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 1fea_1_A DATA FIRST_RESID 1 DATA SEQUENCE SRAYDLVVIG AGSGGLEAGW NAASLHKKRV AVIDLQKHHG PPHYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGANYMD TIRESAGFGW ELDRESVRPN WKALIAAKNK DATA SEQUENCE AVSGINDSYE GMFADTEGLT FHQGFGALQD NHTVLVRESA DPNSAVLETL DATA SEQUENCE DTEYILLATG SWPQHLGIEG DDLCITSNEA FYLDEAPKRA LCVGGGYISI DATA SEQUENCE EFAGIFNAYK ARGGQVDLAY RGDMILRGFD SELRKQLTEQ LRANGINVRT DATA SEQUENCE HENPAKVTKN ADGTRHVVFE SGAEADYDVV MLAIGRVPRS QTLQLEKAGV DATA SEQUENCE EVAKNGAIKV DAYSKTNVDN IYAIGDVTDR VMLTPVAINE GAAFVDTVFA DATA SEQUENCE NKPRATDHTK VACAVFSIPP MGVCGYVEED AAKKYDQVAV YESSFTPLMH DATA SEQUENCE NISGSTYKKF MVRIVTNHAD GEVLGVHMLG DSSPEIIQSV AICLKMGAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPAYFYEKG KRVEKID 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.580 174.600 -0.033 0.000 1.055 1 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 1 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 2 R N 0.324 120.803 120.500 -0.034 0.000 2.734 2 R HA 0.819 5.158 4.340 -0.000 0.000 0.271 2 R C 1.036 177.307 176.300 -0.050 0.000 1.021 2 R CA 0.117 56.197 56.100 -0.033 0.000 0.893 2 R CB 0.121 30.413 30.300 -0.013 0.000 1.244 2 R HN 0.142 nan 8.270 nan 0.000 0.464 3 A N 1.031 123.821 122.820 -0.051 0.000 1.870 3 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 3 A C -0.163 177.208 177.584 -0.355 0.000 1.224 3 A CA 1.638 53.568 52.037 -0.179 0.000 0.650 3 A CB -0.727 18.246 19.000 -0.045 0.000 0.836 3 A HN 0.504 nan 8.150 nan 0.000 0.454 4 Y N -2.858 117.463 120.300 0.034 0.000 2.605 4 Y HA 0.462 5.012 4.550 -0.000 0.000 0.343 4 Y C 0.478 176.432 175.900 0.089 0.000 1.036 4 Y CA -0.896 57.234 58.100 0.049 0.000 1.065 4 Y CB 1.236 39.721 38.460 0.043 0.000 1.288 4 Y HN 0.095 nan 8.280 nan 0.000 0.481 5 D N 0.245 120.800 120.400 0.259 0.000 2.240 5 D HA 0.125 4.765 4.640 -0.000 0.000 0.206 5 D C -0.383 176.183 176.300 0.443 0.000 0.963 5 D CA 1.162 55.319 54.000 0.263 0.000 0.863 5 D CB 0.714 41.522 40.800 0.013 0.000 0.973 5 D HN 0.224 nan 8.370 nan 0.000 0.501 6 L N 0.503 121.943 121.223 0.361 0.000 2.482 6 L HA 0.399 4.739 4.340 -0.000 0.000 0.263 6 L C -1.678 175.314 176.870 0.204 0.000 0.957 6 L CA -0.659 54.415 54.840 0.390 0.000 0.836 6 L CB 2.863 45.217 42.059 0.492 0.000 1.324 6 L HN -0.363 nan 8.230 nan 0.000 0.406 7 V N 4.539 124.537 119.914 0.141 0.000 2.444 7 V HA 0.423 4.542 4.120 -0.000 0.000 0.294 7 V C -0.481 175.630 176.094 0.027 0.000 1.022 7 V CA -0.462 61.824 62.300 -0.022 0.000 0.850 7 V CB 2.287 34.041 31.823 -0.116 0.000 0.992 7 V HN 0.421 nan 8.190 nan 0.000 0.426 8 V N 7.195 127.118 119.914 0.015 0.000 2.357 8 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 8 V C 0.033 176.120 176.094 -0.012 0.000 1.018 8 V CA -0.402 61.910 62.300 0.021 0.000 0.841 8 V CB 1.627 33.492 31.823 0.070 0.000 0.991 8 V HN 0.681 nan 8.190 nan 0.000 0.437 9 I N 5.164 125.718 120.570 -0.028 0.000 2.269 9 I HA 0.635 4.805 4.170 -0.000 0.000 0.293 9 I C 0.810 176.911 176.117 -0.027 0.000 1.106 9 I CA 0.282 61.556 61.300 -0.043 0.000 1.248 9 I CB 0.627 38.601 38.000 -0.044 0.000 1.444 9 I HN 0.855 nan 8.210 nan 0.000 0.497 10 G N 4.435 113.227 108.800 -0.013 0.000 3.088 10 G HA2 0.185 4.145 3.960 -0.000 0.000 0.620 10 G HA3 0.185 4.145 3.960 -0.000 0.000 0.620 10 G C -0.464 174.467 174.900 0.052 0.000 1.375 10 G CA -0.425 44.681 45.100 0.009 0.000 1.016 10 G HN 0.747 nan 8.290 nan 0.000 0.590 11 A N 1.576 124.446 122.820 0.083 0.000 3.181 11 A HA 0.770 5.090 4.320 -0.000 0.000 0.293 11 A C 1.339 178.929 177.584 0.009 0.000 1.346 11 A CA 1.084 53.186 52.037 0.108 0.000 1.018 11 A CB -0.282 18.859 19.000 0.234 0.000 1.093 11 A HN 1.918 nan 8.150 nan 0.000 0.629 12 G N -0.599 108.208 108.800 0.013 0.000 2.714 12 G HA2 0.357 4.317 3.960 -0.000 0.000 0.197 12 G HA3 0.357 4.317 3.960 -0.000 0.000 0.197 12 G C 1.135 176.027 174.900 -0.015 0.000 1.449 12 G CA 0.598 45.697 45.100 -0.001 0.000 1.065 12 G HN 0.261 nan 8.290 nan 0.000 0.575 13 S N -0.280 115.427 115.700 0.013 0.000 2.338 13 S HA -0.074 4.396 4.470 -0.000 0.000 0.218 13 S C 2.430 177.045 174.600 0.025 0.000 1.032 13 S CA 1.664 59.875 58.200 0.019 0.000 0.999 13 S CB -0.727 62.495 63.200 0.036 0.000 0.905 13 S HN 0.721 nan 8.310 nan 0.000 0.439 14 G N 1.003 109.822 108.800 0.031 0.000 2.404 14 G HA2 0.053 4.013 3.960 -0.000 0.000 0.214 14 G HA3 0.053 4.013 3.960 -0.000 0.000 0.214 14 G C 1.496 176.415 174.900 0.032 0.000 1.189 14 G CA 0.859 45.980 45.100 0.034 0.000 0.789 14 G HN 0.560 nan 8.290 nan 0.000 0.533 15 G N 1.132 109.944 108.800 0.021 0.000 2.681 15 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 15 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 15 G C 1.778 176.714 174.900 0.059 0.000 1.210 15 G CA 1.007 46.125 45.100 0.030 0.000 0.783 15 G HN 0.387 nan 8.290 nan 0.000 0.609 16 L N 0.193 121.434 121.223 0.030 0.000 2.201 16 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 16 L C 2.815 179.722 176.870 0.063 0.000 1.105 16 L CA 1.345 56.193 54.840 0.013 0.000 0.775 16 L CB -0.192 41.796 42.059 -0.118 0.000 0.913 16 L HN 0.363 nan 8.230 nan 0.000 0.440 17 E N 0.460 120.702 120.200 0.070 0.000 2.028 17 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 17 E C 2.108 178.821 176.600 0.189 0.000 0.988 17 E CA 1.628 58.096 56.400 0.114 0.000 0.799 17 E CB -0.138 29.615 29.700 0.088 0.000 0.755 17 E HN 0.329 nan 8.360 nan 0.000 0.447 18 A N 0.552 123.478 122.820 0.178 0.000 1.865 18 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 18 A C 2.524 180.266 177.584 0.264 0.000 1.191 18 A CA 2.154 54.344 52.037 0.255 0.000 0.623 18 A CB -1.645 17.509 19.000 0.258 0.000 0.826 18 A HN 0.441 nan 8.150 nan 0.000 0.444 19 G N -1.105 107.826 108.800 0.217 0.000 2.529 19 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 19 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 19 G C 1.553 176.576 174.900 0.204 0.000 1.177 19 G CA 1.184 46.406 45.100 0.203 0.000 0.773 19 G HN 0.722 nan 8.290 nan 0.000 0.573 20 W N 1.753 123.056 121.300 0.004 0.000 2.381 20 W HA -0.073 4.587 4.660 -0.000 0.000 0.301 20 W C 2.006 178.546 176.519 0.036 0.000 1.205 20 W CA 1.310 58.645 57.345 -0.018 0.000 1.285 20 W CB -0.325 29.106 29.460 -0.050 0.000 1.133 20 W HN 0.181 nan 8.180 nan 0.000 0.521 21 N N 1.205 120.066 118.700 0.268 0.000 2.120 21 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 21 N C 1.984 177.597 175.510 0.172 0.000 1.024 21 N CA 2.481 55.641 53.050 0.182 0.000 0.852 21 N CB -1.148 37.499 38.487 0.267 0.000 1.003 21 N HN 0.181 nan 8.380 nan 0.000 0.424 22 A N 0.655 123.584 122.820 0.181 0.000 1.902 22 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 22 A C 2.240 179.812 177.584 -0.020 0.000 1.181 22 A CA 1.919 54.041 52.037 0.143 0.000 0.623 22 A CB -0.852 18.271 19.000 0.205 0.000 0.818 22 A HN 0.336 nan 8.150 nan 0.000 0.443 23 A N -1.317 121.456 122.820 -0.078 0.000 1.838 23 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 23 A C 2.370 179.771 177.584 -0.305 0.000 1.273 23 A CA 1.626 53.563 52.037 -0.168 0.000 0.602 23 A CB -1.288 17.631 19.000 -0.135 0.000 0.934 23 A HN 0.458 nan 8.150 nan 0.000 0.461 24 S N -1.011 114.337 115.700 -0.587 0.000 2.488 24 S HA -0.037 4.433 4.470 -0.000 0.000 0.246 24 S C 1.205 175.494 174.600 -0.518 0.000 0.992 24 S CA 1.307 59.026 58.200 -0.801 0.000 0.963 24 S CB -0.407 61.675 63.200 -1.863 0.000 0.754 24 S HN 0.409 nan 8.310 nan 0.000 0.519 25 L N -1.132 119.857 121.223 -0.389 0.000 3.086 25 L HA 0.323 4.663 4.340 -0.000 0.000 0.274 25 L C 0.486 176.910 176.870 -0.743 0.000 1.184 25 L CA 0.056 54.632 54.840 -0.441 0.000 1.002 25 L CB 0.262 42.111 42.059 -0.350 0.000 1.383 25 L HN 0.316 nan 8.230 nan 0.000 0.582 26 H N -0.789 118.180 119.070 -0.168 0.000 3.480 26 H HA 0.145 4.701 4.556 -0.000 0.000 0.257 26 H C -0.192 175.019 175.328 -0.196 0.000 1.196 26 H CA -0.352 55.601 56.048 -0.158 0.000 1.100 26 H CB 0.811 30.481 29.762 -0.153 0.000 1.683 26 H HN -0.087 nan 8.280 nan 0.000 0.702 27 K N 2.000 122.318 120.400 -0.137 0.000 3.490 27 K HA -0.189 4.131 4.320 -0.000 0.000 0.273 27 K C -0.150 176.362 176.600 -0.147 0.000 0.916 27 K CA 0.477 56.682 56.287 -0.135 0.000 0.718 27 K CB -0.759 31.674 32.500 -0.112 0.000 1.477 27 K HN 0.236 nan 8.250 nan 0.000 0.452 28 K N 0.669 120.953 120.400 -0.194 0.000 2.139 28 K HA 0.387 4.707 4.320 -0.000 0.000 0.243 28 K C 0.096 176.628 176.600 -0.113 0.000 0.983 28 K CA -1.184 54.946 56.287 -0.261 0.000 0.890 28 K CB 1.192 33.352 32.500 -0.566 0.000 1.090 28 K HN 0.013 nan 8.250 nan 0.000 0.445 29 R N 1.455 121.926 120.500 -0.049 0.000 2.235 29 R HA 0.213 4.553 4.340 -0.000 0.000 0.338 29 R C -1.170 175.249 176.300 0.199 0.000 1.087 29 R CA -0.275 55.871 56.100 0.078 0.000 0.948 29 R CB -0.353 29.974 30.300 0.045 0.000 1.099 29 R HN 0.270 nan 8.270 nan 0.000 0.483 30 V N 3.306 123.338 119.914 0.197 0.000 2.459 30 V HA 0.748 4.868 4.120 -0.000 0.000 0.295 30 V C -0.079 176.152 176.094 0.228 0.000 1.029 30 V CA -0.962 61.461 62.300 0.204 0.000 0.874 30 V CB 1.627 33.543 31.823 0.154 0.000 0.985 30 V HN 0.806 nan 8.190 nan 0.000 0.438 31 A N 4.602 127.454 122.820 0.053 0.000 2.318 31 A HA 0.831 5.151 4.320 -0.000 0.000 0.317 31 A C -0.773 176.823 177.584 0.020 0.000 1.159 31 A CA -0.522 51.469 52.037 -0.076 0.000 0.799 31 A CB 1.401 19.876 19.000 -0.876 0.000 1.194 31 A HN 0.644 nan 8.150 nan 0.000 0.479 32 V N 3.860 123.904 119.914 0.217 0.000 2.435 32 V HA 0.445 4.565 4.120 -0.000 0.000 0.290 32 V C -0.330 175.741 176.094 -0.038 0.000 1.030 32 V CA -0.201 62.220 62.300 0.203 0.000 0.881 32 V CB 1.399 33.531 31.823 0.513 0.000 0.983 32 V HN 0.746 nan 8.190 nan 0.000 0.445 33 I N 4.344 124.855 120.570 -0.098 0.000 2.418 33 I HA 0.508 4.678 4.170 -0.000 0.000 0.287 33 I C -0.671 175.353 176.117 -0.154 0.000 1.008 33 I CA -0.112 61.032 61.300 -0.259 0.000 1.104 33 I CB 1.616 39.494 38.000 -0.203 0.000 1.264 33 I HN 0.558 nan 8.210 nan 0.000 0.438 34 D N 4.533 124.825 120.400 -0.180 0.000 2.732 34 D HA 0.264 4.904 4.640 -0.000 0.000 0.229 34 D C 0.497 176.746 176.300 -0.086 0.000 1.152 34 D CA -0.549 53.452 54.000 0.002 0.000 0.854 34 D CB 2.736 43.696 40.800 0.265 0.000 1.590 34 D HN 0.188 nan 8.370 nan 0.000 0.468 35 L N 1.196 122.251 121.223 -0.280 0.000 2.127 35 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 35 L C 1.133 177.896 176.870 -0.177 0.000 1.089 35 L CA 1.635 56.182 54.840 -0.488 0.000 0.757 35 L CB -0.745 40.743 42.059 -0.951 0.000 0.899 35 L HN 0.557 nan 8.230 nan 0.000 0.434 36 Q N -1.285 118.519 119.800 0.007 0.000 2.522 36 Q HA 0.268 4.608 4.340 -0.000 0.000 0.285 36 Q C -0.538 175.514 176.000 0.086 0.000 0.982 36 Q CA -0.768 55.092 55.803 0.095 0.000 0.805 36 Q CB 1.098 29.908 28.738 0.120 0.000 1.457 36 Q HN 0.173 nan 8.270 nan 0.000 0.394 37 K N 0.500 120.935 120.400 0.058 0.000 2.410 37 K HA 0.278 4.598 4.320 -0.000 0.000 0.200 37 K C -0.476 176.083 176.600 -0.068 0.000 1.023 37 K CA -0.100 56.135 56.287 -0.086 0.000 1.149 37 K CB 0.395 32.783 32.500 -0.187 0.000 0.859 37 K HN 0.548 nan 8.250 nan 0.000 0.514 38 H N 0.967 120.035 119.070 -0.003 0.000 2.974 38 H HA 0.100 4.655 4.556 -0.000 0.000 0.366 38 H C -0.921 174.413 175.328 0.010 0.000 1.155 38 H CA -0.946 55.100 56.048 -0.002 0.000 1.186 38 H CB 1.762 31.480 29.762 -0.073 0.000 1.799 38 H HN 0.379 nan 8.280 nan 0.000 0.541 39 H N 0.667 119.827 119.070 0.151 0.000 2.790 39 H HA 0.491 5.047 4.556 -0.000 0.000 0.358 39 H C 0.595 176.006 175.328 0.139 0.000 1.103 39 H CA 0.462 56.604 56.048 0.157 0.000 1.426 39 H CB 0.788 30.648 29.762 0.163 0.000 1.424 39 H HN 0.930 nan 8.280 nan 0.000 0.599 40 G N 1.484 110.357 108.800 0.121 0.000 2.347 40 G HA2 0.035 3.995 3.960 -0.000 0.000 0.477 40 G HA3 0.035 3.995 3.960 -0.000 0.000 0.477 40 G C -3.199 171.295 174.900 -0.677 0.000 1.349 40 G CA -1.018 43.885 45.100 -0.329 0.000 1.000 40 G HN 0.687 nan 8.290 nan 0.000 0.605 41 P HA 0.212 nan 4.420 nan 0.000 0.268 41 P C -1.502 175.514 177.300 -0.472 0.000 1.205 41 P CA -0.698 61.871 63.100 -0.886 0.000 0.771 41 P CB 0.750 32.115 31.700 -0.559 0.000 0.858 42 P HA 0.027 nan 4.420 nan 0.000 0.245 42 P C 0.528 177.473 177.300 -0.591 0.000 1.199 42 P CA 1.206 64.011 63.100 -0.492 0.000 0.807 42 P CB 0.258 31.725 31.700 -0.388 0.000 1.002 43 H N -2.767 116.234 119.070 -0.115 0.000 2.547 43 H HA 0.098 4.654 4.556 -0.000 0.000 0.272 43 H C 0.430 175.976 175.328 0.363 0.000 0.971 43 H CA 0.778 56.911 56.048 0.141 0.000 1.245 43 H CB -0.088 29.739 29.762 0.108 0.000 1.440 43 H HN -0.058 nan 8.280 nan 0.000 0.540 44 Y N -1.589 118.895 120.300 0.307 0.000 2.755 44 Y HA -0.371 4.179 4.550 -0.000 0.000 0.475 44 Y C 1.304 177.391 175.900 0.312 0.000 1.193 44 Y CA 0.228 58.525 58.100 0.328 0.000 2.708 44 Y CB -1.714 36.951 38.460 0.342 0.000 1.089 44 Y HN 0.292 nan 8.280 nan 0.000 0.584 45 A N 1.605 124.711 122.820 0.478 0.000 2.304 45 A HA 0.832 5.152 4.320 -0.000 0.000 0.271 45 A C 0.480 178.205 177.584 0.235 0.000 1.091 45 A CA 0.732 52.959 52.037 0.317 0.000 0.812 45 A CB 0.715 19.904 19.000 0.316 0.000 1.056 45 A HN 1.396 nan 8.150 nan 0.000 0.489 46 A N 0.277 123.193 122.820 0.160 0.000 3.201 46 A HA 0.621 4.940 4.320 -0.000 0.000 0.303 46 A C -0.475 177.141 177.584 0.054 0.000 1.173 46 A CA -0.632 51.468 52.037 0.105 0.000 0.621 46 A CB -0.287 18.779 19.000 0.110 0.000 1.468 46 A HN 1.131 nan 8.150 nan 0.000 0.632 47 L N 0.497 121.715 121.223 -0.008 0.000 2.615 47 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 47 L C 1.423 178.234 176.870 -0.099 0.000 1.237 47 L CA 2.143 56.919 54.840 -0.105 0.000 0.905 47 L CB 0.454 42.363 42.059 -0.251 0.000 1.149 47 L HN 1.763 nan 8.230 nan 0.000 0.499 48 G N 2.038 110.675 108.800 -0.273 0.000 2.313 48 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 48 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 48 G C 0.622 175.485 174.900 -0.063 0.000 1.023 48 G CA -0.133 44.812 45.100 -0.257 0.000 0.626 48 G HN 1.752 nan 8.290 nan 0.000 0.503 49 G N -1.741 107.058 108.800 -0.001 0.000 2.610 49 G HA2 0.194 4.154 3.960 -0.000 0.000 0.304 49 G HA3 0.194 4.154 3.960 -0.000 0.000 0.304 49 G C 0.584 175.534 174.900 0.084 0.000 1.309 49 G CA 0.696 45.823 45.100 0.046 0.000 0.906 49 G HN 1.184 nan 8.290 nan 0.000 0.521 50 T N -0.462 114.153 114.554 0.102 0.000 2.904 50 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 50 T C 2.424 177.165 174.700 0.068 0.000 1.059 50 T CA 2.349 64.518 62.100 0.116 0.000 1.137 50 T CB -0.419 68.537 68.868 0.147 0.000 0.879 50 T HN 1.028 nan 8.240 nan 0.000 0.467 51 c N 0.907 119.542 118.600 0.059 0.000 2.446 51 c HA 0.028 4.597 4.570 -0.000 0.000 0.277 51 c C 2.684 176.768 174.090 -0.011 0.000 1.275 51 c CA 0.384 56.734 56.329 0.035 0.000 1.727 51 c CB -1.130 41.406 42.510 0.044 0.000 2.010 51 c HN 0.339 nan 8.230 nan 0.000 0.486 52 V N 1.752 121.672 119.914 0.010 0.000 2.488 52 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 52 V C 2.301 178.359 176.094 -0.060 0.000 1.046 52 V CA 2.100 64.399 62.300 -0.002 0.000 1.053 52 V CB -0.621 31.265 31.823 0.104 0.000 0.679 52 V HN 0.577 nan 8.190 nan 0.000 0.458 53 N N 0.456 119.143 118.700 -0.023 0.000 2.278 53 N HA -0.008 4.732 4.740 -0.000 0.000 0.181 53 N C 0.970 176.376 175.510 -0.173 0.000 1.023 53 N CA 1.777 54.812 53.050 -0.026 0.000 0.862 53 N CB 0.632 39.197 38.487 0.131 0.000 1.003 53 N HN 0.508 nan 8.380 nan 0.000 0.431 54 V N -2.721 117.087 119.914 -0.177 0.000 2.793 54 V HA 0.768 4.888 4.120 -0.000 0.000 0.361 54 V C 0.155 176.124 176.094 -0.208 0.000 1.298 54 V CA -0.323 61.722 62.300 -0.426 0.000 1.343 54 V CB 0.623 32.469 31.823 0.038 0.000 1.410 54 V HN 0.192 nan 8.190 nan 0.000 0.656 55 G N -0.269 108.402 108.800 -0.216 0.000 3.111 55 G HA2 0.251 4.211 3.960 -0.000 0.000 0.158 55 G HA3 0.251 4.211 3.960 -0.000 0.000 0.158 55 G C 0.831 175.740 174.900 0.016 0.000 1.161 55 G CA 0.616 45.739 45.100 0.038 0.000 1.025 55 G HN 0.372 nan 8.290 nan 0.000 0.619 56 c N 0.146 118.768 118.600 0.036 0.000 2.326 56 c HA -0.133 4.437 4.570 -0.000 0.000 0.269 56 c C 2.832 176.856 174.090 -0.111 0.000 1.140 56 c CA 1.199 57.519 56.329 -0.014 0.000 1.798 56 c CB -1.649 40.857 42.510 -0.006 0.000 2.053 56 c HN 0.317 nan 8.230 nan 0.000 0.438 57 V N 3.181 123.021 119.914 -0.123 0.000 2.214 57 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 57 V C 0.429 176.409 176.094 -0.189 0.000 1.047 57 V CA 2.851 65.057 62.300 -0.158 0.000 0.998 57 V CB -2.122 29.613 31.823 -0.146 0.000 0.633 57 V HN 0.406 nan 8.190 nan 0.000 0.446 58 P HA -0.232 nan 4.420 nan 0.000 0.215 58 P C 1.622 178.875 177.300 -0.078 0.000 1.153 58 P CA 1.708 64.650 63.100 -0.263 0.000 0.853 58 P CB -0.180 31.158 31.700 -0.602 0.000 0.788 59 K N 1.483 121.884 120.400 0.002 0.000 2.063 59 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 59 K C 2.123 178.626 176.600 -0.162 0.000 1.048 59 K CA 1.902 58.202 56.287 0.021 0.000 0.928 59 K CB -0.590 31.957 32.500 0.079 0.000 0.713 59 K HN -0.038 nan 8.250 nan 0.000 0.442 60 K N 0.720 120.986 120.400 -0.223 0.000 2.148 60 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 60 K C 2.276 178.748 176.600 -0.214 0.000 1.050 60 K CA 0.829 56.922 56.287 -0.323 0.000 0.942 60 K CB -0.066 32.177 32.500 -0.428 0.000 0.724 60 K HN 0.181 nan 8.250 nan 0.000 0.446 61 L N -0.072 121.051 121.223 -0.167 0.000 2.109 61 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 61 L C 2.345 179.152 176.870 -0.106 0.000 1.086 61 L CA 1.044 55.810 54.840 -0.122 0.000 0.760 61 L CB -0.271 41.711 42.059 -0.128 0.000 0.910 61 L HN 0.254 nan 8.230 nan 0.000 0.437 62 M N -1.165 118.350 119.600 -0.141 0.000 2.319 62 M HA -0.114 4.365 4.480 -0.000 0.000 0.265 62 M C 2.063 178.300 176.300 -0.105 0.000 1.068 62 M CA 1.023 56.219 55.300 -0.173 0.000 1.118 62 M CB -0.096 32.359 32.600 -0.242 0.000 1.395 62 M HN 0.067 nan 8.290 nan 0.000 0.435 63 V N -0.717 119.122 119.914 -0.125 0.000 2.788 63 V HA -0.122 3.998 4.120 -0.000 0.000 0.251 63 V C 2.191 178.260 176.094 -0.042 0.000 1.068 63 V CA 1.625 63.877 62.300 -0.081 0.000 1.090 63 V CB -0.843 30.924 31.823 -0.093 0.000 0.710 63 V HN 0.433 nan 8.190 nan 0.000 0.467 64 T N 0.858 115.378 114.554 -0.057 0.000 2.737 64 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 64 T C 2.025 176.748 174.700 0.038 0.000 1.038 64 T CA 1.696 63.756 62.100 -0.067 0.000 1.144 64 T CB -0.651 68.199 68.868 -0.030 0.000 0.866 64 T HN 0.589 nan 8.240 nan 0.000 0.434 65 G N 1.245 110.157 108.800 0.186 0.000 2.476 65 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 65 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 65 G C 1.775 176.931 174.900 0.426 0.000 1.164 65 G CA 0.980 46.328 45.100 0.413 0.000 0.768 65 G HN 0.594 nan 8.290 nan 0.000 0.560 66 A N 0.477 123.496 122.820 0.332 0.000 2.067 66 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 66 A C 2.173 179.783 177.584 0.043 0.000 1.158 66 A CA 1.354 53.531 52.037 0.232 0.000 0.661 66 A CB -0.328 18.817 19.000 0.243 0.000 0.801 66 A HN 0.370 nan 8.150 nan 0.000 0.452 67 N N -1.165 117.505 118.700 -0.050 0.000 2.396 67 N HA -0.120 4.620 4.740 -0.000 0.000 0.180 67 N C 1.123 176.525 175.510 -0.180 0.000 1.028 67 N CA 0.991 53.950 53.050 -0.151 0.000 0.893 67 N CB -0.279 38.052 38.487 -0.260 0.000 0.967 67 N HN 0.620 nan 8.380 nan 0.000 0.440 68 Y N 1.147 121.427 120.300 -0.033 0.000 2.315 68 Y HA -0.095 4.455 4.550 -0.000 0.000 0.288 68 Y C 2.536 178.397 175.900 -0.065 0.000 1.154 68 Y CA 0.777 58.844 58.100 -0.055 0.000 1.229 68 Y CB -0.358 38.067 38.460 -0.059 0.000 0.980 68 Y HN 0.069 nan 8.280 nan 0.000 0.540 69 M N 0.110 119.730 119.600 0.034 0.000 2.080 69 M HA -0.286 4.194 4.480 -0.000 0.000 0.260 69 M C 1.228 177.541 176.300 0.022 0.000 1.068 69 M CA 2.320 57.618 55.300 -0.002 0.000 1.109 69 M CB -0.137 32.439 32.600 -0.040 0.000 1.342 69 M HN 0.152 nan 8.290 nan 0.000 0.405 70 D N -0.311 120.098 120.400 0.015 0.000 2.097 70 D HA -0.121 4.518 4.640 -0.000 0.000 0.197 70 D C 1.881 178.202 176.300 0.035 0.000 0.984 70 D CA 1.920 55.938 54.000 0.030 0.000 0.826 70 D CB -0.672 40.138 40.800 0.017 0.000 0.973 70 D HN 0.371 nan 8.370 nan 0.000 0.460 71 T N 0.950 115.506 114.554 0.005 0.000 2.684 71 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 71 T C 2.132 176.848 174.700 0.027 0.000 1.036 71 T CA 0.781 62.880 62.100 -0.003 0.000 1.148 71 T CB -0.328 68.511 68.868 -0.049 0.000 0.863 71 T HN 0.155 nan 8.240 nan 0.000 0.436 72 I N 0.677 121.281 120.570 0.056 0.000 2.226 72 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 72 I C 2.818 178.972 176.117 0.062 0.000 1.100 72 I CA 1.303 62.631 61.300 0.047 0.000 1.374 72 I CB -0.431 37.598 38.000 0.048 0.000 1.057 72 I HN 0.164 nan 8.210 nan 0.000 0.413 73 R N 1.499 122.040 120.500 0.068 0.000 2.092 73 R HA -0.172 4.168 4.340 -0.000 0.000 0.231 73 R C 1.909 178.280 176.300 0.119 0.000 1.119 73 R CA 1.575 57.726 56.100 0.086 0.000 0.970 73 R CB -0.052 30.294 30.300 0.076 0.000 0.864 73 R HN 0.393 nan 8.270 nan 0.000 0.440 74 E N 0.183 120.460 120.200 0.127 0.000 2.358 74 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 74 E C 1.651 178.408 176.600 0.262 0.000 1.010 74 E CA 0.993 57.510 56.400 0.194 0.000 0.856 74 E CB 0.229 30.054 29.700 0.208 0.000 0.795 74 E HN 0.443 nan 8.360 nan 0.000 0.504 75 S N 0.698 116.512 115.700 0.190 0.000 2.537 75 S HA -0.077 4.393 4.470 -0.000 0.000 0.240 75 S C 2.029 176.879 174.600 0.417 0.000 0.981 75 S CA 0.615 58.972 58.200 0.262 0.000 0.948 75 S CB -0.081 63.142 63.200 0.038 0.000 0.759 75 S HN 0.298 nan 8.310 nan 0.000 0.531 76 A N 2.323 125.315 122.820 0.288 0.000 1.855 76 A HA 0.222 4.542 4.320 -0.000 0.000 0.215 76 A C 2.427 180.128 177.584 0.194 0.000 1.191 76 A CA 1.411 53.584 52.037 0.225 0.000 0.613 76 A CB -1.775 17.312 19.000 0.145 0.000 0.829 76 A HN 0.612 nan 8.150 nan 0.000 0.442 77 G N -1.019 107.884 108.800 0.173 0.000 2.469 77 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 77 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 77 G C 1.028 175.844 174.900 -0.140 0.000 1.150 77 G CA 1.043 46.137 45.100 -0.010 0.000 0.763 77 G HN 0.444 nan 8.290 nan 0.000 0.561 78 F N 1.338 121.380 119.950 0.154 0.000 2.754 78 F HA 0.349 4.876 4.527 -0.000 0.000 0.303 78 F C 1.880 177.735 175.800 0.092 0.000 1.196 78 F CA 0.229 58.326 58.000 0.162 0.000 1.416 78 F CB -0.086 39.061 39.000 0.245 0.000 1.092 78 F HN 0.267 nan 8.300 nan 0.000 0.541 79 G N -1.050 107.815 108.800 0.109 0.000 2.142 79 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.225 79 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.225 79 G C -0.430 174.315 174.900 -0.259 0.000 1.015 79 G CA -0.694 44.356 45.100 -0.084 0.000 0.716 79 G HN 0.325 nan 8.290 nan 0.000 0.508 80 W N 1.199 122.548 121.300 0.083 0.000 2.291 80 W HA 0.627 5.287 4.660 -0.000 0.000 0.312 80 W C 0.486 177.036 176.519 0.051 0.000 1.061 80 W CA -0.712 56.673 57.345 0.066 0.000 1.296 80 W CB 0.806 30.311 29.460 0.076 0.000 1.223 80 W HN 0.186 nan 8.180 nan 0.000 0.421 81 E N 4.057 124.341 120.200 0.140 0.000 2.191 81 E HA 0.681 5.030 4.350 -0.000 0.000 0.278 81 E C -0.648 176.034 176.600 0.136 0.000 0.972 81 E CA -0.943 55.521 56.400 0.106 0.000 0.804 81 E CB 1.392 31.110 29.700 0.029 0.000 1.110 81 E HN 0.407 nan 8.360 nan 0.000 0.394 82 L N -1.160 120.131 121.223 0.114 0.000 2.940 82 L HA 0.435 4.775 4.340 -0.000 0.000 0.270 82 L C -0.845 176.066 176.870 0.069 0.000 1.030 82 L CA -1.164 53.735 54.840 0.099 0.000 0.928 82 L CB 1.012 43.144 42.059 0.122 0.000 1.506 82 L HN 0.167 nan 8.230 nan 0.000 0.405 83 D N 1.148 121.581 120.400 0.055 0.000 2.441 83 D HA 0.123 4.763 4.640 -0.000 0.000 0.243 83 D C 0.926 177.252 176.300 0.042 0.000 1.257 83 D CA 0.081 54.106 54.000 0.042 0.000 1.027 83 D CB 0.659 41.480 40.800 0.034 0.000 1.084 83 D HN 0.486 nan 8.370 nan 0.000 0.514 84 R N 2.115 122.642 120.500 0.045 0.000 2.127 84 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 84 R C 1.284 177.604 176.300 0.033 0.000 1.134 84 R CA 0.736 56.862 56.100 0.043 0.000 0.975 84 R CB -0.010 30.318 30.300 0.046 0.000 0.865 84 R HN 0.518 nan 8.270 nan 0.000 0.447 85 E N 0.511 120.729 120.200 0.030 0.000 2.418 85 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 85 E C 1.674 178.288 176.600 0.023 0.000 1.026 85 E CA 1.031 57.446 56.400 0.025 0.000 0.862 85 E CB 0.048 29.761 29.700 0.022 0.000 0.799 85 E HN 0.324 nan 8.360 nan 0.000 0.518 86 S N -0.165 115.550 115.700 0.025 0.000 2.528 86 S HA 0.023 4.493 4.470 -0.000 0.000 0.219 86 S C 0.983 175.595 174.600 0.021 0.000 0.985 86 S CA -0.300 57.914 58.200 0.023 0.000 0.914 86 S CB 0.002 63.216 63.200 0.024 0.000 0.776 86 S HN -0.102 nan 8.310 nan 0.000 0.526 87 V N 2.901 122.827 119.914 0.020 0.000 2.479 87 V HA 0.394 4.514 4.120 -0.000 0.000 0.281 87 V C 0.217 176.318 176.094 0.012 0.000 1.031 87 V CA -0.087 62.221 62.300 0.013 0.000 1.038 87 V CB -0.270 31.561 31.823 0.013 0.000 0.981 87 V HN 0.416 nan 8.190 nan 0.000 0.478 88 R N 5.136 125.643 120.500 0.012 0.000 2.574 88 R HA 0.536 4.876 4.340 -0.000 0.000 0.288 88 R C -2.638 173.677 176.300 0.026 0.000 1.004 88 R CA -1.448 54.666 56.100 0.024 0.000 0.895 88 R CB 2.010 32.334 30.300 0.039 0.000 1.191 88 R HN 0.590 nan 8.270 nan 0.000 0.444 89 P HA 0.126 nan 4.420 nan 0.000 0.275 89 P C -0.995 176.438 177.300 0.222 0.000 1.228 89 P CA -0.388 62.749 63.100 0.061 0.000 0.786 89 P CB 0.779 32.456 31.700 -0.039 0.000 0.927 90 N N 1.869 120.763 118.700 0.322 0.000 2.762 90 N HA 0.025 4.765 4.740 -0.000 0.000 0.252 90 N C 0.813 176.525 175.510 0.336 0.000 1.269 90 N CA -0.631 52.588 53.050 0.281 0.000 0.799 90 N CB -0.031 38.553 38.487 0.162 0.000 1.173 90 N HN 0.550 nan 8.380 nan 0.000 0.516 91 W N 3.716 125.129 121.300 0.187 0.000 2.290 91 W HA -0.277 4.383 4.660 -0.000 0.000 0.323 91 W C 0.812 177.337 176.519 0.011 0.000 1.260 91 W CA 1.772 59.133 57.345 0.028 0.000 1.266 91 W CB 0.055 29.538 29.460 0.038 0.000 1.149 91 W HN 0.447 nan 8.180 nan 0.000 0.482 92 K N 0.062 120.647 120.400 0.307 0.000 2.173 92 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 92 K C 2.273 178.886 176.600 0.021 0.000 1.046 92 K CA 1.986 58.371 56.287 0.162 0.000 0.929 92 K CB -0.587 32.019 32.500 0.177 0.000 0.720 92 K HN 0.194 nan 8.250 nan 0.000 0.453 93 A N 1.225 124.059 122.820 0.022 0.000 1.872 93 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 93 A C 2.099 179.634 177.584 -0.081 0.000 1.187 93 A CA 0.898 52.931 52.037 -0.007 0.000 0.614 93 A CB -0.494 18.522 19.000 0.028 0.000 0.826 93 A HN 0.234 nan 8.150 nan 0.000 0.442 94 L N 0.273 121.404 121.223 -0.154 0.000 2.013 94 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 94 L C 2.135 178.814 176.870 -0.319 0.000 1.073 94 L CA 1.928 56.604 54.840 -0.274 0.000 0.753 94 L CB -0.406 41.322 42.059 -0.552 0.000 0.890 94 L HN 0.378 nan 8.230 nan 0.000 0.432 95 I N -0.190 120.135 120.570 -0.409 0.000 2.226 95 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 95 I C 2.644 178.695 176.117 -0.110 0.000 1.100 95 I CA 1.396 62.517 61.300 -0.299 0.000 1.374 95 I CB -1.849 35.972 38.000 -0.297 0.000 1.057 95 I HN 0.409 nan 8.210 nan 0.000 0.413 96 A N 1.272 124.056 122.820 -0.060 0.000 1.835 96 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 96 A C 2.657 180.224 177.584 -0.028 0.000 1.199 96 A CA 2.299 54.333 52.037 -0.006 0.000 0.615 96 A CB -1.129 17.876 19.000 0.007 0.000 0.838 96 A HN 0.391 nan 8.150 nan 0.000 0.444 97 A N -0.054 122.735 122.820 -0.053 0.000 1.909 97 A HA -0.322 3.998 4.320 -0.000 0.000 0.221 97 A C 2.214 179.749 177.584 -0.082 0.000 1.223 97 A CA 2.688 54.689 52.037 -0.061 0.000 0.658 97 A CB -0.655 18.303 19.000 -0.069 0.000 0.831 97 A HN 0.509 nan 8.150 nan 0.000 0.462 98 K N -0.364 119.963 120.400 -0.122 0.000 2.009 98 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 98 K C 1.767 178.278 176.600 -0.148 0.000 1.049 98 K CA 1.998 58.193 56.287 -0.153 0.000 0.929 98 K CB -0.610 31.771 32.500 -0.198 0.000 0.714 98 K HN 0.484 nan 8.250 nan 0.000 0.440 99 N N 1.502 120.151 118.700 -0.085 0.000 2.037 99 N HA -0.189 4.550 4.740 -0.000 0.000 0.196 99 N C 1.731 177.255 175.510 0.023 0.000 1.034 99 N CA 1.667 54.720 53.050 0.006 0.000 0.861 99 N CB -0.414 38.190 38.487 0.196 0.000 1.039 99 N HN 0.198 nan 8.380 nan 0.000 0.427 100 K N 0.922 121.335 120.400 0.020 0.000 2.113 100 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 100 K C 1.988 178.577 176.600 -0.019 0.000 1.047 100 K CA 1.329 57.628 56.287 0.020 0.000 0.928 100 K CB -0.478 32.023 32.500 0.002 0.000 0.716 100 K HN 0.256 nan 8.250 nan 0.000 0.446 101 A N 0.433 123.211 122.820 -0.070 0.000 1.828 101 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 101 A C 2.343 179.854 177.584 -0.121 0.000 1.203 101 A CA 1.864 53.842 52.037 -0.099 0.000 0.614 101 A CB -1.024 17.903 19.000 -0.122 0.000 0.844 101 A HN 0.032 nan 8.150 nan 0.000 0.445 102 V N 0.406 120.202 119.914 -0.197 0.000 2.317 102 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 102 V C 2.802 178.845 176.094 -0.086 0.000 1.065 102 V CA 2.538 64.695 62.300 -0.238 0.000 1.049 102 V CB -1.136 30.373 31.823 -0.523 0.000 0.651 102 V HN 0.572 nan 8.190 nan 0.000 0.450 103 S N 0.482 116.208 115.700 0.042 0.000 2.359 103 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 103 S C 2.155 176.774 174.600 0.031 0.000 1.035 103 S CA 1.453 59.756 58.200 0.172 0.000 1.018 103 S CB -0.950 62.404 63.200 0.257 0.000 0.876 103 S HN 0.718 nan 8.310 nan 0.000 0.448 104 G N 1.875 110.669 108.800 -0.011 0.000 2.505 104 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 104 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 104 G C 1.316 176.138 174.900 -0.131 0.000 1.145 104 G CA 1.017 46.083 45.100 -0.058 0.000 0.761 104 G HN 0.508 nan 8.290 nan 0.000 0.571 105 I N 0.576 121.049 120.570 -0.162 0.000 2.315 105 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 105 I C 2.513 178.428 176.117 -0.337 0.000 1.117 105 I CA 1.232 62.361 61.300 -0.284 0.000 1.404 105 I CB -0.399 37.471 38.000 -0.216 0.000 1.071 105 I HN 0.222 nan 8.210 nan 0.000 0.419 106 N N 0.640 119.247 118.700 -0.155 0.000 2.188 106 N HA -0.179 4.561 4.740 -0.000 0.000 0.184 106 N C 1.394 176.795 175.510 -0.182 0.000 1.018 106 N CA 1.047 54.019 53.050 -0.131 0.000 0.858 106 N CB -0.003 38.297 38.487 -0.312 0.000 0.989 106 N HN 0.223 nan 8.380 nan 0.000 0.426 107 D N 0.040 120.344 120.400 -0.159 0.000 2.117 107 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 107 D C 2.145 178.394 176.300 -0.085 0.000 0.987 107 D CA 1.165 55.116 54.000 -0.081 0.000 0.829 107 D CB -0.398 40.388 40.800 -0.023 0.000 0.961 107 D HN 0.256 nan 8.370 nan 0.000 0.460 108 S N -0.484 115.111 115.700 -0.175 0.000 2.399 108 S HA -0.200 4.270 4.470 -0.000 0.000 0.231 108 S C 2.051 176.567 174.600 -0.139 0.000 1.022 108 S CA 0.591 58.673 58.200 -0.198 0.000 0.983 108 S CB -0.679 62.327 63.200 -0.324 0.000 0.803 108 S HN 0.183 nan 8.310 nan 0.000 0.480 109 Y N 2.442 122.712 120.300 -0.049 0.000 2.224 109 Y HA 0.014 4.564 4.550 -0.000 0.000 0.289 109 Y C 2.543 178.513 175.900 0.117 0.000 1.146 109 Y CA 0.869 58.968 58.100 -0.001 0.000 1.182 109 Y CB -0.754 37.686 38.460 -0.032 0.000 0.983 109 Y HN 0.468 nan 8.280 nan 0.000 0.524 110 E N -1.138 119.179 120.200 0.194 0.000 2.106 110 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 110 E C 2.495 179.229 176.600 0.224 0.000 0.984 110 E CA 0.915 57.408 56.400 0.156 0.000 0.806 110 E CB -0.485 29.229 29.700 0.023 0.000 0.750 110 E HN 0.501 nan 8.360 nan 0.000 0.458 111 G N 1.313 110.200 108.800 0.145 0.000 2.471 111 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 111 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 111 G C 1.482 176.480 174.900 0.163 0.000 1.125 111 G CA 0.428 45.602 45.100 0.124 0.000 0.775 111 G HN 0.130 nan 8.290 nan 0.000 0.548 112 M N -0.517 119.194 119.600 0.184 0.000 2.117 112 M HA -0.003 4.477 4.480 -0.000 0.000 0.262 112 M C 2.135 178.540 176.300 0.175 0.000 1.065 112 M CA 1.482 56.859 55.300 0.127 0.000 1.114 112 M CB -0.199 32.416 32.600 0.024 0.000 1.361 112 M HN 0.226 nan 8.290 nan 0.000 0.408 113 F N 0.454 120.507 119.950 0.171 0.000 2.146 113 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 113 F C 2.704 178.586 175.800 0.137 0.000 1.096 113 F CA 1.314 59.416 58.000 0.171 0.000 1.275 113 F CB -1.128 37.963 39.000 0.151 0.000 1.008 113 F HN 0.237 nan 8.300 nan 0.000 0.480 114 A N -0.633 122.371 122.820 0.305 0.000 2.024 114 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 114 A C 1.262 178.935 177.584 0.149 0.000 1.164 114 A CA 1.966 54.116 52.037 0.187 0.000 0.643 114 A CB -0.670 18.413 19.000 0.138 0.000 0.806 114 A HN 0.355 nan 8.150 nan 0.000 0.451 115 D N -0.329 120.169 120.400 0.162 0.000 2.643 115 D HA 0.163 4.803 4.640 -0.000 0.000 0.244 115 D C -0.727 175.656 176.300 0.138 0.000 1.257 115 D CA 0.313 54.394 54.000 0.135 0.000 0.831 115 D CB 0.387 41.268 40.800 0.134 0.000 1.043 115 D HN 0.131 nan 8.370 nan 0.000 0.488 116 T N 0.765 115.391 114.554 0.119 0.000 3.078 116 T HA 0.102 4.452 4.350 -0.000 0.000 0.328 116 T C -0.260 174.450 174.700 0.016 0.000 0.987 116 T CA -0.597 61.518 62.100 0.025 0.000 1.049 116 T CB 2.167 71.045 68.868 0.017 0.000 1.011 116 T HN -0.078 nan 8.240 nan 0.000 0.463 117 E N 1.594 121.783 120.200 -0.020 0.000 2.415 117 E HA 0.412 4.762 4.350 -0.000 0.000 0.260 117 E C 1.359 177.948 176.600 -0.019 0.000 1.016 117 E CA 1.668 58.065 56.400 -0.006 0.000 0.924 117 E CB -0.156 29.530 29.700 -0.024 0.000 0.961 117 E HN 0.893 nan 8.360 nan 0.000 0.459 118 G N 3.382 112.202 108.800 0.034 0.000 2.254 118 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.225 118 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.225 118 G C -0.344 174.621 174.900 0.107 0.000 1.003 118 G CA -0.022 45.104 45.100 0.044 0.000 0.622 118 G HN 0.520 nan 8.290 nan 0.000 0.507 119 L N 2.445 123.737 121.223 0.116 0.000 2.265 119 L HA 0.787 5.127 4.340 -0.000 0.000 0.288 119 L C 0.388 177.495 176.870 0.395 0.000 1.058 119 L CA 0.441 55.401 54.840 0.201 0.000 0.809 119 L CB 1.441 43.549 42.059 0.081 0.000 1.179 119 L HN 0.500 nan 8.230 nan 0.000 0.429 120 T N 3.785 118.640 114.554 0.502 0.000 2.916 120 T HA 0.471 4.821 4.350 -0.000 0.000 0.298 120 T C -0.847 174.141 174.700 0.480 0.000 1.031 120 T CA -0.525 61.871 62.100 0.493 0.000 0.993 120 T CB 0.604 69.701 68.868 0.381 0.000 1.045 120 T HN 0.286 nan 8.240 nan 0.000 0.454 121 F N 4.104 123.963 119.950 -0.152 0.000 2.379 121 F HA 0.617 5.144 4.527 0.000 0.000 0.332 121 F C -0.053 175.494 175.800 -0.422 0.000 1.096 121 F CA -0.526 57.200 58.000 -0.456 0.000 1.105 121 F CB 0.880 39.126 39.000 -1.256 0.000 1.189 121 F HN 0.671 nan 8.300 nan 0.000 0.515 122 H N 4.677 123.009 119.070 -1.230 0.000 2.934 122 H HA 0.139 4.695 4.556 -0.000 0.000 0.340 122 H C -1.271 173.462 175.328 -0.992 0.000 1.008 122 H CA -0.748 54.833 56.048 -0.778 0.000 1.317 122 H CB 1.959 31.463 29.762 -0.429 0.000 1.670 122 H HN 0.596 nan 8.280 nan 0.000 0.516 123 Q N 2.673 122.161 119.800 -0.520 0.000 2.322 123 Q HA 0.510 4.850 4.340 -0.000 0.000 0.256 123 Q C -0.299 175.618 176.000 -0.139 0.000 0.960 123 Q CA -0.397 55.237 55.803 -0.282 0.000 0.934 123 Q CB 0.841 29.580 28.738 0.002 0.000 1.200 123 Q HN 1.001 nan 8.270 nan 0.000 0.435 124 G N 2.420 111.116 108.800 -0.175 0.000 2.351 124 G HA2 0.071 4.031 3.960 -0.000 0.000 0.279 124 G HA3 0.071 4.031 3.960 -0.000 0.000 0.279 124 G C -1.817 172.958 174.900 -0.208 0.000 1.297 124 G CA -0.960 44.087 45.100 -0.089 0.000 0.886 124 G HN 0.398 nan 8.290 nan 0.000 0.493 125 F N 2.429 122.314 119.950 -0.109 0.000 2.303 125 F HA 0.539 5.066 4.527 -0.000 0.000 0.368 125 F C 1.275 177.022 175.800 -0.088 0.000 1.105 125 F CA -0.098 57.837 58.000 -0.107 0.000 1.153 125 F CB 1.258 40.199 39.000 -0.098 0.000 1.362 125 F HN 0.668 nan 8.300 nan 0.000 0.511 126 G N 2.078 110.876 108.800 -0.003 0.000 2.305 126 G HA2 0.433 4.393 3.960 -0.000 0.000 0.243 126 G HA3 0.433 4.393 3.960 -0.000 0.000 0.243 126 G C -0.523 174.385 174.900 0.013 0.000 1.288 126 G CA -0.035 45.053 45.100 -0.020 0.000 0.901 126 G HN 0.826 nan 8.290 nan 0.000 0.516 127 A N 2.490 125.313 122.820 0.006 0.000 2.454 127 A HA 0.747 5.067 4.320 -0.000 0.000 0.302 127 A C -0.455 177.126 177.584 -0.005 0.000 1.079 127 A CA -0.735 51.306 52.037 0.007 0.000 0.731 127 A CB 1.378 20.385 19.000 0.012 0.000 1.299 127 A HN 0.675 nan 8.150 nan 0.000 0.413 128 L N 1.741 122.961 121.223 -0.006 0.000 2.275 128 L HA 0.339 4.679 4.340 -0.000 0.000 0.288 128 L C 1.336 178.203 176.870 -0.004 0.000 1.046 128 L CA -0.181 54.654 54.840 -0.008 0.000 0.805 128 L CB 1.694 43.745 42.059 -0.013 0.000 1.193 128 L HN 1.104 nan 8.230 nan 0.000 0.426 129 Q N 2.212 122.012 119.800 0.001 0.000 2.200 129 Q HA 0.023 4.363 4.340 -0.000 0.000 0.197 129 Q C -0.338 175.666 176.000 0.006 0.000 0.953 129 Q CA 0.719 56.525 55.803 0.005 0.000 0.851 129 Q CB 0.763 29.508 28.738 0.012 0.000 0.938 129 Q HN 0.834 nan 8.270 nan 0.000 0.488 130 D N -1.540 118.866 120.400 0.010 0.000 2.622 130 D HA -0.059 4.581 4.640 -0.000 0.000 0.255 130 D C -0.487 175.807 176.300 -0.009 0.000 1.246 130 D CA -0.154 53.851 54.000 0.008 0.000 0.795 130 D CB -0.033 40.784 40.800 0.030 0.000 1.369 130 D HN 0.258 nan 8.370 nan 0.000 0.425 131 N N -0.494 118.173 118.700 -0.055 0.000 2.661 131 N HA -0.236 4.504 4.740 -0.000 0.000 0.196 131 N C 0.501 175.799 175.510 -0.352 0.000 1.129 131 N CA 1.259 54.199 53.050 -0.184 0.000 0.938 131 N CB -0.317 38.030 38.487 -0.234 0.000 0.966 131 N HN 0.412 nan 8.380 nan 0.000 0.450 132 H N -2.364 116.710 119.070 0.006 0.000 3.540 132 H HA 0.222 4.778 4.556 -0.000 0.000 0.259 132 H C -0.495 174.846 175.328 0.023 0.000 1.197 132 H CA -0.118 55.937 56.048 0.012 0.000 1.136 132 H CB 0.955 30.717 29.762 0.000 0.000 1.605 132 H HN 0.133 nan 8.280 nan 0.000 0.657 133 T N 1.852 116.470 114.554 0.106 0.000 2.847 133 T HA 0.345 4.694 4.350 -0.000 0.000 0.291 133 T C -0.148 174.568 174.700 0.027 0.000 0.998 133 T CA -0.383 61.758 62.100 0.068 0.000 0.967 133 T CB 2.499 71.402 68.868 0.058 0.000 0.954 133 T HN -0.167 nan 8.240 nan 0.000 0.441 134 V N 4.916 124.835 119.914 0.008 0.000 2.328 134 V HA 0.350 4.470 4.120 -0.000 0.000 0.278 134 V C -0.498 175.575 176.094 -0.034 0.000 1.021 134 V CA -0.819 61.466 62.300 -0.026 0.000 0.838 134 V CB 1.076 32.861 31.823 -0.063 0.000 0.999 134 V HN 0.651 nan 8.190 nan 0.000 0.447 135 L N 6.450 127.661 121.223 -0.019 0.000 2.278 135 L HA 0.323 4.662 4.340 -0.000 0.000 0.287 135 L C 0.165 177.025 176.870 -0.016 0.000 1.072 135 L CA 0.360 55.193 54.840 -0.012 0.000 0.819 135 L CB 1.402 43.460 42.059 -0.001 0.000 1.176 135 L HN 0.398 nan 8.230 nan 0.000 0.435 136 V N 5.560 125.461 119.914 -0.022 0.000 2.284 136 V HA 0.358 4.478 4.120 -0.000 0.000 0.260 136 V C 0.789 176.894 176.094 0.018 0.000 1.084 136 V CA -0.662 61.627 62.300 -0.019 0.000 0.894 136 V CB 0.323 32.119 31.823 -0.046 0.000 1.119 136 V HN 0.655 nan 8.190 nan 0.000 0.484 137 R N 1.982 122.512 120.500 0.049 0.000 2.571 137 R HA 0.308 4.648 4.340 -0.000 0.000 0.259 137 R C 1.524 177.878 176.300 0.090 0.000 1.226 137 R CA -0.287 55.844 56.100 0.053 0.000 1.157 137 R CB 0.647 30.965 30.300 0.030 0.000 1.220 137 R HN 0.707 nan 8.270 nan 0.000 0.605 138 E N -0.498 119.733 120.200 0.051 0.000 2.190 138 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 138 E C -0.109 176.521 176.600 0.050 0.000 0.978 138 E CA 0.462 56.899 56.400 0.062 0.000 0.839 138 E CB 0.400 30.111 29.700 0.019 0.000 0.787 138 E HN 0.438 nan 8.360 nan 0.000 0.473 139 S N -2.015 113.602 115.700 -0.139 0.000 2.819 139 S HA 0.586 5.056 4.470 -0.000 0.000 0.299 139 S C 0.618 174.615 174.600 -1.004 0.000 1.192 139 S CA -0.189 57.666 58.200 -0.574 0.000 0.847 139 S CB 0.787 63.789 63.200 -0.331 0.000 1.224 139 S HN 0.052 nan 8.310 nan 0.000 0.537 140 A N 0.309 122.411 122.820 -1.197 0.000 2.067 140 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 140 A C 0.720 178.090 177.584 -0.357 0.000 1.156 140 A CA 0.844 52.404 52.037 -0.794 0.000 0.683 140 A CB -0.967 17.701 19.000 -0.552 0.000 0.808 140 A HN 0.760 nan 8.150 nan 0.000 0.455 141 D N 0.017 120.239 120.400 -0.297 0.000 2.434 141 D HA 0.159 4.799 4.640 -0.000 0.000 0.252 141 D C -1.631 174.593 176.300 -0.126 0.000 1.185 141 D CA -1.721 52.179 54.000 -0.166 0.000 0.886 141 D CB 1.096 41.817 40.800 -0.133 0.000 1.148 141 D HN 0.030 nan 8.370 nan 0.000 0.483 142 P HA -0.087 nan 4.420 nan 0.000 0.219 142 P C -0.024 177.247 177.300 -0.049 0.000 1.146 142 P CA 0.893 63.957 63.100 -0.060 0.000 0.808 142 P CB 0.226 31.899 31.700 -0.045 0.000 0.779 143 N N -0.512 118.157 118.700 -0.051 0.000 2.994 143 N HA 0.114 4.854 4.740 -0.000 0.000 0.306 143 N C -0.267 175.216 175.510 -0.044 0.000 1.348 143 N CA 0.291 53.318 53.050 -0.039 0.000 1.109 143 N CB 0.055 38.521 38.487 -0.034 0.000 1.415 143 N HN 0.037 nan 8.380 nan 0.000 0.529 144 S N 0.469 116.138 115.700 -0.050 0.000 2.608 144 S HA 0.509 4.979 4.470 -0.000 0.000 0.291 144 S C 0.274 174.858 174.600 -0.026 0.000 1.146 144 S CA -0.755 57.415 58.200 -0.051 0.000 1.043 144 S CB 1.678 64.831 63.200 -0.079 0.000 1.037 144 S HN 0.446 nan 8.310 nan 0.000 0.520 145 A N 2.428 125.238 122.820 -0.016 0.000 2.496 145 A HA 0.255 4.575 4.320 -0.000 0.000 0.278 145 A C 0.125 177.711 177.584 0.003 0.000 1.137 145 A CA -0.283 51.752 52.037 -0.004 0.000 0.805 145 A CB -0.573 18.428 19.000 0.002 0.000 1.077 145 A HN 0.655 nan 8.150 nan 0.000 0.513 146 V N 5.963 125.879 119.914 0.003 0.000 2.416 146 V HA -0.097 4.023 4.120 -0.000 0.000 0.267 146 V C 1.477 177.580 176.094 0.015 0.000 1.007 146 V CA 0.538 62.843 62.300 0.009 0.000 1.102 146 V CB -0.518 31.309 31.823 0.007 0.000 1.035 146 V HN 0.849 nan 8.190 nan 0.000 0.473 147 L N 4.038 125.273 121.223 0.020 0.000 2.217 147 L HA 0.091 4.431 4.340 -0.000 0.000 0.211 147 L C 0.919 177.806 176.870 0.029 0.000 1.107 147 L CA 0.924 55.779 54.840 0.024 0.000 0.783 147 L CB -0.304 41.771 42.059 0.027 0.000 0.919 147 L HN 0.895 nan 8.230 nan 0.000 0.442 148 E N -2.053 118.163 120.200 0.027 0.000 2.401 148 E HA 0.257 4.607 4.350 -0.000 0.000 0.283 148 E C -1.277 175.335 176.600 0.021 0.000 1.053 148 E CA -0.728 55.693 56.400 0.036 0.000 0.842 148 E CB 0.994 30.735 29.700 0.068 0.000 1.222 148 E HN -0.263 nan 8.360 nan 0.000 0.429 149 T N 2.730 117.304 114.554 0.033 0.000 2.772 149 T HA 0.395 4.745 4.350 -0.000 0.000 0.288 149 T C -0.297 174.433 174.700 0.050 0.000 0.994 149 T CA -0.576 61.541 62.100 0.027 0.000 0.951 149 T CB 0.294 69.181 68.868 0.031 0.000 0.933 149 T HN 0.283 nan 8.240 nan 0.000 0.447 150 L N 3.387 124.619 121.223 0.015 0.000 2.289 150 L HA 0.477 4.816 4.340 -0.000 0.000 0.285 150 L C 0.217 177.155 176.870 0.114 0.000 1.049 150 L CA -0.811 54.062 54.840 0.055 0.000 0.804 150 L CB 1.258 43.186 42.059 -0.219 0.000 1.195 150 L HN 0.620 nan 8.230 nan 0.000 0.428 151 D N 1.745 122.275 120.400 0.217 0.000 2.198 151 D HA 0.447 5.087 4.640 -0.000 0.000 0.245 151 D C -0.698 175.743 176.300 0.235 0.000 1.079 151 D CA 0.054 54.153 54.000 0.165 0.000 0.854 151 D CB 1.551 42.409 40.800 0.097 0.000 1.148 151 D HN 0.403 nan 8.370 nan 0.000 0.456 152 T N 2.310 116.986 114.554 0.205 0.000 2.889 152 T HA 0.184 4.534 4.350 -0.000 0.000 0.315 152 T C 0.250 175.140 174.700 0.317 0.000 1.291 152 T CA -0.523 61.724 62.100 0.244 0.000 1.028 152 T CB 1.744 70.742 68.868 0.216 0.000 1.235 152 T HN 0.424 nan 8.240 nan 0.000 0.491 153 E N 1.591 121.953 120.200 0.269 0.000 2.011 153 E HA 0.157 4.507 4.350 -0.000 0.000 0.191 153 E C -0.579 176.057 176.600 0.059 0.000 0.979 153 E CA 1.505 58.018 56.400 0.188 0.000 0.822 153 E CB -0.019 29.784 29.700 0.170 0.000 0.782 153 E HN 0.617 nan 8.360 nan 0.000 0.459 154 Y N -0.382 120.093 120.300 0.291 0.000 2.387 154 Y HA 0.480 5.030 4.550 0.000 0.000 0.336 154 Y C -0.135 175.901 175.900 0.227 0.000 1.067 154 Y CA -0.739 57.519 58.100 0.263 0.000 1.114 154 Y CB 1.332 39.973 38.460 0.301 0.000 1.208 154 Y HN -0.028 nan 8.280 nan 0.000 0.458 155 I N 4.158 124.930 120.570 0.336 0.000 2.509 155 I HA 0.356 4.526 4.170 -0.000 0.000 0.293 155 I C -1.371 174.842 176.117 0.159 0.000 1.020 155 I CA -1.031 60.383 61.300 0.191 0.000 1.088 155 I CB 1.974 40.021 38.000 0.078 0.000 1.267 155 I HN 0.292 nan 8.210 nan 0.000 0.430 156 L N 7.418 128.669 121.223 0.047 0.000 2.342 156 L HA 0.514 4.854 4.340 -0.000 0.000 0.276 156 L C -1.259 175.567 176.870 -0.075 0.000 0.997 156 L CA -0.500 54.268 54.840 -0.121 0.000 0.838 156 L CB 1.175 43.033 42.059 -0.336 0.000 1.224 156 L HN 0.338 nan 8.230 nan 0.000 0.416 157 L N 5.647 126.834 121.223 -0.061 0.000 2.265 157 L HA 0.712 5.052 4.340 -0.000 0.000 0.288 157 L C 0.596 177.438 176.870 -0.046 0.000 1.058 157 L CA -0.246 54.570 54.840 -0.040 0.000 0.809 157 L CB 0.784 42.827 42.059 -0.025 0.000 1.179 157 L HN 0.797 nan 8.230 nan 0.000 0.429 158 A N 1.292 124.093 122.820 -0.031 0.000 3.415 158 A HA 0.340 4.660 4.320 -0.000 0.000 0.244 158 A C 0.877 178.465 177.584 0.006 0.000 0.988 158 A CA 0.125 52.151 52.037 -0.017 0.000 0.991 158 A CB -0.190 18.792 19.000 -0.030 0.000 1.240 158 A HN 0.701 nan 8.150 nan 0.000 0.541 159 T N -2.634 111.926 114.554 0.010 0.000 3.148 159 T HA 0.436 4.786 4.350 -0.000 0.000 0.253 159 T C 1.321 176.056 174.700 0.060 0.000 1.134 159 T CA 1.119 63.231 62.100 0.020 0.000 1.051 159 T CB -0.314 68.555 68.868 0.002 0.000 0.959 159 T HN 2.160 nan 8.240 nan 0.000 0.525 160 G N 1.613 110.455 108.800 0.070 0.000 2.598 160 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.244 160 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.244 160 G C -0.086 174.896 174.900 0.138 0.000 1.302 160 G CA -0.169 44.996 45.100 0.108 0.000 0.903 160 G HN 1.403 nan 8.290 nan 0.000 0.575 161 S N -1.356 114.459 115.700 0.191 0.000 2.806 161 S HA 0.861 5.331 4.470 -0.000 0.000 0.315 161 S C -0.583 174.254 174.600 0.395 0.000 1.127 161 S CA 0.031 58.369 58.200 0.231 0.000 0.918 161 S CB 2.675 65.979 63.200 0.174 0.000 1.240 161 S HN 1.615 nan 8.310 nan 0.000 0.552 162 W N 0.353 121.707 121.300 0.089 0.000 3.074 162 W HA 0.424 5.085 4.660 0.000 0.000 0.332 162 W C -3.429 173.143 176.519 0.089 0.000 1.253 162 W CA -2.313 55.093 57.345 0.102 0.000 1.180 162 W CB 1.584 31.114 29.460 0.117 0.000 1.445 162 W HN 0.446 nan 8.180 nan 0.000 0.573 163 P HA 0.015 nan 4.420 nan 0.000 0.271 163 P C -0.896 176.400 177.300 -0.007 0.000 1.216 163 P CA 0.428 63.374 63.100 -0.257 0.000 0.771 163 P CB 0.721 32.126 31.700 -0.493 0.000 0.864 164 Q N 3.373 123.180 119.800 0.011 0.000 2.261 164 Q HA 0.160 4.499 4.340 -0.000 0.000 0.252 164 Q C -0.572 175.451 176.000 0.038 0.000 0.915 164 Q CA -0.268 55.599 55.803 0.107 0.000 0.915 164 Q CB 0.461 29.242 28.738 0.071 0.000 1.204 164 Q HN 0.549 nan 8.270 nan 0.000 0.421 165 H N 2.399 121.493 119.070 0.040 0.000 2.615 165 H HA 0.365 4.921 4.556 -0.000 0.000 0.346 165 H C -0.593 174.749 175.328 0.024 0.000 1.200 165 H CA -0.742 55.318 56.048 0.021 0.000 1.264 165 H CB 1.207 30.991 29.762 0.036 0.000 1.699 165 H HN 0.467 nan 8.280 nan 0.000 0.567 166 L N -0.641 120.661 121.223 0.133 0.000 2.400 166 L HA 0.313 4.652 4.340 -0.000 0.000 0.264 166 L C 1.571 178.496 176.870 0.093 0.000 1.061 166 L CA -0.044 54.846 54.840 0.083 0.000 0.799 166 L CB 0.708 42.794 42.059 0.045 0.000 1.240 166 L HN 0.826 nan 8.230 nan 0.000 0.461 167 G N 0.232 109.069 108.800 0.062 0.000 3.605 167 G HA2 0.295 4.255 3.960 -0.000 0.000 0.277 167 G HA3 0.295 4.255 3.960 -0.000 0.000 0.277 167 G C 0.384 175.305 174.900 0.035 0.000 1.093 167 G CA -0.128 45.002 45.100 0.049 0.000 0.821 167 G HN 0.515 nan 8.290 nan 0.000 0.532 168 I N -3.154 117.436 120.570 0.032 0.000 3.138 168 I HA 0.385 4.555 4.170 -0.000 0.000 0.288 168 I C 0.271 176.397 176.117 0.016 0.000 1.148 168 I CA -0.830 60.481 61.300 0.019 0.000 1.315 168 I CB 0.852 38.857 38.000 0.008 0.000 1.426 168 I HN -0.119 nan 8.210 nan 0.000 0.615 169 E N 2.333 122.538 120.200 0.008 0.000 2.366 169 E HA 0.186 4.535 4.350 -0.000 0.000 0.266 169 E C 0.811 177.414 176.600 0.005 0.000 1.015 169 E CA 0.950 57.354 56.400 0.007 0.000 0.906 169 E CB 0.365 30.067 29.700 0.004 0.000 0.979 169 E HN 1.036 nan 8.360 nan 0.000 0.443 170 G N 4.643 113.449 108.800 0.011 0.000 2.141 170 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.242 170 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.242 170 G C 0.609 175.519 174.900 0.017 0.000 0.982 170 G CA 0.482 45.589 45.100 0.011 0.000 0.662 170 G HN 0.758 nan 8.290 nan 0.000 0.527 171 D N 1.451 121.869 120.400 0.031 0.000 2.123 171 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 171 D C 2.193 178.541 176.300 0.081 0.000 0.992 171 D CA 1.721 55.758 54.000 0.061 0.000 0.833 171 D CB -0.118 40.737 40.800 0.091 0.000 0.954 171 D HN 0.536 nan 8.370 nan 0.000 0.455 172 D N -0.035 120.401 120.400 0.061 0.000 2.384 172 D HA -0.174 4.466 4.640 -0.000 0.000 0.222 172 D C 1.925 178.251 176.300 0.043 0.000 0.976 172 D CA 0.431 54.465 54.000 0.056 0.000 0.915 172 D CB -0.302 40.518 40.800 0.033 0.000 0.896 172 D HN 0.385 nan 8.370 nan 0.000 0.523 173 L N 0.220 121.460 121.223 0.029 0.000 2.529 173 L HA 0.111 4.451 4.340 -0.000 0.000 0.223 173 L C 0.928 177.798 176.870 0.001 0.000 1.113 173 L CA -0.063 54.785 54.840 0.014 0.000 0.861 173 L CB 0.345 42.409 42.059 0.007 0.000 1.012 173 L HN 0.059 nan 8.230 nan 0.000 0.461 174 C N 0.054 119.354 119.300 0.000 0.000 2.362 174 C HA 0.528 4.988 4.460 -0.000 0.000 0.363 174 C C 0.579 175.545 174.990 -0.041 0.000 1.220 174 C CA -1.288 57.708 59.018 -0.036 0.000 2.379 174 C CB 0.636 28.342 27.740 -0.057 0.000 2.351 174 C HN 0.245 nan 8.230 nan 0.000 0.582 175 I N -0.018 120.496 120.570 -0.092 0.000 3.100 175 I HA 0.874 5.044 4.170 -0.000 0.000 0.312 175 I C 0.180 176.169 176.117 -0.213 0.000 1.063 175 I CA -0.229 60.999 61.300 -0.119 0.000 1.031 175 I CB 1.845 39.782 38.000 -0.105 0.000 1.243 175 I HN 0.743 nan 8.210 nan 0.000 0.483 176 T N -1.982 112.405 114.554 -0.279 0.000 2.858 176 T HA 0.320 4.670 4.350 -0.000 0.000 0.285 176 T C 0.892 175.321 174.700 -0.451 0.000 1.052 176 T CA -0.047 61.822 62.100 -0.385 0.000 1.009 176 T CB 1.177 69.780 68.868 -0.441 0.000 1.241 176 T HN 0.787 nan 8.240 nan 0.000 0.542 177 S N 0.781 116.158 115.700 -0.538 0.000 2.419 177 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 177 S C 1.661 176.054 174.600 -0.345 0.000 1.019 177 S CA 1.054 58.840 58.200 -0.690 0.000 0.982 177 S CB -0.928 61.977 63.200 -0.491 0.000 0.789 177 S HN 0.668 nan 8.310 nan 0.000 0.490 178 N N 2.073 120.598 118.700 -0.291 0.000 2.069 178 N HA -0.088 4.652 4.740 -0.000 0.000 0.191 178 N C 1.734 177.112 175.510 -0.219 0.000 1.031 178 N CA 1.829 54.713 53.050 -0.276 0.000 0.852 178 N CB -0.495 37.529 38.487 -0.773 0.000 1.018 178 N HN 0.573 nan 8.380 nan 0.000 0.423 179 E N 0.647 120.671 120.200 -0.293 0.000 2.072 179 E HA 0.106 4.456 4.350 -0.000 0.000 0.190 179 E C 1.895 178.569 176.600 0.124 0.000 0.982 179 E CA 0.906 57.308 56.400 0.004 0.000 0.803 179 E CB -0.310 29.361 29.700 -0.048 0.000 0.755 179 E HN 0.339 nan 8.360 nan 0.000 0.453 180 A N 0.147 122.914 122.820 -0.088 0.000 2.076 180 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 180 A C 1.524 179.159 177.584 0.085 0.000 1.160 180 A CA 0.940 52.966 52.037 -0.019 0.000 0.653 180 A CB -0.698 18.142 19.000 -0.267 0.000 0.801 180 A HN 0.214 nan 8.150 nan 0.000 0.455 181 F N -2.215 117.759 119.950 0.041 0.000 2.699 181 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 181 F C 0.966 176.505 175.800 -0.435 0.000 1.154 181 F CA 0.785 58.664 58.000 -0.201 0.000 1.457 181 F CB -0.171 38.586 39.000 -0.405 0.000 1.106 181 F HN 0.346 nan 8.300 nan 0.000 0.585 182 Y N -1.168 119.380 120.300 0.414 0.000 2.641 182 Y HA 0.309 4.859 4.550 -0.000 0.000 0.248 182 Y C 0.611 176.721 175.900 0.351 0.000 1.170 182 Y CA -1.035 57.280 58.100 0.359 0.000 1.201 182 Y CB -0.356 38.314 38.460 0.349 0.000 1.232 182 Y HN -0.282 nan 8.280 nan 0.000 0.537 183 L N 0.994 122.521 121.223 0.506 0.000 2.573 183 L HA -0.142 4.198 4.340 -0.000 0.000 0.290 183 L C 1.112 178.270 176.870 0.480 0.000 1.247 183 L CA 0.621 55.689 54.840 0.381 0.000 0.876 183 L CB 0.596 42.784 42.059 0.216 0.000 1.123 183 L HN 0.201 nan 8.230 nan 0.000 0.505 184 D N 0.312 120.854 120.400 0.238 0.000 2.183 184 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 184 D C 0.211 176.616 176.300 0.175 0.000 0.962 184 D CA 1.026 55.158 54.000 0.221 0.000 0.849 184 D CB 0.481 41.357 40.800 0.126 0.000 0.978 184 D HN 0.429 nan 8.370 nan 0.000 0.488 185 E N -0.804 119.357 120.200 -0.066 0.000 2.331 185 E HA 0.588 4.938 4.350 -0.000 0.000 0.275 185 E C -1.400 174.824 176.600 -0.626 0.000 0.895 185 E CA -0.946 55.341 56.400 -0.188 0.000 0.753 185 E CB 1.639 31.297 29.700 -0.069 0.000 1.216 185 E HN 0.032 nan 8.360 nan 0.000 0.434 186 A N 5.365 127.698 122.820 -0.812 0.000 2.546 186 A HA 0.359 4.679 4.320 -0.000 0.000 0.243 186 A C -1.972 175.287 177.584 -0.541 0.000 1.063 186 A CA -0.669 50.795 52.037 -0.955 0.000 0.757 186 A CB -0.558 18.251 19.000 -0.318 0.000 0.991 186 A HN 0.449 nan 8.150 nan 0.000 0.503 187 P HA 0.130 nan 4.420 nan 0.000 0.271 187 P C 0.109 177.247 177.300 -0.270 0.000 1.218 187 P CA -0.236 62.594 63.100 -0.450 0.000 0.780 187 P CB 1.112 32.425 31.700 -0.646 0.000 0.901 188 K N 1.816 122.118 120.400 -0.165 0.000 2.211 188 K HA 0.065 4.385 4.320 -0.000 0.000 0.201 188 K C 0.628 177.197 176.600 -0.052 0.000 1.052 188 K CA 0.513 56.750 56.287 -0.084 0.000 0.973 188 K CB 0.379 32.845 32.500 -0.058 0.000 0.766 188 K HN 0.377 nan 8.250 nan 0.000 0.466 189 R N -0.151 120.321 120.500 -0.048 0.000 2.628 189 R HA 0.527 4.867 4.340 -0.000 0.000 0.288 189 R C -1.674 174.656 176.300 0.050 0.000 0.980 189 R CA -0.577 55.553 56.100 0.049 0.000 0.891 189 R CB 2.251 32.580 30.300 0.049 0.000 1.188 189 R HN 0.097 nan 8.270 nan 0.000 0.450 190 A N 2.854 125.714 122.820 0.065 0.000 2.520 190 A HA 0.551 4.871 4.320 -0.000 0.000 0.298 190 A C -1.904 175.524 177.584 -0.260 0.000 1.051 190 A CA -0.605 51.335 52.037 -0.162 0.000 0.690 190 A CB 1.663 20.413 19.000 -0.417 0.000 1.281 190 A HN 0.475 nan 8.150 nan 0.000 0.402 191 L N 1.685 122.618 121.223 -0.484 0.000 2.313 191 L HA 0.674 5.013 4.340 -0.000 0.000 0.283 191 L C -0.893 175.857 176.870 -0.200 0.000 1.013 191 L CA -0.288 54.213 54.840 -0.564 0.000 0.816 191 L CB 1.141 42.664 42.059 -0.893 0.000 1.236 191 L HN 0.684 nan 8.230 nan 0.000 0.419 192 C N 4.979 124.233 119.300 -0.076 0.000 2.239 192 C HA 0.494 4.954 4.460 -0.000 0.000 0.323 192 C C 0.031 175.007 174.990 -0.023 0.000 1.205 192 C CA -0.999 58.017 59.018 -0.003 0.000 1.584 192 C CB 0.557 28.334 27.740 0.061 0.000 2.201 192 C HN 0.519 nan 8.230 nan 0.000 0.475 193 V N 4.551 124.442 119.914 -0.037 0.000 2.339 193 V HA 0.773 4.893 4.120 -0.000 0.000 0.261 193 V C 0.713 176.814 176.094 0.011 0.000 1.058 193 V CA 0.559 62.861 62.300 0.003 0.000 0.897 193 V CB 0.179 31.997 31.823 -0.008 0.000 1.052 193 V HN 1.169 nan 8.190 nan 0.000 0.480 194 G N 3.118 111.952 108.800 0.056 0.000 2.368 194 G HA2 0.418 4.378 3.960 -0.000 0.000 0.303 194 G HA3 0.418 4.378 3.960 -0.000 0.000 0.303 194 G C 0.185 175.016 174.900 -0.115 0.000 1.590 194 G CA -0.136 44.987 45.100 0.038 0.000 0.938 194 G HN 0.739 nan 8.290 nan 0.000 0.675 195 G N -0.629 107.941 108.800 -0.383 0.000 2.921 195 G HA2 0.535 4.495 3.960 -0.000 0.000 0.213 195 G HA3 0.535 4.495 3.960 -0.000 0.000 0.213 195 G C 1.016 175.645 174.900 -0.452 0.000 1.143 195 G CA 1.176 45.721 45.100 -0.925 0.000 0.764 195 G HN 1.243 nan 8.290 nan 0.000 0.542 196 G N -0.167 108.497 108.800 -0.227 0.000 2.611 196 G HA2 0.271 4.231 3.960 -0.000 0.000 0.273 196 G HA3 0.271 4.231 3.960 -0.000 0.000 0.273 196 G C 0.871 175.740 174.900 -0.051 0.000 1.305 196 G CA 0.139 45.200 45.100 -0.066 0.000 1.010 196 G HN 0.324 nan 8.290 nan 0.000 0.509 197 Y N -1.326 118.933 120.300 -0.068 0.000 2.293 197 Y HA 0.057 4.607 4.550 -0.000 0.000 0.291 197 Y C 2.303 178.193 175.900 -0.017 0.000 1.137 197 Y CA 0.949 59.004 58.100 -0.076 0.000 1.202 197 Y CB -0.474 37.966 38.460 -0.033 0.000 0.990 197 Y HN 0.231 nan 8.280 nan 0.000 0.537 198 I N 0.322 120.382 120.570 -0.851 0.000 2.394 198 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 198 I C 2.776 178.814 176.117 -0.131 0.000 1.136 198 I CA 1.694 62.664 61.300 -0.550 0.000 1.425 198 I CB -0.414 37.267 38.000 -0.531 0.000 1.079 198 I HN 0.471 nan 8.210 nan 0.000 0.425 199 S N 1.116 116.724 115.700 -0.154 0.000 2.377 199 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 199 S C 2.077 176.643 174.600 -0.056 0.000 1.030 199 S CA 0.757 58.909 58.200 -0.080 0.000 0.970 199 S CB -0.068 63.070 63.200 -0.103 0.000 0.830 199 S HN 0.233 nan 8.310 nan 0.000 0.473 200 I N 2.024 122.540 120.570 -0.090 0.000 2.361 200 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 200 I C 2.436 178.501 176.117 -0.087 0.000 1.133 200 I CA 1.289 62.538 61.300 -0.085 0.000 1.413 200 I CB -1.577 36.359 38.000 -0.107 0.000 1.073 200 I HN 0.484 nan 8.210 nan 0.000 0.424 201 E N 0.139 120.277 120.200 -0.103 0.000 2.072 201 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 201 E C 2.217 178.598 176.600 -0.364 0.000 0.982 201 E CA 1.012 57.303 56.400 -0.182 0.000 0.803 201 E CB -0.128 29.476 29.700 -0.160 0.000 0.755 201 E HN 0.308 nan 8.360 nan 0.000 0.453 202 F N 0.824 120.592 119.950 -0.304 0.000 2.186 202 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 202 F C 2.350 177.833 175.800 -0.528 0.000 1.090 202 F CA 1.009 58.676 58.000 -0.554 0.000 1.307 202 F CB -0.366 38.220 39.000 -0.689 0.000 1.019 202 F HN 0.006 nan 8.300 nan 0.000 0.489 203 A N 0.100 122.868 122.820 -0.086 0.000 1.940 203 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 203 A C 2.538 180.136 177.584 0.024 0.000 1.176 203 A CA 1.830 53.890 52.037 0.038 0.000 0.631 203 A CB -1.569 17.449 19.000 0.031 0.000 0.814 203 A HN 0.409 nan 8.150 nan 0.000 0.446 204 G N -0.249 108.521 108.800 -0.050 0.000 2.408 204 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 204 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 204 G C 1.517 176.427 174.900 0.017 0.000 1.150 204 G CA 1.017 46.106 45.100 -0.020 0.000 0.776 204 G HN 0.472 nan 8.290 nan 0.000 0.542 205 I N -0.054 120.470 120.570 -0.077 0.000 2.163 205 I HA -0.072 4.098 4.170 -0.000 0.000 0.240 205 I C 2.412 178.718 176.117 0.315 0.000 1.081 205 I CA 0.734 62.056 61.300 0.037 0.000 1.353 205 I CB -0.227 37.634 38.000 -0.231 0.000 1.054 205 I HN 0.019 nan 8.210 nan 0.000 0.407 206 F N 0.846 120.925 119.950 0.215 0.000 2.126 206 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 206 F C 2.400 178.290 175.800 0.149 0.000 1.096 206 F CA 1.307 59.410 58.000 0.171 0.000 1.255 206 F CB -1.500 37.547 39.000 0.078 0.000 0.997 206 F HN 0.240 nan 8.300 nan 0.000 0.479 207 N N 0.384 119.269 118.700 0.309 0.000 2.289 207 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 207 N C 1.803 177.407 175.510 0.156 0.000 1.016 207 N CA 1.077 54.238 53.050 0.185 0.000 0.872 207 N CB 0.025 38.582 38.487 0.117 0.000 0.973 207 N HN 0.273 nan 8.380 nan 0.000 0.433 208 A N -0.554 122.383 122.820 0.196 0.000 1.935 208 A HA 0.000 4.320 4.320 -0.000 0.000 0.214 208 A C 1.147 178.736 177.584 0.009 0.000 1.178 208 A CA 0.600 52.692 52.037 0.091 0.000 0.640 208 A CB -0.393 18.658 19.000 0.084 0.000 0.825 208 A HN 0.398 nan 8.150 nan 0.000 0.447 209 Y N 0.869 121.293 120.300 0.207 0.000 2.457 209 Y HA 0.133 4.683 4.550 -0.000 0.000 0.263 209 Y C 1.002 176.998 175.900 0.160 0.000 1.164 209 Y CA -0.017 58.223 58.100 0.234 0.000 1.274 209 Y CB 0.174 38.892 38.460 0.430 0.000 1.097 209 Y HN 0.303 nan 8.280 nan 0.000 0.523 210 K N 1.208 121.746 120.400 0.231 0.000 2.469 210 K HA 0.334 4.654 4.320 -0.000 0.000 0.274 210 K C 0.268 176.914 176.600 0.077 0.000 0.983 210 K CA 0.014 56.366 56.287 0.109 0.000 0.974 210 K CB 0.733 33.280 32.500 0.079 0.000 0.913 210 K HN 0.047 nan 8.250 nan 0.000 0.493 211 A N 3.253 126.097 122.820 0.040 0.000 2.466 211 A HA 0.103 4.423 4.320 -0.000 0.000 0.238 211 A C 0.072 177.671 177.584 0.024 0.000 1.074 211 A CA -0.449 51.607 52.037 0.032 0.000 0.774 211 A CB 0.232 19.238 19.000 0.011 0.000 1.015 211 A HN 0.738 nan 8.150 nan 0.000 0.498 212 R N 0.177 120.690 120.500 0.022 0.000 2.594 212 R HA 0.369 4.709 4.340 -0.000 0.000 0.272 212 R C 1.294 177.600 176.300 0.010 0.000 1.074 212 R CA 1.097 57.207 56.100 0.017 0.000 1.105 212 R CB 0.298 30.608 30.300 0.016 0.000 1.008 212 R HN 1.726 nan 8.270 nan 0.000 0.472 213 G N 1.041 109.846 108.800 0.008 0.000 2.176 213 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.253 213 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.253 213 G C 0.584 175.485 174.900 0.002 0.000 0.979 213 G CA 0.141 45.242 45.100 0.003 0.000 0.641 213 G HN 0.883 nan 8.290 nan 0.000 0.530 214 G N -0.928 107.876 108.800 0.007 0.000 2.621 214 G HA2 0.618 4.578 3.960 -0.000 0.000 0.271 214 G HA3 0.618 4.578 3.960 -0.000 0.000 0.271 214 G C -0.202 174.710 174.900 0.020 0.000 1.236 214 G CA 0.688 45.793 45.100 0.008 0.000 0.958 214 G HN 1.125 nan 8.290 nan 0.000 0.512 215 Q N -1.724 118.095 119.800 0.032 0.000 2.378 215 Q HA 0.430 4.769 4.340 -0.000 0.000 0.262 215 Q C -1.712 174.342 176.000 0.089 0.000 0.978 215 Q CA -0.749 55.087 55.803 0.055 0.000 0.918 215 Q CB 2.173 30.942 28.738 0.052 0.000 1.415 215 Q HN 0.899 nan 8.270 nan 0.000 0.409 216 V N 3.080 123.049 119.914 0.092 0.000 2.417 216 V HA 0.709 4.829 4.120 -0.000 0.000 0.291 216 V C -1.510 174.637 176.094 0.088 0.000 1.024 216 V CA -0.152 62.211 62.300 0.105 0.000 0.861 216 V CB 1.662 33.582 31.823 0.161 0.000 0.985 216 V HN 0.892 nan 8.190 nan 0.000 0.436 217 D N 5.168 125.614 120.400 0.077 0.000 2.252 217 D HA 0.530 5.170 4.640 -0.000 0.000 0.245 217 D C -0.804 175.497 176.300 0.002 0.000 1.009 217 D CA 0.025 54.059 54.000 0.056 0.000 0.870 217 D CB 2.409 43.283 40.800 0.123 0.000 1.251 217 D HN 0.719 nan 8.370 nan 0.000 0.460 218 L N 1.143 122.368 121.223 0.003 0.000 2.372 218 L HA 0.716 5.056 4.340 -0.000 0.000 0.274 218 L C -1.294 175.581 176.870 0.008 0.000 0.988 218 L CA -0.509 54.333 54.840 0.003 0.000 0.833 218 L CB 1.199 43.260 42.059 0.004 0.000 1.236 218 L HN 0.434 nan 8.230 nan 0.000 0.410 219 A N 4.300 127.137 122.820 0.028 0.000 2.318 219 A HA 0.672 4.992 4.320 -0.000 0.000 0.324 219 A C -1.882 175.790 177.584 0.147 0.000 1.170 219 A CA -0.370 51.696 52.037 0.049 0.000 0.810 219 A CB 1.036 20.076 19.000 0.067 0.000 1.198 219 A HN 0.684 nan 8.150 nan 0.000 0.484 220 Y N 2.272 122.550 120.300 -0.038 0.000 2.457 220 Y HA 0.473 5.023 4.550 -0.000 0.000 0.343 220 Y C 0.865 176.730 175.900 -0.058 0.000 0.994 220 Y CA -1.296 56.779 58.100 -0.040 0.000 1.031 220 Y CB 1.561 39.990 38.460 -0.052 0.000 1.246 220 Y HN 0.712 nan 8.280 nan 0.000 0.449 221 R N 2.842 122.926 120.500 -0.693 0.000 2.081 221 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 221 R C 0.941 176.679 176.300 -0.936 0.000 1.131 221 R CA 1.190 56.914 56.100 -0.627 0.000 0.960 221 R CB -0.707 29.364 30.300 -0.381 0.000 0.856 221 R HN 0.961 nan 8.270 nan 0.000 0.436 222 G N -0.361 107.442 108.800 -1.661 0.000 2.590 222 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.276 222 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.276 222 G C 0.216 174.726 174.900 -0.650 0.000 1.337 222 G CA 0.232 44.789 45.100 -0.904 0.000 1.030 222 G HN 0.251 nan 8.290 nan 0.000 0.534 223 D N -1.957 118.270 120.400 -0.289 0.000 2.327 223 D HA 0.175 4.815 4.640 -0.000 0.000 0.205 223 D C 0.710 177.031 176.300 0.035 0.000 0.989 223 D CA 0.307 54.205 54.000 -0.170 0.000 0.873 223 D CB 0.119 40.901 40.800 -0.028 0.000 0.955 223 D HN 0.158 nan 8.370 nan 0.000 0.515 224 M N 0.893 120.585 119.600 0.154 0.000 2.284 224 M HA 0.278 4.758 4.480 -0.000 0.000 0.281 224 M C -1.010 175.377 176.300 0.145 0.000 1.083 224 M CA -0.818 54.564 55.300 0.138 0.000 0.965 224 M CB 1.847 34.492 32.600 0.076 0.000 1.717 224 M HN -0.016 nan 8.290 nan 0.000 0.479 225 I N 1.766 122.336 120.570 -0.001 0.000 3.205 225 I HA 0.068 4.238 4.170 -0.000 0.000 0.287 225 I C 0.085 176.078 176.117 -0.207 0.000 1.266 225 I CA -0.350 60.777 61.300 -0.289 0.000 1.378 225 I CB 0.097 37.959 38.000 -0.232 0.000 1.347 225 I HN 0.854 nan 8.210 nan 0.000 0.603 226 L N 0.611 121.670 121.223 -0.273 0.000 3.632 226 L HA -0.195 4.145 4.340 -0.000 0.000 0.510 226 L C 0.383 177.316 176.870 0.105 0.000 1.299 226 L CA 0.118 54.889 54.840 -0.115 0.000 0.829 226 L CB -1.226 40.643 42.059 -0.317 0.000 1.559 226 L HN 0.850 nan 8.230 nan 0.000 0.857 227 R N 1.473 122.028 120.500 0.091 0.000 2.522 227 R HA 0.369 4.709 4.340 -0.000 0.000 0.284 227 R C 1.274 177.696 176.300 0.203 0.000 1.032 227 R CA 1.499 57.689 56.100 0.150 0.000 1.049 227 R CB 0.617 31.009 30.300 0.153 0.000 0.956 227 R HN 0.526 nan 8.270 nan 0.000 0.422 228 G N 2.277 111.172 108.800 0.157 0.000 2.231 228 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.206 228 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.206 228 G C -0.375 174.500 174.900 -0.042 0.000 0.996 228 G CA -0.145 44.981 45.100 0.043 0.000 0.645 228 G HN 0.452 nan 8.290 nan 0.000 0.498 229 F N 1.495 121.434 119.950 -0.018 0.000 2.509 229 F HA 0.534 5.061 4.527 -0.000 0.000 0.334 229 F C 0.673 176.413 175.800 -0.099 0.000 1.060 229 F CA -1.128 56.845 58.000 -0.045 0.000 0.997 229 F CB 0.731 39.704 39.000 -0.045 0.000 1.271 229 F HN -0.000 nan 8.300 nan 0.000 0.488 230 D N 0.846 121.236 120.400 -0.017 0.000 2.570 230 D HA -0.089 4.551 4.640 -0.000 0.000 0.243 230 D C 0.900 177.183 176.300 -0.028 0.000 1.171 230 D CA 0.374 54.265 54.000 -0.182 0.000 0.879 230 D CB 0.928 41.458 40.800 -0.449 0.000 1.143 230 D HN 0.546 nan 8.370 nan 0.000 0.511 231 S N 3.796 119.496 115.700 0.000 0.000 2.389 231 S HA -0.211 4.259 4.470 -0.000 0.000 0.231 231 S C 1.551 176.165 174.600 0.024 0.000 1.052 231 S CA 0.973 59.191 58.200 0.030 0.000 1.053 231 S CB 0.019 63.249 63.200 0.050 0.000 0.886 231 S HN 0.596 nan 8.310 nan 0.000 0.456 232 E N 0.689 120.903 120.200 0.023 0.000 2.047 232 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 232 E C 2.125 178.728 176.600 0.004 0.000 0.987 232 E CA 0.655 57.070 56.400 0.026 0.000 0.799 232 E CB -0.462 29.267 29.700 0.050 0.000 0.752 232 E HN 0.323 nan 8.360 nan 0.000 0.449 233 L N 0.997 122.214 121.223 -0.011 0.000 1.989 233 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 233 L C 2.443 179.284 176.870 -0.049 0.000 1.071 233 L CA 1.627 56.447 54.840 -0.033 0.000 0.749 233 L CB -0.648 41.396 42.059 -0.025 0.000 0.890 233 L HN 0.030 nan 8.230 nan 0.000 0.431 234 R N -0.443 120.035 120.500 -0.035 0.000 2.097 234 R HA -0.255 4.085 4.340 -0.000 0.000 0.236 234 R C 2.303 178.580 176.300 -0.038 0.000 1.135 234 R CA 1.983 58.052 56.100 -0.052 0.000 0.934 234 R CB -0.532 29.760 30.300 -0.014 0.000 0.846 234 R HN 0.286 nan 8.270 nan 0.000 0.431 235 K N 0.490 120.882 120.400 -0.013 0.000 2.063 235 K HA -0.278 4.042 4.320 -0.000 0.000 0.208 235 K C 2.285 178.878 176.600 -0.011 0.000 1.048 235 K CA 1.854 58.138 56.287 -0.005 0.000 0.928 235 K CB 0.012 32.517 32.500 0.007 0.000 0.713 235 K HN -0.017 nan 8.250 nan 0.000 0.442 236 Q N 0.860 120.651 119.800 -0.016 0.000 2.123 236 Q HA -0.111 4.229 4.340 -0.000 0.000 0.199 236 Q C 1.935 177.918 176.000 -0.028 0.000 0.966 236 Q CA 1.248 57.041 55.803 -0.017 0.000 0.845 236 Q CB -0.312 28.413 28.738 -0.022 0.000 0.907 236 Q HN 0.379 nan 8.270 nan 0.000 0.439 237 L N -0.042 121.150 121.223 -0.052 0.000 2.017 237 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 237 L C 1.995 178.837 176.870 -0.047 0.000 1.073 237 L CA 2.345 57.146 54.840 -0.066 0.000 0.745 237 L CB -1.031 40.962 42.059 -0.109 0.000 0.894 237 L HN 0.233 nan 8.230 nan 0.000 0.432 238 T N -0.497 114.031 114.554 -0.043 0.000 2.665 238 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 238 T C 1.738 176.424 174.700 -0.023 0.000 1.035 238 T CA 1.622 63.702 62.100 -0.032 0.000 1.151 238 T CB -0.274 68.582 68.868 -0.021 0.000 0.862 238 T HN 0.345 nan 8.240 nan 0.000 0.438 239 E N 1.536 121.728 120.200 -0.013 0.000 2.058 239 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 239 E C 2.363 178.959 176.600 -0.006 0.000 0.997 239 E CA 1.205 57.600 56.400 -0.008 0.000 0.801 239 E CB -0.443 29.262 29.700 0.009 0.000 0.746 239 E HN 0.622 nan 8.360 nan 0.000 0.450 240 Q N -0.096 119.721 119.800 0.027 0.000 2.364 240 Q HA -0.030 4.310 4.340 -0.000 0.000 0.207 240 Q C 2.288 178.300 176.000 0.021 0.000 0.970 240 Q CA 0.516 56.372 55.803 0.089 0.000 0.888 240 Q CB 0.025 28.839 28.738 0.127 0.000 0.951 240 Q HN 0.278 nan 8.270 nan 0.000 0.469 241 L N -0.345 120.866 121.223 -0.020 0.000 2.102 241 L HA -0.090 4.250 4.340 -0.000 0.000 0.202 241 L C 2.462 179.294 176.870 -0.063 0.000 1.076 241 L CA 0.780 55.600 54.840 -0.034 0.000 0.761 241 L CB -0.261 41.777 42.059 -0.034 0.000 0.921 241 L HN 0.111 nan 8.230 nan 0.000 0.444 242 R N 0.251 120.712 120.500 -0.065 0.000 2.094 242 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 242 R C 2.335 178.550 176.300 -0.141 0.000 1.137 242 R CA 1.557 57.610 56.100 -0.079 0.000 0.943 242 R CB -0.633 29.631 30.300 -0.061 0.000 0.850 242 R HN 0.347 nan 8.270 nan 0.000 0.433 243 A N 0.903 123.598 122.820 -0.210 0.000 2.084 243 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 243 A C 1.681 178.953 177.584 -0.521 0.000 1.161 243 A CA 1.841 53.621 52.037 -0.427 0.000 0.653 243 A CB -0.427 18.173 19.000 -0.667 0.000 0.802 243 A HN 0.304 nan 8.150 nan 0.000 0.457 244 N N -2.179 116.333 118.700 -0.314 0.000 2.230 244 N HA 0.283 5.023 4.740 -0.000 0.000 0.202 244 N C 0.836 176.288 175.510 -0.097 0.000 1.119 244 N CA 1.123 54.058 53.050 -0.192 0.000 0.851 244 N CB 0.519 38.971 38.487 -0.060 0.000 0.990 244 N HN 0.502 nan 8.380 nan 0.000 0.497 245 G N -0.132 108.612 108.800 -0.093 0.000 2.184 245 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.206 245 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.206 245 G C -0.044 174.846 174.900 -0.017 0.000 0.995 245 G CA -0.198 44.874 45.100 -0.047 0.000 0.651 245 G HN 0.224 nan 8.290 nan 0.000 0.511 246 I N 1.277 121.837 120.570 -0.017 0.000 2.472 246 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 246 I C 0.248 176.362 176.117 -0.005 0.000 1.016 246 I CA -0.800 60.503 61.300 0.005 0.000 1.348 246 I CB 1.263 39.267 38.000 0.007 0.000 1.417 246 I HN 0.088 nan 8.210 nan 0.000 0.521 247 N N 5.821 124.526 118.700 0.009 0.000 2.589 247 N HA 0.197 4.937 4.740 -0.000 0.000 0.232 247 N C -1.060 174.446 175.510 -0.006 0.000 1.015 247 N CA -0.372 52.678 53.050 -0.001 0.000 0.931 247 N CB 0.815 39.308 38.487 0.010 0.000 1.150 247 N HN 0.254 nan 8.380 nan 0.000 0.512 248 V N 5.211 125.118 119.914 -0.012 0.000 2.381 248 V HA 0.195 4.314 4.120 -0.000 0.000 0.257 248 V C 0.727 176.815 176.094 -0.011 0.000 1.057 248 V CA -0.228 62.068 62.300 -0.007 0.000 1.013 248 V CB -0.489 31.330 31.823 -0.006 0.000 1.069 248 V HN 0.425 nan 8.190 nan 0.000 0.484 249 R N 3.160 123.646 120.500 -0.025 0.000 2.287 249 R HA 0.349 4.689 4.340 -0.000 0.000 0.327 249 R C 0.183 176.469 176.300 -0.022 0.000 1.109 249 R CA -0.237 55.827 56.100 -0.061 0.000 1.013 249 R CB 0.806 31.009 30.300 -0.161 0.000 1.126 249 R HN 0.551 nan 8.270 nan 0.000 0.503 250 T N 1.789 116.349 114.554 0.010 0.000 2.909 250 T HA 0.083 4.433 4.350 -0.000 0.000 0.289 250 T C 0.483 175.207 174.700 0.041 0.000 1.005 250 T CA -0.006 62.108 62.100 0.022 0.000 1.084 250 T CB 0.378 69.276 68.868 0.050 0.000 0.975 250 T HN 0.706 nan 8.240 nan 0.000 0.509 251 H N -0.223 118.790 119.070 -0.095 0.000 2.992 251 H HA -0.114 4.442 4.556 -0.000 0.000 0.266 251 H C -0.043 175.231 175.328 -0.089 0.000 1.200 251 H CA 0.730 56.714 56.048 -0.106 0.000 1.135 251 H CB -0.693 29.026 29.762 -0.072 0.000 1.282 251 H HN 0.467 nan 8.280 nan 0.000 0.351 252 E N 0.715 120.902 120.200 -0.020 0.000 2.171 252 E HA 0.515 4.864 4.350 -0.000 0.000 0.271 252 E C -0.506 176.138 176.600 0.073 0.000 0.916 252 E CA -0.663 55.718 56.400 -0.032 0.000 0.774 252 E CB 1.158 30.719 29.700 -0.232 0.000 1.128 252 E HN 0.300 nan 8.360 nan 0.000 0.403 253 N N 3.061 121.886 118.700 0.209 0.000 2.287 253 N HA 0.486 5.225 4.740 -0.000 0.000 0.289 253 N C -2.935 172.753 175.510 0.297 0.000 1.066 253 N CA -2.138 51.037 53.050 0.208 0.000 0.841 253 N CB 2.043 40.583 38.487 0.088 0.000 1.599 253 N HN 0.148 nan 8.380 nan 0.000 0.476 254 P HA 0.216 nan 4.420 nan 0.000 0.276 254 P C -0.461 176.817 177.300 -0.036 0.000 1.243 254 P CA -0.146 62.915 63.100 -0.065 0.000 0.768 254 P CB 1.127 32.742 31.700 -0.140 0.000 0.856 255 A N 4.680 127.464 122.820 -0.060 0.000 1.878 255 A HA 0.052 4.372 4.320 -0.000 0.000 0.213 255 A C 0.727 178.290 177.584 -0.034 0.000 1.192 255 A CA 1.392 53.417 52.037 -0.019 0.000 0.619 255 A CB -0.339 18.662 19.000 0.002 0.000 0.837 255 A HN 0.594 nan 8.150 nan 0.000 0.446 256 K N -2.065 118.294 120.400 -0.068 0.000 2.575 256 K HA 0.609 4.929 4.320 -0.000 0.000 0.279 256 K C -2.063 174.499 176.600 -0.063 0.000 0.969 256 K CA -0.748 55.512 56.287 -0.044 0.000 0.868 256 K CB 1.787 34.278 32.500 -0.015 0.000 1.457 256 K HN -0.022 nan 8.250 nan 0.000 0.426 257 V N 1.518 121.413 119.914 -0.032 0.000 2.623 257 V HA 0.528 4.648 4.120 -0.000 0.000 0.304 257 V C -0.587 175.512 176.094 0.008 0.000 1.054 257 V CA -0.372 61.914 62.300 -0.023 0.000 0.882 257 V CB 1.661 33.462 31.823 -0.036 0.000 1.002 257 V HN 1.059 nan 8.190 nan 0.000 0.424 258 T N 1.069 115.645 114.554 0.037 0.000 2.888 258 T HA 0.709 5.059 4.350 -0.000 0.000 0.288 258 T C -0.726 173.999 174.700 0.042 0.000 1.063 258 T CA -0.966 61.153 62.100 0.033 0.000 1.010 258 T CB 2.357 71.240 68.868 0.025 0.000 1.214 258 T HN 0.532 nan 8.240 nan 0.000 0.533 259 K N 0.818 121.232 120.400 0.023 0.000 2.159 259 K HA 0.436 4.756 4.320 -0.000 0.000 0.266 259 K C -0.302 176.308 176.600 0.016 0.000 0.975 259 K CA -0.723 55.577 56.287 0.021 0.000 0.865 259 K CB 0.703 33.209 32.500 0.010 0.000 1.087 259 K HN 0.538 nan 8.250 nan 0.000 0.446 260 N N 1.411 120.125 118.700 0.022 0.000 2.434 260 N HA 0.137 4.877 4.740 -0.000 0.000 0.266 260 N C 0.725 176.234 175.510 -0.002 0.000 1.223 260 N CA 0.162 53.219 53.050 0.010 0.000 0.972 260 N CB 1.247 39.749 38.487 0.025 0.000 1.207 260 N HN 0.720 nan 8.380 nan 0.000 0.525 261 A N 0.898 123.712 122.820 -0.010 0.000 1.849 261 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 261 A C 1.117 178.697 177.584 -0.007 0.000 1.202 261 A CA 2.281 54.312 52.037 -0.011 0.000 0.629 261 A CB -0.917 18.074 19.000 -0.014 0.000 0.834 261 A HN 0.817 nan 8.150 nan 0.000 0.447 262 D N -1.540 118.855 120.400 -0.008 0.000 2.400 262 D HA 0.262 4.902 4.640 -0.000 0.000 0.242 262 D C 1.130 177.425 176.300 -0.009 0.000 1.077 262 D CA 1.148 55.143 54.000 -0.009 0.000 0.943 262 D CB -0.853 39.941 40.800 -0.011 0.000 0.882 262 D HN 0.973 nan 8.370 nan 0.000 0.529 263 G N -0.378 108.418 108.800 -0.006 0.000 2.225 263 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 263 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 263 G C 0.574 175.470 174.900 -0.006 0.000 0.988 263 G CA 0.519 45.615 45.100 -0.006 0.000 0.625 263 G HN 0.844 nan 8.290 nan 0.000 0.527 264 T N -0.998 113.553 114.554 -0.005 0.000 2.868 264 T HA 0.672 5.022 4.350 -0.000 0.000 0.292 264 T C 0.293 175.004 174.700 0.018 0.000 1.028 264 T CA -0.190 61.908 62.100 -0.002 0.000 1.059 264 T CB 1.676 70.537 68.868 -0.011 0.000 0.991 264 T HN 0.378 nan 8.240 nan 0.000 0.531 265 R N 0.870 121.386 120.500 0.027 0.000 2.312 265 R HA 0.463 4.803 4.340 -0.000 0.000 0.311 265 R C -0.520 175.811 176.300 0.053 0.000 1.004 265 R CA -0.568 55.558 56.100 0.044 0.000 0.902 265 R CB 0.511 30.832 30.300 0.035 0.000 1.073 265 R HN 0.838 nan 8.270 nan 0.000 0.457 266 H N 1.424 120.482 119.070 -0.021 0.000 2.458 266 H HA 0.582 5.138 4.556 -0.000 0.000 0.330 266 H C -0.959 174.337 175.328 -0.053 0.000 1.111 266 H CA -0.689 55.333 56.048 -0.044 0.000 1.245 266 H CB 1.134 30.867 29.762 -0.049 0.000 1.456 266 H HN 0.351 nan 8.280 nan 0.000 0.488 267 V N 4.050 123.697 119.914 -0.444 0.000 2.709 267 V HA 0.639 4.759 4.120 -0.000 0.000 0.308 267 V C -1.498 174.339 176.094 -0.428 0.000 1.062 267 V CA -0.725 61.365 62.300 -0.351 0.000 0.901 267 V CB 1.749 33.326 31.823 -0.409 0.000 1.003 267 V HN 0.582 nan 8.190 nan 0.000 0.425 268 V N 6.109 125.848 119.914 -0.291 0.000 2.384 268 V HA 0.542 4.662 4.120 -0.000 0.000 0.287 268 V C -0.283 175.661 176.094 -0.248 0.000 1.020 268 V CA -0.284 61.928 62.300 -0.146 0.000 0.850 268 V CB 1.047 32.867 31.823 -0.006 0.000 0.987 268 V HN 0.802 nan 8.190 nan 0.000 0.436 269 F N 1.714 121.684 119.950 0.033 0.000 2.371 269 F HA 0.332 4.859 4.527 -0.000 0.000 0.329 269 F C 1.669 177.484 175.800 0.026 0.000 1.107 269 F CA -0.400 57.618 58.000 0.030 0.000 1.137 269 F CB 0.823 39.841 39.000 0.031 0.000 1.214 269 F HN 0.554 nan 8.300 nan 0.000 0.536 270 E N 0.270 120.595 120.200 0.207 0.000 2.284 270 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 270 E C 1.872 178.536 176.600 0.107 0.000 1.008 270 E CA 1.578 58.050 56.400 0.120 0.000 0.829 270 E CB -0.062 29.697 29.700 0.098 0.000 0.744 270 E HN 0.623 nan 8.360 nan 0.000 0.491 271 S N -1.539 114.242 115.700 0.134 0.000 2.562 271 S HA 0.136 4.606 4.470 -0.000 0.000 0.221 271 S C 1.598 176.249 174.600 0.086 0.000 0.975 271 S CA 0.448 58.699 58.200 0.086 0.000 0.918 271 S CB 0.654 63.891 63.200 0.062 0.000 0.772 271 S HN 0.393 nan 8.310 nan 0.000 0.531 272 G N 0.835 109.707 108.800 0.121 0.000 2.254 272 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.225 272 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.225 272 G C 0.400 175.381 174.900 0.135 0.000 1.003 272 G CA -0.099 45.062 45.100 0.103 0.000 0.622 272 G HN 1.256 nan 8.290 nan 0.000 0.507 273 A N 0.087 123.017 122.820 0.183 0.000 2.475 273 A HA 0.588 4.907 4.320 -0.000 0.000 0.239 273 A C 0.371 178.144 177.584 0.315 0.000 1.087 273 A CA 1.246 53.414 52.037 0.220 0.000 0.779 273 A CB 0.185 19.298 19.000 0.189 0.000 1.036 273 A HN 0.679 nan 8.150 nan 0.000 0.506 274 E N -1.237 119.105 120.200 0.237 0.000 2.372 274 E HA 0.631 4.981 4.350 -0.000 0.000 0.279 274 E C -0.848 175.742 176.600 -0.017 0.000 0.946 274 E CA -0.410 56.042 56.400 0.085 0.000 0.769 274 E CB 2.336 32.107 29.700 0.118 0.000 1.230 274 E HN 1.116 nan 8.360 nan 0.000 0.442 275 A N 1.949 124.605 122.820 -0.273 0.000 2.586 275 A HA 0.562 4.882 4.320 -0.000 0.000 0.290 275 A C -1.846 175.328 177.584 -0.683 0.000 1.086 275 A CA -0.856 50.949 52.037 -0.387 0.000 0.665 275 A CB 1.584 20.411 19.000 -0.288 0.000 1.279 275 A HN 0.530 nan 8.150 nan 0.000 0.423 276 D N -0.299 119.692 120.400 -0.681 0.000 2.342 276 D HA 0.678 5.318 4.640 -0.000 0.000 0.243 276 D C -1.622 174.268 176.300 -0.683 0.000 1.019 276 D CA 0.401 54.104 54.000 -0.496 0.000 0.864 276 D CB 1.744 42.429 40.800 -0.192 0.000 1.315 276 D HN 0.395 nan 8.370 nan 0.000 0.468 277 Y N -0.196 120.056 120.300 -0.081 0.000 2.588 277 Y HA 0.147 4.697 4.550 -0.000 0.000 0.343 277 Y C 0.940 176.780 175.900 -0.099 0.000 1.065 277 Y CA -0.865 57.183 58.100 -0.087 0.000 1.038 277 Y CB 1.561 39.968 38.460 -0.089 0.000 1.297 277 Y HN 0.160 nan 8.280 nan 0.000 0.467 278 D N 0.275 120.694 120.400 0.031 0.000 2.249 278 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 278 D C -0.250 176.000 176.300 -0.084 0.000 0.962 278 D CA 1.295 55.264 54.000 -0.051 0.000 0.860 278 D CB 0.775 41.509 40.800 -0.110 0.000 0.955 278 D HN 0.090 nan 8.370 nan 0.000 0.505 279 V N 0.994 120.837 119.914 -0.118 0.000 2.841 279 V HA 0.285 4.405 4.120 -0.000 0.000 0.310 279 V C -0.559 175.429 176.094 -0.177 0.000 1.090 279 V CA -0.809 61.381 62.300 -0.183 0.000 0.930 279 V CB 3.081 34.690 31.823 -0.358 0.000 1.014 279 V HN -0.236 nan 8.190 nan 0.000 0.425 280 V N 4.792 124.617 119.914 -0.148 0.000 2.409 280 V HA 0.491 4.611 4.120 -0.000 0.000 0.290 280 V C -0.202 175.808 176.094 -0.139 0.000 1.017 280 V CA -0.355 61.847 62.300 -0.165 0.000 0.841 280 V CB 1.566 33.313 31.823 -0.128 0.000 1.003 280 V HN 0.862 nan 8.190 nan 0.000 0.426 281 M N 5.818 125.342 119.600 -0.127 0.000 2.129 281 M HA 0.562 5.042 4.480 -0.000 0.000 0.348 281 M C -1.279 174.928 176.300 -0.155 0.000 1.116 281 M CA -0.591 54.627 55.300 -0.137 0.000 1.022 281 M CB 1.252 33.809 32.600 -0.071 0.000 1.599 281 M HN 0.545 nan 8.290 nan 0.000 0.449 282 L N 4.686 125.788 121.223 -0.202 0.000 2.264 282 L HA 0.563 4.903 4.340 -0.000 0.000 0.289 282 L C 0.146 176.882 176.870 -0.223 0.000 1.044 282 L CA -0.450 54.276 54.840 -0.190 0.000 0.807 282 L CB 1.286 43.205 42.059 -0.232 0.000 1.192 282 L HN 0.845 nan 8.230 nan 0.000 0.425 283 A N 4.595 127.316 122.820 -0.165 0.000 3.410 283 A HA 0.365 4.685 4.320 -0.000 0.000 0.276 283 A C 0.615 178.134 177.584 -0.108 0.000 0.995 283 A CA -0.415 51.516 52.037 -0.177 0.000 0.934 283 A CB -0.047 18.836 19.000 -0.195 0.000 1.191 283 A HN 0.850 nan 8.150 nan 0.000 0.511 284 I N -3.290 117.232 120.570 -0.080 0.000 3.645 284 I HA 0.591 4.761 4.170 -0.000 0.000 0.300 284 I C 0.703 176.824 176.117 0.006 0.000 1.260 284 I CA 0.358 61.652 61.300 -0.011 0.000 1.365 284 I CB 0.623 38.628 38.000 0.008 0.000 1.077 284 I HN 0.414 nan 8.210 nan 0.000 0.439 285 G N 1.099 109.887 108.800 -0.021 0.000 2.325 285 G HA2 0.470 4.430 3.960 -0.000 0.000 0.297 285 G HA3 0.470 4.430 3.960 -0.000 0.000 0.297 285 G C -1.665 173.242 174.900 0.012 0.000 1.448 285 G CA -1.033 44.078 45.100 0.018 0.000 0.838 285 G HN 0.127 nan 8.290 nan 0.000 0.579 286 R N -0.752 119.779 120.500 0.052 0.000 2.628 286 R HA 0.695 5.035 4.340 -0.000 0.000 0.288 286 R C -0.603 175.762 176.300 0.108 0.000 0.980 286 R CA -0.913 55.232 56.100 0.075 0.000 0.891 286 R CB 2.623 32.972 30.300 0.083 0.000 1.188 286 R HN 0.759 nan 8.270 nan 0.000 0.450 287 V N 0.114 120.118 119.914 0.149 0.000 2.628 287 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 287 V C -2.564 173.622 176.094 0.153 0.000 1.045 287 V CA -3.208 59.177 62.300 0.142 0.000 0.905 287 V CB 1.755 33.665 31.823 0.144 0.000 0.997 287 V HN 0.578 nan 8.190 nan 0.000 0.436 288 P HA 0.123 nan 4.420 nan 0.000 0.261 288 P C -0.404 176.955 177.300 0.099 0.000 1.183 288 P CA 0.194 63.350 63.100 0.094 0.000 0.761 288 P CB 0.223 31.959 31.700 0.060 0.000 0.785 289 R N 2.972 123.535 120.500 0.105 0.000 3.657 289 R HA 0.161 4.501 4.340 -0.000 0.000 0.220 289 R C 0.360 176.679 176.300 0.031 0.000 1.548 289 R CA 0.075 56.221 56.100 0.076 0.000 1.465 289 R CB -0.487 29.875 30.300 0.104 0.000 1.330 289 R HN 0.474 nan 8.270 nan 0.000 0.707 290 S N 0.384 116.100 115.700 0.027 0.000 2.559 290 S HA 0.009 4.479 4.470 -0.000 0.000 0.226 290 S C 1.027 175.631 174.600 0.006 0.000 1.000 290 S CA -0.495 57.713 58.200 0.013 0.000 0.948 290 S CB 0.567 63.776 63.200 0.014 0.000 0.870 290 S HN 0.401 nan 8.310 nan 0.000 0.497 291 Q N 2.803 122.605 119.800 0.004 0.000 2.096 291 Q HA -0.042 4.298 4.340 -0.000 0.000 0.204 291 Q C 1.555 177.551 176.000 -0.007 0.000 0.982 291 Q CA 1.983 57.785 55.803 -0.002 0.000 0.850 291 Q CB -0.938 27.797 28.738 -0.003 0.000 0.901 291 Q HN 0.794 nan 8.270 nan 0.000 0.422 292 T N -2.504 112.047 114.554 -0.006 0.000 3.268 292 T HA 0.395 4.745 4.350 -0.000 0.000 0.244 292 T C 0.706 175.414 174.700 0.014 0.000 0.915 292 T CA -0.133 61.966 62.100 -0.003 0.000 0.935 292 T CB -0.266 68.600 68.868 -0.004 0.000 1.110 292 T HN 0.091 nan 8.240 nan 0.000 0.573 293 L N -0.390 120.837 121.223 0.005 0.000 2.731 293 L HA 0.329 4.669 4.340 -0.000 0.000 0.240 293 L C 0.776 177.644 176.870 -0.003 0.000 1.120 293 L CA -0.367 54.475 54.840 0.004 0.000 0.913 293 L CB -0.218 41.841 42.059 -0.000 0.000 1.213 293 L HN 0.365 nan 8.230 nan 0.000 0.515 294 Q N 0.670 120.466 119.800 -0.006 0.000 2.452 294 Q HA -0.208 4.132 4.340 -0.000 0.000 0.318 294 Q C 0.894 176.888 176.000 -0.009 0.000 1.386 294 Q CA 0.080 55.878 55.803 -0.008 0.000 0.872 294 Q CB -1.417 27.316 28.738 -0.008 0.000 1.151 294 Q HN 0.517 nan 8.270 nan 0.000 0.417 295 L N -0.521 120.697 121.223 -0.010 0.000 2.456 295 L HA -0.155 4.185 4.340 -0.000 0.000 0.224 295 L C 1.909 178.771 176.870 -0.014 0.000 1.148 295 L CA 1.054 55.886 54.840 -0.013 0.000 0.825 295 L CB -0.188 41.864 42.059 -0.013 0.000 0.937 295 L HN 0.398 nan 8.230 nan 0.000 0.450 296 E N 0.019 120.213 120.200 -0.011 0.000 2.072 296 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 296 E C 2.045 178.639 176.600 -0.011 0.000 0.982 296 E CA 0.682 57.076 56.400 -0.010 0.000 0.803 296 E CB 0.070 29.765 29.700 -0.008 0.000 0.755 296 E HN 0.295 nan 8.360 nan 0.000 0.453 297 K N 0.557 120.951 120.400 -0.010 0.000 2.103 297 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 297 K C 1.858 178.451 176.600 -0.011 0.000 1.048 297 K CA 1.306 57.588 56.287 -0.008 0.000 0.930 297 K CB -0.113 32.383 32.500 -0.006 0.000 0.716 297 K HN 0.104 nan 8.250 nan 0.000 0.444 298 A N -0.120 122.689 122.820 -0.018 0.000 2.308 298 A HA 0.336 4.656 4.320 -0.000 0.000 0.217 298 A C 1.209 178.775 177.584 -0.031 0.000 1.216 298 A CA 0.742 52.762 52.037 -0.028 0.000 0.864 298 A CB 0.057 19.033 19.000 -0.039 0.000 0.902 298 A HN 0.360 nan 8.150 nan 0.000 0.499 299 G N -0.864 107.922 108.800 -0.023 0.000 2.143 299 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 299 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 299 G C 0.185 175.069 174.900 -0.026 0.000 0.991 299 G CA 0.168 45.255 45.100 -0.022 0.000 0.689 299 G HN 0.759 nan 8.290 nan 0.000 0.522 300 V N 1.221 121.118 119.914 -0.028 0.000 2.521 300 V HA 0.212 4.331 4.120 -0.000 0.000 0.286 300 V C 1.000 177.080 176.094 -0.023 0.000 1.034 300 V CA -0.185 62.097 62.300 -0.031 0.000 1.045 300 V CB 1.390 33.194 31.823 -0.031 0.000 0.974 300 V HN 0.366 nan 8.190 nan 0.000 0.480 301 E N 3.124 123.309 120.200 -0.025 0.000 2.338 301 E HA 0.368 4.718 4.350 -0.000 0.000 0.272 301 E C -0.891 175.699 176.600 -0.016 0.000 1.029 301 E CA -0.036 56.353 56.400 -0.019 0.000 0.872 301 E CB 1.827 31.515 29.700 -0.020 0.000 1.015 301 E HN 0.430 nan 8.360 nan 0.000 0.417 302 V N 2.150 122.058 119.914 -0.010 0.000 2.760 302 V HA 0.400 4.520 4.120 -0.000 0.000 0.309 302 V C 0.181 176.274 176.094 -0.002 0.000 1.077 302 V CA -0.773 61.524 62.300 -0.006 0.000 0.910 302 V CB 1.838 33.659 31.823 -0.002 0.000 1.008 302 V HN 0.836 nan 8.190 nan 0.000 0.424 303 A N 4.137 126.957 122.820 -0.000 0.000 2.292 303 A HA 0.412 4.732 4.320 -0.000 0.000 0.265 303 A C 1.374 178.964 177.584 0.009 0.000 1.133 303 A CA -0.056 51.983 52.037 0.003 0.000 0.807 303 A CB 0.171 19.173 19.000 0.002 0.000 1.102 303 A HN 0.872 nan 8.150 nan 0.000 0.502 304 K N 0.790 121.196 120.400 0.011 0.000 2.001 304 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 304 K C 1.096 177.709 176.600 0.021 0.000 1.050 304 K CA 1.857 58.153 56.287 0.015 0.000 0.934 304 K CB -0.420 32.089 32.500 0.016 0.000 0.718 304 K HN 0.872 nan 8.250 nan 0.000 0.443 305 N N 0.435 119.150 118.700 0.024 0.000 2.471 305 N HA -0.045 4.695 4.740 -0.000 0.000 0.205 305 N C 0.862 176.394 175.510 0.037 0.000 1.251 305 N CA 1.117 54.187 53.050 0.034 0.000 0.843 305 N CB -0.021 38.488 38.487 0.037 0.000 1.044 305 N HN 0.405 nan 8.380 nan 0.000 0.461 306 G N -1.454 107.363 108.800 0.029 0.000 2.205 306 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.261 306 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.261 306 G C 0.281 175.196 174.900 0.025 0.000 0.980 306 G CA 0.289 45.406 45.100 0.029 0.000 0.632 306 G HN 0.904 nan 8.290 nan 0.000 0.533 307 A N 0.511 123.344 122.820 0.022 0.000 2.492 307 A HA 0.598 4.918 4.320 -0.000 0.000 0.254 307 A C 0.732 178.318 177.584 0.003 0.000 1.091 307 A CA -0.002 52.044 52.037 0.014 0.000 0.768 307 A CB 0.091 19.096 19.000 0.008 0.000 1.028 307 A HN 0.771 nan 8.150 nan 0.000 0.498 308 I N 3.119 123.688 120.570 -0.001 0.000 2.517 308 I HA 0.008 4.177 4.170 -0.000 0.000 0.285 308 I C 0.540 176.646 176.117 -0.018 0.000 1.106 308 I CA 0.238 61.532 61.300 -0.011 0.000 1.402 308 I CB 0.525 38.517 38.000 -0.014 0.000 1.399 308 I HN 0.617 nan 8.210 nan 0.000 0.535 309 K N 6.531 126.919 120.400 -0.020 0.000 2.379 309 K HA 0.348 4.668 4.320 -0.000 0.000 0.284 309 K C -0.525 176.057 176.600 -0.031 0.000 1.044 309 K CA -0.192 56.081 56.287 -0.023 0.000 0.974 309 K CB 0.886 33.374 32.500 -0.019 0.000 0.962 309 K HN 0.505 nan 8.250 nan 0.000 0.474 310 V N -0.690 119.206 119.914 -0.029 0.000 3.049 310 V HA 0.357 4.477 4.120 -0.000 0.000 0.309 310 V C -0.562 175.527 176.094 -0.009 0.000 1.148 310 V CA -1.282 61.001 62.300 -0.027 0.000 0.990 310 V CB 1.897 33.712 31.823 -0.015 0.000 1.039 310 V HN 0.812 nan 8.190 nan 0.000 0.430 311 D N 2.695 123.103 120.400 0.013 0.000 2.447 311 D HA 0.478 5.118 4.640 -0.000 0.000 0.265 311 D C 1.348 177.675 176.300 0.044 0.000 1.250 311 D CA 0.052 54.079 54.000 0.044 0.000 1.046 311 D CB 1.325 42.181 40.800 0.094 0.000 1.095 311 D HN 0.915 nan 8.370 nan 0.000 0.555 312 A N -0.828 121.991 122.820 -0.002 0.000 2.084 312 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 312 A C 1.516 178.939 177.584 -0.268 0.000 1.161 312 A CA 1.201 53.144 52.037 -0.156 0.000 0.653 312 A CB -1.089 17.732 19.000 -0.297 0.000 0.802 312 A HN 0.590 nan 8.150 nan 0.000 0.457 313 Y N -0.998 119.369 120.300 0.112 0.000 2.468 313 Y HA 0.250 4.800 4.550 -0.000 0.000 0.268 313 Y C 1.326 177.383 175.900 0.262 0.000 1.177 313 Y CA 0.326 58.527 58.100 0.170 0.000 1.265 313 Y CB 0.134 38.701 38.460 0.179 0.000 1.103 313 Y HN 0.285 nan 8.280 nan 0.000 0.522 314 S N -0.668 115.189 115.700 0.263 0.000 3.018 314 S HA -0.237 4.233 4.470 -0.000 0.000 0.274 314 S C 0.473 175.129 174.600 0.093 0.000 1.300 314 S CA 0.840 59.172 58.200 0.219 0.000 1.179 314 S CB -1.158 62.213 63.200 0.286 0.000 1.427 314 S HN 0.558 nan 8.310 nan 0.000 0.668 315 K N 2.503 122.843 120.400 -0.099 0.000 2.218 315 K HA 0.382 4.702 4.320 -0.000 0.000 0.276 315 K C 0.765 177.189 176.600 -0.293 0.000 1.022 315 K CA 0.441 56.353 56.287 -0.626 0.000 0.946 315 K CB 0.630 32.773 32.500 -0.594 0.000 1.000 315 K HN 0.387 nan 8.250 nan 0.000 0.468 316 T N -0.036 114.337 114.554 -0.302 0.000 2.849 316 T HA 0.079 4.429 4.350 -0.000 0.000 0.276 316 T C 1.291 175.913 174.700 -0.130 0.000 0.971 316 T CA -0.556 61.452 62.100 -0.154 0.000 0.949 316 T CB 0.659 69.458 68.868 -0.116 0.000 1.093 316 T HN 0.727 nan 8.240 nan 0.000 0.545 317 N N -0.176 118.477 118.700 -0.080 0.000 2.348 317 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 317 N C 0.401 175.873 175.510 -0.063 0.000 1.019 317 N CA 0.572 53.587 53.050 -0.058 0.000 0.880 317 N CB -0.895 37.568 38.487 -0.039 0.000 0.965 317 N HN 0.406 nan 8.380 nan 0.000 0.437 318 V N 2.528 122.395 119.914 -0.078 0.000 2.258 318 V HA 0.048 4.168 4.120 -0.000 0.000 0.258 318 V C 0.261 176.301 176.094 -0.090 0.000 1.121 318 V CA -0.407 61.848 62.300 -0.075 0.000 0.942 318 V CB -0.018 31.760 31.823 -0.074 0.000 1.170 318 V HN -0.010 nan 8.190 nan 0.000 0.487 319 D N 2.804 123.163 120.400 -0.068 0.000 2.664 319 D HA -0.269 4.371 4.640 -0.000 0.000 0.195 319 D C 1.667 177.987 176.300 0.034 0.000 1.063 319 D CA 2.138 56.114 54.000 -0.039 0.000 0.935 319 D CB -0.034 40.766 40.800 -0.000 0.000 0.877 319 D HN 0.760 nan 8.370 nan 0.000 0.464 320 N N 0.037 118.744 118.700 0.011 0.000 2.214 320 N HA 0.026 4.766 4.740 -0.000 0.000 0.214 320 N C -0.288 175.372 175.510 0.250 0.000 1.132 320 N CA 0.005 53.117 53.050 0.104 0.000 0.856 320 N CB 0.446 38.822 38.487 -0.185 0.000 1.020 320 N HN 0.183 nan 8.380 nan 0.000 0.509 321 I N 1.020 121.656 120.570 0.110 0.000 2.466 321 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 321 I C -1.195 174.891 176.117 -0.051 0.000 1.026 321 I CA -0.912 60.459 61.300 0.118 0.000 1.078 321 I CB 1.343 39.343 38.000 -0.000 0.000 1.249 321 I HN -0.180 nan 8.210 nan 0.000 0.429 322 Y N 3.818 124.137 120.300 0.032 0.000 2.509 322 Y HA 0.779 5.329 4.550 -0.000 0.000 0.341 322 Y C 0.135 175.949 175.900 -0.143 0.000 1.038 322 Y CA -0.967 57.106 58.100 -0.045 0.000 1.089 322 Y CB 2.212 40.607 38.460 -0.108 0.000 1.241 322 Y HN 0.547 nan 8.280 nan 0.000 0.468 323 A N 3.897 126.722 122.820 0.008 0.000 2.359 323 A HA 0.848 5.168 4.320 -0.000 0.000 0.303 323 A C -1.036 176.535 177.584 -0.021 0.000 1.066 323 A CA -0.606 51.413 52.037 -0.030 0.000 0.730 323 A CB 0.539 19.523 19.000 -0.025 0.000 1.211 323 A HN 0.740 nan 8.150 nan 0.000 0.439 324 I N -0.494 120.050 120.570 -0.043 0.000 3.042 324 I HA 0.959 5.129 4.170 -0.000 0.000 0.310 324 I C 0.431 176.551 176.117 0.004 0.000 1.117 324 I CA -0.295 60.997 61.300 -0.013 0.000 1.003 324 I CB 2.110 40.093 38.000 -0.030 0.000 1.228 324 I HN 1.722 nan 8.210 nan 0.000 0.443 325 G N 3.287 112.105 108.800 0.029 0.000 2.568 325 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.222 325 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.222 325 G C -0.065 174.858 174.900 0.039 0.000 1.321 325 G CA 0.453 45.577 45.100 0.040 0.000 0.893 325 G HN 0.800 nan 8.290 nan 0.000 0.569 326 D N -0.616 119.818 120.400 0.056 0.000 2.190 326 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 326 D C 2.444 178.776 176.300 0.054 0.000 0.992 326 D CA 1.437 55.476 54.000 0.065 0.000 0.854 326 D CB -0.213 40.644 40.800 0.096 0.000 0.936 326 D HN 0.565 nan 8.370 nan 0.000 0.462 327 V N 0.813 120.754 119.914 0.045 0.000 2.759 327 V HA -0.176 3.944 4.120 -0.000 0.000 0.256 327 V C 2.147 178.251 176.094 0.017 0.000 1.080 327 V CA 2.304 64.625 62.300 0.036 0.000 1.101 327 V CB -0.505 31.334 31.823 0.027 0.000 0.698 327 V HN 0.403 nan 8.190 nan 0.000 0.477 328 T N -3.617 110.939 114.554 0.003 0.000 3.051 328 T HA 0.034 4.384 4.350 -0.000 0.000 0.255 328 T C 1.018 175.702 174.700 -0.027 0.000 1.085 328 T CA 0.761 62.850 62.100 -0.017 0.000 1.109 328 T CB -0.217 68.632 68.868 -0.032 0.000 0.921 328 T HN 0.498 nan 8.240 nan 0.000 0.488 329 D N 0.562 120.953 120.400 -0.015 0.000 2.760 329 D HA -0.143 4.497 4.640 -0.000 0.000 0.244 329 D C 0.681 176.945 176.300 -0.059 0.000 1.096 329 D CA 0.480 54.472 54.000 -0.014 0.000 0.716 329 D CB -1.105 39.696 40.800 0.001 0.000 1.075 329 D HN 0.577 nan 8.370 nan 0.000 0.434 330 R N -0.980 119.459 120.500 -0.102 0.000 1.835 330 R HA 0.487 4.827 4.340 -0.000 0.000 0.162 330 R C 0.202 176.435 176.300 -0.111 0.000 1.911 330 R CA 0.404 56.380 56.100 -0.205 0.000 1.491 330 R CB 0.473 30.473 30.300 -0.500 0.000 1.166 330 R HN 0.036 nan 8.270 nan 0.000 0.478 331 V N 2.754 122.639 119.914 -0.049 0.000 2.349 331 V HA 0.281 4.401 4.120 -0.000 0.000 0.284 331 V C -0.183 175.937 176.094 0.043 0.000 1.014 331 V CA -0.329 61.983 62.300 0.021 0.000 0.826 331 V CB 1.488 33.351 31.823 0.067 0.000 1.009 331 V HN 0.370 nan 8.190 nan 0.000 0.431 332 M N 6.256 125.882 119.600 0.044 0.000 3.268 332 M HA 0.288 4.768 4.480 -0.000 0.000 0.249 332 M C -1.163 175.184 176.300 0.079 0.000 1.527 332 M CA 0.483 55.826 55.300 0.072 0.000 1.645 332 M CB -0.464 32.194 32.600 0.096 0.000 1.193 332 M HN 0.323 nan 8.290 nan 0.000 0.534 333 L N 0.431 121.694 121.223 0.068 0.000 2.424 333 L HA 0.369 4.709 4.340 -0.000 0.000 0.258 333 L C 1.075 177.983 176.870 0.063 0.000 0.995 333 L CA -0.086 54.789 54.840 0.059 0.000 0.821 333 L CB 1.861 43.937 42.059 0.029 0.000 1.383 333 L HN 0.283 nan 8.230 nan 0.000 0.410 334 T N 1.870 116.461 114.554 0.062 0.000 2.708 334 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 334 T C -1.128 173.598 174.700 0.043 0.000 1.037 334 T CA 1.846 63.979 62.100 0.055 0.000 1.146 334 T CB -0.285 68.615 68.868 0.053 0.000 0.865 334 T HN 0.482 nan 8.240 nan 0.000 0.435 335 P HA -0.082 nan 4.420 nan 0.000 0.216 335 P C 1.574 178.889 177.300 0.025 0.000 1.153 335 P CA 0.829 63.944 63.100 0.024 0.000 0.858 335 P CB -0.197 31.512 31.700 0.016 0.000 0.789 336 V N 0.234 120.170 119.914 0.036 0.000 2.261 336 V HA -0.267 3.852 4.120 -0.000 0.000 0.246 336 V C 2.499 178.636 176.094 0.071 0.000 1.047 336 V CA 2.325 64.657 62.300 0.054 0.000 1.015 336 V CB -1.923 29.965 31.823 0.110 0.000 0.642 336 V HN 0.109 nan 8.190 nan 0.000 0.446 337 A N -0.314 122.548 122.820 0.071 0.000 1.978 337 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 337 A C 2.211 179.829 177.584 0.057 0.000 1.170 337 A CA 1.983 54.060 52.037 0.067 0.000 0.636 337 A CB -0.582 18.453 19.000 0.058 0.000 0.810 337 A HN 0.535 nan 8.150 nan 0.000 0.448 338 I N -0.457 120.142 120.570 0.048 0.000 2.193 338 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 338 I C 2.542 178.689 176.117 0.051 0.000 1.084 338 I CA 1.396 62.724 61.300 0.047 0.000 1.365 338 I CB -0.452 37.569 38.000 0.035 0.000 1.064 338 I HN 0.494 nan 8.210 nan 0.000 0.410 339 N N 1.082 119.802 118.700 0.034 0.000 2.149 339 N HA -0.230 4.510 4.740 -0.000 0.000 0.188 339 N C 1.683 177.215 175.510 0.036 0.000 1.019 339 N CA 1.497 54.559 53.050 0.020 0.000 0.857 339 N CB 0.066 38.540 38.487 -0.021 0.000 0.997 339 N HN 0.429 nan 8.380 nan 0.000 0.426 340 E N -0.345 119.887 120.200 0.053 0.000 2.051 340 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 340 E C 1.993 178.657 176.600 0.107 0.000 0.991 340 E CA 1.191 57.642 56.400 0.085 0.000 0.799 340 E CB -0.347 29.423 29.700 0.117 0.000 0.748 340 E HN 0.471 nan 8.360 nan 0.000 0.449 341 G N 0.985 109.843 108.800 0.096 0.000 2.422 341 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 341 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 341 G C 1.672 176.679 174.900 0.178 0.000 1.140 341 G CA 0.787 45.964 45.100 0.130 0.000 0.775 341 G HN 0.327 nan 8.290 nan 0.000 0.545 342 A N 1.261 124.158 122.820 0.129 0.000 1.902 342 A HA 0.287 4.607 4.320 -0.000 0.000 0.217 342 A C 2.818 180.460 177.584 0.097 0.000 1.181 342 A CA 2.129 54.239 52.037 0.120 0.000 0.623 342 A CB -0.785 18.272 19.000 0.094 0.000 0.818 342 A HN 0.726 nan 8.150 nan 0.000 0.443 343 A N -0.736 122.140 122.820 0.094 0.000 1.883 343 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 343 A C 2.050 179.681 177.584 0.078 0.000 1.186 343 A CA 1.752 53.839 52.037 0.083 0.000 0.624 343 A CB -0.825 18.228 19.000 0.089 0.000 0.822 343 A HN 0.818 nan 8.150 nan 0.000 0.444 344 F N 1.085 120.993 119.950 -0.070 0.000 2.065 344 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 344 F C 2.183 177.774 175.800 -0.348 0.000 1.112 344 F CA 2.190 60.054 58.000 -0.228 0.000 1.212 344 F CB -0.735 38.140 39.000 -0.207 0.000 0.975 344 F HN 0.021 nan 8.300 nan 0.000 0.476 345 V N 1.040 120.772 119.914 -0.303 0.000 2.317 345 V HA -0.374 3.746 4.120 -0.000 0.000 0.251 345 V C 2.187 177.973 176.094 -0.514 0.000 1.065 345 V CA 2.310 64.342 62.300 -0.446 0.000 1.049 345 V CB -0.850 30.944 31.823 -0.049 0.000 0.651 345 V HN 0.374 nan 8.190 nan 0.000 0.450 346 D N -0.209 120.018 120.400 -0.288 0.000 2.075 346 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 346 D C 2.311 178.431 176.300 -0.301 0.000 0.985 346 D CA 1.962 55.829 54.000 -0.221 0.000 0.834 346 D CB -0.838 39.920 40.800 -0.070 0.000 0.987 346 D HN 0.368 nan 8.370 nan 0.000 0.452 347 T N 0.485 114.874 114.554 -0.274 0.000 2.680 347 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 347 T C 2.044 176.450 174.700 -0.490 0.000 1.033 347 T CA 1.238 63.165 62.100 -0.289 0.000 1.152 347 T CB -0.291 68.470 68.868 -0.179 0.000 0.859 347 T HN -0.023 nan 8.240 nan 0.000 0.452 348 V N -0.895 118.488 119.914 -0.885 0.000 2.949 348 V HA 0.188 4.308 4.120 -0.000 0.000 0.245 348 V C 1.145 176.606 176.094 -1.056 0.000 1.086 348 V CA 0.887 62.454 62.300 -1.221 0.000 1.097 348 V CB -0.135 30.384 31.823 -2.174 0.000 0.762 348 V HN 0.366 nan 8.190 nan 0.000 0.470 349 F N -0.372 119.175 119.950 -0.671 0.000 2.688 349 F HA 0.615 5.142 4.527 -0.000 0.000 0.310 349 F C 1.212 176.754 175.800 -0.431 0.000 1.098 349 F CA 0.126 57.803 58.000 -0.539 0.000 1.228 349 F CB 0.283 38.898 39.000 -0.642 0.000 1.042 349 F HN 0.088 nan 8.300 nan 0.000 0.557 350 A N -0.696 121.990 122.820 -0.224 0.000 2.701 350 A HA 0.250 4.570 4.320 -0.000 0.000 0.241 350 A C 0.572 178.114 177.584 -0.070 0.000 1.231 350 A CA -0.247 51.740 52.037 -0.084 0.000 1.003 350 A CB -0.719 18.261 19.000 -0.035 0.000 1.281 350 A HN 0.255 nan 8.150 nan 0.000 0.600 351 N N 0.310 118.937 118.700 -0.122 0.000 2.707 351 N HA -0.208 4.531 4.740 -0.000 0.000 0.253 351 N C -0.184 175.284 175.510 -0.070 0.000 0.998 351 N CA 1.369 54.361 53.050 -0.097 0.000 0.751 351 N CB -0.963 37.492 38.487 -0.053 0.000 0.920 351 N HN 0.638 nan 8.380 nan 0.000 0.539 352 K N 0.354 120.708 120.400 -0.077 0.000 2.687 352 K HA 0.287 4.607 4.320 -0.000 0.000 0.197 352 K C -2.934 173.653 176.600 -0.023 0.000 1.049 352 K CA -1.986 54.280 56.287 -0.035 0.000 1.030 352 K CB 1.030 33.522 32.500 -0.012 0.000 1.261 352 K HN -0.149 nan 8.250 nan 0.000 0.565 353 P HA 0.030 nan 4.420 nan 0.000 0.264 353 P C -1.006 176.437 177.300 0.237 0.000 1.236 353 P CA 0.169 63.265 63.100 -0.006 0.000 0.811 353 P CB 0.379 31.992 31.700 -0.145 0.000 0.840 354 R N 2.729 123.404 120.500 0.291 0.000 2.637 354 R HA 0.793 5.133 4.340 -0.000 0.000 0.291 354 R C -0.882 175.548 176.300 0.217 0.000 0.963 354 R CA -0.929 55.314 56.100 0.239 0.000 0.901 354 R CB 2.413 32.776 30.300 0.104 0.000 1.160 354 R HN 0.320 nan 8.270 nan 0.000 0.457 355 A N 2.146 124.939 122.820 -0.046 0.000 2.335 355 A HA 0.370 4.690 4.320 -0.000 0.000 0.304 355 A C -0.338 177.158 177.584 -0.147 0.000 1.118 355 A CA -0.550 51.334 52.037 -0.256 0.000 0.757 355 A CB 1.367 19.991 19.000 -0.625 0.000 1.188 355 A HN 0.606 nan 8.150 nan 0.000 0.460 356 T N 1.853 116.332 114.554 -0.125 0.000 2.946 356 T HA 0.105 4.455 4.350 -0.000 0.000 0.311 356 T C -0.087 174.367 174.700 -0.411 0.000 1.063 356 T CA 0.813 62.768 62.100 -0.242 0.000 1.139 356 T CB 0.200 68.892 68.868 -0.294 0.000 0.994 356 T HN 0.629 nan 8.240 nan 0.000 0.547 357 D N 1.106 121.291 120.400 -0.358 0.000 2.313 357 D HA 0.152 4.792 4.640 -0.000 0.000 0.239 357 D C 0.190 176.232 176.300 -0.430 0.000 1.142 357 D CA -0.384 53.437 54.000 -0.297 0.000 0.847 357 D CB 0.591 41.297 40.800 -0.156 0.000 1.082 357 D HN 0.555 nan 8.370 nan 0.000 0.480 358 H N 1.033 120.070 119.070 -0.054 0.000 2.537 358 H HA 0.197 4.753 4.556 -0.000 0.000 0.295 358 H C 0.292 175.575 175.328 -0.076 0.000 1.054 358 H CA -0.097 55.917 56.048 -0.057 0.000 1.156 358 H CB 0.254 29.986 29.762 -0.050 0.000 1.468 358 H HN 0.246 nan 8.280 nan 0.000 0.551 359 T N -2.444 112.080 114.554 -0.050 0.000 2.932 359 T HA 0.361 4.711 4.350 -0.000 0.000 0.289 359 T C 0.324 174.964 174.700 -0.100 0.000 1.039 359 T CA -1.209 60.843 62.100 -0.080 0.000 1.024 359 T CB 1.981 70.808 68.868 -0.067 0.000 1.090 359 T HN 0.138 nan 8.240 nan 0.000 0.496 360 K N -0.176 120.143 120.400 -0.134 0.000 3.016 360 K HA -0.100 4.220 4.320 -0.000 0.000 0.262 360 K C -0.394 176.147 176.600 -0.099 0.000 1.043 360 K CA 0.573 56.789 56.287 -0.118 0.000 0.761 360 K CB -2.115 30.336 32.500 -0.081 0.000 1.230 360 K HN 0.544 nan 8.250 nan 0.000 0.485 361 V N 1.040 120.892 119.914 -0.103 0.000 2.353 361 V HA 0.433 4.553 4.120 -0.000 0.000 0.264 361 V C 0.894 176.934 176.094 -0.090 0.000 1.049 361 V CA -0.255 61.996 62.300 -0.082 0.000 0.896 361 V CB 0.939 32.724 31.823 -0.062 0.000 1.025 361 V HN 0.393 nan 8.190 nan 0.000 0.475 362 A N 5.201 127.976 122.820 -0.076 0.000 2.386 362 A HA 0.631 4.951 4.320 -0.000 0.000 0.248 362 A C 0.344 177.890 177.584 -0.063 0.000 1.082 362 A CA 0.165 52.158 52.037 -0.074 0.000 0.789 362 A CB 0.262 19.227 19.000 -0.058 0.000 1.025 362 A HN 1.398 nan 8.150 nan 0.000 0.490 363 C N -1.131 118.131 119.300 -0.064 0.000 3.332 363 C HA 0.976 5.436 4.460 -0.000 0.000 0.329 363 C C -0.234 174.716 174.990 -0.066 0.000 1.434 363 C CA -0.113 58.870 59.018 -0.059 0.000 1.314 363 C CB 0.978 28.669 27.740 -0.082 0.000 1.664 363 C HN 2.074 nan 8.230 nan 0.000 0.457 364 A N 0.180 122.931 122.820 -0.114 0.000 2.539 364 A HA 0.836 5.156 4.320 -0.000 0.000 0.296 364 A C -1.510 175.879 177.584 -0.325 0.000 1.073 364 A CA -0.475 51.400 52.037 -0.270 0.000 0.700 364 A CB 1.520 20.214 19.000 -0.510 0.000 1.296 364 A HN 1.673 nan 8.150 nan 0.000 0.405 365 V N 1.659 121.345 119.914 -0.381 0.000 2.334 365 V HA 0.311 4.431 4.120 -0.000 0.000 0.281 365 V C -0.783 175.097 176.094 -0.358 0.000 1.016 365 V CA -0.012 62.138 62.300 -0.251 0.000 0.832 365 V CB 0.696 32.351 31.823 -0.279 0.000 0.999 365 V HN 0.757 nan 8.190 nan 0.000 0.439 366 F N 3.360 123.305 119.950 -0.008 0.000 2.913 366 F HA 0.155 4.682 4.527 -0.000 0.000 0.293 366 F C 1.641 177.397 175.800 -0.073 0.000 1.223 366 F CA -0.203 57.772 58.000 -0.041 0.000 1.393 366 F CB -0.279 38.699 39.000 -0.036 0.000 1.102 366 F HN 0.587 nan 8.300 nan 0.000 0.524 367 S N 0.089 115.783 115.700 -0.010 0.000 2.625 367 S HA 0.470 4.940 4.470 -0.000 0.000 0.258 367 S C -0.017 174.565 174.600 -0.029 0.000 1.256 367 S CA -0.591 57.584 58.200 -0.041 0.000 0.983 367 S CB 1.110 64.255 63.200 -0.092 0.000 1.032 367 S HN 0.140 nan 8.310 nan 0.000 0.572 368 I N 2.246 122.796 120.570 -0.033 0.000 2.517 368 I HA 0.376 4.546 4.170 -0.000 0.000 0.280 368 I C -2.618 173.490 176.117 -0.016 0.000 1.061 368 I CA -1.655 59.633 61.300 -0.020 0.000 1.091 368 I CB 1.524 39.522 38.000 -0.004 0.000 1.205 368 I HN 0.541 nan 8.210 nan 0.000 0.459 369 P HA 0.573 nan 4.420 nan 0.000 0.285 369 P C -2.933 174.308 177.300 -0.098 0.000 1.285 369 P CA -1.970 61.093 63.100 -0.062 0.000 0.854 369 P CB 1.490 33.142 31.700 -0.080 0.000 1.180 370 P HA 0.417 nan 4.420 nan 0.000 0.279 370 P C -0.585 176.583 177.300 -0.220 0.000 1.276 370 P CA -0.281 62.715 63.100 -0.173 0.000 0.801 370 P CB 1.000 32.597 31.700 -0.172 0.000 1.127 371 M N -0.623 118.814 119.600 -0.271 0.000 2.619 371 M HA 0.653 5.133 4.480 -0.000 0.000 0.297 371 M C -0.243 175.924 176.300 -0.222 0.000 1.229 371 M CA -0.368 54.798 55.300 -0.223 0.000 0.860 371 M CB 2.894 35.376 32.600 -0.196 0.000 1.741 371 M HN 0.438 nan 8.290 nan 0.000 0.462 372 G N 1.222 109.944 108.800 -0.130 0.000 2.719 372 G HA2 0.642 4.602 3.960 -0.000 0.000 0.284 372 G HA3 0.642 4.602 3.960 -0.000 0.000 0.284 372 G C -1.753 173.138 174.900 -0.015 0.000 1.488 372 G CA -0.557 44.486 45.100 -0.094 0.000 1.139 372 G HN 0.771 nan 8.290 nan 0.000 0.552 373 V N -1.048 118.877 119.914 0.019 0.000 3.007 373 V HA 0.909 5.029 4.120 -0.000 0.000 0.311 373 V C -0.743 175.305 176.094 -0.078 0.000 1.120 373 V CA -1.287 61.031 62.300 0.030 0.000 0.980 373 V CB 1.445 33.416 31.823 0.247 0.000 1.033 373 V HN 1.221 nan 8.190 nan 0.000 0.429 374 C N 3.394 122.574 119.300 -0.199 0.000 2.752 374 C HA 0.964 5.424 4.460 -0.000 0.000 0.360 374 C C 0.397 175.212 174.990 -0.290 0.000 1.081 374 C CA 1.040 59.940 59.018 -0.197 0.000 1.272 374 C CB 0.332 27.993 27.740 -0.132 0.000 1.754 374 C HN 2.830 nan 8.230 nan 0.000 0.483 375 G N 4.010 112.669 108.800 -0.234 0.000 2.466 375 G HA2 0.026 3.985 3.960 -0.000 0.000 0.316 375 G HA3 0.026 3.985 3.960 -0.000 0.000 0.316 375 G C -1.490 173.325 174.900 -0.143 0.000 1.270 375 G CA -0.577 44.390 45.100 -0.222 0.000 0.982 375 G HN 0.939 nan 8.290 nan 0.000 0.506 376 Y N 0.312 120.615 120.300 0.005 0.000 2.319 376 Y HA 0.441 4.991 4.550 -0.000 0.000 0.328 376 Y C 1.431 177.450 175.900 0.198 0.000 1.133 376 Y CA 0.234 58.379 58.100 0.075 0.000 1.265 376 Y CB 1.283 39.779 38.460 0.060 0.000 1.218 376 Y HN 0.715 nan 8.280 nan 0.000 0.508 377 V N 1.175 121.279 119.914 0.317 0.000 2.953 377 V HA 0.151 4.271 4.120 -0.000 0.000 0.304 377 V C 1.053 177.205 176.094 0.097 0.000 1.073 377 V CA -0.713 61.674 62.300 0.144 0.000 1.064 377 V CB 1.243 33.066 31.823 0.000 0.000 1.047 377 V HN 0.938 nan 8.190 nan 0.000 0.478 378 E N 1.051 121.251 120.200 -0.000 0.000 2.065 378 E HA -0.346 4.004 4.350 -0.000 0.000 0.201 378 E C 1.569 178.003 176.600 -0.277 0.000 1.016 378 E CA 2.100 58.407 56.400 -0.155 0.000 0.818 378 E CB -0.372 29.220 29.700 -0.180 0.000 0.749 378 E HN 0.847 nan 8.360 nan 0.000 0.453 379 E N 1.490 121.582 120.200 -0.182 0.000 2.086 379 E HA -0.233 4.117 4.350 -0.000 0.000 0.205 379 E C 1.924 178.463 176.600 -0.101 0.000 1.027 379 E CA 2.117 58.433 56.400 -0.140 0.000 0.830 379 E CB -0.285 29.404 29.700 -0.019 0.000 0.751 379 E HN 0.396 nan 8.360 nan 0.000 0.456 380 D N -0.284 120.107 120.400 -0.014 0.000 2.097 380 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 380 D C 1.880 178.103 176.300 -0.128 0.000 0.989 380 D CA 1.520 55.536 54.000 0.027 0.000 0.827 380 D CB -0.559 40.391 40.800 0.250 0.000 0.966 380 D HN 0.240 nan 8.370 nan 0.000 0.456 381 A N 1.324 124.018 122.820 -0.210 0.000 1.908 381 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 381 A C 2.357 179.917 177.584 -0.040 0.000 1.181 381 A CA 2.514 54.402 52.037 -0.248 0.000 0.627 381 A CB -0.915 17.965 19.000 -0.200 0.000 0.818 381 A HN 0.238 nan 8.150 nan 0.000 0.445 382 A N -0.120 122.609 122.820 -0.152 0.000 1.958 382 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 382 A C 2.022 179.578 177.584 -0.047 0.000 1.178 382 A CA 2.060 54.019 52.037 -0.130 0.000 0.642 382 A CB -0.460 18.332 19.000 -0.345 0.000 0.816 382 A HN 0.600 nan 8.150 nan 0.000 0.453 383 K N -0.856 119.495 120.400 -0.081 0.000 2.459 383 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 383 K C 1.098 177.605 176.600 -0.154 0.000 1.030 383 K CA 0.849 57.090 56.287 -0.076 0.000 1.026 383 K CB 0.124 32.592 32.500 -0.054 0.000 0.809 383 K HN 0.437 nan 8.250 nan 0.000 0.504 384 K N -0.403 119.834 120.400 -0.272 0.000 2.402 384 K HA 0.140 4.460 4.320 -0.000 0.000 0.203 384 K C -0.754 175.290 176.600 -0.927 0.000 1.077 384 K CA 0.071 55.999 56.287 -0.599 0.000 1.051 384 K CB 0.782 32.784 32.500 -0.829 0.000 0.907 384 K HN -0.025 nan 8.250 nan 0.000 0.554 385 Y N 0.027 120.276 120.300 -0.085 0.000 2.479 385 Y HA 0.138 4.688 4.550 -0.000 0.000 0.338 385 Y C 0.313 176.212 175.900 -0.000 0.000 1.055 385 Y CA -1.349 56.726 58.100 -0.041 0.000 1.023 385 Y CB 1.478 39.908 38.460 -0.050 0.000 1.287 385 Y HN -0.160 nan 8.280 nan 0.000 0.447 386 D N 0.844 121.323 120.400 0.132 0.000 2.104 386 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 386 D C 0.203 176.597 176.300 0.157 0.000 0.994 386 D CA 1.495 55.562 54.000 0.111 0.000 0.830 386 D CB 0.124 40.971 40.800 0.078 0.000 0.959 386 D HN 0.719 nan 8.370 nan 0.000 0.452 387 Q N 0.778 120.693 119.800 0.191 0.000 2.363 387 Q HA 0.464 4.804 4.340 -0.000 0.000 0.265 387 Q C -0.733 175.426 176.000 0.265 0.000 1.032 387 Q CA -0.747 55.194 55.803 0.230 0.000 0.746 387 Q CB 2.083 30.952 28.738 0.219 0.000 1.237 387 Q HN 0.014 nan 8.270 nan 0.000 0.475 388 V N -0.124 119.940 119.914 0.250 0.000 2.459 388 V HA 0.967 5.087 4.120 -0.000 0.000 0.295 388 V C -0.303 175.874 176.094 0.139 0.000 1.029 388 V CA -0.517 61.876 62.300 0.154 0.000 0.874 388 V CB 1.106 32.955 31.823 0.044 0.000 0.985 388 V HN 0.839 nan 8.190 nan 0.000 0.438 389 A N 4.369 127.196 122.820 0.011 0.000 2.303 389 A HA 0.860 5.180 4.320 -0.000 0.000 0.317 389 A C -0.444 176.937 177.584 -0.338 0.000 1.149 389 A CA -0.663 51.158 52.037 -0.359 0.000 0.822 389 A CB 1.603 20.409 19.000 -0.322 0.000 1.131 389 A HN 1.472 nan 8.150 nan 0.000 0.493 390 V N 3.174 122.678 119.914 -0.684 0.000 2.398 390 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 390 V C -1.563 174.248 176.094 -0.471 0.000 1.014 390 V CA -0.382 61.613 62.300 -0.509 0.000 0.838 390 V CB 0.379 31.721 31.823 -0.802 0.000 1.018 390 V HN 0.724 nan 8.190 nan 0.000 0.432 391 Y N 2.306 122.469 120.300 -0.229 0.000 2.320 391 Y HA 0.684 5.234 4.550 -0.000 0.000 0.334 391 Y C 0.411 176.292 175.900 -0.031 0.000 1.055 391 Y CA -0.942 57.086 58.100 -0.120 0.000 1.143 391 Y CB 1.200 39.631 38.460 -0.049 0.000 1.193 391 Y HN 0.659 nan 8.280 nan 0.000 0.477 392 E N 1.443 121.735 120.200 0.154 0.000 2.317 392 E HA 0.667 5.017 4.350 -0.000 0.000 0.270 392 E C -1.540 175.159 176.600 0.166 0.000 0.885 392 E CA -0.678 55.817 56.400 0.158 0.000 0.760 392 E CB 1.959 31.750 29.700 0.151 0.000 1.227 392 E HN 0.551 nan 8.360 nan 0.000 0.434 393 S N 1.984 117.798 115.700 0.190 0.000 2.546 393 S HA 0.585 5.054 4.470 -0.000 0.000 0.272 393 S C -1.723 173.052 174.600 0.292 0.000 1.140 393 S CA -0.350 57.980 58.200 0.217 0.000 0.920 393 S CB 1.331 64.658 63.200 0.212 0.000 1.083 393 S HN 0.579 nan 8.310 nan 0.000 0.476 394 S N 3.270 119.157 115.700 0.312 0.000 2.548 394 S HA 0.916 5.386 4.470 -0.000 0.000 0.276 394 S C -1.019 173.834 174.600 0.421 0.000 1.129 394 S CA -0.787 57.612 58.200 0.332 0.000 0.931 394 S CB 1.155 64.452 63.200 0.161 0.000 1.068 394 S HN 1.434 nan 8.310 nan 0.000 0.480 395 F N -1.776 118.257 119.950 0.138 0.000 2.693 395 F HA 0.773 5.300 4.527 -0.000 0.000 0.309 395 F C -1.061 174.811 175.800 0.121 0.000 1.129 395 F CA -1.012 57.053 58.000 0.109 0.000 0.948 395 F CB 0.886 39.940 39.000 0.090 0.000 1.315 395 F HN 0.431 nan 8.300 nan 0.000 0.447 396 T N 3.111 117.682 114.554 0.027 0.000 2.753 396 T HA 0.448 4.798 4.350 -0.000 0.000 0.297 396 T C -2.662 172.076 174.700 0.064 0.000 0.981 396 T CA -1.069 61.011 62.100 -0.033 0.000 0.956 396 T CB 0.662 69.553 68.868 0.040 0.000 0.936 396 T HN 0.351 nan 8.240 nan 0.000 0.463 397 P HA -0.056 nan 4.420 nan 0.000 0.263 397 P C 0.945 178.292 177.300 0.078 0.000 1.162 397 P CA -0.238 62.913 63.100 0.086 0.000 0.758 397 P CB 0.450 32.140 31.700 -0.017 0.000 0.773 398 L N 4.853 126.127 121.223 0.086 0.000 2.079 398 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 398 L C 2.042 178.943 176.870 0.051 0.000 1.081 398 L CA 1.827 56.706 54.840 0.066 0.000 0.752 398 L CB -1.038 41.054 42.059 0.055 0.000 0.896 398 L HN 0.490 nan 8.230 nan 0.000 0.433 399 M N -2.552 117.056 119.600 0.013 0.000 2.202 399 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 399 M C 1.513 177.842 176.300 0.047 0.000 1.063 399 M CA 1.772 57.132 55.300 0.099 0.000 1.097 399 M CB -0.840 31.708 32.600 -0.087 0.000 1.382 399 M HN 0.172 nan 8.290 nan 0.000 0.413 400 H N 0.838 119.971 119.070 0.104 0.000 2.547 400 H HA 0.179 4.735 4.556 -0.000 0.000 0.266 400 H C 1.065 176.411 175.328 0.031 0.000 0.988 400 H CA 0.449 56.525 56.048 0.047 0.000 1.147 400 H CB -0.315 29.419 29.762 -0.047 0.000 1.365 400 H HN 0.568 nan 8.280 nan 0.000 0.589 401 N N 0.225 118.997 118.700 0.119 0.000 2.333 401 N HA 0.005 4.745 4.740 -0.000 0.000 0.178 401 N C 1.860 177.387 175.510 0.028 0.000 1.018 401 N CA 0.369 53.460 53.050 0.068 0.000 0.882 401 N CB 0.390 38.905 38.487 0.047 0.000 0.984 401 N HN 0.364 nan 8.380 nan 0.000 0.434 402 I N 0.412 120.974 120.570 -0.013 0.000 2.852 402 I HA -0.097 4.073 4.170 -0.000 0.000 0.264 402 I C 2.195 178.250 176.117 -0.103 0.000 1.179 402 I CA 0.528 61.717 61.300 -0.185 0.000 1.480 402 I CB -0.084 37.591 38.000 -0.543 0.000 1.111 402 I HN 0.079 nan 8.210 nan 0.000 0.441 403 S N 0.313 116.121 115.700 0.178 0.000 2.395 403 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 403 S C 1.808 176.529 174.600 0.201 0.000 1.027 403 S CA 0.966 59.364 58.200 0.328 0.000 0.965 403 S CB 0.319 63.832 63.200 0.522 0.000 0.812 403 S HN 0.543 nan 8.310 nan 0.000 0.482 404 G N 0.260 109.156 108.800 0.160 0.000 2.278 404 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.210 404 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.210 404 G C 0.436 175.407 174.900 0.118 0.000 1.000 404 G CA 0.064 45.236 45.100 0.119 0.000 0.635 404 G HN 0.656 nan 8.290 nan 0.000 0.495 405 S N 1.809 117.540 115.700 0.052 0.000 4.085 405 S HA 0.378 4.848 4.470 -0.000 0.000 0.189 405 S C 1.399 175.744 174.600 -0.425 0.000 1.392 405 S CA 0.737 58.792 58.200 -0.242 0.000 0.972 405 S CB 0.536 63.407 63.200 -0.548 0.000 1.482 405 S HN 0.435 nan 8.310 nan 0.000 0.446 406 T N 1.233 115.749 114.554 -0.064 0.000 3.007 406 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 406 T C 1.443 176.121 174.700 -0.037 0.000 1.107 406 T CA 1.049 63.144 62.100 -0.008 0.000 1.118 406 T CB -0.281 68.636 68.868 0.081 0.000 0.889 406 T HN 0.853 nan 8.240 nan 0.000 0.506 407 Y N 0.607 120.877 120.300 -0.051 0.000 2.561 407 Y HA 0.349 4.899 4.550 -0.000 0.000 0.291 407 Y C 0.795 176.649 175.900 -0.077 0.000 1.141 407 Y CA -0.396 57.672 58.100 -0.053 0.000 1.303 407 Y CB -0.611 37.817 38.460 -0.054 0.000 1.015 407 Y HN -0.069 nan 8.280 nan 0.000 0.547 408 K N 3.051 123.057 120.400 -0.656 0.000 2.054 408 K HA 0.086 4.406 4.320 -0.000 0.000 0.242 408 K C -0.482 175.984 176.600 -0.222 0.000 1.157 408 K CA 0.327 56.310 56.287 -0.507 0.000 1.079 408 K CB -0.036 31.970 32.500 -0.823 0.000 1.331 408 K HN 0.319 nan 8.250 nan 0.000 0.317 409 K N 2.510 122.820 120.400 -0.149 0.000 2.234 409 K HA 0.175 4.495 4.320 -0.000 0.000 0.277 409 K C -0.466 176.032 176.600 -0.170 0.000 1.038 409 K CA -0.679 55.523 56.287 -0.140 0.000 0.888 409 K CB 0.816 33.275 32.500 -0.069 0.000 1.091 409 K HN 0.227 nan 8.250 nan 0.000 0.467 410 F N 4.046 123.689 119.950 -0.512 0.000 2.467 410 F HA 0.207 4.734 4.527 -0.000 0.000 0.362 410 F C 0.023 175.677 175.800 -0.244 0.000 1.090 410 F CA -0.233 57.496 58.000 -0.453 0.000 1.202 410 F CB 0.626 39.186 39.000 -0.733 0.000 1.113 410 F HN 0.445 nan 8.300 nan 0.000 0.541 411 M N 7.221 126.678 119.600 -0.238 0.000 2.321 411 M HA 0.691 5.171 4.480 -0.000 0.000 0.315 411 M C -2.090 174.208 176.300 -0.005 0.000 1.052 411 M CA -0.415 54.870 55.300 -0.024 0.000 0.936 411 M CB 1.505 34.068 32.600 -0.063 0.000 1.639 411 M HN 0.288 nan 8.290 nan 0.000 0.433 412 V N 4.868 124.889 119.914 0.177 0.000 2.686 412 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 412 V C -0.873 175.333 176.094 0.188 0.000 1.065 412 V CA -0.725 61.691 62.300 0.194 0.000 0.894 412 V CB 2.101 34.098 31.823 0.291 0.000 1.004 412 V HN 0.900 nan 8.190 nan 0.000 0.424 413 R N 4.564 125.176 120.500 0.187 0.000 2.538 413 R HA 0.722 5.062 4.340 -0.000 0.000 0.292 413 R C -1.600 174.831 176.300 0.219 0.000 1.008 413 R CA -0.636 55.577 56.100 0.190 0.000 0.896 413 R CB 2.697 33.096 30.300 0.165 0.000 1.187 413 R HN 0.603 nan 8.270 nan 0.000 0.440 414 I N 2.952 123.631 120.570 0.180 0.000 2.436 414 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 414 I C -0.176 176.020 176.117 0.132 0.000 1.010 414 I CA -1.177 60.199 61.300 0.126 0.000 1.098 414 I CB 2.323 40.328 38.000 0.009 0.000 1.266 414 I HN 0.327 nan 8.210 nan 0.000 0.434 415 V N 5.078 125.052 119.914 0.100 0.000 2.398 415 V HA 0.744 4.864 4.120 -0.000 0.000 0.286 415 V C -0.027 176.068 176.094 0.001 0.000 1.026 415 V CA 0.143 62.478 62.300 0.060 0.000 0.868 415 V CB 1.407 33.267 31.823 0.062 0.000 0.982 415 V HN 0.849 nan 8.190 nan 0.000 0.443 416 T N 2.287 116.854 114.554 0.021 0.000 2.930 416 T HA 0.448 4.798 4.350 -0.000 0.000 0.290 416 T C -0.258 174.405 174.700 -0.062 0.000 1.052 416 T CA -0.690 61.391 62.100 -0.031 0.000 1.017 416 T CB 1.427 70.334 68.868 0.065 0.000 1.137 416 T HN 0.898 nan 8.240 nan 0.000 0.511 417 N N -0.139 118.469 118.700 -0.153 0.000 2.406 417 N HA 0.085 4.825 4.740 -0.000 0.000 0.251 417 N C 0.554 176.084 175.510 0.035 0.000 1.069 417 N CA -0.426 52.507 53.050 -0.196 0.000 0.947 417 N CB 0.467 38.738 38.487 -0.361 0.000 1.111 417 N HN 0.752 nan 8.380 nan 0.000 0.497 418 H N 3.654 122.742 119.070 0.031 0.000 2.521 418 H HA 0.022 4.578 4.556 -0.000 0.000 0.286 418 H C 1.603 176.978 175.328 0.078 0.000 1.034 418 H CA 1.596 57.709 56.048 0.110 0.000 1.278 418 H CB 0.272 30.163 29.762 0.216 0.000 1.386 418 H HN 0.733 nan 8.280 nan 0.000 0.567 419 A N 0.506 123.337 122.820 0.020 0.000 1.832 419 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 419 A C 1.933 179.475 177.584 -0.071 0.000 1.204 419 A CA 1.548 53.559 52.037 -0.043 0.000 0.606 419 A CB -0.305 18.707 19.000 0.020 0.000 0.849 419 A HN 0.620 nan 8.150 nan 0.000 0.445 420 D N -2.154 118.222 120.400 -0.040 0.000 2.349 420 D HA 0.258 4.897 4.640 -0.000 0.000 0.214 420 D C 1.114 177.384 176.300 -0.049 0.000 1.063 420 D CA 0.923 54.897 54.000 -0.043 0.000 0.847 420 D CB -0.466 40.316 40.800 -0.030 0.000 0.933 420 D HN 0.916 nan 8.370 nan 0.000 0.513 421 G N 1.202 109.980 108.800 -0.037 0.000 2.153 421 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.252 421 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.252 421 G C 0.000 174.843 174.900 -0.096 0.000 0.994 421 G CA 0.356 45.443 45.100 -0.021 0.000 0.698 421 G HN 0.647 nan 8.290 nan 0.000 0.521 422 E N 0.430 120.565 120.200 -0.108 0.000 2.366 422 E HA 0.332 4.682 4.350 -0.000 0.000 0.266 422 E C 0.512 177.004 176.600 -0.179 0.000 1.015 422 E CA -0.542 55.774 56.400 -0.140 0.000 0.906 422 E CB 0.609 30.240 29.700 -0.116 0.000 0.979 422 E HN 0.147 nan 8.360 nan 0.000 0.443 423 V N 7.168 126.942 119.914 -0.232 0.000 2.439 423 V HA -0.015 4.105 4.120 -0.000 0.000 0.271 423 V C 1.070 177.086 176.094 -0.130 0.000 1.040 423 V CA 0.226 62.375 62.300 -0.252 0.000 1.002 423 V CB 0.687 32.239 31.823 -0.451 0.000 1.000 423 V HN 0.746 nan 8.190 nan 0.000 0.477 424 L N 4.244 125.417 121.223 -0.084 0.000 2.463 424 L HA 0.488 4.828 4.340 -0.000 0.000 0.219 424 L C 1.094 178.010 176.870 0.077 0.000 1.088 424 L CA 0.674 55.540 54.840 0.042 0.000 0.849 424 L CB 0.098 42.182 42.059 0.041 0.000 1.012 424 L HN 0.755 nan 8.230 nan 0.000 0.468 425 G N -0.256 108.547 108.800 0.005 0.000 2.760 425 G HA2 0.549 4.509 3.960 -0.000 0.000 0.296 425 G HA3 0.549 4.509 3.960 -0.000 0.000 0.296 425 G C -1.783 173.016 174.900 -0.169 0.000 1.427 425 G CA -0.275 44.763 45.100 -0.103 0.000 1.109 425 G HN -0.265 nan 8.290 nan 0.000 0.553 426 V N 3.559 123.282 119.914 -0.320 0.000 2.487 426 V HA 0.611 4.731 4.120 -0.000 0.000 0.298 426 V C -0.789 175.097 176.094 -0.347 0.000 1.028 426 V CA -0.827 61.390 62.300 -0.139 0.000 0.860 426 V CB 1.657 33.501 31.823 0.035 0.000 0.991 426 V HN 0.779 nan 8.190 nan 0.000 0.427 427 H N 5.492 124.597 119.070 0.060 0.000 2.782 427 H HA 0.652 5.208 4.556 -0.000 0.000 0.347 427 H C -0.898 174.432 175.328 0.004 0.000 1.038 427 H CA -0.527 55.543 56.048 0.037 0.000 1.255 427 H CB 2.113 31.906 29.762 0.051 0.000 1.623 427 H HN 0.515 nan 8.280 nan 0.000 0.525 428 M N 2.792 122.429 119.600 0.061 0.000 2.644 428 M HA 0.373 4.853 4.480 -0.000 0.000 0.304 428 M C -1.248 174.916 176.300 -0.226 0.000 1.215 428 M CA -1.193 54.035 55.300 -0.119 0.000 0.871 428 M CB 3.195 35.699 32.600 -0.160 0.000 1.740 428 M HN 0.235 nan 8.290 nan 0.000 0.464 429 L N 1.571 122.539 121.223 -0.425 0.000 2.446 429 L HA 0.940 5.280 4.340 -0.000 0.000 0.268 429 L C -0.721 175.781 176.870 -0.613 0.000 0.975 429 L CA 0.385 54.998 54.840 -0.378 0.000 0.848 429 L CB 1.599 43.514 42.059 -0.241 0.000 1.225 429 L HN 0.870 nan 8.230 nan 0.000 0.410 430 G N 2.902 111.426 108.800 -0.459 0.000 2.337 430 G HA2 0.128 4.088 3.960 -0.000 0.000 0.310 430 G HA3 0.128 4.088 3.960 -0.000 0.000 0.310 430 G C -1.739 173.132 174.900 -0.049 0.000 1.534 430 G CA -1.015 43.888 45.100 -0.330 0.000 0.982 430 G HN 0.526 nan 8.290 nan 0.000 0.672 431 D N 0.306 120.771 120.400 0.109 0.000 2.506 431 D HA 0.351 4.991 4.640 -0.000 0.000 0.234 431 D C 1.292 177.709 176.300 0.195 0.000 1.143 431 D CA 1.714 55.781 54.000 0.113 0.000 0.871 431 D CB 0.979 41.836 40.800 0.095 0.000 1.190 431 D HN 0.903 nan 8.370 nan 0.000 0.459 432 S N -0.322 115.442 115.700 0.107 0.000 2.691 432 S HA -0.275 4.195 4.470 -0.000 0.000 0.262 432 S C 1.670 176.335 174.600 0.110 0.000 1.284 432 S CA 1.329 59.591 58.200 0.104 0.000 1.372 432 S CB -1.354 61.905 63.200 0.099 0.000 1.693 432 S HN 0.647 nan 8.310 nan 0.000 0.647 433 S N 1.479 117.237 115.700 0.097 0.000 2.419 433 S HA -0.004 4.466 4.470 -0.000 0.000 0.233 433 S C -0.710 173.871 174.600 -0.031 0.000 1.016 433 S CA 1.266 59.490 58.200 0.040 0.000 0.974 433 S CB -1.360 61.786 63.200 -0.091 0.000 0.786 433 S HN 0.469 nan 8.310 nan 0.000 0.492 434 P HA -0.035 nan 4.420 nan 0.000 0.218 434 P C 1.498 178.799 177.300 0.002 0.000 1.148 434 P CA 1.145 64.182 63.100 -0.104 0.000 0.822 434 P CB -0.004 31.598 31.700 -0.163 0.000 0.784 435 E N -0.725 119.494 120.200 0.031 0.000 2.057 435 E HA 0.012 4.361 4.350 -0.000 0.000 0.190 435 E C 2.159 178.770 176.600 0.017 0.000 0.969 435 E CA 0.761 57.181 56.400 0.034 0.000 0.812 435 E CB -0.787 28.936 29.700 0.038 0.000 0.777 435 E HN 0.289 nan 8.360 nan 0.000 0.455 436 I N 1.096 121.684 120.570 0.029 0.000 2.264 436 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 436 I C 2.500 178.616 176.117 -0.003 0.000 1.111 436 I CA 0.824 62.138 61.300 0.023 0.000 1.382 436 I CB -0.247 37.801 38.000 0.080 0.000 1.060 436 I HN 0.026 nan 8.210 nan 0.000 0.418 437 I N 0.808 121.376 120.570 -0.004 0.000 2.676 437 I HA -0.257 3.913 4.170 -0.000 0.000 0.259 437 I C 2.437 178.536 176.117 -0.030 0.000 1.194 437 I CA 1.246 62.532 61.300 -0.023 0.000 1.473 437 I CB -0.279 37.701 38.000 -0.034 0.000 1.096 437 I HN 0.198 nan 8.210 nan 0.000 0.443 438 Q N 0.106 119.893 119.800 -0.021 0.000 2.084 438 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 438 Q C 2.149 178.132 176.000 -0.028 0.000 0.978 438 Q CA 2.433 58.224 55.803 -0.020 0.000 0.844 438 Q CB -0.431 28.303 28.738 -0.007 0.000 0.898 438 Q HN 0.432 nan 8.270 nan 0.000 0.426 439 S N -1.022 114.657 115.700 -0.035 0.000 2.489 439 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 439 S C 1.639 176.205 174.600 -0.058 0.000 0.995 439 S CA 0.709 58.881 58.200 -0.046 0.000 0.934 439 S CB 0.036 63.203 63.200 -0.055 0.000 0.771 439 S HN 0.267 nan 8.310 nan 0.000 0.522 440 V N 1.653 121.531 119.914 -0.061 0.000 2.548 440 V HA -0.084 4.036 4.120 -0.000 0.000 0.249 440 V C 2.543 178.633 176.094 -0.006 0.000 1.055 440 V CA 1.458 63.728 62.300 -0.050 0.000 1.065 440 V CB -0.927 30.868 31.823 -0.047 0.000 0.681 440 V HN 0.516 nan 8.190 nan 0.000 0.462 441 A N 0.180 122.985 122.820 -0.025 0.000 1.933 441 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 441 A C 2.140 179.713 177.584 -0.019 0.000 1.175 441 A CA 1.762 53.782 52.037 -0.028 0.000 0.628 441 A CB -0.486 18.491 19.000 -0.037 0.000 0.814 441 A HN 0.525 nan 8.150 nan 0.000 0.444 442 I N -0.726 119.834 120.570 -0.018 0.000 2.252 442 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 442 I C 2.491 178.608 176.117 -0.001 0.000 1.102 442 I CA 0.945 62.236 61.300 -0.014 0.000 1.385 442 I CB -0.633 37.355 38.000 -0.019 0.000 1.064 442 I HN 0.380 nan 8.210 nan 0.000 0.414 443 C N 0.808 120.115 119.300 0.012 0.000 2.455 443 C HA -0.143 4.317 4.460 -0.000 0.000 0.281 443 C C 2.737 177.765 174.990 0.063 0.000 1.237 443 C CA 0.450 59.502 59.018 0.056 0.000 1.726 443 C CB -1.020 26.796 27.740 0.126 0.000 2.068 443 C HN 0.438 nan 8.230 nan 0.000 0.466 444 L N 0.979 122.241 121.223 0.066 0.000 2.129 444 L HA -0.204 4.135 4.340 -0.000 0.000 0.212 444 L C 2.546 179.418 176.870 0.004 0.000 1.087 444 L CA 1.843 56.701 54.840 0.029 0.000 0.757 444 L CB -0.806 41.257 42.059 0.006 0.000 0.896 444 L HN 0.463 nan 8.230 nan 0.000 0.434 445 K N 0.451 120.849 120.400 -0.003 0.000 2.217 445 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 445 K C 1.801 178.398 176.600 -0.005 0.000 1.051 445 K CA 1.089 57.369 56.287 -0.011 0.000 0.952 445 K CB -0.002 32.486 32.500 -0.019 0.000 0.736 445 K HN 0.191 nan 8.250 nan 0.000 0.453 446 M N -0.205 119.396 119.600 0.001 0.000 2.563 446 M HA 0.177 4.657 4.480 -0.000 0.000 0.231 446 M C 0.398 176.698 176.300 -0.000 0.000 1.136 446 M CA 0.595 55.896 55.300 0.001 0.000 1.026 446 M CB 0.595 33.197 32.600 0.004 0.000 1.597 446 M HN 0.397 nan 8.290 nan 0.000 0.495 447 G N 1.501 110.300 108.800 -0.002 0.000 2.256 447 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.272 447 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.272 447 G C 0.072 174.957 174.900 -0.025 0.000 1.076 447 G CA 0.036 45.129 45.100 -0.011 0.000 0.882 447 G HN 0.700 nan 8.290 nan 0.000 0.497 448 A N -0.459 122.353 122.820 -0.013 0.000 2.498 448 A HA 0.618 4.938 4.320 -0.000 0.000 0.239 448 A C 0.736 178.228 177.584 -0.155 0.000 1.068 448 A CA 0.692 52.712 52.037 -0.029 0.000 0.766 448 A CB 0.457 19.521 19.000 0.107 0.000 1.003 448 A HN 0.553 nan 8.150 nan 0.000 0.497 449 K N 0.959 121.246 120.400 -0.188 0.000 2.185 449 K HA 0.383 4.703 4.320 -0.000 0.000 0.240 449 K C 0.891 177.236 176.600 -0.424 0.000 0.983 449 K CA -0.732 55.401 56.287 -0.256 0.000 0.873 449 K CB 1.470 33.867 32.500 -0.172 0.000 1.118 449 K HN 0.576 nan 8.250 nan 0.000 0.441 450 I N 1.402 121.705 120.570 -0.445 0.000 2.567 450 I HA -0.261 3.909 4.170 -0.000 0.000 0.257 450 I C 1.778 177.546 176.117 -0.582 0.000 1.184 450 I CA 1.650 62.619 61.300 -0.551 0.000 1.451 450 I CB -0.102 37.642 38.000 -0.427 0.000 1.089 450 I HN 0.698 nan 8.210 nan 0.000 0.441 451 S N -0.755 114.575 115.700 -0.617 0.000 2.395 451 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 451 S C 1.796 176.005 174.600 -0.652 0.000 1.027 451 S CA 0.894 58.440 58.200 -1.091 0.000 0.965 451 S CB -0.630 62.256 63.200 -0.523 0.000 0.812 451 S HN 0.441 nan 8.310 nan 0.000 0.482 452 D N 1.110 121.326 120.400 -0.307 0.000 2.158 452 D HA -0.053 4.587 4.640 -0.000 0.000 0.197 452 D C 1.439 177.767 176.300 0.048 0.000 0.995 452 D CA 0.990 54.935 54.000 -0.091 0.000 0.846 452 D CB -0.343 40.460 40.800 0.005 0.000 0.941 452 D HN 0.354 nan 8.370 nan 0.000 0.456 453 F N 0.775 120.571 119.950 -0.257 0.000 2.022 453 F HA -0.144 4.382 4.527 -0.000 0.000 0.293 453 F C 2.389 178.127 175.800 -0.103 0.000 1.142 453 F CA 0.652 58.559 58.000 -0.155 0.000 1.177 453 F CB -1.632 37.291 39.000 -0.127 0.000 0.982 453 F HN 0.067 nan 8.300 nan 0.000 0.473 454 Y N -0.629 119.766 120.300 0.159 0.000 2.639 454 Y HA 0.001 4.551 4.550 -0.000 0.000 0.297 454 Y C 1.388 177.309 175.900 0.035 0.000 1.151 454 Y CA 0.565 58.703 58.100 0.064 0.000 1.335 454 Y CB -1.716 36.763 38.460 0.033 0.000 0.994 454 Y HN 0.002 nan 8.280 nan 0.000 0.548 455 N N -0.098 118.603 118.700 0.002 0.000 2.353 455 N HA 0.016 4.756 4.740 -0.000 0.000 0.185 455 N C -0.336 175.191 175.510 0.028 0.000 1.098 455 N CA 0.563 53.636 53.050 0.039 0.000 0.872 455 N CB -0.008 38.445 38.487 -0.056 0.000 0.970 455 N HN 0.270 nan 8.380 nan 0.000 0.467 456 T N 1.275 115.840 114.554 0.018 0.000 2.832 456 T HA 0.329 4.679 4.350 -0.000 0.000 0.296 456 T C 0.850 175.551 174.700 0.002 0.000 0.968 456 T CA -0.372 61.726 62.100 -0.004 0.000 1.107 456 T CB 1.243 70.092 68.868 -0.032 0.000 0.916 456 T HN -0.029 nan 8.240 nan 0.000 0.517 457 I N 2.508 123.075 120.570 -0.006 0.000 2.588 457 I HA 0.260 4.430 4.170 -0.000 0.000 0.283 457 I C 1.417 177.522 176.117 -0.019 0.000 1.119 457 I CA -0.046 61.248 61.300 -0.009 0.000 1.419 457 I CB 0.482 38.475 38.000 -0.011 0.000 1.394 457 I HN 0.682 nan 8.210 nan 0.000 0.562 458 G N 5.303 114.090 108.800 -0.023 0.000 2.503 458 G HA2 0.430 4.390 3.960 -0.000 0.000 0.257 458 G HA3 0.430 4.390 3.960 -0.000 0.000 0.257 458 G C -0.517 174.381 174.900 -0.004 0.000 1.214 458 G CA -0.409 44.677 45.100 -0.022 0.000 0.839 458 G HN 0.393 nan 8.290 nan 0.000 0.559 459 V N 1.718 121.634 119.914 0.004 0.000 2.394 459 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 459 V C -0.281 175.858 176.094 0.075 0.000 1.031 459 V CA -0.558 61.755 62.300 0.021 0.000 0.881 459 V CB 1.063 32.882 31.823 -0.007 0.000 0.982 459 V HN 0.899 nan 8.190 nan 0.000 0.451 460 H N 5.434 124.475 119.070 -0.048 0.000 2.806 460 H HA 0.739 5.295 4.556 -0.000 0.000 0.367 460 H C -2.637 172.667 175.328 -0.040 0.000 1.136 460 H CA -1.516 54.501 56.048 -0.050 0.000 1.178 460 H CB 2.435 32.169 29.762 -0.046 0.000 1.718 460 H HN 0.573 nan 8.280 nan 0.000 0.540 461 P HA 0.314 nan 4.420 nan 0.000 0.301 461 P C -1.238 175.942 177.300 -0.201 0.000 1.348 461 P CA -0.562 62.230 63.100 -0.514 0.000 0.826 461 P CB 1.576 32.864 31.700 -0.687 0.000 0.945 462 T N -1.942 112.543 114.554 -0.115 0.000 2.865 462 T HA 0.360 4.710 4.350 -0.000 0.000 0.294 462 T C 0.818 175.442 174.700 -0.126 0.000 1.119 462 T CA -0.504 61.534 62.100 -0.104 0.000 1.007 462 T CB 1.293 70.115 68.868 -0.077 0.000 1.225 462 T HN 0.054 nan 8.240 nan 0.000 0.515 463 S N -0.209 115.372 115.700 -0.199 0.000 2.406 463 S HA 0.147 4.616 4.470 -0.000 0.000 0.224 463 S C 2.400 176.787 174.600 -0.355 0.000 1.030 463 S CA 0.820 58.772 58.200 -0.413 0.000 0.958 463 S CB -0.802 61.887 63.200 -0.851 0.000 0.811 463 S HN 0.880 nan 8.310 nan 0.000 0.489 464 A N 2.153 124.863 122.820 -0.182 0.000 1.978 464 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 464 A C 1.814 179.365 177.584 -0.055 0.000 1.170 464 A CA 1.730 53.733 52.037 -0.057 0.000 0.636 464 A CB -0.732 18.247 19.000 -0.035 0.000 0.810 464 A HN 0.773 nan 8.150 nan 0.000 0.448 465 E N -0.212 119.945 120.200 -0.071 0.000 2.455 465 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 465 E C 1.436 178.000 176.600 -0.061 0.000 1.045 465 E CA 1.278 57.645 56.400 -0.055 0.000 0.872 465 E CB -0.192 29.493 29.700 -0.026 0.000 0.792 465 E HN 0.590 nan 8.360 nan 0.000 0.542 466 E N 1.237 121.397 120.200 -0.068 0.000 2.150 466 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 466 E C 1.877 178.500 176.600 0.038 0.000 0.985 466 E CA 0.743 57.114 56.400 -0.047 0.000 0.814 466 E CB -0.197 29.514 29.700 0.017 0.000 0.752 466 E HN 0.421 nan 8.360 nan 0.000 0.466 467 L N -0.477 120.774 121.223 0.046 0.000 2.127 467 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 467 L C 1.750 178.670 176.870 0.084 0.000 1.089 467 L CA 0.990 55.863 54.840 0.054 0.000 0.757 467 L CB -0.283 41.717 42.059 -0.098 0.000 0.899 467 L HN 0.273 nan 8.230 nan 0.000 0.434 468 C N -1.183 118.136 119.300 0.032 0.000 2.524 468 C HA 0.139 4.599 4.460 -0.000 0.000 0.301 468 C C 1.829 176.878 174.990 0.099 0.000 1.296 468 C CA -0.062 59.002 59.018 0.077 0.000 1.683 468 C CB -1.219 26.532 27.740 0.018 0.000 1.764 468 C HN 0.350 nan 8.230 nan 0.000 0.597 469 S N -0.110 115.637 115.700 0.077 0.000 2.780 469 S HA 0.298 4.768 4.470 -0.000 0.000 0.248 469 S C 0.246 174.873 174.600 0.044 0.000 1.036 469 S CA -0.152 58.070 58.200 0.036 0.000 1.061 469 S CB 0.009 63.196 63.200 -0.022 0.000 1.037 469 S HN 0.553 nan 8.310 nan 0.000 0.584 470 M N 2.204 121.860 119.600 0.093 0.000 2.289 470 M HA 0.366 4.846 4.480 -0.000 0.000 0.354 470 M C 0.740 177.086 176.300 0.076 0.000 1.210 470 M CA -0.116 55.243 55.300 0.098 0.000 1.174 470 M CB 0.602 33.266 32.600 0.107 0.000 1.297 470 M HN 0.051 nan 8.290 nan 0.000 0.423 471 R N -0.382 120.122 120.500 0.006 0.000 2.282 471 R HA 0.184 4.524 4.340 -0.000 0.000 0.195 471 R C -0.143 176.246 176.300 0.148 0.000 0.909 471 R CA 0.374 56.375 56.100 -0.165 0.000 1.039 471 R CB 0.421 30.385 30.300 -0.559 0.000 1.015 471 R HN 0.376 nan 8.270 nan 0.000 0.513 472 T N 3.140 117.818 114.554 0.207 0.000 2.791 472 T HA 0.340 4.690 4.350 -0.000 0.000 0.288 472 T C -2.561 172.069 174.700 -0.117 0.000 0.999 472 T CA -1.726 60.433 62.100 0.098 0.000 0.952 472 T CB 2.178 71.059 68.868 0.022 0.000 0.938 472 T HN -0.145 nan 8.240 nan 0.000 0.444 473 P HA 0.302 nan 4.420 nan 0.000 0.270 473 P C 0.226 177.149 177.300 -0.627 0.000 1.223 473 P CA -0.329 62.007 63.100 -1.273 0.000 0.785 473 P CB 0.586 31.438 31.700 -1.412 0.000 0.923 474 A N 1.368 123.845 122.820 -0.572 0.000 2.085 474 A HA 0.271 4.591 4.320 -0.000 0.000 0.208 474 A C -0.003 177.510 177.584 -0.118 0.000 1.191 474 A CA 1.058 52.969 52.037 -0.209 0.000 0.799 474 A CB -0.447 18.540 19.000 -0.021 0.000 0.877 474 A HN 0.677 nan 8.150 nan 0.000 0.473 475 Y N -5.021 114.960 120.300 -0.532 0.000 2.741 475 Y HA 0.672 5.222 4.550 -0.000 0.000 0.339 475 Y C -1.168 174.295 175.900 -0.729 0.000 1.226 475 Y CA -2.506 55.328 58.100 -0.443 0.000 1.072 475 Y CB 0.178 38.518 38.460 -0.200 0.000 1.331 475 Y HN -0.074 nan 8.280 nan 0.000 0.453 476 F N -0.399 119.531 119.950 -0.032 0.000 2.782 476 F HA 0.772 5.299 4.527 -0.000 0.000 0.366 476 F C -1.301 174.489 175.800 -0.016 0.000 1.171 476 F CA -1.782 56.182 58.000 -0.059 0.000 1.064 476 F CB 1.195 40.127 39.000 -0.114 0.000 1.449 476 F HN 0.438 nan 8.300 nan 0.000 0.520 477 Y N 0.036 120.489 120.300 0.255 0.000 2.361 477 Y HA 0.363 4.913 4.550 -0.000 0.000 0.328 477 Y C -0.858 175.132 175.900 0.148 0.000 1.044 477 Y CA -0.944 57.261 58.100 0.175 0.000 1.085 477 Y CB 1.887 40.425 38.460 0.129 0.000 1.194 477 Y HN 0.388 nan 8.280 nan 0.000 0.438 478 E N 4.032 124.358 120.200 0.211 0.000 2.145 478 E HA 0.266 4.616 4.350 -0.000 0.000 0.262 478 E C -0.689 175.985 176.600 0.124 0.000 0.883 478 E CA -0.751 55.732 56.400 0.138 0.000 0.748 478 E CB 1.072 30.808 29.700 0.060 0.000 1.140 478 E HN 0.444 nan 8.360 nan 0.000 0.417 479 K N 1.886 122.358 120.400 0.120 0.000 3.689 479 K HA -0.264 4.056 4.320 -0.000 0.000 0.276 479 K C 0.626 177.290 176.600 0.106 0.000 0.932 479 K CA 0.806 57.147 56.287 0.090 0.000 0.758 479 K CB -1.453 31.082 32.500 0.059 0.000 1.500 479 K HN 1.139 nan 8.250 nan 0.000 0.448 480 G N -0.076 108.815 108.800 0.152 0.000 2.228 480 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.270 480 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.270 480 G C 0.032 175.077 174.900 0.242 0.000 0.976 480 G CA 1.140 46.349 45.100 0.182 0.000 0.636 480 G HN 0.416 nan 8.290 nan 0.000 0.542 481 K N 0.624 121.135 120.400 0.185 0.000 2.265 481 K HA 0.401 4.721 4.320 -0.000 0.000 0.267 481 K C 0.565 177.178 176.600 0.022 0.000 0.994 481 K CA -0.834 55.518 56.287 0.107 0.000 0.860 481 K CB 1.394 33.926 32.500 0.054 0.000 1.099 481 K HN 0.258 nan 8.250 nan 0.000 0.448 482 R N 2.696 123.094 120.500 -0.170 0.000 2.537 482 R HA 0.138 4.478 4.340 -0.000 0.000 0.280 482 R C -0.452 175.743 176.300 -0.175 0.000 1.058 482 R CA -0.063 55.751 56.100 -0.476 0.000 1.057 482 R CB 0.383 30.282 30.300 -0.668 0.000 0.973 482 R HN 0.470 nan 8.270 nan 0.000 0.438 483 V N 0.745 120.615 119.914 -0.073 0.000 3.049 483 V HA 0.315 4.435 4.120 -0.000 0.000 0.309 483 V C 0.139 176.294 176.094 0.101 0.000 1.148 483 V CA -0.911 61.392 62.300 0.006 0.000 0.990 483 V CB 1.999 33.831 31.823 0.015 0.000 1.039 483 V HN 0.753 nan 8.190 nan 0.000 0.430 484 E N 1.135 121.379 120.200 0.074 0.000 2.285 484 E HA 0.148 4.498 4.350 -0.000 0.000 0.194 484 E C 0.356 177.090 176.600 0.223 0.000 0.997 484 E CA 1.051 57.527 56.400 0.126 0.000 0.845 484 E CB 0.202 29.931 29.700 0.048 0.000 0.782 484 E HN 0.814 nan 8.360 nan 0.000 0.491 485 K N -0.944 119.524 120.400 0.114 0.000 2.562 485 K HA 0.279 4.599 4.320 -0.000 0.000 0.267 485 K C -0.928 175.496 176.600 -0.294 0.000 0.938 485 K CA -0.753 55.503 56.287 -0.051 0.000 0.840 485 K CB 0.916 33.404 32.500 -0.021 0.000 1.390 485 K HN -0.251 nan 8.250 nan 0.000 0.428 486 I N 2.771 122.933 120.570 -0.679 0.000 2.618 486 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 486 I C -0.214 175.762 176.117 -0.236 0.000 1.146 486 I CA 0.515 61.512 61.300 -0.505 0.000 1.425 486 I CB 0.238 37.874 38.000 -0.607 0.000 1.383 486 I HN 0.735 nan 8.210 nan 0.000 0.562 487 D N 0.000 120.314 120.400 -0.144 0.000 6.856 487 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 487 D CA 0.000 53.950 54.000 -0.083 0.000 0.868 487 D CB 0.000 40.764 40.800 -0.059 0.000 0.688 487 D HN 0.000 nan 8.370 nan 0.000 0.683