1.093 0.000 1.008 136 L CA -0.766 53.601 54.840 -0.789 0.000 0.818 136 L CB 2.243 44.007 42.059 -0.492 0.000 1.296 136 L HN 0.422 nan 8.230 nan 0.000 0.427 137 T N -1.839 112.346 114.554 -0.614 0.000 2.847 137 T HA 0.294 4.644 4.350 -0.000 0.000 0.279 137 T C -2.029 172.467 174.700 -0.339 0.000 0.984 137 T CA -1.684 60.168 62.100 -0.413 0.000 0.988 137 T CB 1.372 70.123 68.868 -0.195 0.000 1.040 137 T HN 0.302 nan 8.240 nan 0.000 0.528 138 P HA -0.092 nan 4.420 nan 0.000 0.216 138 P C 1.302 178.494 177.300 -0.180 0.000 1.153 138 P CA 1.106 64.085 63.100 -0.201 0.000 0.858 138 P CB 0.016 31.632 31.700 -0.139 0.000 0.789 139 E N -0.413 119.696 120.200 -0.150 0.000 2.085 139 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 139 E C 2.135 178.646 176.600 -0.149 0.000 0.994 139 E CA 1.338 57.662 56.400 -0.128 0.000 0.801 139 E CB -0.890 28.750 29.700 -0.100 0.000 0.743 139 E HN 0.415 nan 8.360 nan 0.000 0.453 140 Q N -0.146 119.543 119.800 -0.184 0.000 2.167 140 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 140 Q C 2.222 178.074 176.000 -0.246 0.000 0.970 140 Q CA 1.055 56.734 55.803 -0.206 0.000 0.855 140 Q CB 0.041 28.640 28.738 -0.232 0.000 0.911 140 Q HN 0.153 nan 8.270 nan 0.000 0.438 141 V N 1.238 120.993 119.914 -0.265 0.000 2.343 141 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 141 V C 2.210 178.188 176.094 -0.195 0.000 1.051 141 V CA 1.870 64.014 62.300 -0.260 0.000 1.036 141 V CB -0.427 31.245 31.823 -0.252 0.000 0.654 141 V HN 0.217 nan 8.190 nan 0.000 0.451 142 K N 0.235 120.536 120.400 -0.164 0.000 2.103 142 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 142 K C 2.072 178.606 176.600 -0.110 0.000 1.048 142 K CA 1.382 57.595 56.287 -0.124 0.000 0.930 142 K CB -0.283 32.149 32.500 -0.112 0.000 0.716 142 K HN 0.399 nan 8.250 nan 0.000 0.444 143 E N -0.180 119.944 120.200 -0.128 0.000 2.106 143 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 143 E C 2.026 178.553 176.600 -0.121 0.000 0.984 143 E CA 1.188 57.520 56.400 -0.113 0.000 0.806 143 E CB -0.184 29.445 29.700 -0.120 0.000 0.750 143 E HN 0.147 nan 8.360 nan 0.000 0.458 144 V N -0.001 119.805 119.914 -0.179 0.000 2.379 144 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 144 V C 1.506 177.547 176.094 -0.088 0.000 1.044 144 V CA 0.967 63.148 62.300 -0.199 0.000 1.036 144 V CB 0.058 31.633 31.823 -0.413 0.000 0.664 144 V HN 0.220 nan 8.190 nan 0.000 0.453 145 C N 1.221 120.488 119.300 -0.055 0.000 2.653 145 C HA 0.498 4.957 4.460 -0.000 0.000 0.291 145 C C -1.461 173.538 174.990 0.014 0.000 1.064 145 C CA -1.302 57.743 59.018 0.046 0.000 1.469 145 C CB 0.603 28.439 27.740 0.159 0.000 1.861 145 C HN 0.315 nan 8.230 nan 0.000 0.434 146 P HA -0.102 nan 4.420 nan 0.000 0.219 146 P C 1.273 178.558 177.300 -0.025 0.000 1.146 146 P CA 1.339 64.427 63.100 -0.020 0.000 0.808 146 P CB -0.051 31.641 31.700 -0.014 0.000 0.779 147 I N -5.006 115.568 120.570 0.007 0.000 3.251 147 I HA 0.072 4.242 4.170 -0.000 0.000 0.277 147 I C 0.821 176.893 176.117 -0.075 0.000 1.268 147 I CA 0.250 61.534 61.300 -0.027 0.000 1.449 147 I CB -0.545 37.436 38.000 -0.032 0.000 1.083 147 I HN -0.236 nan 8.210 nan 0.000 0.464 148 I N 2.759 123.272 120.570 -0.094 0.000 2.634 148 I HA -0.008 4.162 4.170 -0.000 0.000 0.284 148 I C 0.409 176.366 176.117 -0.266 0.000 1.124 148 I CA 0.062 61.175 61.300 -0.312 0.000 1.417 148 I CB 0.137 37.979 38.000 -0.264 0.000 1.396 148 I HN 0.172 nan 8.210 nan 0.000 0.571 149 N N 4.458 122.963 118.700 -0.325 0.000 2.482 149 N HA 0.046 4.786 4.740 -0.000 0.000 0.242 149 N C 0.635 176.037 175.510 -0.180 0.000 1.100 149 N CA -0.197 52.724 53.050 -0.214 0.000 0.946 149 N CB 0.594 38.961 38.487 -0.201 0.000 1.227 149 N HN 0.660 nan 8.380 nan 0.000 0.508 150 T N -0.561 113.903 114.554 -0.150 0.000 3.144 150 T HA 0.251 4.601 4.350 -0.000 0.000 0.249 150 T C 1.018 175.657 174.700 -0.101 0.000 1.089 150 T CA -0.491 61.528 62.100 -0.134 0.000 0.989 150 T CB -0.069 68.716 68.868 -0.139 0.000 0.992 150 T HN 0.276 nan 8.240 nan 0.000 0.540 151 G N 0.577 109.322 108.800 -0.091 0.000 2.621 151 G HA2 0.380 4.340 3.960 -0.000 0.000 0.271 151 G HA3 0.380 4.340 3.960 -0.000 0.000 0.271 151 G C -0.373 174.492 174.900 -0.057 0.000 1.236 151 G CA -0.627 44.430 45.100 -0.071 0.000 0.958 151 G HN 0.216 nan 8.290 nan 0.000 0.512 152 D N -0.607 119.765 120.400 -0.046 0.000 2.395 152 D HA 0.042 4.682 4.640 -0.000 0.000 0.226 152 D C 1.348 177.622 176.300 -0.042 0.000 1.146 152 D CA -0.156 53.822 54.000 -0.036 0.000 0.830 152 D CB 0.215 40.998 40.800 -0.029 0.000 0.958 152 D HN 0.415 nan 8.370 nan 0.000 0.501 153 N N 1.253 119.923 118.700 -0.051 0.000 2.322 153 N HA -0.013 4.726 4.740 -0.000 0.000 0.216 153 N C 0.176 175.648 175.510 -0.064 0.000 1.144 153 N CA -0.090 52.927 53.050 -0.055 0.000 0.830 153 N CB -0.066 38.389 38.487 -0.054 0.000 1.034 153 N HN 0.326 nan 8.380 nan 0.000 0.484 154 I N -4.589 115.943 120.570 -0.063 0.000 2.846 154 I HA 0.533 4.703 4.170 -0.000 0.000 0.307 154 I C 1.464 177.518 176.117 -0.104 0.000 1.053 154 I CA -1.274 59.982 61.300 -0.075 0.000 1.050 154 I CB 1.903 39.871 38.000 -0.053 0.000 1.239 154 I HN -0.316 nan 8.210 nan 0.000 0.439 155 R N 2.439 122.832 120.500 -0.179 0.000 2.113 155 R HA -0.116 4.223 4.340 -0.000 0.000 0.244 155 R C -0.397 175.615 176.300 -0.480 0.000 1.142 155 R CA 1.950 57.819 56.100 -0.385 0.000 0.953 155 R CB -0.459 29.513 30.300 -0.547 0.000 0.860 155 R HN 0.708 nan 8.270 nan 0.000 0.438 156 Y N -0.076 120.240 120.300 0.027 0.000 2.749 156 Y HA 0.425 4.974 4.550 -0.000 0.000 0.343 156 Y C -2.198 173.795 175.900 0.154 0.000 1.015 156 Y CA -3.614 54.542 58.100 0.093 0.000 1.270 156 Y CB 1.065 39.614 38.460 0.147 0.000 1.097 156 Y HN 0.052 nan 8.280 nan 0.000 0.571 157 P HA -0.054 nan 4.420 nan 0.000 0.265 157 P C -0.156 177.192 177.300 0.080 0.000 1.187 157 P CA 0.094 63.253 63.100 0.099 0.000 0.766 157 P CB 0.800 32.520 31.700 0.033 0.000 0.820 158 V N 4.942 124.834 119.914 -0.038 0.000 2.529 158 V HA -0.000 4.119 4.120 -0.000 0.000 0.292 158 V C 1.511 177.514 176.094 -0.151 0.000 1.028 158 V CA 0.960 63.118 62.300 -0.236 0.000 1.074 158 V CB 0.033 31.705 31.823 -0.252 0.000 0.958 158 V HN 0.597 nan 8.190 nan 0.000 0.481 159 M N 3.613 123.131 119.600 -0.136 0.000 2.371 159 M HA 0.384 4.864 4.480 -0.000 0.000 0.246 159 M C 0.873 177.179 176.300 0.009 0.000 1.103 159 M CA 0.605 55.895 55.300 -0.016 0.000 1.010 159 M CB 0.593 33.224 32.600 0.052 0.000 1.457 159 M HN 0.910 nan 8.290 nan 0.000 0.486 160 G N 0.745 109.442 108.800 -0.172 0.000 2.320 160 G HA2 0.461 4.421 3.960 -0.000 0.000 0.274 160 G HA3 0.461 4.421 3.960 -0.000 0.000 0.274 160 G C -2.133 172.460 174.900 -0.512 0.000 1.324 160 G CA -0.416 44.374 45.100 -0.517 0.000 0.957 160 G HN 0.480 nan 8.290 nan 0.000 0.481 161 A N -1.414 120.884 122.820 -0.871 0.000 2.581 161 A HA 0.910 5.229 4.320 -0.000 0.000 0.294 161 A C -0.067 177.417 177.584 -0.165 0.000 1.035 161 A CA 0.749 52.614 52.037 -0.287 0.000 0.684 161 A CB 0.599 19.486 19.000 -0.188 0.000 1.282 161 A HN 2.468 nan 8.150 nan 0.000 0.417 162 T N -1.112 113.533 114.554 0.152 0.000 2.882 162 T HA 0.623 4.973 4.350 -0.000 0.000 0.287 162 T C -0.587 174.223 174.700 0.183 0.000 1.014 162 T CA -0.149 62.079 62.100 0.213 0.000 1.049 162 T CB 1.058 70.040 68.868 0.190 0.000 1.001 162 T HN 1.528 nan 8.240 nan 0.000 0.525 163 Y N 0.925 121.228 120.300 0.006 0.000 2.396 163 Y HA 0.430 4.980 4.550 -0.000 0.000 0.332 163 Y C -0.855 175.045 175.900 0.000 0.000 1.034 163 Y CA -1.100 56.991 58.100 -0.015 0.000 1.057 163 Y CB 2.078 40.508 38.460 -0.049 0.000 1.220 163 Y HN 0.926 nan 8.280 nan 0.000 0.440 164 Q N 8.797 128.311 119.800 -0.476 0.000 2.401 164 Q HA 0.425 4.764 4.340 -0.000 0.000 0.260 164 Q C -2.434 173.161 176.000 -0.676 0.000 1.034 164 Q CA -2.189 53.360 55.803 -0.424 0.000 0.737 164 Q CB 2.070 30.699 28.738 -0.181 0.000 1.227 164 Q HN 0.435 nan 8.270 nan 0.000 0.488 165 P HA -0.157 nan 4.420 nan 0.000 0.216 165 P C 0.410 177.564 177.300 -0.244 0.000 1.150 165 P CA 1.301 64.114 63.100 -0.479 0.000 0.843 165 P CB 0.231 31.798 31.700 -0.221 0.000 0.787 166 R N -0.872 119.531 120.500 -0.162 0.000 2.280 166 R HA 0.170 4.510 4.340 -0.000 0.000 0.207 166 R C 1.140 177.406 176.300 -0.058 0.000 1.043 166 R CA 0.052 56.109 56.100 -0.070 0.000 1.006 166 R CB -0.445 29.855 30.300 0.001 0.000 0.885 166 R HN 0.176 nan 8.270 nan 0.000 0.467 167 A N 0.439 123.198 122.820 -0.102 0.000 2.366 167 A HA 0.558 4.877 4.320 -0.000 0.000 0.250 167 A C 0.660 178.179 177.584 -0.108 0.000 1.099 167 A CA 0.521 52.517 52.037 -0.068 0.000 0.794 167 A CB 0.283 19.239 19.000 -0.072 0.000 1.056 167 A HN 0.357 nan 8.150 nan 0.000 0.499 168 G N -1.488 107.260 108.800 -0.085 0.000 2.441 168 G HA2 0.497 4.456 3.960 -0.000 0.000 0.225 168 G HA3 0.497 4.456 3.960 -0.000 0.000 0.225 168 G C -0.753 174.109 174.900 -0.063 0.000 1.200 168 G CA -0.066 44.957 45.100 -0.128 0.000 0.947 168 G HN 1.696 nan 8.290 nan 0.000 0.484 169 I N -2.833 117.694 120.570 -0.071 0.000 3.343 169 I HA 0.991 5.161 4.170 -0.000 0.000 0.315 169 I C -0.347 175.837 176.117 0.112 0.000 1.153 169 I CA -1.201 60.116 61.300 0.028 0.000 0.952 169 I CB 1.966 39.977 38.000 0.017 0.000 1.287 169 I HN 1.672 nan 8.210 nan 0.000 0.472 170 A N 1.464 124.389 122.820 0.175 0.000 2.608 170 A HA 0.561 4.881 4.320 -0.000 0.000 0.292 170 A C -1.569 176.127 177.584 0.186 0.000 1.066 170 A CA -0.942 51.263 52.037 0.280 0.000 0.676 170 A CB 1.491 20.707 19.000 0.360 0.000 1.277 170 A HN 0.685 nan 8.150 nan 0.000 0.413 171 K N 1.815 122.334 120.400 0.198 0.000 2.262 171 K HA 0.257 4.577 4.320 -0.000 0.000 0.288 171 K C 0.766 177.421 176.600 0.091 0.000 1.090 171 K CA -0.238 56.082 56.287 0.054 0.000 0.918 171 K CB 0.244 32.844 32.500 0.167 0.000 1.139 171 K HN 0.809 nan 8.250 nan 0.000 0.462 172 H N 1.400 120.470 119.070 0.001 0.000 2.321 172 H HA -0.216 4.340 4.556 -0.000 0.000 0.295 172 H C 0.753 175.975 175.328 -0.176 0.000 1.102 172 H CA 1.722 57.752 56.048 -0.031 0.000 1.266 172 H CB -0.315 29.224 29.762 -0.371 0.000 1.363 172 H HN 0.549 nan 8.280 nan 0.000 0.492 173 D N 0.686 121.216 120.400 0.217 0.000 2.106 173 D HA -0.173 4.466 4.640 -0.000 0.000 0.191 173 D C 2.169 177.743 176.300 -1.210 0.000 0.997 173 D CA 1.661 55.261 54.000 -0.667 0.000 0.834 173 D CB -0.515 39.746 40.800 -0.899 0.000 0.956 173 D HN 0.619 nan 8.370 nan 0.000 0.448 174 H N -0.013 118.665 119.070 -0.653 0.000 2.457 174 H HA -0.004 4.552 4.556 -0.000 0.000 0.294 174 H C 2.311 177.367 175.328 -0.454 0.000 1.064 174 H CA 0.365 56.159 56.048 -0.423 0.000 1.330 174 H CB 0.130 29.878 29.762 -0.022 0.000 1.395 174 H HN 0.033 nan 8.280 nan 0.000 0.541 175 V N 1.094 120.856 119.914 -0.254 0.000 2.307 175 V HA -0.216 3.903 4.120 -0.000 0.000 0.245 175 V C 2.822 178.795 176.094 -0.202 0.000 1.045 175 V CA 1.496 63.528 62.300 -0.445 0.000 1.024 175 V CB -0.876 30.823 31.823 -0.208 0.000 0.651 175 V HN 0.441 nan 8.190 nan 0.000 0.449 176 A N -0.510 122.242 122.820 -0.114 0.000 1.877 176 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 176 A C 1.954 179.645 177.584 0.179 0.000 1.186 176 A CA 1.892 53.938 52.037 0.015 0.000 0.620 176 A CB -0.738 18.229 19.000 -0.055 0.000 0.822 176 A HN 0.645 nan 8.150 nan 0.000 0.443 177 W N -0.294 121.041 121.300 0.058 0.000 2.363 177 W HA -0.001 4.659 4.660 -0.000 0.000 0.296 177 W C 2.756 179.316 176.519 0.068 0.000 1.212 177 W CA 0.520 57.979 57.345 0.190 0.000 1.260 177 W CB -1.365 28.218 29.460 0.205 0.000 1.131 177 W HN 0.455 nan 8.180 nan 0.000 0.530 178 A N -0.161 122.603 122.820 -0.092 0.000 1.877 178 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 178 A C 1.970 179.506 177.584 -0.080 0.000 1.186 178 A CA 1.516 53.426 52.037 -0.211 0.000 0.620 178 A CB -1.378 17.327 19.000 -0.491 0.000 0.822 178 A HN 0.198 nan 8.150 nan 0.000 0.443 179 F N 0.024 119.879 119.950 -0.157 0.000 2.134 179 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 179 F C 2.791 178.569 175.800 -0.036 0.000 1.097 179 F CA 0.994 58.866 58.000 -0.213 0.000 1.264 179 F CB -0.095 38.753 39.000 -0.253 0.000 1.001 179 F HN 0.285 nan 8.300 nan 0.000 0.479 180 A N -0.137 122.839 122.820 0.259 0.000 1.930 180 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 180 A C 2.204 179.960 177.584 0.285 0.000 1.175 180 A CA 1.518 53.688 52.037 0.223 0.000 0.627 180 A CB -0.698 18.421 19.000 0.197 0.000 0.815 180 A HN 0.329 nan 8.150 nan 0.000 0.443 181 R N -0.574 120.122 120.500 0.327 0.000 2.075 181 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 181 R C 1.951 178.398 176.300 0.246 0.000 1.126 181 R CA 1.453 57.726 56.100 0.288 0.000 0.963 181 R CB -0.132 30.345 30.300 0.296 0.000 0.858 181 R HN 0.221 nan 8.270 nan 0.000 0.435 182 K N 0.257 120.783 120.400 0.210 0.000 2.057 182 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 182 K C 1.962 178.715 176.600 0.255 0.000 1.050 182 K CA 1.320 57.738 56.287 0.220 0.000 0.935 182 K CB -0.321 32.287 32.500 0.180 0.000 0.715 182 K HN 0.249 nan 8.250 nan 0.000 0.439 183 A N 2.175 125.151 122.820 0.260 0.000 1.877 183 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 183 A C 2.074 179.757 177.584 0.164 0.000 1.186 183 A CA 1.828 53.991 52.037 0.209 0.000 0.620 183 A CB -0.671 18.431 19.000 0.169 0.000 0.822 183 A HN 0.399 nan 8.150 nan 0.000 0.443 184 N N -0.072 118.738 118.700 0.184 0.000 2.166 184 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 184 N C 1.768 177.404 175.510 0.209 0.000 1.019 184 N CA 1.729 54.897 53.050 0.197 0.000 0.856 184 N CB -0.239 38.401 38.487 0.255 0.000 0.993 184 N HN 0.718 nan 8.380 nan 0.000 0.426 185 E N -0.116 120.216 120.200 0.219 0.000 2.204 185 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 185 E C 1.512 178.195 176.600 0.138 0.000 0.989 185 E CA 0.610 57.126 56.400 0.193 0.000 0.824 185 E CB 0.066 29.882 29.700 0.192 0.000 0.756 185 E HN 0.437 nan 8.360 nan 0.000 0.477 186 M N -0.867 118.810 119.600 0.128 0.000 2.563 186 M HA 0.147 4.627 4.480 -0.000 0.000 0.231 186 M C 1.052 177.400 176.300 0.080 0.000 1.136 186 M CA 0.765 56.118 55.300 0.087 0.000 1.026 186 M CB 1.047 33.685 32.600 0.064 0.000 1.597 186 M HN 0.352 nan 8.290 nan 0.000 0.495 187 G N 0.173 109.033 108.800 0.100 0.000 2.195 187 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.224 187 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.224 187 G C 0.081 175.045 174.900 0.107 0.000 0.990 187 G CA -0.427 44.733 45.100 0.099 0.000 0.639 187 G HN 0.270 nan 8.290 nan 0.000 0.514 188 V N 1.720 121.690 119.914 0.094 0.000 2.585 188 V HA 0.351 4.471 4.120 -0.000 0.000 0.296 188 V C 0.179 176.308 176.094 0.058 0.000 1.035 188 V CA 0.066 62.405 62.300 0.065 0.000 1.084 188 V CB 1.340 33.188 31.823 0.042 0.000 0.953 188 V HN 0.272 nan 8.190 nan 0.000 0.483 189 D N 4.417 124.829 120.400 0.021 0.000 2.313 189 D HA 0.437 5.077 4.640 -0.000 0.000 0.239 189 D C -0.174 176.069 176.300 -0.095 0.000 1.142 189 D CA 0.037 54.043 54.000 0.009 0.000 0.847 189 D CB 1.075 41.925 40.800 0.084 0.000 1.082 189 D HN 0.354 nan 8.370 nan 0.000 0.480 190 I N 4.086 124.608 120.570 -0.079 0.000 2.307 190 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 190 I C -0.333 175.698 176.117 -0.143 0.000 1.021 190 I CA -0.642 60.559 61.300 -0.165 0.000 1.224 190 I CB 0.962 38.796 38.000 -0.277 0.000 1.376 190 I HN 0.088 nan 8.210 nan 0.000 0.470 191 I N 6.576 127.062 120.570 -0.140 0.000 2.354 191 I HA 0.373 4.543 4.170 -0.000 0.000 0.286 191 I C 0.111 176.168 176.117 -0.101 0.000 1.007 191 I CA -0.474 60.771 61.300 -0.092 0.000 1.167 191 I CB 0.907 38.865 38.000 -0.070 0.000 1.320 191 I HN 0.629 nan 8.210 nan 0.000 0.458 192 Q N 4.343 124.097 119.800 -0.077 0.000 2.169 192 Q HA 0.410 4.750 4.340 -0.000 0.000 0.234 192 Q C 0.245 176.231 176.000 -0.022 0.000 0.980 192 Q CA -0.756 55.011 55.803 -0.059 0.000 0.941 192 Q CB 0.998 29.716 28.738 -0.033 0.000 1.199 192 Q HN 0.446 nan 8.270 nan 0.000 0.496 193 N N -0.562 118.133 118.700 -0.008 0.000 2.708 193 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 193 N C -1.175 174.324 175.510 -0.019 0.000 1.097 193 N CA 0.730 53.782 53.050 0.002 0.000 0.710 193 N CB -1.410 37.092 38.487 0.025 0.000 1.032 193 N HN 0.497 nan 8.380 nan 0.000 0.551 194 C N 1.136 120.411 119.300 -0.043 0.000 2.437 194 C HA 0.346 4.805 4.460 -0.000 0.000 0.307 194 C C 0.308 175.254 174.990 -0.073 0.000 1.093 194 C CA -0.848 58.139 59.018 -0.052 0.000 1.463 194 C CB 0.134 27.842 27.740 -0.053 0.000 1.926 194 C HN 0.282 nan 8.230 nan 0.000 0.420 195 E N 4.109 124.266 120.200 -0.072 0.000 2.200 195 E HA 0.419 4.768 4.350 -0.000 0.000 0.283 195 E C -0.698 175.840 176.600 -0.103 0.000 1.015 195 E CA -0.304 56.042 56.400 -0.089 0.000 0.819 195 E CB 1.364 31.017 29.700 -0.080 0.000 1.081 195 E HN 0.633 nan 8.360 nan 0.000 0.397 196 V N 4.846 124.684 119.914 -0.128 0.000 2.470 196 V HA 0.019 4.139 4.120 -0.000 0.000 0.276 196 V C 1.241 177.233 176.094 -0.169 0.000 1.040 196 V CA 0.603 62.787 62.300 -0.193 0.000 1.008 196 V CB 0.874 32.539 31.823 -0.264 0.000 0.990 196 V HN 0.904 nan 8.190 nan 0.000 0.477 197 T N 0.755 115.211 114.554 -0.164 0.000 3.044 197 T HA 0.523 4.872 4.350 -0.000 0.000 0.260 197 T C 0.561 175.204 174.700 -0.095 0.000 1.019 197 T CA 0.333 62.373 62.100 -0.100 0.000 0.921 197 T CB 0.534 69.362 68.868 -0.066 0.000 1.053 197 T HN 0.986 nan 8.240 nan 0.000 0.533 198 G N 0.087 108.760 108.800 -0.211 0.000 2.495 198 G HA2 0.550 4.510 3.960 -0.000 0.000 0.294 198 G HA3 0.550 4.510 3.960 -0.000 0.000 0.294 198 G C -2.235 172.443 174.900 -0.370 0.000 1.397 198 G CA -0.982 44.042 45.100 -0.128 0.000 0.790 198 G HN 0.146 nan 8.290 nan 0.000 0.486 199 F N -0.621 119.343 119.950 0.022 0.000 2.576 199 F HA 0.691 5.218 4.527 -0.000 0.000 0.313 199 F C 0.074 175.887 175.800 0.022 0.000 1.078 199 F CA -0.802 57.214 58.000 0.027 0.000 0.921 199 F CB 2.450 41.474 39.000 0.039 0.000 1.232 199 F HN 0.214 nan 8.300 nan 0.000 0.459 200 L N 2.849 124.192 121.223 0.200 0.000 2.317 200 L HA 0.612 4.952 4.340 -0.000 0.000 0.281 200 L C -0.721 176.217 176.870 0.114 0.000 1.024 200 L CA -0.731 54.180 54.840 0.119 0.000 0.810 200 L CB 1.942 44.044 42.059 0.072 0.000 1.240 200 L HN 0.629 nan 8.230 nan 0.000 0.427 201 K N 0.980 121.426 120.400 0.077 0.000 2.443 201 K HA 0.260 4.579 4.320 -0.000 0.000 0.251 201 K C -0.217 176.403 176.600 0.033 0.000 0.972 201 K CA -0.735 55.583 56.287 0.051 0.000 0.833 201 K CB 2.366 34.891 32.500 0.041 0.000 1.317 201 K HN 0.609 nan 8.250 nan 0.000 0.441 202 D N -0.364 120.048 120.400 0.020 0.000 2.423 202 D HA 0.088 4.728 4.640 -0.000 0.000 0.212 202 D C 0.733 177.038 176.300 0.008 0.000 1.060 202 D CA 0.665 54.673 54.000 0.014 0.000 0.872 202 D CB 0.923 41.729 40.800 0.010 0.000 1.012 202 D HN 0.667 nan 8.370 nan 0.000 0.503 203 G N -0.088 108.715 108.800 0.005 0.000 3.432 203 G HA2 0.013 3.973 3.960 -0.000 0.000 0.124 203 G HA3 0.013 3.973 3.960 -0.000 0.000 0.124 203 G C 0.143 175.040 174.900 -0.005 0.000 1.237 203 G CA -0.203 44.897 45.100 0.000 0.000 1.347 203 G HN 0.047 nan 8.290 nan 0.000 0.654 204 E N 0.700 120.891 120.200 -0.016 0.000 3.105 204 E HA 0.268 4.617 4.350 -0.000 0.000 0.198 204 E C -0.612 175.958 176.600 -0.050 0.000 0.976 204 E CA -0.078 56.304 56.400 -0.030 0.000 1.219 204 E CB 1.081 30.761 29.700 -0.032 0.000 1.081 204 E HN 0.405 nan 8.360 nan 0.000 0.464 205 K N 0.908 121.286 120.400 -0.037 0.000 2.507 205 K HA 0.288 4.608 4.320 -0.000 0.000 0.252 205 K C -0.618 175.969 176.600 -0.022 0.000 0.943 205 K CA -0.536 55.723 56.287 -0.047 0.000 0.808 205 K CB 2.411 34.892 32.500 -0.033 0.000 1.142 205 K HN -0.074 nan 8.250 nan 0.000 0.426 206 V N 4.026 123.920 119.914 -0.032 0.000 2.740 206 V HA 0.095 4.215 4.120 -0.000 0.000 0.303 206 V C 0.601 176.725 176.094 0.049 0.000 1.054 206 V CA 1.357 63.674 62.300 0.029 0.000 1.106 206 V CB 1.154 32.999 31.823 0.037 0.000 0.957 206 V HN 1.062 nan 8.190 nan 0.000 0.486 207 T N 1.914 116.515 114.554 0.079 0.000 3.087 207 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 207 T C 0.391 175.139 174.700 0.079 0.000 0.956 207 T CA 0.350 62.490 62.100 0.066 0.000 0.894 207 T CB 0.244 69.140 68.868 0.046 0.000 1.160 207 T HN 1.483 nan 8.240 nan 0.000 0.532 208 G N 0.920 109.785 108.800 0.108 0.000 2.342 208 G HA2 0.507 4.467 3.960 -0.000 0.000 0.297 208 G HA3 0.507 4.467 3.960 -0.000 0.000 0.297 208 G C -1.903 173.039 174.900 0.071 0.000 1.313 208 G CA -0.079 45.073 45.100 0.087 0.000 0.830 208 G HN 1.028 nan 8.290 nan 0.000 0.506 209 V N -2.549 117.352 119.914 -0.021 0.000 2.925 209 V HA 0.903 5.022 4.120 -0.000 0.000 0.311 209 V C -0.756 175.247 176.094 -0.152 0.000 1.104 209 V CA -1.373 60.813 62.300 -0.190 0.000 0.954 209 V CB 1.836 33.479 31.823 -0.299 0.000 1.022 209 V HN 0.892 nan 8.190 nan 0.000 0.427 210 K N 2.640 122.919 120.400 -0.202 0.000 2.211 210 K HA 0.782 5.101 4.320 -0.000 0.000 0.275 210 K C -0.098 176.416 176.600 -0.144 0.000 1.024 210 K CA 0.515 56.727 56.287 -0.124 0.000 0.887 210 K CB 1.197 33.642 32.500 -0.092 0.000 1.084 210 K HN 1.307 nan 8.250 nan 0.000 0.463 211 T N -0.754 113.743 114.554 -0.094 0.000 2.865 211 T HA 0.245 4.594 4.350 -0.000 0.000 0.294 211 T C 0.900 175.567 174.700 -0.054 0.000 1.119 211 T CA -0.279 61.769 62.100 -0.086 0.000 1.007 211 T CB 1.100 69.921 68.868 -0.080 0.000 1.225 211 T HN 0.541 nan 8.240 nan 0.000 0.515 212 T N -1.027 113.497 114.554 -0.049 0.000 3.098 212 T HA 0.058 4.408 4.350 -0.000 0.000 0.266 212 T C 1.209 175.896 174.700 -0.021 0.000 1.145 212 T CA 0.438 62.519 62.100 -0.032 0.000 1.092 212 T CB -0.362 68.488 68.868 -0.030 0.000 0.908 212 T HN 0.687 nan 8.240 nan 0.000 0.526 213 R N 0.804 121.292 120.500 -0.021 0.000 2.546 213 R HA 0.504 4.843 4.340 -0.000 0.000 0.320 213 R C 0.806 177.104 176.300 -0.002 0.000 1.021 213 R CA 0.077 56.173 56.100 -0.007 0.000 1.088 213 R CB 0.787 31.085 30.300 -0.003 0.000 1.278 213 R HN 0.524 nan 8.270 nan 0.000 0.557 214 G N 0.272 109.066 108.800 -0.010 0.000 2.497 214 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 214 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 214 G C -0.579 174.315 174.900 -0.009 0.000 1.288 214 G CA -1.110 43.987 45.100 -0.005 0.000 0.899 214 G HN -0.002 nan 8.290 nan 0.000 0.608 215 T N 0.412 114.963 114.554 -0.005 0.000 2.897 215 T HA 0.603 4.953 4.350 -0.000 0.000 0.294 215 T C 0.519 175.228 174.700 0.016 0.000 1.004 215 T CA 0.309 62.405 62.100 -0.006 0.000 1.106 215 T CB 0.668 69.534 68.868 -0.003 0.000 0.949 215 T HN 0.591 nan 8.240 nan 0.000 0.520 216 I N 3.457 124.042 120.570 0.024 0.000 2.468 216 I HA 0.314 4.484 4.170 -0.000 0.000 0.285 216 I C -0.233 175.929 176.117 0.075 0.000 1.039 216 I CA -0.719 60.625 61.300 0.074 0.000 1.074 216 I CB 1.460 39.533 38.000 0.122 0.000 1.228 216 I HN 0.352 nan 8.210 nan 0.000 0.436 217 L N 5.412 126.675 121.223 0.068 0.000 2.453 217 L HA 0.727 5.067 4.340 -0.000 0.000 0.261 217 L C 0.369 177.299 176.870 0.099 0.000 1.179 217 L CA -0.203 54.674 54.840 0.063 0.000 0.813 217 L CB 0.999 43.078 42.059 0.033 0.000 1.110 217 L HN 0.737 nan 8.230 nan 0.000 0.466 218 A N 0.604 123.480 122.820 0.093 0.000 2.566 218 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 218 A C 0.349 177.986 177.584 0.089 0.000 1.059 218 A CA 0.026 52.131 52.037 0.113 0.000 0.691 218 A CB 1.139 20.219 19.000 0.133 0.000 1.282 218 A HN 0.796 nan 8.150 nan 0.000 0.401 219 G N 0.424 109.276 108.800 0.086 0.000 2.403 219 G HA2 0.225 4.185 3.960 -0.000 0.000 0.216 219 G HA3 0.225 4.185 3.960 -0.000 0.000 0.216 219 G C 0.544 175.494 174.900 0.083 0.000 1.154 219 G CA 0.841 45.982 45.100 0.068 0.000 0.784 219 G HN 0.654 nan 8.290 nan 0.000 0.538 220 K N -0.768 119.700 120.400 0.113 0.000 2.502 220 K HA 0.600 4.920 4.320 -0.000 0.000 0.257 220 K C -1.787 174.912 176.600 0.165 0.000 0.938 220 K CA -0.654 55.728 56.287 0.159 0.000 0.819 220 K CB 3.412 36.052 32.500 0.233 0.000 1.333 220 K HN -0.100 nan 8.250 nan 0.000 0.434 221 V N 1.377 121.397 119.914 0.177 0.000 2.577 221 V HA 0.638 4.758 4.120 -0.000 0.000 0.303 221 V C -0.988 175.243 176.094 0.228 0.000 1.042 221 V CA -0.828 61.585 62.300 0.188 0.000 0.872 221 V CB 1.666 33.621 31.823 0.220 0.000 0.998 221 V HN 0.912 nan 8.190 nan 0.000 0.423 222 A N 5.722 128.671 122.820 0.215 0.000 2.331 222 A HA 0.901 5.220 4.320 -0.000 0.000 0.320 222 A C -0.935 176.761 177.584 0.187 0.000 1.138 222 A CA -0.549 51.622 52.037 0.223 0.000 0.790 222 A CB 0.931 20.036 19.000 0.175 0.000 1.206 222 A HN 0.806 nan 8.150 nan 0.000 0.470 223 L N 2.053 123.396 121.223 0.201 0.000 2.272 223 L HA 0.638 4.978 4.340 -0.000 0.000 0.289 223 L C 0.535 177.508 176.870 0.172 0.000 1.032 223 L CA -0.296 54.665 54.840 0.201 0.000 0.810 223 L CB 1.786 43.988 42.059 0.239 0.000 1.205 223 L HN 0.814 nan 8.230 nan 0.000 0.422 224 A N 2.202 125.100 122.820 0.129 0.000 3.365 224 A HA 0.502 4.822 4.320 -0.000 0.000 0.258 224 A C 0.797 178.418 177.584 0.063 0.000 0.964 224 A CA -0.148 51.951 52.037 0.104 0.000 0.988 224 A CB 0.228 19.273 19.000 0.075 0.000 1.193 224 A HN 0.823 nan 8.150 nan 0.000 0.508 225 G N -0.506 108.350 108.800 0.094 0.000 3.189 225 G HA2 0.482 4.441 3.960 -0.000 0.000 0.225 225 G HA3 0.482 4.441 3.960 -0.000 0.000 0.225 225 G C 1.080 176.050 174.900 0.117 0.000 1.159 225 G CA 0.985 46.139 45.100 0.090 0.000 0.763 225 G HN 1.690 nan 8.290 nan 0.000 0.549 226 A N 0.283 123.153 122.820 0.084 0.000 5.228 226 A HA -0.264 4.056 4.320 -0.000 0.000 0.354 226 A C 2.520 180.147 177.584 0.072 0.000 1.628 226 A CA 2.465 54.541 52.037 0.065 0.000 0.701 226 A CB -1.576 17.421 19.000 -0.006 0.000 1.503 226 A HN 1.439 nan 8.150 nan 0.000 0.412 227 G N -2.375 106.449 108.800 0.039 0.000 2.517 227 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.222 227 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.222 227 G C 0.894 175.745 174.900 -0.082 0.000 1.109 227 G CA 1.976 47.031 45.100 -0.075 0.000 0.746 227 G HN 1.030 nan 8.290 nan 0.000 0.576 228 H N -0.500 118.640 119.070 0.116 0.000 2.520 228 H HA 0.355 4.910 4.556 -0.000 0.000 0.284 228 H C 2.344 177.730 175.328 0.096 0.000 1.037 228 H CA 0.289 56.429 56.048 0.154 0.000 1.168 228 H CB 0.613 30.433 29.762 0.096 0.000 1.497 228 H HN 0.214 nan 8.280 nan 0.000 0.547 229 S N -0.324 115.466 115.700 0.150 0.000 2.383 229 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 229 S C 2.182 176.802 174.600 0.032 0.000 1.030 229 S CA 1.466 59.727 58.200 0.102 0.000 1.002 229 S CB -0.058 63.197 63.200 0.091 0.000 0.829 229 S HN 0.434 nan 8.310 nan 0.000 0.467 230 S N 0.910 116.623 115.700 0.023 0.000 2.383 230 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 230 S C 1.983 176.563 174.600 -0.034 0.000 1.026 230 S CA 0.894 59.072 58.200 -0.037 0.000 0.981 230 S CB -0.292 62.906 63.200 -0.004 0.000 0.818 230 S HN 0.350 nan 8.310 nan 0.000 0.472 231 V N 1.959 121.894 119.914 0.035 0.000 2.358 231 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 231 V C 2.145 178.271 176.094 0.054 0.000 1.047 231 V CA 1.479 63.800 62.300 0.034 0.000 1.035 231 V CB -0.679 31.187 31.823 0.072 0.000 0.658 231 V HN 0.405 nan 8.190 nan 0.000 0.452 232 L N 0.033 121.314 121.223 0.095 0.000 2.027 232 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 232 L C 2.771 179.665 176.870 0.039 0.000 1.074 232 L CA 1.481 56.433 54.840 0.188 0.000 0.745 232 L CB -0.820 41.383 42.059 0.241 0.000 0.898 232 L HN 0.338 nan 8.230 nan 0.000 0.433 233 A N -0.091 122.622 122.820 -0.178 0.000 1.883 233 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 233 A C 2.263 179.552 177.584 -0.492 0.000 1.186 233 A CA 2.123 53.769 52.037 -0.652 0.000 0.624 233 A CB -0.617 17.820 19.000 -0.940 0.000 0.822 233 A HN 0.495 nan 8.150 nan 0.000 0.444 234 E N -0.221 119.824 120.200 -0.258 0.000 2.077 234 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 234 E C 1.935 178.502 176.600 -0.054 0.000 0.989 234 E CA 1.123 57.435 56.400 -0.146 0.000 0.800 234 E CB -0.222 29.427 29.700 -0.084 0.000 0.746 234 E HN 0.635 nan 8.360 nan 0.000 0.452 235 L N 0.249 121.490 121.223 0.029 0.000 2.131 235 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 235 L C 2.600 179.562 176.870 0.154 0.000 1.092 235 L CA 1.002 55.938 54.840 0.161 0.000 0.759 235 L CB -0.391 41.862 42.059 0.324 0.000 0.903 235 L HN 0.230 nan 8.230 nan 0.000 0.435 236 A N -0.575 122.185 122.820 -0.101 0.000 1.968 236 A HA 0.142 4.461 4.320 -0.000 0.000 0.217 236 A C 1.737 179.285 177.584 -0.060 0.000 1.169 236 A CA 1.277 53.096 52.037 -0.362 0.000 0.638 236 A CB -0.375 18.332 19.000 -0.489 0.000 0.812 236 A HN 0.526 nan 8.150 nan 0.000 0.446 237 G N -2.067 106.722 108.800 -0.018 0.000 2.151 237 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.156 237 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.156 237 G C -0.076 174.896 174.900 0.120 0.000 1.017 237 G CA -0.012 45.108 45.100 0.034 0.000 0.686 237 G HN 1.479 nan 8.290 nan 0.000 0.503 238 F N -0.955 118.945 119.950 -0.084 0.000 2.643 238 F HA 0.882 5.409 4.527 -0.000 0.000 0.314 238 F C -0.315 175.457 175.800 -0.046 0.000 1.096 238 F CA -1.690 56.271 58.000 -0.064 0.000 0.953 238 F CB 0.973 39.925 39.000 -0.079 0.000 1.345 238 F HN 0.030 nan 8.300 nan 0.000 0.468 239 E N 1.882 122.094 120.200 0.019 0.000 2.277 239 E HA 0.604 4.954 4.350 -0.000 0.000 0.274 239 E C -1.309 175.261 176.600 -0.048 0.000 1.022 239 E CA -0.851 55.495 56.400 -0.089 0.000 0.853 239 E CB 2.272 31.966 29.700 -0.011 0.000 1.086 239 E HN 0.562 nan 8.360 nan 0.000 0.397 240 L N 3.448 124.594 121.223 -0.127 0.000 2.404 240 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 240 L C -2.134 174.672 176.870 -0.107 0.000 0.980 240 L CA -1.917 52.883 54.840 -0.066 0.000 0.836 240 L CB 2.177 44.181 42.059 -0.093 0.000 1.238 240 L HN 0.389 nan 8.230 nan 0.000 0.408 241 P HA 0.154 nan 4.420 nan 0.000 0.226 241 P C -0.691 176.470 177.300 -0.232 0.000 1.783 241 P CA 0.193 63.119 63.100 -0.290 0.000 0.980 241 P CB -0.450 30.866 31.700 -0.642 0.000 1.967 242 I N -2.610 117.886 120.570 -0.124 0.000 3.145 242 I HA 0.633 4.803 4.170 -0.000 0.000 0.313 242 I C -1.025 175.053 176.117 -0.065 0.000 1.122 242 I CA -1.307 59.950 61.300 -0.072 0.000 0.987 242 I CB 2.486 40.463 38.000 -0.038 0.000 1.236 242 I HN -0.224 nan 8.210 nan 0.000 0.453 243 Q N 2.028 121.794 119.800 -0.056 0.000 2.331 243 Q HA 0.458 4.797 4.340 -0.000 0.000 0.272 243 Q C -1.491 174.352 176.000 -0.261 0.000 1.062 243 Q CA -0.672 55.041 55.803 -0.150 0.000 0.806 243 Q CB 2.544 31.240 28.738 -0.071 0.000 1.312 243 Q HN 0.781 nan 8.270 nan 0.000 0.431 244 S N 2.543 117.972 115.700 -0.451 0.000 2.422 244 S HA 0.508 4.978 4.470 -0.000 0.000 0.308 244 S C -0.575 173.610 174.600 -0.691 0.000 1.097 244 S CA -0.584 57.288 58.200 -0.548 0.000 1.099 244 S CB 0.437 63.118 63.200 -0.864 0.000 0.976 244 S HN 0.334 nan 8.310 nan 0.000 0.471 245 H N 2.031 120.936 119.070 -0.276 0.000 2.731 245 H HA 0.443 4.999 4.556 -0.000 0.000 0.368 245 H C -2.775 172.407 175.328 -0.243 0.000 1.168 245 H CA -2.127 53.767 56.048 -0.257 0.000 1.181 245 H CB 1.611 31.248 29.762 -0.209 0.000 1.743 245 H HN 0.259 nan 8.280 nan 0.000 0.547 246 P HA 0.144 nan 4.420 nan 0.000 0.282 246 P C -0.902 176.337 177.300 -0.101 0.000 1.249 246 P CA -0.513 62.521 63.100 -0.110 0.000 0.806 246 P CB 0.863 32.492 31.700 -0.118 0.000 0.984 247 L N 2.521 123.704 121.223 -0.066 0.000 2.476 247 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 247 L C -0.895 175.921 176.870 -0.090 0.000 0.965 247 L CA -0.294 54.502 54.840 -0.073 0.000 0.845 247 L CB 1.698 43.730 42.059 -0.045 0.000 1.259 247 L HN 0.319 nan 8.230 nan 0.000 0.403 248 Q N 2.892 122.610 119.800 -0.137 0.000 2.214 248 Q HA 0.927 5.267 4.340 -0.000 0.000 0.251 248 Q C -0.907 174.888 176.000 -0.341 0.000 0.936 248 Q CA -0.659 55.007 55.803 -0.228 0.000 0.894 248 Q CB 2.223 30.849 28.738 -0.187 0.000 1.252 248 Q HN 0.843 nan 8.270 nan 0.000 0.448 249 A N 1.121 123.535 122.820 -0.675 0.000 2.593 249 A HA 0.851 5.171 4.320 -0.000 0.000 0.290 249 A C -1.817 175.067 177.584 -1.166 0.000 1.126 249 A CA -0.608 50.924 52.037 -0.841 0.000 0.695 249 A CB 1.299 19.765 19.000 -0.890 0.000 1.290 249 A HN 0.577 nan 8.150 nan 0.000 0.414 250 L N -2.002 118.720 121.223 -0.836 0.000 2.671 250 L HA 0.935 5.275 4.340 -0.000 0.000 0.259 250 L C -0.801 176.031 176.870 -0.064 0.000 1.021 250 L CA -0.836 53.726 54.840 -0.464 0.000 0.871 250 L CB 1.405 43.356 42.059 -0.180 0.000 1.472 250 L HN 1.458 nan 8.230 nan 0.000 0.410 251 V N -2.001 118.029 119.914 0.194 0.000 3.040 251 V HA 0.985 5.104 4.120 -0.000 0.000 0.312 251 V C 0.131 176.311 176.094 0.144 0.000 1.115 251 V CA 0.228 62.653 62.300 0.208 0.000 0.998 251 V CB 1.209 33.218 31.823 0.310 0.000 1.042 251 V HN 1.335 nan 8.190 nan 0.000 0.433 252 S N 1.242 117.006 115.700 0.105 0.000 2.718 252 S HA 0.628 5.098 4.470 -0.000 0.000 0.292 252 S C 0.050 174.723 174.600 0.121 0.000 1.125 252 S CA -0.350 57.930 58.200 0.133 0.000 1.013 252 S CB 1.225 64.510 63.200 0.143 0.000 1.192 252 S HN 1.187 nan 8.310 nan 0.000 0.535 253 E N 0.314 120.577 120.200 0.106 0.000 2.622 253 E HA 0.302 4.652 4.350 -0.000 0.000 0.255 253 E C -0.440 176.035 176.600 -0.208 0.000 1.313 253 E CA -0.705 55.650 56.400 -0.076 0.000 1.011 253 E CB 0.103 29.700 29.700 -0.170 0.000 1.173 253 E HN 0.647 nan 8.360 nan 0.000 0.601 254 L N 0.699 121.744 121.223 -0.296 0.000 2.367 254 L HA 0.300 4.640 4.340 -0.000 0.000 0.275 254 L C -0.392 176.176 176.870 -0.505 0.000 1.129 254 L CA -0.075 54.612 54.840 -0.254 0.000 0.839 254 L CB -0.198 41.769 42.059 -0.154 0.000 1.133 254 L HN 0.378 nan 8.230 nan 0.000 0.453 255 F N 0.401 120.342 119.950 -0.014 0.000 2.613 255 F HA 0.362 4.889 4.527 -0.000 0.000 0.314 255 F C 0.444 176.235 175.800 -0.014 0.000 1.075 255 F CA -0.881 57.114 58.000 -0.009 0.000 0.945 255 F CB 1.543 40.533 39.000 -0.016 0.000 1.310 255 F HN 0.408 nan 8.300 nan 0.000 0.467 256 E N 1.896 122.226 120.200 0.216 0.000 2.404 256 E HA 0.145 4.494 4.350 -0.000 0.000 0.261 256 E C -2.332 174.331 176.600 0.104 0.000 1.074 256 E CA -1.530 54.935 56.400 0.108 0.000 0.917 256 E CB 0.211 29.966 29.700 0.092 0.000 0.965 256 E HN 0.152 nan 8.360 nan 0.000 0.433 257 P HA -0.124 nan 4.420 nan 0.000 0.260 257 P C 0.096 177.439 177.300 0.072 0.000 1.185 257 P CA 0.539 63.669 63.100 0.049 0.000 0.763 257 P CB 0.337 32.047 31.700 0.017 0.000 0.776 258 V N 0.146 120.123 119.914 0.105 0.000 3.332 258 V HA 0.244 4.364 4.120 -0.000 0.000 0.263 258 V C 0.125 176.332 176.094 0.188 0.000 1.562 258 V CA 0.387 62.760 62.300 0.122 0.000 1.040 258 V CB -0.178 31.719 31.823 0.123 0.000 0.857 258 V HN 0.391 nan 8.190 nan 0.000 0.428 259 H N 3.770 122.881 119.070 0.070 0.000 2.725 259 H HA 0.607 5.162 4.556 -0.000 0.000 0.283 259 H C -1.810 173.545 175.328 0.044 0.000 1.110 259 H CA -2.036 54.051 56.048 0.064 0.000 1.289 259 H CB 2.056 31.873 29.762 0.092 0.000 1.400 259 H HN 0.164 nan 8.280 nan 0.000 0.493 260 P HA -0.033 nan 4.420 nan 0.000 0.225 260 P C 0.510 177.704 177.300 -0.176 0.000 1.156 260 P CA 0.563 63.610 63.100 -0.088 0.000 0.787 260 P CB 0.978 32.670 31.700 -0.014 0.000 0.802 261 T N -1.188 113.171 114.554 -0.325 0.000 2.724 261 T HA 0.449 4.799 4.350 -0.000 0.000 0.274 261 T C -1.067 173.426 174.700 -0.346 0.000 0.984 261 T CA -0.686 61.287 62.100 -0.212 0.000 1.024 261 T CB 1.324 70.200 68.868 0.013 0.000 1.320 261 T HN -0.348 nan 8.240 nan 0.000 0.555 262 V N 2.137 122.019 119.914 -0.052 0.000 2.427 262 V HA 0.610 4.730 4.120 -0.000 0.000 0.286 262 V C -0.390 175.835 176.094 0.217 0.000 1.034 262 V CA -0.545 61.796 62.300 0.067 0.000 0.893 262 V CB 1.345 33.210 31.823 0.071 0.000 0.982 262 V HN 0.639 nan 8.190 nan 0.000 0.452 263 V N 6.417 126.544 119.914 0.355 0.000 2.448 263 V HA 0.574 4.694 4.120 -0.000 0.000 0.295 263 V C -0.178 176.110 176.094 0.325 0.000 1.025 263 V CA -0.389 62.132 62.300 0.368 0.000 0.859 263 V CB 1.716 33.871 31.823 0.554 0.000 0.988 263 V HN 0.852 nan 8.190 nan 0.000 0.431 264 M N 3.582 123.348 119.600 0.276 0.000 2.393 264 M HA 0.588 5.068 4.480 -0.000 0.000 0.299 264 M C -0.672 175.756 176.300 0.214 0.000 1.103 264 M CA -0.355 55.150 55.300 0.341 0.000 0.910 264 M CB 2.372 35.214 32.600 0.405 0.000 1.659 264 M HN 0.565 nan 8.290 nan 0.000 0.445 265 S N 1.408 117.157 115.700 0.082 0.000 2.750 265 S HA 0.396 4.866 4.470 -0.000 0.000 0.276 265 S C -0.256 174.320 174.600 -0.039 0.000 1.165 265 S CA -0.707 57.535 58.200 0.070 0.000 1.047 265 S CB 0.793 64.042 63.200 0.082 0.000 1.056 265 S HN 0.907 nan 8.310 nan 0.000 0.481 266 N N 2.716 121.477 118.700 0.102 0.000 2.250 266 N HA -0.087 4.652 4.740 -0.000 0.000 0.181 266 N C 1.556 176.963 175.510 -0.172 0.000 1.017 266 N CA 0.401 53.505 53.050 0.089 0.000 0.866 266 N CB -0.218 38.365 38.487 0.160 0.000 0.985 266 N HN 0.704 nan 8.380 nan 0.000 0.429 267 H N 1.521 120.429 119.070 -0.270 0.000 2.387 267 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 267 H C 1.843 176.733 175.328 -0.729 0.000 1.090 267 H CA 1.211 56.979 56.048 -0.468 0.000 1.332 267 H CB 0.258 29.791 29.762 -0.381 0.000 1.386 267 H HN 0.310 nan 8.280 nan 0.000 0.516 268 I N -2.864 117.322 120.570 -0.640 0.000 4.018 268 I HA 0.095 4.265 4.170 -0.000 0.000 0.337 268 I C -0.605 175.252 176.117 -0.434 0.000 1.327 268 I CA -0.160 60.809 61.300 -0.552 0.000 1.100 268 I CB 0.162 37.927 38.000 -0.392 0.000 1.025 268 I HN 0.051 nan 8.210 nan 0.000 0.396 269 H N 0.722 119.651 119.070 -0.236 0.000 2.794 269 H HA -0.066 4.490 4.556 -0.000 0.000 0.334 269 H C -0.964 174.089 175.328 -0.458 0.000 1.154 269 H CA 0.403 56.272 56.048 -0.298 0.000 1.129 269 H CB -1.634 28.040 29.762 -0.147 0.000 1.600 269 H HN 0.312 nan 8.280 nan 0.000 0.410 270 V N 2.530 122.041 119.914 -0.670 0.000 2.668 270 V HA 0.426 4.546 4.120 -0.000 0.000 0.304 270 V C -0.738 174.937 176.094 -0.698 0.000 1.071 270 V CA -0.804 61.199 62.300 -0.495 0.000 0.894 270 V CB 2.236 33.987 31.823 -0.120 0.000 1.008 270 V HN 0.348 nan 8.190 nan 0.000 0.425 271 Y N 3.477 123.854 120.300 0.129 0.000 2.331 271 Y HA 0.809 5.359 4.550 -0.000 0.000 0.326 271 Y C -0.318 175.652 175.900 0.117 0.000 1.020 271 Y CA -0.923 57.251 58.100 0.125 0.000 1.136 271 Y CB 2.161 40.672 38.460 0.085 0.000 1.157 271 Y HN 0.455 nan 8.280 nan 0.000 0.444 272 V N 2.669 122.744 119.914 0.268 0.000 3.120 272 V HA 0.901 5.021 4.120 -0.000 0.000 0.303 272 V C -1.300 174.952 176.094 0.263 0.000 1.238 272 V CA -0.304 62.111 62.300 0.191 0.000 1.008 272 V CB 2.447 34.318 31.823 0.080 0.000 1.064 272 V HN 0.883 nan 8.190 nan 0.000 0.434 273 S N 4.011 119.827 115.700 0.194 0.000 2.625 273 S HA 0.638 5.108 4.470 -0.000 0.000 0.271 273 S C -1.281 173.395 174.600 0.127 0.000 1.161 273 S CA -0.706 57.589 58.200 0.158 0.000 0.820 273 S CB 1.994 65.222 63.200 0.047 0.000 1.137 273 S HN 1.058 nan 8.310 nan 0.000 0.470 274 Q N 1.051 120.892 119.800 0.068 0.000 2.381 274 Q HA 0.648 4.988 4.340 -0.000 0.000 0.263 274 Q C -0.131 175.885 176.000 0.027 0.000 1.030 274 Q CA -0.817 55.017 55.803 0.051 0.000 0.772 274 Q CB 1.349 30.136 28.738 0.082 0.000 1.232 274 Q HN 1.058 nan 8.270 nan 0.000 0.476 275 A N 2.845 125.686 122.820 0.036 0.000 2.492 275 A HA -0.090 4.230 4.320 -0.000 0.000 0.236 275 A C 0.846 178.467 177.584 0.061 0.000 1.078 275 A CA 0.196 52.262 52.037 0.049 0.000 0.773 275 A CB 0.117 19.144 19.000 0.046 0.000 1.023 275 A HN 1.052 nan 8.150 nan 0.000 0.504 276 H N 0.834 119.908 119.070 0.007 0.000 2.387 276 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 276 H C 1.717 177.057 175.328 0.020 0.000 1.099 276 H CA 2.318 58.372 56.048 0.009 0.000 1.315 276 H CB 0.121 29.886 29.762 0.005 0.000 1.380 276 H HN 0.796 nan 8.280 nan 0.000 0.513 277 K N -0.431 120.015 120.400 0.076 0.000 2.280 277 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 277 K C 1.120 177.700 176.600 -0.034 0.000 1.047 277 K CA 1.095 57.402 56.287 0.033 0.000 0.942 277 K CB 0.080 32.629 32.500 0.082 0.000 0.739 277 K HN 0.564 nan 8.250 nan 0.000 0.457 278 G N 0.820 109.605 108.800 -0.024 0.000 2.229 278 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.189 278 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.189 278 G C -0.378 174.552 174.900 0.051 0.000 1.000 278 G CA 0.118 45.218 45.100 -0.000 0.000 0.663 278 G HN 0.438 nan 8.290 nan 0.000 0.493 279 E N 1.949 122.176 120.200 0.044 0.000 2.277 279 E HA 0.559 4.908 4.350 -0.000 0.000 0.274 279 E C 0.016 176.644 176.600 0.046 0.000 1.022 279 E CA -0.794 55.645 56.400 0.065 0.000 0.853 279 E CB 1.260 30.996 29.700 0.060 0.000 1.086 279 E HN 0.344 nan 8.360 nan 0.000 0.397 280 L N 2.037 123.266 121.223 0.010 0.000 2.380 280 L HA 0.217 4.557 4.340 -0.000 0.000 0.273 280 L C -0.221 176.649 176.870 -0.001 0.000 1.138 280 L CA -0.764 54.029 54.840 -0.078 0.000 0.832 280 L CB 1.088 42.963 42.059 -0.308 0.000 1.124 280 L HN 0.334 nan 8.230 nan 0.000 0.454 281 V N 5.114 125.044 119.914 0.027 0.000 2.378 281 V HA 0.437 4.557 4.120 -0.000 0.000 0.288 281 V C -0.085 176.042 176.094 0.054 0.000 1.016 281 V CA -0.314 62.035 62.300 0.082 0.000 0.840 281 V CB 1.569 33.452 31.823 0.099 0.000 0.994 281 V HN 0.742 nan 8.190 nan 0.000 0.431 282 M N 3.984 123.595 119.600 0.019 0.000 2.395 282 M HA 0.835 5.315 4.480 -0.000 0.000 0.307 282 M C -0.143 176.145 176.300 -0.020 0.000 1.091 282 M CA -0.224 55.084 55.300 0.014 0.000 0.919 282 M CB 2.216 34.802 32.600 -0.023 0.000 1.662 282 M HN 0.772 nan 8.290 nan 0.000 0.440 283 G N 1.827 110.676 108.800 0.081 0.000 2.680 283 G HA2 0.920 4.880 3.960 -0.000 0.000 0.290 283 G HA3 0.920 4.880 3.960 -0.000 0.000 0.290 283 G C -1.828 173.230 174.900 0.265 0.000 1.355 283 G CA -0.201 44.946 45.100 0.078 0.000 0.903 283 G HN 0.989 nan 8.290 nan 0.000 0.474 284 A N -0.938 122.008 122.820 0.211 0.000 4.431 284 A HA 0.936 5.256 4.320 -0.000 0.000 0.247 284 A C 0.602 178.330 177.584 0.239 0.000 0.974 284 A CA 0.137 52.361 52.037 0.311 0.000 0.633 284 A CB 0.144 19.184 19.000 0.068 0.000 1.698 284 A HN 1.976 nan 8.150 nan 0.000 0.843 285 G N -0.494 108.378 108.800 0.121 0.000 2.614 285 G HA2 0.436 4.396 3.960 -0.000 0.000 0.239 285 G HA3 0.436 4.396 3.960 -0.000 0.000 0.239 285 G C 0.103 174.970 174.900 -0.053 0.000 1.240 285 G CA 0.058 45.168 45.100 0.016 0.000 0.842 285 G HN 0.799 nan 8.290 nan 0.000 0.584 286 I N -0.333 120.188 120.570 -0.081 0.000 2.886 286 I HA 0.143 4.312 4.170 -0.000 0.000 0.299 286 I C -0.250 175.762 176.117 -0.176 0.000 1.044 286 I CA -0.717 60.507 61.300 -0.126 0.000 1.310 286 I CB 0.958 38.872 38.000 -0.144 0.000 1.441 286 I HN 0.329 nan 8.210 nan 0.000 0.578 287 D N 3.856 124.118 120.400 -0.230 0.000 2.295 287 D HA 0.063 4.702 4.640 -0.000 0.000 0.248 287 D C 1.114 177.179 176.300 -0.392 0.000 1.154 287 D CA 0.147 53.939 54.000 -0.347 0.000 0.857 287 D CB 1.681 42.151 40.800 -0.549 0.000 1.117 287 D HN 0.654 nan 8.370 nan 0.000 0.468 288 S N 3.075 118.622 115.700 -0.255 0.000 2.374 288 S HA -0.219 4.251 4.470 -0.000 0.000 0.227 288 S C 1.045 175.657 174.600 0.018 0.000 1.037 288 S CA 0.912 59.028 58.200 -0.140 0.000 1.024 288 S CB -0.580 62.623 63.200 0.006 0.000 0.861 288 S HN 0.579 nan 8.310 nan 0.000 0.456 289 Y N 1.588 121.983 120.300 0.158 0.000 2.298 289 Y HA 0.672 5.222 4.550 -0.000 0.000 0.329 289 Y C 0.016 176.022 175.900 0.176 0.000 1.293 289 Y CA -1.926 56.273 58.100 0.165 0.000 1.388 289 Y CB -0.174 38.339 38.460 0.088 0.000 1.309 289 Y HN -0.130 nan 8.280 nan 0.000 0.544 290 N N 0.525 119.335 118.700 0.184 0.000 2.497 290 N HA 0.539 5.279 4.740 -0.000 0.000 0.271 290 N C -0.361 175.208 175.510 0.100 0.000 1.142 290 N CA 0.254 53.250 53.050 -0.090 0.000 0.965 290 N CB 1.322 39.754 38.487 -0.092 0.000 1.077 290 N HN 1.020 nan 8.380 nan 0.000 0.462 291 G N 0.411 109.159 108.800 -0.087 0.000 2.755 291 G HA2 0.385 4.345 3.960 -0.000 0.000 0.297 291 G HA3 0.385 4.345 3.960 -0.000 0.000 0.297 291 G C -1.266 173.551 174.900 -0.139 0.000 1.441 291 G CA -0.475 44.661 45.100 0.059 0.000 0.964 291 G HN 0.530 nan 8.290 nan 0.000 0.540 292 Y N 1.120 121.425 120.300 0.007 0.000 2.612 292 Y HA 0.281 4.831 4.550 -0.000 0.000 0.250 292 Y C 2.118 178.038 175.900 0.034 0.000 1.175 292 Y CA 0.240 58.325 58.100 -0.026 0.000 1.205 292 Y CB 1.687 40.111 38.460 -0.060 0.000 1.201 292 Y HN 0.685 nan 8.280 nan 0.000 0.532 293 G N -0.619 108.292 108.800 0.185 0.000 2.813 293 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.209 293 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.209 293 G C 0.659 175.643 174.900 0.140 0.000 1.150 293 G CA 0.108 45.303 45.100 0.158 0.000 0.785 293 G HN 0.410 nan 8.290 nan 0.000 0.535 294 Q N -0.867 119.004 119.800 0.118 0.000 2.481 294 Q HA -0.218 4.122 4.340 -0.000 0.000 0.272 294 Q C 0.270 176.348 176.000 0.129 0.000 1.157 294 Q CA 1.237 57.112 55.803 0.120 0.000 0.935 294 Q CB -1.666 27.161 28.738 0.149 0.000 1.338 294 Q HN 0.885 nan 8.270 nan 0.000 0.494 295 R N -2.110 118.457 120.500 0.112 0.000 2.752 295 R HA 0.854 5.193 4.340 -0.000 0.000 0.271 295 R C -0.488 175.877 176.300 0.109 0.000 1.026 295 R CA -0.385 55.782 56.100 0.111 0.000 0.901 295 R CB 1.465 31.839 30.300 0.124 0.000 1.243 295 R HN 0.073 nan 8.270 nan 0.000 0.463 296 G N -0.318 108.539 108.800 0.096 0.000 2.645 296 G HA2 0.601 4.561 3.960 -0.000 0.000 0.292 296 G HA3 0.601 4.561 3.960 -0.000 0.000 0.292 296 G C -1.412 173.534 174.900 0.077 0.000 1.415 296 G CA -0.589 44.576 45.100 0.109 0.000 0.785 296 G HN 0.722 nan 8.290 nan 0.000 0.483 297 A N -0.569 122.273 122.820 0.037 0.000 2.445 297 A HA 0.486 4.806 4.320 -0.000 0.000 0.242 297 A C 0.739 178.247 177.584 -0.127 0.000 1.075 297 A CA -0.101 51.912 52.037 -0.040 0.000 0.777 297 A CB 0.190 19.124 19.000 -0.111 0.000 1.013 297 A HN 1.117 nan 8.150 nan 0.000 0.493 298 F N 1.572 121.447 119.950 -0.124 0.000 2.325 298 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 298 F C 2.146 177.895 175.800 -0.086 0.000 1.090 298 F CA 2.255 60.206 58.000 -0.082 0.000 1.392 298 F CB -0.452 38.547 39.000 -0.002 0.000 1.053 298 F HN 0.893 nan 8.300 nan 0.000 0.521 299 H N -2.141 116.920 119.070 -0.015 0.000 2.489 299 H HA -0.106 4.449 4.556 -0.000 0.000 0.295 299 H C 1.902 177.124 175.328 -0.176 0.000 1.082 299 H CA 1.555 57.545 56.048 -0.097 0.000 1.295 299 H CB -1.456 28.304 29.762 -0.003 0.000 1.380 299 H HN 0.187 nan 8.280 nan 0.000 0.548 300 V N 1.057 120.712 119.914 -0.431 0.000 2.427 300 V HA -0.193 3.926 4.120 -0.000 0.000 0.248 300 V C 2.366 178.294 176.094 -0.276 0.000 1.051 300 V CA 1.393 63.532 62.300 -0.268 0.000 1.048 300 V CB -0.352 31.299 31.823 -0.287 0.000 0.666 300 V HN 0.435 nan 8.190 nan 0.000 0.456 301 I N 0.028 120.328 120.570 -0.450 0.000 2.286 301 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 301 I C 2.490 178.341 176.117 -0.443 0.000 1.104 301 I CA 1.440 62.446 61.300 -0.489 0.000 1.397 301 I CB -1.238 36.300 38.000 -0.770 0.000 1.072 301 I HN 0.434 nan 8.210 nan 0.000 0.417 302 E N 0.903 120.768 120.200 -0.558 0.000 2.118 302 E HA -0.241 4.108 4.350 -0.000 0.000 0.195 302 E C 2.033 178.556 176.600 -0.129 0.000 0.992 302 E CA 1.314 57.545 56.400 -0.280 0.000 0.804 302 E CB -0.090 29.509 29.700 -0.169 0.000 0.741 302 E HN 0.556 nan 8.360 nan 0.000 0.458 303 E N 0.686 120.821 120.200 -0.108 0.000 2.077 303 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 303 E C 2.230 178.806 176.600 -0.039 0.000 0.989 303 E CA 1.359 57.731 56.400 -0.046 0.000 0.800 303 E CB -0.091 29.594 29.700 -0.025 0.000 0.746 303 E HN 0.393 nan 8.360 nan 0.000 0.452 304 Q N -0.108 119.652 119.800 -0.066 0.000 2.311 304 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 304 Q C 1.973 177.958 176.000 -0.024 0.000 0.954 304 Q CA 0.681 56.459 55.803 -0.042 0.000 0.885 304 Q CB -0.009 28.695 28.738 -0.056 0.000 0.963 304 Q HN 0.191 nan 8.270 nan 0.000 0.471 305 M N 1.087 120.662 119.600 -0.042 0.000 2.156 305 M HA -0.013 4.467 4.480 -0.000 0.000 0.264 305 M C 2.321 178.629 176.300 0.013 0.000 1.067 305 M CA 1.569 56.864 55.300 -0.008 0.000 1.131 305 M CB -0.958 31.629 32.600 -0.022 0.000 1.368 305 M HN 0.436 nan 8.290 nan 0.000 0.416 306 A N 0.192 123.010 122.820 -0.004 0.000 1.902 306 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 306 A C 2.372 179.952 177.584 -0.006 0.000 1.181 306 A CA 2.114 54.150 52.037 -0.002 0.000 0.623 306 A CB -0.841 18.154 19.000 -0.008 0.000 0.818 306 A HN 0.481 nan 8.150 nan 0.000 0.443 307 A N -0.449 122.365 122.820 -0.010 0.000 1.968 307 A HA 0.293 4.613 4.320 -0.000 0.000 0.217 307 A C 2.438 180.022 177.584 0.000 0.000 1.169 307 A CA 1.681 53.700 52.037 -0.030 0.000 0.638 307 A CB -0.811 18.157 19.000 -0.054 0.000 0.812 307 A HN 0.964 nan 8.150 nan 0.000 0.446 308 A N -0.469 122.393 122.820 0.071 0.000 1.898 308 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 308 A C 2.154 179.866 177.584 0.214 0.000 1.181 308 A CA 1.730 53.901 52.037 0.223 0.000 0.620 308 A CB -0.750 18.393 19.000 0.240 0.000 0.819 308 A HN 0.366 nan 8.150 nan 0.000 0.442 309 V N 0.115 120.094 119.914 0.109 0.000 2.548 309 V HA -0.147 3.973 4.120 -0.000 0.000 0.249 309 V C 2.466 178.548 176.094 -0.019 0.000 1.055 309 V CA 1.795 64.133 62.300 0.065 0.000 1.065 309 V CB -0.632 31.216 31.823 0.043 0.000 0.681 309 V HN 0.477 nan 8.190 nan 0.000 0.462 310 E N -0.057 120.116 120.200 -0.045 0.000 2.072 310 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 310 E C 2.114 178.614 176.600 -0.166 0.000 0.985 310 E CA 1.033 57.380 56.400 -0.089 0.000 0.801 310 E CB -0.240 29.414 29.700 -0.077 0.000 0.750 310 E HN 0.406 nan 8.360 nan 0.000 0.452 311 L N -0.525 120.556 121.223 -0.237 0.000 2.109 311 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 311 L C 0.430 176.805 176.870 -0.825 0.000 1.086 311 L CA 1.223 55.750 54.840 -0.521 0.000 0.760 311 L CB 0.075 41.756 42.059 -0.629 0.000 0.910 311 L HN -0.080 nan 8.230 nan 0.000 0.437 312 F N -0.771 118.997 119.950 -0.304 0.000 2.453 312 F HA 0.372 4.899 4.527 -0.000 0.000 0.358 312 F C -1.646 173.910 175.800 -0.407 0.000 1.129 312 F CA -2.078 55.583 58.000 -0.564 0.000 1.200 312 F CB 0.406 38.636 39.000 -1.282 0.000 1.431 312 F HN -0.118 nan 8.300 nan 0.000 0.503 313 P HA -0.218 nan 4.420 nan 0.000 0.217 313 P C 2.047 179.304 177.300 -0.070 0.000 1.148 313 P CA 1.372 64.417 63.100 -0.092 0.000 0.828 313 P CB 0.400 32.043 31.700 -0.094 0.000 0.783 314 I N -2.148 118.351 120.570 -0.118 0.000 2.756 314 I HA -0.169 4.000 4.170 -0.000 0.000 0.262 314 I C 0.922 177.083 176.117 0.073 0.000 1.225 314 I CA 0.937 62.201 61.300 -0.060 0.000 1.472 314 I CB -0.085 37.865 38.000 -0.082 0.000 1.094 314 I HN -0.168 nan 8.210 nan 0.000 0.454 315 F N 0.961 120.848 119.950 -0.105 0.000 2.811 315 F HA 0.180 4.707 4.527 -0.000 0.000 0.301 315 F C 2.381 178.090 175.800 -0.151 0.000 1.151 315 F CA 0.115 58.011 58.000 -0.172 0.000 1.412 315 F CB -1.616 37.307 39.000 -0.128 0.000 1.113 315 F HN 0.084 nan 8.300 nan 0.000 0.579 316 A N 0.831 123.689 122.820 0.062 0.000 1.903 316 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 316 A C 2.115 179.663 177.584 -0.060 0.000 1.191 316 A CA 1.507 53.547 52.037 0.005 0.000 0.638 316 A CB -0.441 18.554 19.000 -0.007 0.000 0.823 316 A HN 0.304 nan 8.150 nan 0.000 0.451 317 R N -0.744 119.685 120.500 -0.118 0.000 2.694 317 R HA 0.441 4.781 4.340 -0.000 0.000 0.334 317 R C 0.054 176.061 176.300 -0.488 0.000 1.143 317 R CA 0.311 56.270 56.100 -0.236 0.000 1.073 317 R CB 0.080 30.320 30.300 -0.100 0.000 1.366 317 R HN 0.454 nan 8.270 nan 0.000 0.577 318 A N 0.774 123.353 122.820 -0.403 0.000 2.322 318 A HA 0.376 4.695 4.320 -0.000 0.000 0.269 318 A C -0.694 176.669 177.584 -0.369 0.000 1.094 318 A CA -0.278 51.519 52.037 -0.401 0.000 0.807 318 A CB 0.253 19.004 19.000 -0.415 0.000 1.047 318 A HN 0.383 nan 8.150 nan 0.000 0.487 319 H N -0.465 118.725 119.070 0.201 0.000 2.524 319 H HA 0.452 5.008 4.556 -0.000 0.000 0.353 319 H C -0.511 174.886 175.328 0.115 0.000 1.136 319 H CA -0.799 55.332 56.048 0.138 0.000 1.193 319 H CB 1.480 31.323 29.762 0.134 0.000 1.558 319 H HN 0.352 nan 8.280 nan 0.000 0.515 320 V N 3.650 123.687 119.914 0.204 0.000 2.479 320 V HA -0.083 4.037 4.120 -0.000 0.000 0.281 320 V C 0.768 176.963 176.094 0.169 0.000 1.031 320 V CA 0.257 62.653 62.300 0.159 0.000 1.038 320 V CB 0.606 32.527 31.823 0.164 0.000 0.981 320 V HN 0.648 nan 8.190 nan 0.000 0.478 321 L N 5.240 126.556 121.223 0.155 0.000 2.357 321 L HA 0.434 4.774 4.340 -0.000 0.000 0.211 321 L C 0.880 177.835 176.870 0.141 0.000 1.075 321 L CA 1.134 56.053 54.840 0.131 0.000 0.830 321 L CB 0.006 42.133 42.059 0.113 0.000 0.996 321 L HN 0.695 nan 8.230 nan 0.000 0.467 322 R N -0.892 119.722 120.500 0.191 0.000 2.604 322 R HA 0.450 4.790 4.340 -0.000 0.000 0.261 322 R C -1.473 175.014 176.300 0.312 0.000 1.080 322 R CA 0.197 56.443 56.100 0.243 0.000 0.917 322 R CB 1.222 31.678 30.300 0.262 0.000 1.252 322 R HN 0.175 nan 8.270 nan 0.000 0.456 323 T N -0.289 114.438 114.554 0.288 0.000 2.916 323 T HA 0.857 5.206 4.350 -0.000 0.000 0.292 323 T C -0.813 174.089 174.700 0.336 0.000 1.055 323 T CA -0.596 61.605 62.100 0.169 0.000 1.009 323 T CB 1.492 70.422 68.868 0.102 0.000 1.118 323 T HN 0.718 nan 8.240 nan 0.000 0.497 324 W N -0.104 121.244 121.300 0.080 0.000 2.871 324 W HA 0.819 5.479 4.660 -0.000 0.000 0.416 324 W C -0.850 175.705 176.519 0.060 0.000 1.108 324 W CA -0.910 56.480 57.345 0.074 0.000 1.179 324 W CB 0.515 30.022 29.460 0.077 0.000 1.479 324 W HN 1.055 nan 8.180 nan 0.000 0.598 325 G N -0.567 108.421 108.800 0.313 0.000 2.682 325 G HA2 0.659 4.618 3.960 -0.000 0.000 0.290 325 G HA3 0.659 4.618 3.960 -0.000 0.000 0.290 325 G C -1.309 173.743 174.900 0.254 0.000 1.425 325 G CA -0.150 45.038 45.100 0.148 0.000 0.807 325 G HN 1.318 nan 8.290 nan 0.000 0.482 326 G N -1.547 107.333 108.800 0.133 0.000 3.086 326 G HA2 0.636 4.596 3.960 -0.000 0.000 0.282 326 G HA3 0.636 4.596 3.960 -0.000 0.000 0.282 326 G C -1.372 173.543 174.900 0.024 0.000 1.343 326 G CA -0.797 44.364 45.100 0.102 0.000 0.895 326 G HN 0.723 nan 8.290 nan 0.000 0.557 327 I N 1.433 121.996 120.570 -0.012 0.000 2.466 327 I HA 0.313 4.483 4.170 -0.000 0.000 0.279 327 I C -0.260 175.798 176.117 -0.099 0.000 1.033 327 I CA -0.920 60.316 61.300 -0.107 0.000 1.123 327 I CB 1.721 39.628 38.000 -0.156 0.000 1.237 327 I HN 0.320 nan 8.210 nan 0.000 0.460 328 V N 2.282 122.146 119.914 -0.083 0.000 2.394 328 V HA 0.491 4.611 4.120 -0.000 0.000 0.282 328 V C -0.278 175.791 176.094 -0.041 0.000 1.031 328 V CA -0.533 61.747 62.300 -0.032 0.000 0.881 328 V CB 1.507 33.336 31.823 0.010 0.000 0.982 328 V HN 0.690 nan 8.190 nan 0.000 0.451 329 D N 3.381 123.773 120.400 -0.014 0.000 2.380 329 D HA 0.298 4.938 4.640 -0.000 0.000 0.230 329 D C 0.410 176.737 176.300 0.045 0.000 1.154 329 D CA -0.068 53.927 54.000 -0.009 0.000 0.859 329 D CB 1.344 42.147 40.800 0.004 0.000 1.045 329 D HN 0.797 nan 8.370 nan 0.000 0.495 330 T N -0.397 114.196 114.554 0.066 0.000 2.943 330 T HA 0.637 4.987 4.350 -0.000 0.000 0.284 330 T C 0.478 175.212 174.700 0.057 0.000 1.015 330 T CA -0.703 61.442 62.100 0.076 0.000 1.042 330 T CB 1.664 70.590 68.868 0.098 0.000 1.055 330 T HN 0.461 nan 8.240 nan 0.000 0.500 331 T N -0.063 114.525 114.554 0.058 0.000 2.950 331 T HA 0.413 4.762 4.350 -0.000 0.000 0.288 331 T C 1.575 176.342 174.700 0.111 0.000 1.035 331 T CA -1.185 60.952 62.100 0.061 0.000 1.028 331 T CB 1.194 70.153 68.868 0.151 0.000 1.109 331 T HN 0.476 nan 8.240 nan 0.000 0.514 332 M N 1.452 121.122 119.600 0.117 0.000 2.202 332 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 332 M C 1.092 177.592 176.300 0.333 0.000 1.063 332 M CA 1.608 57.025 55.300 0.196 0.000 1.097 332 M CB -1.033 31.661 32.600 0.157 0.000 1.382 332 M HN 0.851 nan 8.290 nan 0.000 0.413 333 D N -1.053 119.553 120.400 0.344 0.000 2.402 333 D HA 0.335 4.975 4.640 -0.000 0.000 0.216 333 D C 0.816 177.160 176.300 0.073 0.000 1.128 333 D CA 0.574 54.772 54.000 0.330 0.000 0.833 333 D CB -0.174 40.768 40.800 0.236 0.000 0.971 333 D HN 0.221 nan 8.370 nan 0.000 0.503 334 A N -0.870 121.920 122.820 -0.051 0.000 2.945 334 A HA -0.198 4.122 4.320 -0.000 0.000 0.263 334 A C 0.600 178.179 177.584 -0.009 0.000 1.293 334 A CA 1.023 52.970 52.037 -0.149 0.000 0.944 334 A CB -2.296 16.405 19.000 -0.498 0.000 1.093 334 A HN 0.319 nan 8.150 nan 0.000 0.786 335 S N 1.039 116.767 115.700 0.047 0.000 2.549 335 S HA 0.692 5.161 4.470 -0.000 0.000 0.297 335 S C -1.943 172.567 174.600 -0.149 0.000 1.115 335 S CA -0.881 57.318 58.200 -0.003 0.000 1.059 335 S CB 1.749 65.058 63.200 0.180 0.000 1.046 335 S HN 0.471 nan 8.310 nan 0.000 0.506 336 P HA 0.323 nan 4.420 nan 0.000 0.275 336 P C -1.002 176.065 177.300 -0.388 0.000 1.266 336 P CA -0.295 62.309 63.100 -0.825 0.000 0.793 336 P CB 0.602 30.966 31.700 -2.227 0.000 1.074 337 I N 1.102 121.520 120.570 -0.253 0.000 2.466 337 I HA 0.292 4.462 4.170 -0.000 0.000 0.279 337 I C -0.404 175.743 176.117 0.050 0.000 1.033 337 I CA -0.513 60.795 61.300 0.013 0.000 1.123 337 I CB 0.852 38.931 38.000 0.132 0.000 1.237 337 I HN 0.099 nan 8.210 nan 0.000 0.460 338 I N 6.180 126.796 120.570 0.076 0.000 2.537 338 I HA 0.351 4.521 4.170 -0.000 0.000 0.276 338 I C 0.133 176.336 176.117 0.143 0.000 1.063 338 I CA 0.118 61.498 61.300 0.134 0.000 1.144 338 I CB 1.040 39.116 38.000 0.128 0.000 1.252 338 I HN 0.538 nan 8.210 nan 0.000 0.480 339 S N 3.497 119.287 115.700 0.150 0.000 2.752 339 S HA 0.689 5.159 4.470 -0.000 0.000 0.284 339 S C -0.690 174.004 174.600 0.156 0.000 1.189 339 S CA -1.164 57.119 58.200 0.139 0.000 0.835 339 S CB 1.481 64.743 63.200 0.104 0.000 1.192 339 S HN 0.297 nan 8.310 nan 0.000 0.506 340 K N 0.536 121.015 120.400 0.132 0.000 2.117 340 K HA 0.632 4.952 4.320 -0.000 0.000 0.240 340 K C 0.152 176.671 176.600 -0.135 0.000 1.031 340 K CA -0.271 56.050 56.287 0.057 0.000 0.909 340 K CB 0.592 33.133 32.500 0.068 0.000 1.097 340 K HN 0.868 nan 8.250 nan 0.000 0.492 341 T N -3.233 111.128 114.554 -0.322 0.000 2.887 341 T HA 0.306 4.655 4.350 -0.000 0.000 0.292 341 T C -2.287 172.194 174.700 -0.366 0.000 1.087 341 T CA -1.895 59.913 62.100 -0.487 0.000 1.009 341 T CB 1.457 69.698 68.868 -1.045 0.000 1.203 341 T HN 0.183 nan 8.240 nan 0.000 0.518 342 P HA 0.129 nan 4.420 nan 0.000 0.226 342 P C -0.031 177.158 177.300 -0.186 0.000 1.146 342 P CA 0.619 63.614 63.100 -0.174 0.000 0.773 342 P CB -0.011 31.636 31.700 -0.088 0.000 0.772 343 I N -0.025 120.373 120.570 -0.287 0.000 2.353 343 I HA 0.203 4.373 4.170 -0.000 0.000 0.293 343 I C 0.675 176.632 176.117 -0.266 0.000 0.992 343 I CA -1.391 59.766 61.300 -0.239 0.000 1.268 343 I CB 0.612 38.456 38.000 -0.259 0.000 1.387 343 I HN -0.102 nan 8.210 nan 0.000 0.478 344 Q N 6.168 125.856 119.800 -0.187 0.000 2.337 344 Q HA 0.077 4.417 4.340 -0.000 0.000 0.270 344 Q C 0.324 176.190 176.000 -0.224 0.000 1.002 344 Q CA 0.694 56.388 55.803 -0.182 0.000 0.888 344 Q CB 0.313 28.991 28.738 -0.101 0.000 1.222 344 Q HN 0.524 nan 8.270 nan 0.000 0.400 345 N N 1.061 119.581 118.700 -0.300 0.000 2.800 345 N HA -0.229 4.511 4.740 -0.000 0.000 0.250 345 N C -1.285 173.920 175.510 -0.509 0.000 1.078 345 N CA 0.964 53.832 53.050 -0.304 0.000 0.804 345 N CB -1.381 37.068 38.487 -0.065 0.000 1.135 345 N HN 0.492 nan 8.380 nan 0.000 0.565 346 L N 0.972 121.768 121.223 -0.710 0.000 2.305 346 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 346 L C -0.929 175.476 176.870 -0.775 0.000 1.013 346 L CA -0.774 53.737 54.840 -0.548 0.000 0.819 346 L CB 0.743 42.571 42.059 -0.386 0.000 1.227 346 L HN 0.040 nan 8.230 nan 0.000 0.417 347 Y N 3.634 123.902 120.300 -0.053 0.000 2.509 347 Y HA 0.747 5.297 4.550 -0.000 0.000 0.341 347 Y C -0.350 175.561 175.900 0.017 0.000 1.038 347 Y CA -0.917 57.163 58.100 -0.035 0.000 1.089 347 Y CB 2.124 40.587 38.460 0.005 0.000 1.241 347 Y HN 0.381 nan 8.280 nan 0.000 0.468 348 V N 3.202 123.228 119.914 0.186 0.000 2.709 348 V HA 0.511 4.630 4.120 -0.000 0.000 0.308 348 V C -1.420 174.805 176.094 0.219 0.000 1.062 348 V CA -0.630 61.797 62.300 0.211 0.000 0.901 348 V CB 1.880 33.864 31.823 0.268 0.000 1.003 348 V HN 0.938 nan 8.190 nan 0.000 0.425 349 N N 5.890 124.730 118.700 0.234 0.000 2.491 349 N HA 0.635 5.375 4.740 -0.000 0.000 0.274 349 N C -0.826 174.868 175.510 0.308 0.000 1.023 349 N CA -0.053 53.168 53.050 0.284 0.000 0.902 349 N CB 1.787 40.456 38.487 0.304 0.000 1.267 349 N HN 1.039 nan 8.380 nan 0.000 0.503 350 C N -0.172 119.299 119.300 0.285 0.000 3.254 350 C HA 0.806 5.265 4.460 -0.000 0.000 0.374 350 C C 1.288 176.360 174.990 0.136 0.000 1.710 350 C CA 0.168 59.336 59.018 0.251 0.000 1.149 350 C CB 0.470 28.309 27.740 0.166 0.000 2.019 350 C HN 0.793 nan 8.230 nan 0.000 0.427 351 G N -0.503 108.360 108.800 0.105 0.000 2.168 351 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 351 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 351 G C 0.228 175.116 174.900 -0.020 0.000 0.977 351 G CA 1.020 46.135 45.100 0.025 0.000 0.659 351 G HN 1.115 nan 8.290 nan 0.000 0.533 352 W N 0.694 122.022 121.300 0.045 0.000 2.595 352 W HA 0.335 4.995 4.660 -0.000 0.000 0.257 352 W C 2.279 178.835 176.519 0.061 0.000 1.267 352 W CA 1.390 58.770 57.345 0.058 0.000 1.300 352 W CB -0.162 29.362 29.460 0.108 0.000 1.120 352 W HN 0.942 nan 8.180 nan 0.000 0.618 353 G N 1.057 109.986 108.800 0.216 0.000 2.692 353 G HA2 -0.525 3.435 3.960 -0.000 0.000 0.339 353 G HA3 -0.525 3.435 3.960 -0.000 0.000 0.339 353 G C 1.112 176.093 174.900 0.135 0.000 1.226 353 G CA 2.452 47.633 45.100 0.135 0.000 0.979 353 G HN 0.351 nan 8.290 nan 0.000 0.549 354 T N -1.691 112.932 114.554 0.114 0.000 3.107 354 T HA 0.493 4.843 4.350 -0.000 0.000 0.249 354 T C 1.515 176.300 174.700 0.141 0.000 1.096 354 T CA 1.219 63.371 62.100 0.087 0.000 1.012 354 T CB 0.556 69.434 68.868 0.017 0.000 0.977 354 T HN 1.742 nan 8.240 nan 0.000 0.527 355 G N -0.152 108.797 108.800 0.248 0.000 4.250 355 G HA2 0.494 4.454 3.960 -0.000 0.000 0.295 355 G HA3 0.494 4.454 3.960 -0.000 0.000 0.295 355 G C 0.950 176.139 174.900 0.483 0.000 1.081 355 G CA -0.041 45.260 45.100 0.334 0.000 0.854 355 G HN 0.438 nan 8.290 nan 0.000 0.524 356 G N 0.252 109.299 108.800 0.412 0.000 2.623 356 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.214 356 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.214 356 G C 1.262 176.287 174.900 0.208 0.000 1.138 356 G CA 0.404 45.674 45.100 0.283 0.000 0.794 356 G HN 0.342 nan 8.290 nan 0.000 0.535 357 F N 2.877 122.907 119.950 0.134 0.000 2.075 357 F HA -0.104 4.422 4.527 -0.000 0.000 0.297 357 F C 2.770 178.737 175.800 0.279 0.000 1.113 357 F CA 1.992 60.090 58.000 0.165 0.000 1.218 357 F CB -0.119 38.971 39.000 0.150 0.000 0.984 357 F HN 0.247 nan 8.300 nan 0.000 0.472 358 K N -0.402 120.133 120.400 0.224 0.000 2.280 358 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 358 K C 1.826 178.613 176.600 0.312 0.000 1.047 358 K CA 1.492 57.916 56.287 0.228 0.000 0.942 358 K CB -1.026 31.638 32.500 0.273 0.000 0.739 358 K HN 0.360 nan 8.250 nan 0.000 0.457 359 G N 0.567 109.403 108.800 0.060 0.000 3.141 359 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.218 359 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.218 359 G C 0.843 175.298 174.900 -0.742 0.000 1.170 359 G CA -0.041 44.843 45.100 -0.360 0.000 0.769 359 G HN 0.239 nan 8.290 nan 0.000 0.546 360 T N 2.306 116.545 114.554 -0.524 0.000 2.635 360 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 360 T C 0.137 174.429 174.700 -0.681 0.000 1.040 360 T CA 1.739 63.452 62.100 -0.645 0.000 1.156 360 T CB -0.679 67.932 68.868 -0.428 0.000 0.863 360 T HN 0.254 nan 8.240 nan 0.000 0.430 361 P HA 0.001 nan 4.420 nan 0.000 0.215 361 P C 1.743 178.807 177.300 -0.393 0.000 1.157 361 P CA 1.176 64.038 63.100 -0.396 0.000 0.863 361 P CB -0.472 30.864 31.700 -0.606 0.000 0.787 362 G N -0.198 108.341 108.800 -0.435 0.000 2.422 362 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 362 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 362 G C 1.612 176.319 174.900 -0.323 0.000 1.140 362 G CA 0.902 45.777 45.100 -0.375 0.000 0.775 362 G HN 0.306 nan 8.290 nan 0.000 0.545 363 A N 0.985 123.497 122.820 -0.513 0.000 1.858 363 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 363 A C 2.727 180.136 177.584 -0.291 0.000 1.190 363 A CA 2.092 53.840 52.037 -0.481 0.000 0.617 363 A CB -1.149 17.054 19.000 -1.329 0.000 0.827 363 A HN 0.509 nan 8.150 nan 0.000 0.443 364 G N -2.195 106.412 108.800 -0.321 0.000 2.422 364 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 364 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 364 G C 1.533 176.423 174.900 -0.017 0.000 1.140 364 G CA 1.204 46.246 45.100 -0.098 0.000 0.775 364 G HN 0.576 nan 8.290 nan 0.000 0.545 365 Y N 2.247 122.293 120.300 -0.422 0.000 2.133 365 Y HA -0.192 4.358 4.550 -0.000 0.000 0.287 365 Y C 3.269 179.007 175.900 -0.270 0.000 1.134 365 Y CA 2.620 60.346 58.100 -0.623 0.000 1.133 365 Y CB -0.322 37.617 38.460 -0.869 0.000 0.987 365 Y HN 0.270 nan 8.280 nan 0.000 0.502 366 T N -1.404 113.130 114.554 -0.033 0.000 2.904 366 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 366 T C 1.759 176.469 174.700 0.016 0.000 1.059 366 T CA 1.232 63.307 62.100 -0.042 0.000 1.137 366 T CB -0.751 68.086 68.868 -0.052 0.000 0.879 366 T HN 0.305 nan 8.240 nan 0.000 0.467 367 L N 1.626 122.849 121.223 0.000 0.000 2.109 367 L HA 0.392 4.732 4.340 -0.000 0.000 0.207 367 L C 2.791 179.639 176.870 -0.035 0.000 1.086 367 L CA 1.487 56.329 54.840 0.003 0.000 0.760 367 L CB -1.205 40.868 42.059 0.023 0.000 0.910 367 L HN 0.329 nan 8.230 nan 0.000 0.437 368 A N -1.312 121.510 122.820 0.002 0.000 1.902 368 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 368 A C 2.401 179.962 177.584 -0.039 0.000 1.181 368 A CA 1.691 53.748 52.037 0.034 0.000 0.623 368 A CB -1.068 18.026 19.000 0.156 0.000 0.818 368 A HN 0.700 nan 8.150 nan 0.000 0.443 369 H N 0.152 119.193 119.070 -0.048 0.000 2.353 369 H HA -0.094 4.461 4.556 -0.000 0.000 0.300 369 H C 1.929 177.161 175.328 -0.159 0.000 1.090 369 H CA 2.088 58.070 56.048 -0.110 0.000 1.327 369 H CB -0.385 29.380 29.762 0.005 0.000 1.383 369 H HN 0.404 nan 8.280 nan 0.000 0.508 370 T N 1.440 116.021 114.554 0.045 0.000 2.788 370 T HA -0.074 4.275 4.350 -0.000 0.000 0.268 370 T C 2.372 176.795 174.700 -0.462 0.000 1.044 370 T CA 1.348 63.398 62.100 -0.085 0.000 1.139 370 T CB -0.103 68.731 68.868 -0.057 0.000 0.867 370 T HN 0.284 nan 8.240 nan 0.000 0.454 371 I N 1.124 121.344 120.570 -0.583 0.000 2.233 371 I HA -0.120 4.050 4.170 -0.000 0.000 0.243 371 I C 2.945 178.791 176.117 -0.452 0.000 1.093 371 I CA 1.041 61.854 61.300 -0.811 0.000 1.380 371 I CB -0.484 37.245 38.000 -0.450 0.000 1.067 371 I HN 0.184 nan 8.210 nan 0.000 0.413 372 A N 0.153 122.728 122.820 -0.408 0.000 1.877 372 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 372 A C 2.135 179.485 177.584 -0.390 0.000 1.186 372 A CA 1.562 53.342 52.037 -0.428 0.000 0.620 372 A CB -1.006 17.538 19.000 -0.761 0.000 0.822 372 A HN 0.479 nan 8.150 nan 0.000 0.443 373 H N -2.033 116.766 119.070 -0.453 0.000 2.548 373 H HA -0.008 4.548 4.556 -0.000 0.000 0.268 373 H C 0.445 175.680 175.328 -0.155 0.000 0.975 373 H CA 0.744 56.604 56.048 -0.314 0.000 1.195 373 H CB 0.191 29.710 29.762 -0.404 0.000 1.397 373 H HN 0.558 nan 8.280 nan 0.000 0.572 374 D N 1.240 121.620 120.400 -0.033 0.000 2.911 374 D HA -0.205 4.435 4.640 -0.000 0.000 0.227 374 D C -0.069 176.306 176.300 0.125 0.000 1.164 374 D CA 1.247 55.312 54.000 0.109 0.000 0.782 374 D CB -0.981 39.890 40.800 0.118 0.000 1.094 374 D HN 0.679 nan 8.370 nan 0.000 0.425 375 E N -0.601 119.649 120.200 0.083 0.000 2.335 375 E HA 0.413 4.763 4.350 -0.000 0.000 0.280 375 E C -2.797 173.866 176.600 0.106 0.000 0.918 375 E CA -1.939 54.518 56.400 0.094 0.000 0.765 375 E CB 1.888 31.639 29.700 0.086 0.000 1.218 375 E HN -0.080 nan 8.360 nan 0.000 0.425 376 P HA -0.016 nan 4.420 nan 0.000 0.269 376 P C -0.608 176.727 177.300 0.059 0.000 1.209 376 P CA -0.047 63.113 63.100 0.099 0.000 0.776 376 P CB 0.594 32.337 31.700 0.071 0.000 0.876 377 H N 2.314 121.307 119.070 -0.129 0.000 2.671 377 H HA 0.038 4.594 4.556 -0.000 0.000 0.372 377 H C 1.292 176.490 175.328 -0.217 0.000 1.227 377 H CA 0.184 55.938 56.048 -0.490 0.000 1.426 377 H CB 1.129 30.538 29.762 -0.589 0.000 1.480 377 H HN 0.255 nan 8.280 nan 0.000 0.611 378 K N 2.363 122.561 120.400 -0.337 0.000 2.103 378 K HA -0.090 4.229 4.320 -0.000 0.000 0.207 378 K C 2.177 178.857 176.600 0.133 0.000 1.048 378 K CA 1.506 57.745 56.287 -0.080 0.000 0.930 378 K CB -0.441 31.964 32.500 -0.158 0.000 0.716 378 K HN 0.647 nan 8.250 nan 0.000 0.444 379 L N 1.019 122.479 121.223 0.395 0.000 2.156 379 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 379 L C 1.746 178.747 176.870 0.219 0.000 1.095 379 L CA 1.319 56.274 54.840 0.193 0.000 0.770 379 L CB -0.581 41.497 42.059 0.032 0.000 0.914 379 L HN 0.415 nan 8.230 nan 0.000 0.439 380 N N 0.076 118.898 118.700 0.203 0.000 2.236 380 N HA 0.038 4.778 4.740 -0.000 0.000 0.196 380 N C 1.499 177.113 175.510 0.173 0.000 1.114 380 N CA 0.712 53.937 53.050 0.292 0.000 0.859 380 N CB 0.341 38.936 38.487 0.180 0.000 0.982 380 N HN 0.131 nan 8.380 nan 0.000 0.493 381 A N 2.189 125.044 122.820 0.058 0.000 1.902 381 A HA -0.009 4.310 4.320 -0.000 0.000 0.217 381 A C -0.147 177.373 177.584 -0.107 0.000 1.181 381 A CA 1.152 53.179 52.037 -0.016 0.000 0.623 381 A CB -1.383 17.591 19.000 -0.042 0.000 0.818 381 A HN 0.286 nan 8.150 nan 0.000 0.443 382 P HA -0.051 nan 4.420 nan 0.000 0.226 382 P C 0.114 177.065 177.300 -0.581 0.000 1.153 382 P CA 0.666 63.493 63.100 -0.455 0.000 0.777 382 P CB -0.096 31.211 31.700 -0.655 0.000 0.794 383 F N -0.631 119.260 119.950 -0.099 0.000 2.898 383 F HA 0.385 4.912 4.527 -0.000 0.000 0.290 383 F C 1.237 176.991 175.800 -0.078 0.000 1.195 383 F CA -1.002 56.919 58.000 -0.132 0.000 1.387 383 F CB -0.948 37.942 39.000 -0.183 0.000 0.976 383 F HN -0.177 nan 8.300 nan 0.000 0.510 384 A N 0.066 122.899 122.820 0.021 0.000 2.304 384 A HA 0.395 4.714 4.320 -0.000 0.000 0.271 384 A C 1.417 179.040 177.584 0.065 0.000 1.091 384 A CA -0.432 51.633 52.037 0.047 0.000 0.812 384 A CB 0.543 19.549 19.000 0.010 0.000 1.056 384 A HN 0.478 nan 8.150 nan 0.000 0.489 385 L N 0.393 121.690 121.223 0.123 0.000 2.012 385 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 385 L C 2.527 179.522 176.870 0.208 0.000 1.073 385 L CA 1.786 56.757 54.840 0.218 0.000 0.748 385 L CB -0.396 41.769 42.059 0.176 0.000 0.891 385 L HN 0.917 nan 8.230 nan 0.000 0.431 386 E N 0.722 120.980 120.200 0.098 0.000 2.396 386 E HA -0.296 4.054 4.350 -0.000 0.000 0.200 386 E C 1.857 178.467 176.600 0.018 0.000 1.023 386 E CA 1.121 57.561 56.400 0.066 0.000 0.857 386 E CB -0.692 29.023 29.700 0.024 0.000 0.775 386 E HN 0.616 nan 8.360 nan 0.000 0.525 387 R N 0.710 121.166 120.500 -0.073 0.000 2.159 387 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 387 R C 1.499 177.632 176.300 -0.277 0.000 1.131 387 R CA 1.216 57.184 56.100 -0.220 0.000 0.982 387 R CB -0.495 29.576 30.300 -0.381 0.000 0.868 387 R HN 0.089 nan 8.270 nan 0.000 0.453 388 F N 0.990 120.945 119.950 0.009 0.000 2.558 388 F HA 0.104 4.631 4.527 -0.000 0.000 0.298 388 F C 2.402 178.209 175.800 0.011 0.000 1.119 388 F CA 0.971 58.977 58.000 0.010 0.000 1.451 388 F CB -0.038 38.974 39.000 0.020 0.000 1.091 388 F HN 0.190 nan 8.300 nan 0.000 0.563 389 E N 0.076 120.363 120.200 0.145 0.000 2.102 389 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 389 E C 2.180 178.805 176.600 0.042 0.000 0.971 389 E CA 1.370 57.824 56.400 0.089 0.000 0.821 389 E CB 0.028 29.771 29.700 0.072 0.000 0.777 389 E HN 0.365 nan 8.360 nan 0.000 0.460 390 T N -2.928 111.635 114.554 0.015 0.000 2.995 390 T HA 0.091 4.441 4.350 -0.000 0.000 0.269 390 T C 1.567 176.266 174.700 -0.002 0.000 1.091 390 T CA 0.991 63.088 62.100 -0.006 0.000 1.128 390 T CB 0.137 68.987 68.868 -0.029 0.000 0.891 390 T HN 0.340 nan 8.240 nan 0.000 0.492 391 G N 0.760 109.558 108.800 -0.003 0.000 2.175 391 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 391 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 391 G C 0.005 174.883 174.900 -0.037 0.000 0.982 391 G CA 0.218 45.314 45.100 -0.007 0.000 0.641 391 G HN 0.844 nan 8.290 nan 0.000 0.527 392 H N 0.908 119.872 119.070 -0.176 0.000 2.923 392 H HA 0.615 5.171 4.556 -0.000 0.000 0.251 392 H C 0.686 175.826 175.328 -0.314 0.000 1.741 392 H CA -0.568 55.341 56.048 -0.232 0.000 1.387 392 H CB -0.346 29.279 29.762 -0.229 0.000 1.740 392 H HN 0.177 nan 8.280 nan 0.000 0.544 393 L N 3.633 124.582 121.223 -0.457 0.000 2.468 393 L HA 0.291 4.631 4.340 -0.000 0.000 0.254 393 L C 0.355 176.886 176.870 -0.564 0.000 1.171 393 L CA -0.211 54.357 54.840 -0.453 0.000 0.809 393 L CB 0.798 42.731 42.059 -0.208 0.000 1.155 393 L HN 0.568 nan 8.230 nan 0.000 0.473 394 I N 1.179 121.530 120.570 -0.364 0.000 2.698 394 I HA 0.170 4.340 4.170 -0.000 0.000 0.276 394 I C -1.003 175.153 176.117 0.064 0.000 1.166 394 I CA -0.705 60.401 61.300 -0.324 0.000 1.101 394 I CB 0.805 38.689 38.000 -0.192 0.000 1.305 394 I HN 0.383 nan 8.210 nan 0.000 0.526 395 D N 5.320 125.833 120.400 0.189 0.000 2.342 395 D HA 0.090 4.730 4.640 -0.000 0.000 0.260 395 D C 0.735 177.408 176.300 0.622 0.000 1.278 395 D CA 0.327 54.608 54.000 0.468 0.000 0.910 395 D CB 1.047 42.130 40.800 0.470 0.000 1.079 395 D HN 0.344 nan 8.370 nan 0.000 0.496 396 E N 1.099 121.529 120.200 0.384 0.000 2.585 396 E HA 0.021 4.370 4.350 -0.000 0.000 0.206 396 E C 0.562 177.257 176.600 0.158 0.000 1.007 396 E CA -0.252 56.337 56.400 0.316 0.000 1.028 396 E CB 0.182 30.125 29.700 0.405 0.000 1.087 396 E HN 0.466 nan 8.360 nan 0.000 0.455 397 H N -0.342 118.825 119.070 0.163 0.000 2.456 397 H HA -0.068 4.488 4.556 -0.000 0.000 0.296 397 H C 2.096 177.461 175.328 0.061 0.000 1.079 397 H CA 1.572 57.684 56.048 0.106 0.000 1.322 397 H CB 0.031 29.851 29.762 0.097 0.000 1.388 397 H HN 0.283 nan 8.280 nan 0.000 0.538 398 G N 0.176 109.064 108.800 0.148 0.000 2.434 398 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.214 398 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.214 398 G C 1.889 176.773 174.900 -0.026 0.000 1.202 398 G CA 0.885 46.013 45.100 0.045 0.000 0.788 398 G HN 0.520 nan 8.290 nan 0.000 0.539 399 A N 0.637 123.391 122.820 -0.110 0.000 2.066 399 A HA 0.590 4.910 4.320 -0.000 0.000 0.218 399 A C 1.788 179.177 177.584 -0.323 0.000 1.157 399 A CA 1.199 53.043 52.037 -0.322 0.000 0.670 399 A CB -0.604 18.016 19.000 -0.633 0.000 0.804 399 A HN 0.934 nan 8.150 nan 0.000 0.453 400 A N -0.771 121.985 122.820 -0.106 0.000 2.507 400 A HA 0.494 4.814 4.320 -0.000 0.000 0.235 400 A C 1.503 179.044 177.584 -0.072 0.000 1.070 400 A CA 0.383 52.402 52.037 -0.031 0.000 0.768 400 A CB -0.082 18.928 19.000 0.017 0.000 1.011 400 A HN 1.075 nan 8.150 nan 0.000 0.502 401 A N 1.957 124.697 122.820 -0.135 0.000 1.861 401 A HA 0.307 4.627 4.320 -0.000 0.000 0.214 401 A C 1.504 178.973 177.584 -0.191 0.000 1.322 401 A CA 1.401 53.224 52.037 -0.357 0.000 0.601 401 A CB -1.689 16.983 19.000 -0.547 0.000 0.966 401 A HN 2.136 nan 8.150 nan 0.000 0.471 402 V N 0.000 119.826 119.914 -0.146 0.000 2.409 402 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 402 V CA 0.000 62.320 62.300 0.034 0.000 1.235 402 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 402 V HN 0.000 nan 8.190 nan 0.000 0.556