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 1xy3_1_A DATA FIRST_RESID 2 DATA SEQUENCE AVKAARYGKD NVRVYKVHKD EKTGVQTVYE MTVCVLLEGE IETSYTKADN DATA SEQUENCE SVIVATDSIK NTIYITAKQN PVTPPELFGS ILGTHFIEKY NHIHAAHVNI DATA SEQUENCE VCHRWTRMDI DGKPHPHSFI RDSEEKRNVQ VDVVEGKGID IKSSLSGLTV DATA SEQUENCE LKSTNSQFWG FLRDEYTTLK ETWDRILSTD VDATWQWKNF SGLQEVRSHV DATA SEQUENCE PKFDATWATA REVTLKTFAE DNSASVQATM YKMAEQILAR QQLIETVEYS DATA SEQUENCE LPNKHYFEID LSWHKGLQNT GKNAEVFAPQ SDPNGLIKCT VGRS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.559 177.584 -0.041 0.000 1.274 2 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 V N 3.920 123.797 119.914 -0.061 0.000 2.421 3 V HA 0.079 4.198 4.120 -0.001 0.000 0.271 3 V C 1.274 177.314 176.094 -0.089 0.000 1.031 3 V CA 0.565 62.798 62.300 -0.112 0.000 1.032 3 V CB 0.304 32.018 31.823 -0.183 0.000 1.009 3 V HN 0.944 nan 8.190 nan 0.000 0.477 4 K N 3.483 123.834 120.400 -0.080 0.000 2.186 4 K HA 0.380 4.700 4.320 -0.001 0.000 0.202 4 K C 0.616 177.180 176.600 -0.060 0.000 1.052 4 K CA 1.061 57.314 56.287 -0.056 0.000 0.965 4 K CB 0.409 32.883 32.500 -0.043 0.000 0.746 4 K HN 0.743 nan 8.250 nan 0.000 0.457 5 A N 0.557 123.325 122.820 -0.088 0.000 2.566 5 A HA 0.707 5.027 4.320 -0.001 0.000 0.297 5 A C -1.821 175.685 177.584 -0.131 0.000 1.059 5 A CA -0.608 51.383 52.037 -0.077 0.000 0.691 5 A CB 1.793 20.768 19.000 -0.043 0.000 1.282 5 A HN 0.078 nan 8.150 nan 0.000 0.401 6 A N 1.561 124.318 122.820 -0.105 0.000 2.488 6 A HA 0.907 5.227 4.320 -0.001 0.000 0.298 6 A C -0.563 177.053 177.584 0.054 0.000 1.044 6 A CA -0.476 51.490 52.037 -0.117 0.000 0.693 6 A CB 1.434 20.198 19.000 -0.392 0.000 1.272 6 A HN 0.936 nan 8.150 nan 0.000 0.402 7 R N -0.236 120.345 120.500 0.135 0.000 2.817 7 R HA 0.819 5.159 4.340 -0.001 0.000 0.268 7 R C -1.776 174.694 176.300 0.282 0.000 1.027 7 R CA -0.620 55.578 56.100 0.164 0.000 0.928 7 R CB 2.340 32.703 30.300 0.105 0.000 1.228 7 R HN 1.199 nan 8.270 nan 0.000 0.469 8 Y N -1.889 118.408 120.300 -0.005 0.000 2.643 8 Y HA 0.590 5.140 4.550 -0.000 0.000 0.347 8 Y C -0.950 174.887 175.900 -0.104 0.000 1.208 8 Y CA -0.319 57.763 58.100 -0.029 0.000 1.245 8 Y CB 0.674 39.130 38.460 -0.007 0.000 1.369 8 Y HN 0.808 nan 8.280 nan 0.000 0.487 9 G N 2.352 110.978 108.800 -0.289 0.000 2.393 9 G HA2 0.440 4.400 3.960 -0.001 0.000 0.264 9 G HA3 0.440 4.400 3.960 -0.001 0.000 0.264 9 G C -2.187 172.612 174.900 -0.168 0.000 1.221 9 G CA -1.059 43.792 45.100 -0.416 0.000 0.912 9 G HN 0.581 nan 8.290 nan 0.000 0.483 10 K N 0.298 120.592 120.400 -0.176 0.000 2.207 10 K HA 0.682 5.002 4.320 -0.001 0.000 0.255 10 K C -1.520 175.032 176.600 -0.080 0.000 0.941 10 K CA -0.672 55.555 56.287 -0.100 0.000 0.825 10 K CB 1.856 34.293 32.500 -0.105 0.000 1.119 10 K HN 0.575 nan 8.250 nan 0.000 0.430 11 D N 1.286 121.660 120.400 -0.044 0.000 2.490 11 D HA 0.415 5.055 4.640 -0.001 0.000 0.232 11 D C -0.777 175.520 176.300 -0.006 0.000 1.053 11 D CA -0.004 53.980 54.000 -0.027 0.000 0.914 11 D CB 0.812 41.600 40.800 -0.019 0.000 1.431 11 D HN 0.612 nan 8.370 nan 0.000 0.483 12 N N 0.771 119.477 118.700 0.009 0.000 2.740 12 N HA -0.127 4.613 4.740 -0.001 0.000 0.248 12 N C -0.879 174.658 175.510 0.046 0.000 1.062 12 N CA 0.441 53.510 53.050 0.033 0.000 0.704 12 N CB -1.232 37.273 38.487 0.029 0.000 0.968 12 N HN 0.181 nan 8.380 nan 0.000 0.547 13 V N 1.574 121.513 119.914 0.041 0.000 2.372 13 V HA 0.126 4.245 4.120 -0.001 0.000 0.261 13 V C 1.136 177.308 176.094 0.130 0.000 1.055 13 V CA -0.288 62.046 62.300 0.057 0.000 0.930 13 V CB 0.562 32.373 31.823 -0.019 0.000 1.031 13 V HN 0.089 nan 8.190 nan 0.000 0.479 14 R N 3.863 124.462 120.500 0.166 0.000 2.298 14 R HA 0.605 4.945 4.340 -0.001 0.000 0.310 14 R C -0.906 175.555 176.300 0.268 0.000 1.068 14 R CA -0.380 55.838 56.100 0.196 0.000 0.957 14 R CB 1.101 31.490 30.300 0.148 0.000 1.003 14 R HN 0.497 nan 8.270 nan 0.000 0.454 15 V N 3.277 123.352 119.914 0.268 0.000 2.735 15 V HA 0.383 4.503 4.120 -0.001 0.000 0.310 15 V C -1.193 175.065 176.094 0.274 0.000 1.061 15 V CA -1.076 61.393 62.300 0.281 0.000 0.913 15 V CB 1.713 33.702 31.823 0.276 0.000 1.005 15 V HN 0.718 nan 8.190 nan 0.000 0.428 16 Y N 2.990 123.338 120.300 0.080 0.000 2.421 16 Y HA 0.737 5.287 4.550 -0.000 0.000 0.339 16 Y C -0.761 175.148 175.900 0.015 0.000 0.996 16 Y CA -0.890 57.247 58.100 0.061 0.000 1.046 16 Y CB 1.824 40.302 38.460 0.031 0.000 1.226 16 Y HN 0.683 nan 8.280 nan 0.000 0.445 17 K N 5.486 125.623 120.400 -0.439 0.000 2.427 17 K HA 0.712 5.032 4.320 -0.001 0.000 0.252 17 K C -2.254 174.056 176.600 -0.484 0.000 0.931 17 K CA -0.972 55.115 56.287 -0.334 0.000 0.793 17 K CB 2.313 34.720 32.500 -0.156 0.000 1.211 17 K HN 0.602 nan 8.250 nan 0.000 0.426 18 V N 4.498 124.236 119.914 -0.294 0.000 2.459 18 V HA 0.363 4.483 4.120 -0.001 0.000 0.295 18 V C -1.134 174.962 176.094 0.004 0.000 1.029 18 V CA -0.434 61.751 62.300 -0.191 0.000 0.874 18 V CB 1.428 33.190 31.823 -0.102 0.000 0.985 18 V HN 0.875 nan 8.190 nan 0.000 0.438 19 H N 6.952 126.015 119.070 -0.013 0.000 2.511 19 H HA 0.488 5.043 4.556 -0.001 0.000 0.328 19 H C -1.001 174.346 175.328 0.032 0.000 1.044 19 H CA -0.778 55.291 56.048 0.035 0.000 1.212 19 H CB 1.371 31.203 29.762 0.116 0.000 1.428 19 H HN 0.660 nan 8.280 nan 0.000 0.483 20 K N 4.445 124.492 120.400 -0.587 0.000 2.265 20 K HA 0.100 4.420 4.320 -0.001 0.000 0.267 20 K C -0.428 175.845 176.600 -0.545 0.000 0.994 20 K CA -0.869 55.177 56.287 -0.400 0.000 0.860 20 K CB 1.720 34.106 32.500 -0.189 0.000 1.099 20 K HN 0.539 nan 8.250 nan 0.000 0.448 21 D N 3.871 124.098 120.400 -0.289 0.000 2.339 21 D HA -0.040 4.600 4.640 -0.001 0.000 0.256 21 D C 0.807 177.071 176.300 -0.060 0.000 1.214 21 D CA 0.104 54.048 54.000 -0.093 0.000 0.877 21 D CB 0.950 41.789 40.800 0.066 0.000 1.111 21 D HN 0.625 nan 8.370 nan 0.000 0.478 22 E N 2.861 123.034 120.200 -0.044 0.000 2.418 22 E HA -0.149 4.201 4.350 -0.001 0.000 0.197 22 E C 0.793 177.388 176.600 -0.008 0.000 1.026 22 E CA 0.662 57.045 56.400 -0.028 0.000 0.862 22 E CB 0.262 29.949 29.700 -0.022 0.000 0.799 22 E HN 0.318 nan 8.360 nan 0.000 0.518 23 K N 0.838 121.241 120.400 0.006 0.000 2.108 23 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 23 K C 2.425 179.029 176.600 0.006 0.000 1.036 23 K CA 1.679 57.971 56.287 0.009 0.000 0.965 23 K CB -0.166 32.344 32.500 0.017 0.000 0.804 23 K HN 0.199 nan 8.250 nan 0.000 0.454 24 T N -2.634 111.927 114.554 0.012 0.000 3.043 24 T HA 0.139 4.489 4.350 -0.001 0.000 0.263 24 T C 1.583 176.284 174.700 0.003 0.000 1.094 24 T CA 0.754 62.859 62.100 0.008 0.000 1.127 24 T CB 0.131 69.009 68.868 0.016 0.000 0.905 24 T HN 0.362 nan 8.240 nan 0.000 0.490 25 G N 0.726 109.527 108.800 0.003 0.000 2.176 25 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.253 25 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.253 25 G C 0.087 175.004 174.900 0.028 0.000 0.979 25 G CA 0.007 45.111 45.100 0.006 0.000 0.641 25 G HN 0.766 nan 8.290 nan 0.000 0.530 26 V N 1.747 121.680 119.914 0.031 0.000 2.572 26 V HA 0.365 4.485 4.120 -0.001 0.000 0.291 26 V C 0.645 176.795 176.094 0.093 0.000 1.039 26 V CA 0.220 62.556 62.300 0.059 0.000 1.055 26 V CB 1.360 33.215 31.823 0.053 0.000 0.969 26 V HN 0.467 nan 8.190 nan 0.000 0.482 27 Q N 2.765 122.659 119.800 0.156 0.000 2.282 27 Q HA 0.545 4.884 4.340 -0.001 0.000 0.260 27 Q C -0.698 175.479 176.000 0.295 0.000 0.964 27 Q CA -0.526 55.384 55.803 0.178 0.000 0.880 27 Q CB 2.102 30.951 28.738 0.185 0.000 1.286 27 Q HN 0.728 nan 8.270 nan 0.000 0.445 28 T N 1.442 116.097 114.554 0.170 0.000 2.824 28 T HA 0.454 4.804 4.350 -0.001 0.000 0.282 28 T C -0.387 174.086 174.700 -0.378 0.000 0.993 28 T CA -0.684 61.414 62.100 -0.003 0.000 0.967 28 T CB 1.362 70.234 68.868 0.006 0.000 0.960 28 T HN 0.480 nan 8.240 nan 0.000 0.441 29 V N 1.841 121.265 119.914 -0.815 0.000 2.667 29 V HA 0.824 4.943 4.120 -0.001 0.000 0.308 29 V C -1.805 173.735 176.094 -0.924 0.000 1.048 29 V CA -0.840 60.923 62.300 -0.894 0.000 0.928 29 V CB 1.194 32.407 31.823 -1.017 0.000 1.004 29 V HN 0.809 nan 8.190 nan 0.000 0.444 30 Y N 2.025 122.092 120.300 -0.389 0.000 2.406 30 Y HA 0.753 5.303 4.550 -0.001 0.000 0.340 30 Y C -0.031 175.814 175.900 -0.091 0.000 0.975 30 Y CA -0.512 57.483 58.100 -0.174 0.000 1.056 30 Y CB 2.078 40.418 38.460 -0.200 0.000 1.210 30 Y HN 0.916 nan 8.280 nan 0.000 0.448 31 E N 5.153 125.516 120.200 0.271 0.000 2.314 31 E HA 0.793 5.143 4.350 -0.001 0.000 0.272 31 E C -1.255 175.523 176.600 0.296 0.000 0.884 31 E CA -0.893 55.714 56.400 0.346 0.000 0.753 31 E CB 1.672 31.724 29.700 0.587 0.000 1.213 31 E HN 0.696 nan 8.360 nan 0.000 0.432 32 M N 0.822 120.597 119.600 0.291 0.000 2.643 32 M HA 0.434 4.913 4.480 -0.001 0.000 0.276 32 M C -1.689 174.756 176.300 0.240 0.000 1.200 32 M CA -0.755 54.669 55.300 0.206 0.000 0.863 32 M CB 1.935 34.577 32.600 0.070 0.000 1.711 32 M HN 0.312 nan 8.290 nan 0.000 0.492 33 T N 2.191 116.859 114.554 0.191 0.000 2.758 33 T HA 0.644 4.993 4.350 -0.001 0.000 0.285 33 T C -0.275 174.480 174.700 0.091 0.000 0.981 33 T CA -0.473 61.733 62.100 0.176 0.000 0.965 33 T CB 1.404 70.396 68.868 0.206 0.000 0.927 33 T HN 0.486 nan 8.240 nan 0.000 0.448 34 V N 2.136 122.104 119.914 0.089 0.000 2.630 34 V HA 0.678 4.798 4.120 -0.001 0.000 0.305 34 V C 0.110 176.208 176.094 0.007 0.000 1.046 34 V CA -0.928 61.401 62.300 0.049 0.000 0.934 34 V CB 1.705 33.573 31.823 0.074 0.000 1.003 34 V HN 1.072 nan 8.190 nan 0.000 0.451 35 C N 4.005 123.291 119.300 -0.022 0.000 2.535 35 C HA 0.852 5.312 4.460 -0.001 0.000 0.319 35 C C -0.882 174.063 174.990 -0.076 0.000 1.171 35 C CA -0.138 58.852 59.018 -0.046 0.000 1.394 35 C CB 0.811 28.528 27.740 -0.037 0.000 1.990 35 C HN 0.751 nan 8.230 nan 0.000 0.466 36 V N 7.097 126.938 119.914 -0.121 0.000 2.525 36 V HA 0.497 4.617 4.120 -0.001 0.000 0.299 36 V C -0.576 175.352 176.094 -0.277 0.000 1.034 36 V CA -0.346 61.839 62.300 -0.192 0.000 0.863 36 V CB 1.589 33.272 31.823 -0.233 0.000 0.999 36 V HN 0.814 nan 8.190 nan 0.000 0.423 37 L N 5.835 126.913 121.223 -0.241 0.000 2.333 37 L HA 0.628 4.967 4.340 -0.001 0.000 0.280 37 L C -0.732 175.909 176.870 -0.381 0.000 1.004 37 L CA -0.505 54.178 54.840 -0.263 0.000 0.820 37 L CB 1.965 43.992 42.059 -0.053 0.000 1.247 37 L HN 0.432 nan 8.230 nan 0.000 0.416 38 L N 2.789 123.687 121.223 -0.541 0.000 2.334 38 L HA 0.584 4.924 4.340 -0.001 0.000 0.275 38 L C -0.154 176.561 176.870 -0.258 0.000 1.036 38 L CA -0.617 53.914 54.840 -0.515 0.000 0.807 38 L CB 1.896 43.530 42.059 -0.708 0.000 1.231 38 L HN 0.597 nan 8.230 nan 0.000 0.438 39 E N 0.208 120.277 120.200 -0.217 0.000 2.392 39 E HA 0.777 5.127 4.350 -0.001 0.000 0.269 39 E C -0.504 176.045 176.600 -0.084 0.000 0.924 39 E CA -0.573 55.782 56.400 -0.074 0.000 0.784 39 E CB 2.931 32.602 29.700 -0.049 0.000 1.292 39 E HN 0.790 nan 8.360 nan 0.000 0.447 40 G N 0.743 109.541 108.800 -0.002 0.000 2.302 40 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.264 40 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.264 40 G C -1.408 173.536 174.900 0.074 0.000 1.335 40 G CA -0.973 44.119 45.100 -0.014 0.000 0.982 40 G HN 0.472 nan 8.290 nan 0.000 0.473 41 E N 1.122 121.371 120.200 0.081 0.000 1.775 41 E HA 0.335 4.685 4.350 -0.001 0.000 0.266 41 E C 0.925 177.632 176.600 0.179 0.000 1.191 41 E CA 0.323 56.817 56.400 0.157 0.000 1.048 41 E CB -0.284 29.538 29.700 0.204 0.000 1.081 41 E HN 0.596 nan 8.360 nan 0.000 0.434 42 I N -2.101 118.560 120.570 0.152 0.000 4.160 42 I HA 0.204 4.374 4.170 -0.001 0.000 0.325 42 I C 0.754 176.987 176.117 0.193 0.000 1.455 42 I CA -0.356 61.046 61.300 0.170 0.000 1.142 42 I CB 0.487 38.593 38.000 0.176 0.000 1.262 42 I HN -0.045 nan 8.210 nan 0.000 0.483 43 E N 2.202 122.485 120.200 0.138 0.000 2.097 43 E HA -0.217 4.133 4.350 -0.001 0.000 0.196 43 E C 2.277 178.978 176.600 0.169 0.000 1.000 43 E CA 2.798 59.269 56.400 0.119 0.000 0.804 43 E CB -0.488 29.238 29.700 0.043 0.000 0.740 43 E HN 0.728 nan 8.360 nan 0.000 0.454 44 T N -1.435 113.184 114.554 0.109 0.000 2.897 44 T HA -0.190 4.160 4.350 -0.001 0.000 0.271 44 T C 1.917 176.650 174.700 0.056 0.000 1.084 44 T CA 1.380 63.523 62.100 0.072 0.000 1.123 44 T CB -0.523 68.367 68.868 0.038 0.000 0.865 44 T HN 0.221 nan 8.240 nan 0.000 0.496 45 S N -0.027 115.705 115.700 0.052 0.000 2.453 45 S HA -0.024 4.446 4.470 -0.001 0.000 0.231 45 S C 1.636 176.152 174.600 -0.139 0.000 1.005 45 S CA 0.259 58.406 58.200 -0.088 0.000 0.949 45 S CB -0.727 62.345 63.200 -0.214 0.000 0.774 45 S HN 0.659 nan 8.310 nan 0.000 0.510 46 Y N 2.413 122.681 120.300 -0.053 0.000 2.301 46 Y HA 0.092 4.642 4.550 -0.001 0.000 0.295 46 Y C 3.285 179.167 175.900 -0.029 0.000 1.126 46 Y CA 1.119 59.193 58.100 -0.043 0.000 1.154 46 Y CB -0.912 37.528 38.460 -0.034 0.000 1.075 46 Y HN 0.484 nan 8.280 nan 0.000 0.534 47 T N -1.674 112.973 114.554 0.154 0.000 2.851 47 T HA -0.045 4.305 4.350 -0.001 0.000 0.262 47 T C 1.311 176.034 174.700 0.039 0.000 1.043 47 T CA 0.978 63.123 62.100 0.076 0.000 1.140 47 T CB -0.093 68.809 68.868 0.056 0.000 0.872 47 T HN 0.095 nan 8.240 nan 0.000 0.446 48 K N 1.186 121.603 120.400 0.029 0.000 2.387 48 K HA 0.610 4.930 4.320 -0.001 0.000 0.203 48 K C 0.968 177.560 176.600 -0.012 0.000 1.030 48 K CA 0.335 56.626 56.287 0.007 0.000 1.099 48 K CB 0.644 33.148 32.500 0.007 0.000 0.863 48 K HN 0.472 nan 8.250 nan 0.000 0.529 49 A N 2.690 125.495 122.820 -0.026 0.000 2.783 49 A HA -0.206 4.113 4.320 -0.001 0.000 0.292 49 A C -0.156 177.393 177.584 -0.059 0.000 1.495 49 A CA 1.210 53.212 52.037 -0.058 0.000 0.787 49 A CB -2.098 16.873 19.000 -0.048 0.000 1.017 49 A HN 0.507 nan 8.150 nan 0.000 0.516 50 D N -0.146 120.223 120.400 -0.051 0.000 2.411 50 D HA 0.418 5.057 4.640 -0.001 0.000 0.225 50 D C 0.919 177.178 176.300 -0.069 0.000 1.156 50 D CA -0.349 53.623 54.000 -0.046 0.000 0.874 50 D CB 0.223 41.008 40.800 -0.026 0.000 1.034 50 D HN 0.227 nan 8.370 nan 0.000 0.502 51 N N 1.690 120.347 118.700 -0.072 0.000 2.467 51 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 51 N C 1.615 177.089 175.510 -0.061 0.000 1.106 51 N CA 0.331 53.331 53.050 -0.084 0.000 0.892 51 N CB 0.150 38.590 38.487 -0.078 0.000 0.969 51 N HN 0.524 nan 8.380 nan 0.000 0.454 52 S N 0.151 115.820 115.700 -0.051 0.000 2.419 52 S HA -0.106 4.363 4.470 -0.001 0.000 0.233 52 S C 1.796 176.353 174.600 -0.072 0.000 1.016 52 S CA 1.169 59.339 58.200 -0.050 0.000 0.974 52 S CB -0.510 62.660 63.200 -0.049 0.000 0.786 52 S HN 0.154 nan 8.310 nan 0.000 0.492 53 V N -1.670 118.202 119.914 -0.069 0.000 3.649 53 V HA 0.508 4.628 4.120 -0.001 0.000 0.275 53 V C 0.502 176.659 176.094 0.105 0.000 1.281 53 V CA -0.311 61.945 62.300 -0.074 0.000 1.143 53 V CB -0.914 30.908 31.823 -0.002 0.000 0.892 53 V HN 0.433 nan 8.190 nan 0.000 0.441 54 I N 1.717 122.297 120.570 0.016 0.000 2.304 54 I HA 0.289 4.459 4.170 -0.001 0.000 0.291 54 I C -0.252 175.909 176.117 0.073 0.000 1.018 54 I CA -0.497 60.797 61.300 -0.010 0.000 1.260 54 I CB 1.701 39.585 38.000 -0.192 0.000 1.390 54 I HN -0.023 nan 8.210 nan 0.000 0.475 55 V N 7.408 127.419 119.914 0.162 0.000 2.405 55 V HA 0.265 4.385 4.120 -0.001 0.000 0.264 55 V C 0.923 177.089 176.094 0.120 0.000 1.048 55 V CA -0.771 61.573 62.300 0.073 0.000 0.966 55 V CB 0.580 32.312 31.823 -0.152 0.000 1.015 55 V HN 0.837 nan 8.190 nan 0.000 0.477 56 A N 4.194 127.060 122.820 0.076 0.000 2.587 56 A HA 0.188 4.508 4.320 -0.001 0.000 0.235 56 A C 1.760 179.381 177.584 0.062 0.000 1.044 56 A CA 0.641 52.720 52.037 0.071 0.000 0.754 56 A CB 0.081 19.107 19.000 0.043 0.000 0.968 56 A HN 1.177 nan 8.150 nan 0.000 0.509 57 T N -0.427 114.172 114.554 0.076 0.000 2.881 57 T HA -0.186 4.164 4.350 -0.001 0.000 0.270 57 T C 1.215 175.905 174.700 -0.016 0.000 1.068 57 T CA 1.987 64.093 62.100 0.010 0.000 1.131 57 T CB -0.357 68.529 68.868 0.031 0.000 0.871 57 T HN 0.710 nan 8.240 nan 0.000 0.479 58 D N 1.131 121.536 120.400 0.008 0.000 2.144 58 D HA -0.056 4.584 4.640 -0.001 0.000 0.200 58 D C 2.261 178.567 176.300 0.011 0.000 0.978 58 D CA 1.249 55.254 54.000 0.007 0.000 0.833 58 D CB -0.264 40.550 40.800 0.022 0.000 0.961 58 D HN 0.463 nan 8.370 nan 0.000 0.470 59 S N -0.393 115.325 115.700 0.031 0.000 2.402 59 S HA -0.074 4.396 4.470 -0.001 0.000 0.229 59 S C 2.104 176.746 174.600 0.071 0.000 1.021 59 S CA 0.447 58.684 58.200 0.061 0.000 0.974 59 S CB -0.192 63.060 63.200 0.088 0.000 0.800 59 S HN 0.348 nan 8.310 nan 0.000 0.484 60 I N 1.709 122.295 120.570 0.026 0.000 2.226 60 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 60 I C 2.625 178.739 176.117 -0.005 0.000 1.100 60 I CA 1.256 62.574 61.300 0.030 0.000 1.374 60 I CB -0.313 37.578 38.000 -0.183 0.000 1.057 60 I HN 0.296 nan 8.210 nan 0.000 0.413 61 K N 1.212 121.556 120.400 -0.094 0.000 2.009 61 K HA -0.232 4.088 4.320 -0.001 0.000 0.210 61 K C 1.940 178.342 176.600 -0.331 0.000 1.049 61 K CA 1.886 58.029 56.287 -0.241 0.000 0.929 61 K CB -0.139 32.242 32.500 -0.198 0.000 0.714 61 K HN 0.228 nan 8.250 nan 0.000 0.440 62 N N 0.446 119.069 118.700 -0.128 0.000 2.094 62 N HA -0.145 4.595 4.740 -0.001 0.000 0.191 62 N C 1.733 177.238 175.510 -0.008 0.000 1.023 62 N CA 1.997 55.038 53.050 -0.015 0.000 0.857 62 N CB -0.866 37.657 38.487 0.059 0.000 1.013 62 N HN 0.298 nan 8.380 nan 0.000 0.426 63 T N 1.534 116.086 114.554 -0.003 0.000 2.833 63 T HA 0.006 4.355 4.350 -0.001 0.000 0.269 63 T C 2.090 176.744 174.700 -0.077 0.000 1.054 63 T CA 0.544 62.612 62.100 -0.053 0.000 1.135 63 T CB -0.114 68.737 68.868 -0.029 0.000 0.869 63 T HN 0.199 nan 8.240 nan 0.000 0.466 64 I N -0.063 120.469 120.570 -0.064 0.000 2.142 64 I HA -0.190 3.979 4.170 -0.001 0.000 0.240 64 I C 2.201 178.391 176.117 0.122 0.000 1.078 64 I CA 1.397 62.689 61.300 -0.014 0.000 1.343 64 I CB -0.373 37.573 38.000 -0.090 0.000 1.046 64 I HN 0.195 nan 8.210 nan 0.000 0.405 65 Y N 0.762 121.109 120.300 0.079 0.000 2.128 65 Y HA -0.244 4.306 4.550 -0.001 0.000 0.284 65 Y C 2.439 178.359 175.900 0.034 0.000 1.154 65 Y CA 1.172 59.308 58.100 0.060 0.000 1.149 65 Y CB -1.092 37.396 38.460 0.046 0.000 0.976 65 Y HN 0.120 nan 8.280 nan 0.000 0.505 66 I N -0.702 119.971 120.570 0.171 0.000 2.179 66 I HA -0.317 3.853 4.170 -0.001 0.000 0.242 66 I C 2.203 178.341 176.117 0.034 0.000 1.088 66 I CA 1.879 63.220 61.300 0.069 0.000 1.357 66 I CB -0.711 37.296 38.000 0.011 0.000 1.051 66 I HN 0.168 nan 8.210 nan 0.000 0.409 67 T N 0.684 115.249 114.554 0.019 0.000 2.746 67 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 67 T C 2.053 176.859 174.700 0.176 0.000 1.039 67 T CA 1.416 63.547 62.100 0.051 0.000 1.142 67 T CB -0.377 68.501 68.868 0.016 0.000 0.866 67 T HN 0.483 nan 8.240 nan 0.000 0.444 68 A N 1.582 124.521 122.820 0.199 0.000 1.933 68 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 68 A C 2.194 179.743 177.584 -0.058 0.000 1.175 68 A CA 1.990 54.008 52.037 -0.031 0.000 0.628 68 A CB -0.475 18.505 19.000 -0.033 0.000 0.814 68 A HN 0.403 nan 8.150 nan 0.000 0.444 69 K N 0.285 120.691 120.400 0.009 0.000 2.057 69 K HA -0.110 4.210 4.320 -0.001 0.000 0.206 69 K C 1.880 178.472 176.600 -0.014 0.000 1.050 69 K CA 1.931 58.215 56.287 -0.006 0.000 0.935 69 K CB -0.292 32.217 32.500 0.014 0.000 0.715 69 K HN 0.618 nan 8.250 nan 0.000 0.439 70 Q N -0.024 119.773 119.800 -0.004 0.000 2.392 70 Q HA 0.143 4.483 4.340 -0.001 0.000 0.203 70 Q C -0.244 175.750 176.000 -0.010 0.000 0.917 70 Q CA 0.142 55.940 55.803 -0.008 0.000 0.939 70 Q CB 0.326 29.059 28.738 -0.007 0.000 1.063 70 Q HN 0.273 nan 8.270 nan 0.000 0.516 71 N N 1.022 119.713 118.700 -0.014 0.000 2.509 71 N HA 0.394 5.134 4.740 -0.001 0.000 0.280 71 N C -2.918 172.532 175.510 -0.099 0.000 1.306 71 N CA -1.604 51.435 53.050 -0.017 0.000 0.782 71 N CB 1.959 40.483 38.487 0.062 0.000 1.493 71 N HN -0.177 nan 8.380 nan 0.000 0.498 72 P HA 0.076 nan 4.420 nan 0.000 0.280 72 P C 0.853 177.965 177.300 -0.312 0.000 1.244 72 P CA -0.237 62.739 63.100 -0.207 0.000 0.784 72 P CB 0.981 32.590 31.700 -0.151 0.000 0.913 73 V N 0.006 119.592 119.914 -0.547 0.000 3.649 73 V HA 0.184 4.303 4.120 -0.001 0.000 0.275 73 V C 0.631 176.430 176.094 -0.493 0.000 1.281 73 V CA 0.607 62.437 62.300 -0.784 0.000 1.143 73 V CB -0.487 30.792 31.823 -0.907 0.000 0.892 73 V HN 0.566 nan 8.190 nan 0.000 0.441 74 T N 2.164 116.451 114.554 -0.446 0.000 2.912 74 T HA 0.609 4.959 4.350 -0.001 0.000 0.299 74 T C -2.976 171.619 174.700 -0.174 0.000 1.052 74 T CA -1.388 60.514 62.100 -0.331 0.000 0.996 74 T CB 2.128 70.698 68.868 -0.498 0.000 1.070 74 T HN 0.328 nan 8.240 nan 0.000 0.465 75 P HA 0.332 nan 4.420 nan 0.000 0.276 75 P C -2.163 175.068 177.300 -0.115 0.000 1.244 75 P CA -1.492 61.559 63.100 -0.081 0.000 0.801 75 P CB 0.475 32.190 31.700 0.025 0.000 1.006 76 P HA -0.179 nan 4.420 nan 0.000 0.217 76 P C 1.099 178.310 177.300 -0.149 0.000 1.148 76 P CA 1.516 64.574 63.100 -0.070 0.000 0.828 76 P CB 0.143 31.793 31.700 -0.084 0.000 0.783 77 E N -0.394 119.606 120.200 -0.333 0.000 2.110 77 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 77 E C 1.994 178.323 176.600 -0.452 0.000 0.988 77 E CA 0.772 56.831 56.400 -0.568 0.000 0.804 77 E CB -0.993 27.883 29.700 -1.372 0.000 0.745 77 E HN 0.171 nan 8.360 nan 0.000 0.458 78 L N -0.291 120.735 121.223 -0.328 0.000 2.044 78 L HA -0.047 4.293 4.340 -0.001 0.000 0.205 78 L C 2.003 178.838 176.870 -0.059 0.000 1.075 78 L CA 1.510 56.257 54.840 -0.155 0.000 0.747 78 L CB -0.548 41.475 42.059 -0.060 0.000 0.903 78 L HN 0.120 nan 8.230 nan 0.000 0.435 79 F N 0.772 120.619 119.950 -0.172 0.000 2.202 79 F HA -0.029 4.498 4.527 -0.000 0.000 0.301 79 F C 2.097 177.832 175.800 -0.110 0.000 1.082 79 F CA 1.388 59.307 58.000 -0.135 0.000 1.313 79 F CB -0.986 37.929 39.000 -0.141 0.000 1.024 79 F HN 0.150 nan 8.300 nan 0.000 0.495 80 G N -1.064 107.574 108.800 -0.270 0.000 2.408 80 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.217 80 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.217 80 G C 1.816 176.576 174.900 -0.234 0.000 1.150 80 G CA 0.850 45.764 45.100 -0.309 0.000 0.776 80 G HN 0.419 nan 8.290 nan 0.000 0.542 81 S N 0.492 116.085 115.700 -0.178 0.000 2.368 81 S HA -0.014 4.456 4.470 -0.001 0.000 0.224 81 S C 2.259 176.794 174.600 -0.108 0.000 1.029 81 S CA 0.690 58.821 58.200 -0.115 0.000 0.988 81 S CB -0.186 62.950 63.200 -0.105 0.000 0.838 81 S HN 0.353 nan 8.310 nan 0.000 0.462 82 I N 0.983 121.476 120.570 -0.128 0.000 2.127 82 I HA -0.196 3.973 4.170 -0.001 0.000 0.241 82 I C 2.301 178.332 176.117 -0.144 0.000 1.075 82 I CA 0.921 62.160 61.300 -0.102 0.000 1.334 82 I CB -0.266 37.700 38.000 -0.056 0.000 1.040 82 I HN 0.225 nan 8.210 nan 0.000 0.405 83 L N 0.886 121.936 121.223 -0.288 0.000 2.046 83 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 83 L C 2.331 179.154 176.870 -0.079 0.000 1.077 83 L CA 2.262 56.928 54.840 -0.289 0.000 0.747 83 L CB -1.285 40.475 42.059 -0.498 0.000 0.896 83 L HN 0.225 nan 8.230 nan 0.000 0.432 84 G N -2.361 106.407 108.800 -0.053 0.000 2.402 84 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 84 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 84 G C 1.507 176.440 174.900 0.056 0.000 1.162 84 G CA 1.095 46.221 45.100 0.044 0.000 0.777 84 G HN 0.393 nan 8.290 nan 0.000 0.539 85 T N -0.070 114.487 114.554 0.005 0.000 2.746 85 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 85 T C 2.016 176.715 174.700 -0.000 0.000 1.039 85 T CA 1.717 63.821 62.100 0.006 0.000 1.142 85 T CB -0.331 68.533 68.868 -0.008 0.000 0.866 85 T HN 0.603 nan 8.240 nan 0.000 0.444 86 H N 0.210 119.200 119.070 -0.134 0.000 2.319 86 H HA -0.121 4.435 4.556 -0.001 0.000 0.297 86 H C 1.800 177.031 175.328 -0.160 0.000 1.097 86 H CA 1.917 57.836 56.048 -0.216 0.000 1.285 86 H CB -0.484 29.037 29.762 -0.402 0.000 1.368 86 H HN 0.363 nan 8.280 nan 0.000 0.495 87 F N 0.559 120.501 119.950 -0.014 0.000 2.146 87 F HA -0.106 4.421 4.527 0.000 0.000 0.298 87 F C 2.598 178.386 175.800 -0.020 0.000 1.096 87 F CA 1.407 59.393 58.000 -0.024 0.000 1.275 87 F CB -0.512 38.442 39.000 -0.076 0.000 1.008 87 F HN 0.374 nan 8.300 nan 0.000 0.480 88 I N -2.273 118.365 120.570 0.113 0.000 2.546 88 I HA -0.088 4.082 4.170 -0.001 0.000 0.255 88 I C 1.691 177.820 176.117 0.020 0.000 1.163 88 I CA 1.496 62.827 61.300 0.052 0.000 1.457 88 I CB -0.543 37.480 38.000 0.037 0.000 1.092 88 I HN 0.142 nan 8.210 nan 0.000 0.434 89 E N 1.361 121.538 120.200 -0.038 0.000 2.250 89 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 89 E C 1.789 178.293 176.600 -0.159 0.000 0.986 89 E CA 0.435 56.788 56.400 -0.080 0.000 0.849 89 E CB 0.251 29.900 29.700 -0.084 0.000 0.797 89 E HN 0.368 nan 8.360 nan 0.000 0.482 90 K N -0.065 120.180 120.400 -0.259 0.000 2.314 90 K HA 0.012 4.331 4.320 -0.001 0.000 0.198 90 K C -0.514 175.637 176.600 -0.749 0.000 1.045 90 K CA 0.519 56.502 56.287 -0.506 0.000 0.988 90 K CB 0.323 32.371 32.500 -0.753 0.000 0.783 90 K HN -0.043 nan 8.250 nan 0.000 0.484 91 Y N 0.565 120.822 120.300 -0.072 0.000 2.331 91 Y HA 0.333 4.883 4.550 -0.001 0.000 0.334 91 Y C 0.490 176.388 175.900 -0.003 0.000 0.960 91 Y CA -1.150 56.956 58.100 0.009 0.000 1.130 91 Y CB 1.635 40.082 38.460 -0.021 0.000 1.164 91 Y HN -0.099 nan 8.280 nan 0.000 0.458 92 N N 1.147 119.944 118.700 0.162 0.000 2.244 92 N HA -0.170 4.570 4.740 -0.001 0.000 0.183 92 N C 1.472 177.061 175.510 0.131 0.000 1.016 92 N CA 1.278 54.410 53.050 0.136 0.000 0.866 92 N CB -0.123 38.434 38.487 0.117 0.000 0.980 92 N HN 0.774 nan 8.380 nan 0.000 0.430 93 H N -0.806 118.240 119.070 -0.040 0.000 2.526 93 H HA 0.185 4.741 4.556 -0.001 0.000 0.274 93 H C -0.042 175.007 175.328 -0.465 0.000 0.999 93 H CA -0.204 55.740 56.048 -0.173 0.000 1.157 93 H CB 0.085 29.829 29.762 -0.029 0.000 1.407 93 H HN -0.032 nan 8.280 nan 0.000 0.568 94 I N 2.878 123.008 120.570 -0.733 0.000 2.321 94 I HA 0.101 4.271 4.170 -0.001 0.000 0.291 94 I C 0.396 176.218 176.117 -0.491 0.000 0.998 94 I CA -0.535 60.397 61.300 -0.613 0.000 1.227 94 I CB 1.253 39.039 38.000 -0.356 0.000 1.368 94 I HN 0.285 nan 8.210 nan 0.000 0.466 95 H N 4.426 123.448 119.070 -0.081 0.000 2.874 95 H HA 0.509 5.064 4.556 -0.001 0.000 0.264 95 H C 0.326 175.611 175.328 -0.071 0.000 1.007 95 H CA 0.044 56.062 56.048 -0.049 0.000 1.207 95 H CB 1.314 31.062 29.762 -0.023 0.000 1.487 95 H HN 0.599 nan 8.280 nan 0.000 0.505 96 A N 0.714 123.496 122.820 -0.063 0.000 2.520 96 A HA 0.755 5.074 4.320 -0.001 0.000 0.298 96 A C -1.167 176.199 177.584 -0.363 0.000 1.051 96 A CA -0.168 51.760 52.037 -0.182 0.000 0.690 96 A CB 1.543 20.433 19.000 -0.184 0.000 1.281 96 A HN 0.199 nan 8.150 nan 0.000 0.402 97 A N 2.189 124.778 122.820 -0.385 0.000 2.385 97 A HA 0.701 5.020 4.320 -0.001 0.000 0.290 97 A C -1.236 176.136 177.584 -0.355 0.000 1.094 97 A CA -0.551 51.264 52.037 -0.371 0.000 0.729 97 A CB 0.656 19.592 19.000 -0.106 0.000 1.194 97 A HN 0.809 nan 8.150 nan 0.000 0.442 98 H N 2.174 121.181 119.070 -0.106 0.000 2.581 98 H HA 0.438 4.994 4.556 -0.001 0.000 0.308 98 H C -0.774 174.493 175.328 -0.103 0.000 1.040 98 H CA -0.451 55.544 56.048 -0.088 0.000 1.231 98 H CB 1.214 30.925 29.762 -0.085 0.000 1.396 98 H HN 0.305 nan 8.280 nan 0.000 0.467 99 V N 4.004 123.928 119.914 0.016 0.000 2.398 99 V HA 0.186 4.305 4.120 -0.001 0.000 0.286 99 V C 0.338 176.404 176.094 -0.046 0.000 1.026 99 V CA -0.815 61.459 62.300 -0.043 0.000 0.868 99 V CB 1.606 33.375 31.823 -0.088 0.000 0.982 99 V HN 0.662 nan 8.190 nan 0.000 0.443 100 N N 3.990 122.660 118.700 -0.050 0.000 2.372 100 N HA 0.698 5.437 4.740 -0.001 0.000 0.285 100 N C -1.272 174.208 175.510 -0.050 0.000 1.008 100 N CA -0.437 52.581 53.050 -0.054 0.000 0.880 100 N CB 1.300 39.758 38.487 -0.049 0.000 1.239 100 N HN 0.647 nan 8.380 nan 0.000 0.484 101 I N 2.765 123.300 120.570 -0.058 0.000 2.498 101 I HA 0.379 4.549 4.170 -0.001 0.000 0.290 101 I C -0.901 175.168 176.117 -0.081 0.000 1.032 101 I CA -1.091 60.184 61.300 -0.042 0.000 1.073 101 I CB 2.099 40.090 38.000 -0.016 0.000 1.251 101 I HN 0.168 nan 8.210 nan 0.000 0.426 102 V N 5.046 124.897 119.914 -0.105 0.000 2.378 102 V HA 0.293 4.413 4.120 -0.001 0.000 0.288 102 V C -0.336 175.535 176.094 -0.371 0.000 1.016 102 V CA -0.532 61.638 62.300 -0.216 0.000 0.840 102 V CB 1.566 33.263 31.823 -0.211 0.000 0.994 102 V HN 0.799 nan 8.190 nan 0.000 0.431 103 C N 4.747 123.847 119.300 -0.333 0.000 2.369 103 C HA 0.557 5.016 4.460 -0.001 0.000 0.358 103 C C 0.360 175.099 174.990 -0.418 0.000 1.274 103 C CA -0.592 58.244 59.018 -0.305 0.000 1.935 103 C CB -0.539 27.092 27.740 -0.182 0.000 2.431 103 C HN 0.881 nan 8.230 nan 0.000 0.545 104 H N 0.834 119.856 119.070 -0.080 0.000 2.479 104 H HA 0.466 5.021 4.556 -0.001 0.000 0.335 104 H C 0.071 175.251 175.328 -0.247 0.000 1.142 104 H CA -0.441 55.499 56.048 -0.179 0.000 1.234 104 H CB 0.747 30.365 29.762 -0.240 0.000 1.503 104 H HN 0.506 nan 8.280 nan 0.000 0.510 105 R N 1.656 122.057 120.500 -0.165 0.000 2.340 105 R HA 0.096 4.435 4.340 -0.001 0.000 0.300 105 R C -0.838 175.279 176.300 -0.305 0.000 1.069 105 R CA 0.107 56.120 56.100 -0.146 0.000 0.984 105 R CB 0.675 30.946 30.300 -0.048 0.000 1.003 105 R HN 0.677 nan 8.270 nan 0.000 0.459 106 W N 2.110 123.432 121.300 0.036 0.000 2.036 106 W HA 0.160 4.820 4.660 -0.000 0.000 0.294 106 W C -0.505 176.112 176.519 0.162 0.000 0.948 106 W CA -0.644 56.725 57.345 0.040 0.000 1.774 106 W CB 1.726 31.083 29.460 -0.172 0.000 1.950 106 W HN 0.434 nan 8.180 nan 0.000 0.384 107 T N 2.226 117.029 114.554 0.415 0.000 2.870 107 T HA 0.089 4.439 4.350 -0.001 0.000 0.300 107 T C 0.530 175.448 174.700 0.363 0.000 0.989 107 T CA -0.199 62.100 62.100 0.332 0.000 1.139 107 T CB 0.626 69.619 68.868 0.208 0.000 0.920 107 T HN 0.201 nan 8.240 nan 0.000 0.537 108 R N 3.564 124.231 120.500 0.279 0.000 2.522 108 R HA 0.136 4.475 4.340 -0.001 0.000 0.284 108 R C 0.284 176.562 176.300 -0.036 0.000 1.032 108 R CA -0.044 56.053 56.100 -0.005 0.000 1.049 108 R CB 0.250 30.536 30.300 -0.024 0.000 0.956 108 R HN 0.626 nan 8.270 nan 0.000 0.422 109 M N 3.102 122.619 119.600 -0.139 0.000 2.238 109 M HA 0.024 4.504 4.480 -0.001 0.000 0.347 109 M C -0.464 175.812 176.300 -0.039 0.000 1.173 109 M CA 0.452 55.710 55.300 -0.069 0.000 1.147 109 M CB 0.833 33.361 32.600 -0.120 0.000 1.547 109 M HN 0.463 nan 8.290 nan 0.000 0.455 110 D N 4.688 125.082 120.400 -0.010 0.000 2.373 110 D HA 0.344 4.984 4.640 -0.001 0.000 0.227 110 D C -0.689 175.612 176.300 0.002 0.000 1.091 110 D CA -0.033 53.967 54.000 -0.000 0.000 0.840 110 D CB 1.048 41.853 40.800 0.008 0.000 1.060 110 D HN 0.346 nan 8.370 nan 0.000 0.502 111 I N 2.391 122.969 120.570 0.012 0.000 2.355 111 I HA 0.095 4.264 4.170 -0.001 0.000 0.288 111 I C 0.087 176.211 176.117 0.013 0.000 0.999 111 I CA -0.366 60.945 61.300 0.017 0.000 1.163 111 I CB 1.410 39.441 38.000 0.052 0.000 1.316 111 I HN 0.279 nan 8.210 nan 0.000 0.454 112 D N 5.029 125.433 120.400 0.007 0.000 2.870 112 D HA -0.172 4.468 4.640 -0.001 0.000 0.228 112 D C 1.112 177.412 176.300 0.001 0.000 1.147 112 D CA 1.578 55.581 54.000 0.004 0.000 0.757 112 D CB -1.149 39.653 40.800 0.003 0.000 1.091 112 D HN 1.127 nan 8.370 nan 0.000 0.429 113 G N -0.677 108.124 108.800 0.002 0.000 2.147 113 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.244 113 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.244 113 G C 0.161 175.058 174.900 -0.004 0.000 1.005 113 G CA 0.671 45.772 45.100 0.001 0.000 0.713 113 G HN 0.509 nan 8.290 nan 0.000 0.515 114 K N 0.189 120.584 120.400 -0.008 0.000 2.513 114 K HA 0.543 4.863 4.320 -0.001 0.000 0.251 114 K C -2.770 173.815 176.600 -0.026 0.000 0.939 114 K CA -2.161 54.114 56.287 -0.020 0.000 0.793 114 K CB 2.748 35.228 32.500 -0.033 0.000 1.241 114 K HN -0.077 nan 8.250 nan 0.000 0.431 115 P HA -0.073 nan 4.420 nan 0.000 0.262 115 P C -0.962 176.289 177.300 -0.082 0.000 1.199 115 P CA 0.063 63.139 63.100 -0.040 0.000 0.763 115 P CB 0.316 31.998 31.700 -0.031 0.000 0.790 116 H N 6.720 125.680 119.070 -0.184 0.000 2.683 116 H HA 0.069 4.625 4.556 0.000 0.000 0.339 116 H C -1.208 173.929 175.328 -0.318 0.000 1.081 116 H CA -1.470 54.420 56.048 -0.264 0.000 1.432 116 H CB 1.048 30.625 29.762 -0.309 0.000 1.462 116 H HN 0.303 nan 8.280 nan 0.000 0.557 117 P HA -0.094 nan 4.420 nan 0.000 0.226 117 P C 0.226 177.478 177.300 -0.080 0.000 1.153 117 P CA 1.443 64.391 63.100 -0.255 0.000 0.777 117 P CB 0.248 31.788 31.700 -0.267 0.000 0.794 118 H N -3.986 115.127 119.070 0.071 0.000 3.377 118 H HA 0.472 5.028 4.556 -0.001 0.000 0.243 118 H C -0.990 174.262 175.328 -0.127 0.000 1.264 118 H CA -0.403 55.664 56.048 0.032 0.000 1.021 118 H CB -0.223 29.623 29.762 0.140 0.000 2.781 118 H HN -0.214 nan 8.280 nan 0.000 0.643 119 S N 1.176 116.571 115.700 -0.508 0.000 2.521 119 S HA 0.644 5.114 4.470 -0.001 0.000 0.295 119 S C -1.100 173.033 174.600 -0.778 0.000 1.098 119 S CA -0.445 57.484 58.200 -0.452 0.000 0.999 119 S CB 1.333 64.219 63.200 -0.524 0.000 1.034 119 S HN 0.287 nan 8.310 nan 0.000 0.483 120 F N 1.622 121.556 119.950 -0.026 0.000 2.620 120 F HA 0.689 5.216 4.527 -0.001 0.000 0.320 120 F C -0.212 175.706 175.800 0.197 0.000 1.069 120 F CA -1.045 57.005 58.000 0.083 0.000 0.953 120 F CB 1.200 40.254 39.000 0.089 0.000 1.322 120 F HN 0.393 nan 8.300 nan 0.000 0.479 121 I N 1.405 122.273 120.570 0.497 0.000 2.619 121 I HA 0.520 4.690 4.170 -0.001 0.000 0.292 121 I C -0.872 175.476 176.117 0.384 0.000 1.100 121 I CA -1.070 60.472 61.300 0.403 0.000 1.043 121 I CB 1.742 39.864 38.000 0.202 0.000 1.239 121 I HN 0.671 nan 8.210 nan 0.000 0.420 122 R N 5.497 126.139 120.500 0.236 0.000 2.419 122 R HA 0.158 4.498 4.340 -0.001 0.000 0.305 122 R C 0.401 176.696 176.300 -0.008 0.000 1.242 122 R CA -0.124 55.920 56.100 -0.093 0.000 1.105 122 R CB -0.017 30.086 30.300 -0.329 0.000 1.116 122 R HN 0.701 nan 8.270 nan 0.000 0.523 123 D N 0.885 121.304 120.400 0.032 0.000 2.075 123 D HA -0.078 4.562 4.640 -0.001 0.000 0.196 123 D C -0.049 176.261 176.300 0.017 0.000 0.985 123 D CA 0.835 54.860 54.000 0.042 0.000 0.834 123 D CB -0.250 40.591 40.800 0.068 0.000 0.987 123 D HN 0.324 nan 8.370 nan 0.000 0.452 124 S N -0.847 114.860 115.700 0.012 0.000 2.718 124 S HA 0.265 4.735 4.470 -0.001 0.000 0.300 124 S C 0.340 174.932 174.600 -0.013 0.000 1.117 124 S CA -0.571 57.635 58.200 0.010 0.000 1.002 124 S CB 1.803 65.024 63.200 0.035 0.000 1.092 124 S HN 0.046 nan 8.310 nan 0.000 0.542 125 E N 1.141 121.339 120.200 -0.003 0.000 2.444 125 E HA 0.113 4.462 4.350 -0.001 0.000 0.191 125 E C 0.095 176.704 176.600 0.015 0.000 1.041 125 E CA -0.004 56.394 56.400 -0.003 0.000 0.883 125 E CB 0.144 29.841 29.700 -0.004 0.000 1.024 125 E HN 0.597 nan 8.360 nan 0.000 0.470 126 E N 1.685 121.901 120.200 0.026 0.000 2.338 126 E HA 0.043 4.393 4.350 -0.001 0.000 0.272 126 E C -0.303 176.327 176.600 0.050 0.000 1.029 126 E CA -0.063 56.365 56.400 0.048 0.000 0.872 126 E CB 0.559 30.305 29.700 0.077 0.000 1.015 126 E HN -0.230 nan 8.360 nan 0.000 0.417 127 K N 3.373 123.798 120.400 0.043 0.000 2.306 127 K HA 0.445 4.765 4.320 -0.001 0.000 0.236 127 K C -0.420 176.208 176.600 0.046 0.000 1.013 127 K CA -0.888 55.396 56.287 -0.006 0.000 0.857 127 K CB 1.688 34.145 32.500 -0.072 0.000 1.214 127 K HN 0.521 nan 8.250 nan 0.000 0.449 128 R N 1.453 121.930 120.500 -0.037 0.000 2.476 128 R HA 0.339 4.679 4.340 -0.001 0.000 0.305 128 R C -1.186 175.046 176.300 -0.113 0.000 0.965 128 R CA -0.278 55.801 56.100 -0.034 0.000 0.867 128 R CB 0.765 30.924 30.300 -0.234 0.000 1.176 128 R HN 0.766 nan 8.270 nan 0.000 0.447 129 N N 1.581 120.217 118.700 -0.107 0.000 2.577 129 N HA 0.626 5.366 4.740 -0.001 0.000 0.285 129 N C -1.460 173.960 175.510 -0.151 0.000 1.309 129 N CA -0.852 52.118 53.050 -0.133 0.000 0.798 129 N CB 2.477 40.889 38.487 -0.126 0.000 1.463 129 N HN 0.347 nan 8.380 nan 0.000 0.518 130 V N -2.597 117.237 119.914 -0.133 0.000 2.969 130 V HA 0.543 4.663 4.120 -0.001 0.000 0.304 130 V C -1.657 174.374 176.094 -0.105 0.000 1.192 130 V CA -0.744 61.478 62.300 -0.131 0.000 0.962 130 V CB 1.770 33.516 31.823 -0.130 0.000 1.045 130 V HN 0.776 nan 8.190 nan 0.000 0.428 131 Q N 2.546 122.291 119.800 -0.091 0.000 2.325 131 Q HA 0.775 5.115 4.340 -0.001 0.000 0.270 131 Q C -1.933 174.046 176.000 -0.036 0.000 1.020 131 Q CA -0.662 55.101 55.803 -0.066 0.000 0.785 131 Q CB 2.257 30.951 28.738 -0.073 0.000 1.259 131 Q HN 0.886 nan 8.270 nan 0.000 0.452 132 V N 4.224 124.123 119.914 -0.025 0.000 2.376 132 V HA 0.321 4.440 4.120 -0.001 0.000 0.287 132 V C -0.885 175.237 176.094 0.047 0.000 1.015 132 V CA -0.807 61.492 62.300 -0.002 0.000 0.834 132 V CB 1.693 33.488 31.823 -0.048 0.000 1.001 132 V HN 0.770 nan 8.190 nan 0.000 0.428 133 D N 3.936 124.385 120.400 0.082 0.000 2.373 133 D HA 0.361 5.001 4.640 -0.001 0.000 0.227 133 D C -0.462 175.894 176.300 0.094 0.000 1.091 133 D CA -0.065 54.027 54.000 0.153 0.000 0.840 133 D CB 2.336 43.238 40.800 0.170 0.000 1.060 133 D HN 0.268 nan 8.370 nan 0.000 0.502 134 V N 3.380 123.323 119.914 0.049 0.000 2.294 134 V HA 0.217 4.337 4.120 -0.001 0.000 0.272 134 V C 0.227 176.329 176.094 0.013 0.000 1.027 134 V CA -0.658 61.659 62.300 0.029 0.000 0.823 134 V CB 1.414 33.245 31.823 0.013 0.000 1.030 134 V HN 0.217 nan 8.190 nan 0.000 0.457 135 V N 3.747 123.684 119.914 0.039 0.000 2.417 135 V HA 0.340 4.460 4.120 -0.001 0.000 0.291 135 V C 0.403 176.523 176.094 0.042 0.000 1.024 135 V CA -0.884 61.440 62.300 0.039 0.000 0.861 135 V CB 1.707 33.562 31.823 0.054 0.000 0.985 135 V HN 0.879 nan 8.190 nan 0.000 0.436 136 E N 3.013 123.244 120.200 0.051 0.000 2.694 136 E HA 0.201 4.551 4.350 -0.001 0.000 0.250 136 E C 1.314 177.930 176.600 0.026 0.000 0.963 136 E CA 1.157 57.588 56.400 0.050 0.000 0.949 136 E CB 0.180 29.932 29.700 0.087 0.000 0.911 136 E HN 1.140 nan 8.360 nan 0.000 0.500 137 G N 4.199 113.015 108.800 0.026 0.000 2.155 137 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.257 137 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.257 137 G C 0.563 175.476 174.900 0.022 0.000 0.983 137 G CA 0.719 45.830 45.100 0.018 0.000 0.676 137 G HN 0.617 nan 8.290 nan 0.000 0.528 138 K N -0.386 120.032 120.400 0.031 0.000 2.533 138 K HA 0.480 4.800 4.320 -0.001 0.000 0.202 138 K C 1.336 177.963 176.600 0.046 0.000 1.096 138 K CA 0.246 56.552 56.287 0.033 0.000 1.056 138 K CB 1.252 33.770 32.500 0.030 0.000 0.890 138 K HN 1.412 nan 8.250 nan 0.000 0.552 139 G N 2.052 110.886 108.800 0.056 0.000 2.645 139 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.239 139 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.239 139 G C -0.475 174.480 174.900 0.092 0.000 1.331 139 G CA -0.636 44.513 45.100 0.081 0.000 0.890 139 G HN 0.144 nan 8.290 nan 0.000 0.572 140 I N 0.753 121.407 120.570 0.139 0.000 2.362 140 I HA 0.357 4.527 4.170 -0.001 0.000 0.289 140 I C -0.877 175.342 176.117 0.169 0.000 0.994 140 I CA -0.728 60.661 61.300 0.150 0.000 1.158 140 I CB 1.822 39.922 38.000 0.166 0.000 1.315 140 I HN 0.277 nan 8.210 nan 0.000 0.451 141 D N 7.619 128.088 120.400 0.115 0.000 2.233 141 D HA 0.543 5.182 4.640 -0.001 0.000 0.240 141 D C -0.393 175.978 176.300 0.118 0.000 1.074 141 D CA -0.047 54.009 54.000 0.093 0.000 0.838 141 D CB 2.542 43.376 40.800 0.057 0.000 1.124 141 D HN 0.344 nan 8.370 nan 0.000 0.475 142 I N 2.057 122.734 120.570 0.179 0.000 2.436 142 I HA 0.235 4.405 4.170 -0.001 0.000 0.289 142 I C -0.021 176.254 176.117 0.264 0.000 1.010 142 I CA -0.662 60.764 61.300 0.210 0.000 1.098 142 I CB 1.799 39.948 38.000 0.248 0.000 1.266 142 I HN -0.081 nan 8.210 nan 0.000 0.434 143 K N 4.182 124.639 120.400 0.095 0.000 2.464 143 K HA 0.442 4.762 4.320 -0.001 0.000 0.252 143 K C -0.775 175.720 176.600 -0.176 0.000 1.000 143 K CA -0.237 56.030 56.287 -0.034 0.000 0.951 143 K CB 1.726 34.175 32.500 -0.085 0.000 1.183 143 K HN 0.477 nan 8.250 nan 0.000 0.445 144 S N 1.046 116.525 115.700 -0.368 0.000 2.616 144 S HA 0.582 5.052 4.470 -0.001 0.000 0.277 144 S C -0.652 173.167 174.600 -1.302 0.000 1.234 144 S CA -0.621 57.167 58.200 -0.687 0.000 1.028 144 S CB 1.277 64.189 63.200 -0.479 0.000 0.988 144 S HN 0.694 nan 8.310 nan 0.000 0.522 145 S N 0.989 116.103 115.700 -0.976 0.000 2.578 145 S HA 0.651 5.120 4.470 -0.001 0.000 0.272 145 S C -1.544 172.909 174.600 -0.245 0.000 1.145 145 S CA -1.075 56.650 58.200 -0.791 0.000 0.835 145 S CB 0.504 63.449 63.200 -0.426 0.000 1.104 145 S HN 0.679 nan 8.310 nan 0.000 0.458 146 L N -0.253 120.976 121.223 0.010 0.000 2.354 146 L HA 1.044 5.384 4.340 -0.001 0.000 0.269 146 L C -0.361 176.548 176.870 0.064 0.000 1.005 146 L CA -0.414 54.541 54.840 0.192 0.000 0.819 146 L CB 1.797 44.078 42.059 0.371 0.000 1.311 146 L HN 1.189 nan 8.230 nan 0.000 0.423 147 S N -0.346 115.389 115.700 0.059 0.000 2.596 147 S HA 0.766 5.236 4.470 -0.001 0.000 0.270 147 S C 0.291 174.904 174.600 0.021 0.000 1.155 147 S CA -0.211 57.998 58.200 0.015 0.000 0.827 147 S CB 1.057 64.247 63.200 -0.018 0.000 1.130 147 S HN 2.350 nan 8.310 nan 0.000 0.467 148 G N -0.070 108.733 108.800 0.004 0.000 2.198 148 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.257 148 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.257 148 G C -0.428 174.474 174.900 0.003 0.000 1.042 148 G CA 0.281 45.382 45.100 0.002 0.000 0.791 148 G HN 1.464 nan 8.290 nan 0.000 0.502 149 L N 1.643 122.862 121.223 -0.006 0.000 2.264 149 L HA 0.735 5.075 4.340 -0.001 0.000 0.287 149 L C 0.256 177.086 176.870 -0.068 0.000 1.039 149 L CA -0.271 54.555 54.840 -0.023 0.000 0.829 149 L CB 1.268 43.316 42.059 -0.018 0.000 1.211 149 L HN 0.060 nan 8.230 nan 0.000 0.427 150 T N 5.409 119.924 114.554 -0.064 0.000 2.767 150 T HA 0.666 5.015 4.350 -0.001 0.000 0.284 150 T C -0.401 174.228 174.700 -0.119 0.000 0.973 150 T CA -0.264 61.785 62.100 -0.085 0.000 0.996 150 T CB 1.054 69.897 68.868 -0.041 0.000 0.927 150 T HN 0.534 nan 8.240 nan 0.000 0.456 151 V N 2.278 122.069 119.914 -0.205 0.000 3.102 151 V HA 0.915 5.035 4.120 -0.001 0.000 0.312 151 V C -1.117 174.903 176.094 -0.123 0.000 1.135 151 V CA -1.186 60.971 62.300 -0.238 0.000 1.022 151 V CB 2.146 33.621 31.823 -0.580 0.000 1.056 151 V HN 0.823 nan 8.190 nan 0.000 0.436 152 L N 1.581 122.850 121.223 0.076 0.000 2.549 152 L HA 0.705 5.045 4.340 -0.001 0.000 0.259 152 L C -1.284 175.705 176.870 0.198 0.000 0.934 152 L CA -0.540 54.385 54.840 0.143 0.000 0.865 152 L CB 2.085 44.120 42.059 -0.041 0.000 1.352 152 L HN 1.066 nan 8.230 nan 0.000 0.410 153 K N 1.834 122.299 120.400 0.109 0.000 2.502 153 K HA 0.407 4.727 4.320 -0.001 0.000 0.254 153 K C 0.021 176.547 176.600 -0.124 0.000 0.947 153 K CA -0.175 56.079 56.287 -0.056 0.000 0.834 153 K CB 1.891 34.236 32.500 -0.258 0.000 1.112 153 K HN 0.590 nan 8.250 nan 0.000 0.427 154 S N 1.663 117.285 115.700 -0.131 0.000 2.447 154 S HA -0.089 4.381 4.470 -0.001 0.000 0.233 154 S C 0.919 175.444 174.600 -0.126 0.000 1.006 154 S CA 0.959 59.057 58.200 -0.170 0.000 0.957 154 S CB -0.168 62.942 63.200 -0.149 0.000 0.773 154 S HN 0.777 nan 8.310 nan 0.000 0.507 155 T N 0.048 114.547 114.554 -0.091 0.000 2.654 155 T HA 0.468 4.818 4.350 -0.001 0.000 0.289 155 T C -1.440 173.224 174.700 -0.061 0.000 1.062 155 T CA -0.601 61.469 62.100 -0.050 0.000 1.041 155 T CB 0.635 69.493 68.868 -0.018 0.000 1.417 155 T HN 0.082 nan 8.240 nan 0.000 0.510 156 N N 0.558 119.245 118.700 -0.020 0.000 2.727 156 N HA -0.120 4.620 4.740 -0.001 0.000 0.251 156 N C -1.267 174.214 175.510 -0.049 0.000 1.040 156 N CA 1.291 54.326 53.050 -0.025 0.000 0.712 156 N CB -1.170 37.283 38.487 -0.055 0.000 0.912 156 N HN 0.623 nan 8.380 nan 0.000 0.545 157 S N -0.326 115.371 115.700 -0.005 0.000 2.562 157 S HA 0.659 5.128 4.470 -0.001 0.000 0.274 157 S C -1.315 173.327 174.600 0.069 0.000 1.160 157 S CA -0.660 57.538 58.200 -0.004 0.000 0.933 157 S CB 1.112 64.282 63.200 -0.050 0.000 1.100 157 S HN 0.241 nan 8.310 nan 0.000 0.468 158 Q N 2.081 121.935 119.800 0.091 0.000 2.495 158 Q HA 0.712 5.052 4.340 -0.001 0.000 0.287 158 Q C -1.832 174.271 176.000 0.172 0.000 1.078 158 Q CA -0.820 55.065 55.803 0.136 0.000 0.793 158 Q CB 2.198 31.052 28.738 0.194 0.000 1.459 158 Q HN 0.546 nan 8.270 nan 0.000 0.422 159 F N 2.844 122.751 119.950 -0.071 0.000 2.941 159 F HA 0.556 5.082 4.527 -0.000 0.000 0.359 159 F C -2.022 173.784 175.800 0.010 0.000 1.231 159 F CA -0.487 57.457 58.000 -0.093 0.000 1.089 159 F CB 1.019 39.987 39.000 -0.052 0.000 1.407 159 F HN 0.633 nan 8.300 nan 0.000 0.538 160 W N 3.490 124.488 121.300 -0.504 0.000 3.146 160 W HA 0.578 5.238 4.660 -0.001 0.000 0.319 160 W C 0.200 176.441 176.519 -0.463 0.000 1.258 160 W CA -1.264 55.712 57.345 -0.614 0.000 1.189 160 W CB 1.042 29.846 29.460 -1.092 0.000 1.412 160 W HN 1.119 nan 8.180 nan 0.000 0.567 161 G N 0.886 109.516 108.800 -0.284 0.000 2.194 161 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.236 161 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.236 161 G C -0.124 174.561 174.900 -0.358 0.000 0.987 161 G CA 0.167 45.114 45.100 -0.255 0.000 0.635 161 G HN 1.014 nan 8.290 nan 0.000 0.520 162 F N 0.351 120.058 119.950 -0.405 0.000 2.485 162 F HA 0.677 5.204 4.527 -0.000 0.000 0.327 162 F C 0.967 176.690 175.800 -0.128 0.000 1.203 162 F CA -1.341 56.482 58.000 -0.294 0.000 1.295 162 F CB 0.309 39.065 39.000 -0.407 0.000 1.191 162 F HN 0.170 nan 8.300 nan 0.000 0.588 163 L N 2.143 123.449 121.223 0.139 0.000 2.514 163 L HA 0.221 4.560 4.340 -0.001 0.000 0.280 163 L C -0.192 176.750 176.870 0.119 0.000 1.223 163 L CA 0.231 55.122 54.840 0.085 0.000 0.864 163 L CB 0.238 42.360 42.059 0.106 0.000 1.118 163 L HN 0.728 nan 8.230 nan 0.000 0.494 164 R N 3.459 123.985 120.500 0.044 0.000 2.483 164 R HA 0.379 4.719 4.340 -0.001 0.000 0.303 164 R C -1.465 174.877 176.300 0.069 0.000 0.987 164 R CA -0.773 55.362 56.100 0.059 0.000 0.881 164 R CB 1.572 31.853 30.300 -0.031 0.000 1.177 164 R HN 0.713 nan 8.270 nan 0.000 0.451 165 D N 0.450 120.915 120.400 0.109 0.000 2.989 165 D HA -0.020 4.620 4.640 -0.001 0.000 0.284 165 D C 0.603 176.941 176.300 0.062 0.000 1.212 165 D CA -0.666 53.393 54.000 0.097 0.000 1.055 165 D CB 0.090 40.981 40.800 0.151 0.000 1.351 165 D HN 0.366 nan 8.370 nan 0.000 0.611 166 E N -0.593 119.602 120.200 -0.008 0.000 2.511 166 E HA -0.117 4.233 4.350 -0.001 0.000 0.196 166 E C 0.195 176.628 176.600 -0.279 0.000 1.066 166 E CA 0.642 56.942 56.400 -0.167 0.000 0.871 166 E CB -0.416 29.122 29.700 -0.269 0.000 0.863 166 E HN 0.553 nan 8.360 nan 0.000 0.520 167 Y N 0.779 121.101 120.300 0.037 0.000 2.467 167 Y HA 0.233 4.782 4.550 -0.000 0.000 0.250 167 Y C 0.518 176.448 175.900 0.050 0.000 1.155 167 Y CA -0.060 58.062 58.100 0.037 0.000 1.249 167 Y CB 0.969 39.450 38.460 0.035 0.000 1.146 167 Y HN -0.146 nan 8.280 nan 0.000 0.524 168 T N 0.140 114.800 114.554 0.176 0.000 2.799 168 T HA 0.285 4.634 4.350 -0.001 0.000 0.286 168 T C 1.023 175.795 174.700 0.120 0.000 0.973 168 T CA 0.074 62.275 62.100 0.168 0.000 1.035 168 T CB 1.356 70.344 68.868 0.201 0.000 0.932 168 T HN 0.347 nan 8.240 nan 0.000 0.469 169 T N 0.079 114.701 114.554 0.114 0.000 2.993 169 T HA 0.215 4.565 4.350 -0.001 0.000 0.260 169 T C 0.465 175.220 174.700 0.092 0.000 0.939 169 T CA -0.459 61.687 62.100 0.078 0.000 0.886 169 T CB -0.103 68.790 68.868 0.041 0.000 1.209 169 T HN 0.306 nan 8.240 nan 0.000 0.518 170 L N 3.115 124.415 121.223 0.127 0.000 2.499 170 L HA 0.355 4.695 4.340 -0.001 0.000 0.273 170 L C -0.094 176.939 176.870 0.272 0.000 1.195 170 L CA 0.053 54.980 54.840 0.145 0.000 0.882 170 L CB 0.199 42.307 42.059 0.082 0.000 1.133 170 L HN 0.093 nan 8.230 nan 0.000 0.483 171 K N 4.378 124.904 120.400 0.209 0.000 2.185 171 K HA 0.267 4.587 4.320 -0.001 0.000 0.271 171 K C -0.278 176.513 176.600 0.319 0.000 1.013 171 K CA -0.469 55.953 56.287 0.226 0.000 0.943 171 K CB 0.640 33.236 32.500 0.159 0.000 0.998 171 K HN 0.594 nan 8.250 nan 0.000 0.468 172 E N 0.815 121.173 120.200 0.263 0.000 2.390 172 E HA 0.065 4.415 4.350 -0.001 0.000 0.261 172 E C -0.284 176.402 176.600 0.142 0.000 1.076 172 E CA 0.093 56.597 56.400 0.174 0.000 0.905 172 E CB 1.296 30.980 29.700 -0.026 0.000 0.984 172 E HN 0.370 nan 8.360 nan 0.000 0.427 173 T N 1.062 115.585 114.554 -0.051 0.000 2.903 173 T HA 0.308 4.658 4.350 -0.001 0.000 0.299 173 T C -0.991 173.649 174.700 -0.099 0.000 1.093 173 T CA -0.631 61.540 62.100 0.118 0.000 1.002 173 T CB 0.718 69.717 68.868 0.218 0.000 1.127 173 T HN 0.553 nan 8.240 nan 0.000 0.488 174 W N 2.000 123.409 121.300 0.182 0.000 2.653 174 W HA 0.323 4.983 4.660 -0.001 0.000 0.391 174 W C -0.154 176.448 176.519 0.138 0.000 0.962 174 W CA -0.353 57.085 57.345 0.155 0.000 1.900 174 W CB 0.601 30.069 29.460 0.014 0.000 1.176 174 W HN 0.610 nan 8.180 nan 0.000 0.582 175 D N 0.893 121.460 120.400 0.277 0.000 2.726 175 D HA 0.222 4.862 4.640 -0.001 0.000 0.203 175 D C -0.803 175.606 176.300 0.181 0.000 1.297 175 D CA -0.013 54.106 54.000 0.198 0.000 0.863 175 D CB 1.130 42.043 40.800 0.188 0.000 1.669 175 D HN 0.086 nan 8.370 nan 0.000 0.561 176 R N 1.793 122.368 120.500 0.126 0.000 2.728 176 R HA 0.595 4.934 4.340 -0.001 0.000 0.274 176 R C -1.169 175.144 176.300 0.022 0.000 1.032 176 R CA -0.892 55.279 56.100 0.118 0.000 0.866 176 R CB 0.414 30.813 30.300 0.165 0.000 1.263 176 R HN 0.189 nan 8.270 nan 0.000 0.475 177 I N 1.715 122.268 120.570 -0.028 0.000 2.441 177 I HA 0.216 4.386 4.170 -0.001 0.000 0.287 177 I C -0.632 175.448 176.117 -0.062 0.000 1.049 177 I CA -0.781 60.433 61.300 -0.144 0.000 1.381 177 I CB 1.293 39.078 38.000 -0.359 0.000 1.409 177 I HN 0.413 nan 8.210 nan 0.000 0.523 178 L N 7.070 128.253 121.223 -0.065 0.000 2.316 178 L HA 0.536 4.876 4.340 -0.001 0.000 0.280 178 L C -0.521 176.414 176.870 0.107 0.000 1.006 178 L CA 0.300 55.151 54.840 0.018 0.000 0.836 178 L CB 1.303 43.361 42.059 -0.002 0.000 1.221 178 L HN 0.528 nan 8.230 nan 0.000 0.418 179 S N 3.186 118.931 115.700 0.075 0.000 2.536 179 S HA 0.899 5.368 4.470 -0.001 0.000 0.287 179 S C -0.888 173.721 174.600 0.016 0.000 1.101 179 S CA -0.229 58.011 58.200 0.067 0.000 0.950 179 S CB 1.407 64.658 63.200 0.085 0.000 1.056 179 S HN 0.861 nan 8.310 nan 0.000 0.481 180 T N 2.476 117.000 114.554 -0.051 0.000 2.893 180 T HA 0.350 4.699 4.350 -0.001 0.000 0.337 180 T C -2.229 172.401 174.700 -0.117 0.000 1.587 180 T CA -0.612 61.437 62.100 -0.084 0.000 1.066 180 T CB 1.170 69.992 68.868 -0.076 0.000 1.414 180 T HN 0.561 nan 8.240 nan 0.000 0.488 181 D N 1.299 121.651 120.400 -0.080 0.000 2.283 181 D HA 0.572 5.212 4.640 -0.001 0.000 0.248 181 D C -0.362 175.903 176.300 -0.059 0.000 1.072 181 D CA -0.023 53.936 54.000 -0.068 0.000 0.929 181 D CB 1.631 42.405 40.800 -0.043 0.000 1.182 181 D HN 0.296 nan 8.370 nan 0.000 0.433 182 V N 1.917 121.803 119.914 -0.047 0.000 2.448 182 V HA 0.277 4.397 4.120 -0.001 0.000 0.295 182 V C -0.381 175.720 176.094 0.011 0.000 1.025 182 V CA -0.649 61.651 62.300 -0.001 0.000 0.859 182 V CB 1.976 33.797 31.823 -0.003 0.000 0.988 182 V HN 0.439 nan 8.190 nan 0.000 0.431 183 D N 3.805 124.216 120.400 0.018 0.000 2.420 183 D HA 0.589 5.229 4.640 -0.001 0.000 0.255 183 D C -0.537 175.688 176.300 -0.125 0.000 1.185 183 D CA -0.041 53.938 54.000 -0.035 0.000 0.904 183 D CB 1.869 42.650 40.800 -0.031 0.000 1.102 183 D HN 0.694 nan 8.370 nan 0.000 0.534 184 A N 2.538 125.246 122.820 -0.186 0.000 2.318 184 A HA 0.734 5.053 4.320 -0.001 0.000 0.324 184 A C -0.147 177.310 177.584 -0.212 0.000 1.170 184 A CA -0.382 51.403 52.037 -0.421 0.000 0.810 184 A CB 1.417 20.114 19.000 -0.505 0.000 1.198 184 A HN 0.341 nan 8.150 nan 0.000 0.484 185 T N 1.914 116.330 114.554 -0.231 0.000 2.876 185 T HA 0.646 4.996 4.350 -0.001 0.000 0.289 185 T C -1.216 173.452 174.700 -0.052 0.000 1.014 185 T CA -0.094 61.851 62.100 -0.259 0.000 0.986 185 T CB 0.905 69.636 68.868 -0.227 0.000 1.021 185 T HN 0.808 nan 8.240 nan 0.000 0.458 186 W N 1.814 123.008 121.300 -0.177 0.000 2.715 186 W HA 0.714 5.373 4.660 -0.001 0.000 0.331 186 W C -0.636 175.714 176.519 -0.281 0.000 1.031 186 W CA -1.162 56.029 57.345 -0.257 0.000 1.237 186 W CB 0.682 29.937 29.460 -0.342 0.000 1.378 186 W HN 0.539 nan 8.180 nan 0.000 0.454 187 Q N 2.692 122.436 119.800 -0.094 0.000 2.267 187 Q HA 0.356 4.695 4.340 -0.001 0.000 0.255 187 Q C -0.979 174.964 176.000 -0.096 0.000 0.923 187 Q CA -0.192 55.565 55.803 -0.076 0.000 0.925 187 Q CB 1.067 29.782 28.738 -0.038 0.000 1.195 187 Q HN 0.631 nan 8.270 nan 0.000 0.417 188 W N 3.174 124.507 121.300 0.054 0.000 2.359 188 W HA 0.303 4.963 4.660 0.000 0.000 0.344 188 W C 0.140 176.537 176.519 -0.202 0.000 1.170 188 W CA -0.587 56.763 57.345 0.008 0.000 1.296 188 W CB 0.675 30.222 29.460 0.145 0.000 1.197 188 W HN 0.515 nan 8.180 nan 0.000 0.618 189 K N 2.926 123.298 120.400 -0.046 0.000 2.380 189 K HA -0.077 4.243 4.320 -0.001 0.000 0.267 189 K C 0.496 176.812 176.600 -0.473 0.000 0.990 189 K CA -0.437 55.727 56.287 -0.206 0.000 0.946 189 K CB 0.403 32.800 32.500 -0.172 0.000 0.937 189 K HN 0.565 nan 8.250 nan 0.000 0.491 190 N N 2.836 121.370 118.700 -0.276 0.000 2.412 190 N HA -0.048 4.691 4.740 -0.001 0.000 0.258 190 N C -1.271 174.065 175.510 -0.291 0.000 1.236 190 N CA 0.185 53.097 53.050 -0.230 0.000 0.882 190 N CB 0.171 38.615 38.487 -0.072 0.000 1.066 190 N HN 0.299 nan 8.380 nan 0.000 0.465 191 F N 1.041 121.041 119.950 0.083 0.000 2.422 191 F HA 0.191 4.718 4.527 0.000 0.000 0.333 191 F C 1.869 177.705 175.800 0.060 0.000 1.095 191 F CA -0.811 57.235 58.000 0.077 0.000 1.038 191 F CB 1.595 40.643 39.000 0.080 0.000 1.156 191 F HN 0.539 nan 8.300 nan 0.000 0.483 192 S N 0.523 116.383 115.700 0.266 0.000 2.402 192 S HA 0.355 4.825 4.470 -0.001 0.000 0.229 192 S C 0.853 175.528 174.600 0.125 0.000 1.021 192 S CA 0.635 58.927 58.200 0.153 0.000 0.974 192 S CB -0.334 62.938 63.200 0.121 0.000 0.800 192 S HN 0.942 nan 8.310 nan 0.000 0.484 193 G N -0.534 108.346 108.800 0.132 0.000 2.489 193 G HA2 0.464 4.424 3.960 -0.001 0.000 0.305 193 G HA3 0.464 4.424 3.960 -0.001 0.000 0.305 193 G C -0.142 174.783 174.900 0.041 0.000 1.311 193 G CA -0.334 44.811 45.100 0.076 0.000 0.813 193 G HN 0.091 nan 8.290 nan 0.000 0.480 194 L N -0.057 121.173 121.223 0.010 0.000 2.083 194 L HA -0.088 4.251 4.340 -0.001 0.000 0.209 194 L C 2.955 179.802 176.870 -0.038 0.000 1.083 194 L CA 1.583 56.410 54.840 -0.022 0.000 0.752 194 L CB -0.268 41.779 42.059 -0.020 0.000 0.899 194 L HN 0.535 nan 8.230 nan 0.000 0.433 195 Q N -0.129 119.658 119.800 -0.022 0.000 2.061 195 Q HA -0.285 4.055 4.340 -0.001 0.000 0.204 195 Q C 1.949 177.918 176.000 -0.053 0.000 0.984 195 Q CA 1.873 57.657 55.803 -0.032 0.000 0.846 195 Q CB -0.124 28.605 28.738 -0.015 0.000 0.902 195 Q HN 0.567 nan 8.270 nan 0.000 0.421 196 E N -0.504 119.681 120.200 -0.024 0.000 2.051 196 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 196 E C 2.041 178.552 176.600 -0.147 0.000 0.991 196 E CA 1.291 57.681 56.400 -0.016 0.000 0.799 196 E CB 0.178 29.963 29.700 0.142 0.000 0.748 196 E HN 0.116 nan 8.360 nan 0.000 0.449 197 V N 1.270 121.031 119.914 -0.256 0.000 2.282 197 V HA -0.306 3.814 4.120 -0.001 0.000 0.249 197 V C 2.520 178.507 176.094 -0.179 0.000 1.057 197 V CA 2.218 64.276 62.300 -0.404 0.000 1.032 197 V CB -0.639 31.013 31.823 -0.286 0.000 0.645 197 V HN 0.281 nan 8.190 nan 0.000 0.447 198 R N 0.537 120.964 120.500 -0.122 0.000 2.105 198 R HA -0.165 4.174 4.340 -0.001 0.000 0.239 198 R C 2.596 178.822 176.300 -0.123 0.000 1.135 198 R CA 1.798 57.846 56.100 -0.086 0.000 0.967 198 R CB -0.440 29.818 30.300 -0.071 0.000 0.861 198 R HN 0.735 nan 8.270 nan 0.000 0.442 199 S N -1.050 114.536 115.700 -0.191 0.000 2.453 199 S HA -0.104 4.365 4.470 -0.001 0.000 0.231 199 S C 1.197 175.572 174.600 -0.374 0.000 1.005 199 S CA 0.851 58.888 58.200 -0.272 0.000 0.949 199 S CB -0.167 62.841 63.200 -0.320 0.000 0.774 199 S HN 0.463 nan 8.310 nan 0.000 0.510 200 H N -0.031 118.877 119.070 -0.270 0.000 2.517 200 H HA 0.417 4.973 4.556 -0.000 0.000 0.282 200 H C 1.567 176.521 175.328 -0.624 0.000 1.023 200 H CA 0.125 55.921 56.048 -0.421 0.000 1.169 200 H CB 0.282 29.722 29.762 -0.537 0.000 1.454 200 H HN 0.181 nan 8.280 nan 0.000 0.556 201 V N 1.668 121.439 119.914 -0.240 0.000 2.317 201 V HA -0.223 3.897 4.120 -0.001 0.000 0.251 201 V C -0.561 175.477 176.094 -0.095 0.000 1.065 201 V CA 2.000 64.258 62.300 -0.070 0.000 1.049 201 V CB -0.794 31.051 31.823 0.036 0.000 0.651 201 V HN 0.434 nan 8.190 nan 0.000 0.450 202 P HA -0.118 nan 4.420 nan 0.000 0.222 202 P C 1.407 178.687 177.300 -0.034 0.000 1.147 202 P CA 1.192 64.272 63.100 -0.034 0.000 0.790 202 P CB -0.076 31.607 31.700 -0.030 0.000 0.780 203 K N -1.761 118.533 120.400 -0.176 0.000 2.217 203 K HA -0.032 4.288 4.320 -0.001 0.000 0.202 203 K C 1.674 178.314 176.600 0.066 0.000 1.051 203 K CA 0.968 57.197 56.287 -0.097 0.000 0.952 203 K CB -0.423 31.974 32.500 -0.172 0.000 0.736 203 K HN 0.122 nan 8.250 nan 0.000 0.453 204 F N 2.237 122.278 119.950 0.152 0.000 2.031 204 F HA -0.182 4.344 4.527 -0.001 0.000 0.295 204 F C 2.067 178.087 175.800 0.367 0.000 1.133 204 F CA 1.255 59.417 58.000 0.270 0.000 1.188 204 F CB -0.873 38.165 39.000 0.064 0.000 0.974 204 F HN -0.020 nan 8.300 nan 0.000 0.473 205 D N 0.081 120.738 120.400 0.429 0.000 2.149 205 D HA -0.140 4.499 4.640 -0.001 0.000 0.198 205 D C 2.309 178.860 176.300 0.419 0.000 0.990 205 D CA 1.446 55.671 54.000 0.374 0.000 0.839 205 D CB -0.683 40.258 40.800 0.234 0.000 0.948 205 D HN 0.208 nan 8.370 nan 0.000 0.460 206 A N 0.223 123.221 122.820 0.296 0.000 1.865 206 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 206 A C 2.379 180.072 177.584 0.180 0.000 1.191 206 A CA 2.378 54.541 52.037 0.209 0.000 0.623 206 A CB -1.030 18.053 19.000 0.138 0.000 0.826 206 A HN 0.245 nan 8.150 nan 0.000 0.444 207 T N -1.595 113.095 114.554 0.226 0.000 2.746 207 T HA -0.199 4.151 4.350 -0.001 0.000 0.267 207 T C 1.471 176.104 174.700 -0.113 0.000 1.039 207 T CA 1.491 63.611 62.100 0.034 0.000 1.142 207 T CB -0.382 68.541 68.868 0.092 0.000 0.866 207 T HN 0.755 nan 8.240 nan 0.000 0.444 208 W N 2.353 123.695 121.300 0.069 0.000 2.335 208 W HA -0.109 4.551 4.660 -0.001 0.000 0.311 208 W C 2.518 179.033 176.519 -0.007 0.000 1.213 208 W CA 1.258 58.681 57.345 0.130 0.000 1.274 208 W CB -0.658 29.050 29.460 0.414 0.000 1.148 208 W HN 0.228 nan 8.180 nan 0.000 0.498 209 A N 0.154 122.974 122.820 0.001 0.000 1.883 209 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 209 A C 1.937 179.314 177.584 -0.344 0.000 1.186 209 A CA 2.742 54.589 52.037 -0.318 0.000 0.624 209 A CB -1.501 17.523 19.000 0.039 0.000 0.822 209 A HN 0.362 nan 8.150 nan 0.000 0.444 210 T N 0.279 114.693 114.554 -0.234 0.000 2.652 210 T HA -0.088 4.261 4.350 -0.001 0.000 0.267 210 T C 2.239 176.743 174.700 -0.325 0.000 1.039 210 T CA 1.913 63.869 62.100 -0.239 0.000 1.153 210 T CB -0.565 68.180 68.868 -0.205 0.000 0.863 210 T HN 0.641 nan 8.240 nan 0.000 0.428 211 A N 1.441 123.964 122.820 -0.496 0.000 1.908 211 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 211 A C 2.290 179.673 177.584 -0.334 0.000 1.181 211 A CA 2.051 53.783 52.037 -0.507 0.000 0.627 211 A CB -0.613 17.800 19.000 -0.978 0.000 0.818 211 A HN 0.449 nan 8.150 nan 0.000 0.445 212 R N -0.281 119.942 120.500 -0.461 0.000 2.066 212 R HA -0.160 4.179 4.340 -0.001 0.000 0.232 212 R C 2.296 178.450 176.300 -0.244 0.000 1.131 212 R CA 1.695 57.562 56.100 -0.389 0.000 0.955 212 R CB -0.303 29.582 30.300 -0.690 0.000 0.851 212 R HN 0.746 nan 8.270 nan 0.000 0.432 213 E N -0.052 120.001 120.200 -0.246 0.000 2.077 213 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 213 E C 1.819 178.360 176.600 -0.099 0.000 0.989 213 E CA 1.433 57.745 56.400 -0.148 0.000 0.800 213 E CB 0.071 29.691 29.700 -0.133 0.000 0.746 213 E HN 0.227 nan 8.360 nan 0.000 0.452 214 V N 1.055 120.902 119.914 -0.111 0.000 2.295 214 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 214 V C 2.458 178.531 176.094 -0.036 0.000 1.049 214 V CA 2.198 64.454 62.300 -0.074 0.000 1.024 214 V CB -0.748 31.021 31.823 -0.090 0.000 0.648 214 V HN 0.399 nan 8.190 nan 0.000 0.447 215 T N 0.316 114.857 114.554 -0.022 0.000 2.684 215 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 215 T C 1.849 176.569 174.700 0.033 0.000 1.036 215 T CA 1.544 63.660 62.100 0.027 0.000 1.148 215 T CB -0.302 68.609 68.868 0.072 0.000 0.863 215 T HN 0.125 nan 8.240 nan 0.000 0.436 216 L N 1.086 122.310 121.223 0.002 0.000 2.027 216 L HA 0.030 4.370 4.340 -0.001 0.000 0.206 216 L C 2.394 179.310 176.870 0.077 0.000 1.074 216 L CA 1.712 56.572 54.840 0.034 0.000 0.745 216 L CB -1.006 41.047 42.059 -0.009 0.000 0.898 216 L HN 0.226 nan 8.230 nan 0.000 0.433 217 K N -1.000 119.416 120.400 0.027 0.000 2.002 217 K HA -0.166 4.154 4.320 -0.001 0.000 0.209 217 K C 1.953 178.568 176.600 0.026 0.000 1.048 217 K CA 2.044 58.342 56.287 0.018 0.000 0.930 217 K CB -0.202 32.292 32.500 -0.010 0.000 0.714 217 K HN 0.253 nan 8.250 nan 0.000 0.438 218 T N 0.713 115.282 114.554 0.024 0.000 2.652 218 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 218 T C 1.452 176.173 174.700 0.034 0.000 1.039 218 T CA 1.537 63.645 62.100 0.012 0.000 1.153 218 T CB -0.523 68.340 68.868 -0.009 0.000 0.863 218 T HN 0.324 nan 8.240 nan 0.000 0.428 219 F N 2.298 122.213 119.950 -0.059 0.000 2.091 219 F HA -0.128 4.399 4.527 -0.001 0.000 0.299 219 F C 2.441 178.216 175.800 -0.042 0.000 1.103 219 F CA 1.251 59.219 58.000 -0.054 0.000 1.228 219 F CB -0.620 38.350 39.000 -0.050 0.000 0.984 219 F HN 0.151 nan 8.300 nan 0.000 0.477 220 A N -0.438 122.385 122.820 0.005 0.000 1.929 220 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 220 A C 2.097 179.611 177.584 -0.117 0.000 1.176 220 A CA 1.670 53.658 52.037 -0.082 0.000 0.628 220 A CB -0.644 18.379 19.000 0.039 0.000 0.816 220 A HN 0.563 nan 8.150 nan 0.000 0.444 221 E N -0.384 119.772 120.200 -0.074 0.000 2.190 221 E HA -0.029 4.321 4.350 -0.001 0.000 0.191 221 E C -0.167 176.390 176.600 -0.072 0.000 0.978 221 E CA 0.025 56.388 56.400 -0.061 0.000 0.839 221 E CB 0.024 29.704 29.700 -0.032 0.000 0.787 221 E HN 0.489 nan 8.360 nan 0.000 0.473 222 D N 1.429 121.775 120.400 -0.089 0.000 2.434 222 D HA -0.043 4.597 4.640 -0.001 0.000 0.252 222 D C -0.471 175.772 176.300 -0.095 0.000 1.185 222 D CA 0.235 54.188 54.000 -0.079 0.000 0.886 222 D CB 0.324 41.079 40.800 -0.074 0.000 1.148 222 D HN -0.103 nan 8.370 nan 0.000 0.483 223 N N 2.875 121.547 118.700 -0.047 0.000 2.817 223 N HA 0.146 4.886 4.740 -0.001 0.000 0.234 223 N C -1.542 173.971 175.510 0.005 0.000 1.066 223 N CA -0.239 52.796 53.050 -0.025 0.000 0.926 223 N CB 0.354 38.844 38.487 0.005 0.000 1.176 223 N HN 0.186 nan 8.380 nan 0.000 0.506 224 S N 0.904 116.596 115.700 -0.014 0.000 2.638 224 S HA 0.778 5.248 4.470 -0.001 0.000 0.302 224 S C 0.053 174.661 174.600 0.014 0.000 1.096 224 S CA -0.509 57.694 58.200 0.004 0.000 0.953 224 S CB 1.304 64.492 63.200 -0.020 0.000 1.107 224 S HN 0.453 nan 8.310 nan 0.000 0.503 225 A N 1.473 124.290 122.820 -0.005 0.000 2.574 225 A HA 0.597 4.916 4.320 -0.001 0.000 0.283 225 A C 0.188 177.748 177.584 -0.039 0.000 1.270 225 A CA -0.085 51.920 52.037 -0.054 0.000 0.945 225 A CB -0.293 18.549 19.000 -0.264 0.000 1.127 225 A HN 0.782 nan 8.150 nan 0.000 0.522 226 S N -0.744 114.942 115.700 -0.022 0.000 2.614 226 S HA 0.289 4.759 4.470 -0.001 0.000 0.259 226 S C 0.657 175.237 174.600 -0.033 0.000 1.118 226 S CA -0.224 57.968 58.200 -0.013 0.000 1.065 226 S CB 0.677 63.857 63.200 -0.033 0.000 1.121 226 S HN 0.207 nan 8.310 nan 0.000 0.458 227 V N 5.161 125.041 119.914 -0.056 0.000 2.332 227 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 227 V C 2.530 178.605 176.094 -0.032 0.000 1.055 227 V CA 2.391 64.663 62.300 -0.047 0.000 1.038 227 V CB -0.745 31.036 31.823 -0.069 0.000 0.651 227 V HN 0.853 nan 8.190 nan 0.000 0.450 228 Q N 0.136 119.919 119.800 -0.029 0.000 2.112 228 Q HA -0.199 4.141 4.340 -0.001 0.000 0.206 228 Q C 2.312 178.316 176.000 0.007 0.000 0.987 228 Q CA 2.217 58.015 55.803 -0.009 0.000 0.858 228 Q CB -0.685 28.048 28.738 -0.009 0.000 0.905 228 Q HN 0.681 nan 8.270 nan 0.000 0.420 229 A N -0.355 122.459 122.820 -0.010 0.000 1.930 229 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 229 A C 2.208 179.808 177.584 0.027 0.000 1.175 229 A CA 1.796 53.834 52.037 0.002 0.000 0.627 229 A CB -0.763 18.221 19.000 -0.026 0.000 0.815 229 A HN 0.376 nan 8.150 nan 0.000 0.443 230 T N 0.901 115.450 114.554 -0.009 0.000 2.737 230 T HA -0.154 4.195 4.350 -0.001 0.000 0.265 230 T C 2.038 176.691 174.700 -0.078 0.000 1.038 230 T CA 1.820 63.904 62.100 -0.028 0.000 1.144 230 T CB -0.409 68.445 68.868 -0.024 0.000 0.866 230 T HN 0.726 nan 8.240 nan 0.000 0.434 231 M N -0.115 119.416 119.600 -0.113 0.000 2.213 231 M HA -0.052 4.427 4.480 -0.001 0.000 0.263 231 M C 2.231 178.392 176.300 -0.232 0.000 1.062 231 M CA 1.712 56.832 55.300 -0.300 0.000 1.105 231 M CB -0.928 31.508 32.600 -0.274 0.000 1.385 231 M HN 0.212 nan 8.290 nan 0.000 0.417 232 Y N 1.980 122.191 120.300 -0.148 0.000 2.181 232 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 232 Y C 2.147 177.997 175.900 -0.084 0.000 1.146 232 Y CA 1.907 59.956 58.100 -0.086 0.000 1.164 232 Y CB -0.135 38.295 38.460 -0.050 0.000 0.982 232 Y HN 0.207 nan 8.280 nan 0.000 0.515 233 K N -0.423 119.997 120.400 0.032 0.000 2.097 233 K HA -0.204 4.116 4.320 -0.001 0.000 0.206 233 K C 2.098 178.618 176.600 -0.132 0.000 1.049 233 K CA 1.841 58.108 56.287 -0.033 0.000 0.933 233 K CB -0.240 32.267 32.500 0.011 0.000 0.717 233 K HN 0.397 nan 8.250 nan 0.000 0.442 234 M N 0.489 119.978 119.600 -0.185 0.000 2.067 234 M HA -0.190 4.290 4.480 -0.001 0.000 0.260 234 M C 2.418 178.641 176.300 -0.129 0.000 1.069 234 M CA 1.821 57.002 55.300 -0.198 0.000 1.117 234 M CB -0.323 32.010 32.600 -0.445 0.000 1.334 234 M HN 0.236 nan 8.290 nan 0.000 0.407 235 A N -0.153 122.572 122.820 -0.158 0.000 1.908 235 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 235 A C 1.926 179.398 177.584 -0.187 0.000 1.181 235 A CA 2.020 54.014 52.037 -0.071 0.000 0.627 235 A CB -0.855 18.082 19.000 -0.106 0.000 0.818 235 A HN 0.553 nan 8.150 nan 0.000 0.445 236 E N -0.455 119.555 120.200 -0.318 0.000 2.033 236 E HA -0.273 4.077 4.350 -0.001 0.000 0.199 236 E C 2.338 178.848 176.600 -0.149 0.000 1.011 236 E CA 1.724 57.964 56.400 -0.266 0.000 0.815 236 E CB -0.247 29.298 29.700 -0.258 0.000 0.755 236 E HN 0.776 nan 8.360 nan 0.000 0.451 237 Q N 0.108 119.834 119.800 -0.122 0.000 2.135 237 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 237 Q C 2.258 178.193 176.000 -0.109 0.000 0.981 237 Q CA 1.225 56.971 55.803 -0.096 0.000 0.856 237 Q CB -0.214 28.475 28.738 -0.081 0.000 0.902 237 Q HN 0.398 nan 8.270 nan 0.000 0.425 238 I N 0.303 120.800 120.570 -0.122 0.000 2.315 238 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 238 I C 2.035 178.054 176.117 -0.162 0.000 1.117 238 I CA 0.947 62.150 61.300 -0.163 0.000 1.404 238 I CB -0.173 37.723 38.000 -0.173 0.000 1.071 238 I HN 0.173 nan 8.210 nan 0.000 0.419 239 L N 0.463 121.607 121.223 -0.131 0.000 2.217 239 L HA -0.083 4.257 4.340 -0.001 0.000 0.211 239 L C 2.780 179.595 176.870 -0.091 0.000 1.107 239 L CA 0.931 55.702 54.840 -0.115 0.000 0.783 239 L CB -0.507 41.490 42.059 -0.103 0.000 0.919 239 L HN 0.210 nan 8.230 nan 0.000 0.442 240 A N 0.070 122.839 122.820 -0.085 0.000 1.897 240 A HA -0.125 4.195 4.320 -0.001 0.000 0.215 240 A C 2.322 179.871 177.584 -0.059 0.000 1.181 240 A CA 1.023 53.023 52.037 -0.062 0.000 0.620 240 A CB -0.300 18.668 19.000 -0.055 0.000 0.821 240 A HN 0.284 nan 8.150 nan 0.000 0.443 241 R N -1.320 119.134 120.500 -0.077 0.000 2.236 241 R HA 0.002 4.342 4.340 -0.001 0.000 0.208 241 R C 0.260 176.521 176.300 -0.065 0.000 1.036 241 R CA 0.862 56.920 56.100 -0.070 0.000 1.001 241 R CB -0.003 30.245 30.300 -0.087 0.000 0.896 241 R HN 0.506 nan 8.270 nan 0.000 0.464 242 Q N 0.268 120.017 119.800 -0.085 0.000 2.414 242 Q HA 0.073 4.413 4.340 -0.001 0.000 0.256 242 Q C -0.020 175.947 176.000 -0.054 0.000 0.974 242 Q CA -0.204 55.559 55.803 -0.066 0.000 0.723 242 Q CB 1.835 30.498 28.738 -0.125 0.000 1.281 242 Q HN -0.143 nan 8.270 nan 0.000 0.470 243 Q N 3.370 123.166 119.800 -0.007 0.000 2.167 243 Q HA 0.043 4.383 4.340 -0.001 0.000 0.202 243 Q C 0.709 176.719 176.000 0.016 0.000 0.970 243 Q CA 1.466 57.270 55.803 0.001 0.000 0.855 243 Q CB 0.112 28.861 28.738 0.018 0.000 0.911 243 Q HN 0.865 nan 8.270 nan 0.000 0.438 244 L N 0.349 121.613 121.223 0.069 0.000 2.551 244 L HA -0.003 4.337 4.340 -0.001 0.000 0.228 244 L C 0.013 176.944 176.870 0.102 0.000 1.153 244 L CA -0.172 54.751 54.840 0.139 0.000 0.851 244 L CB -0.080 42.163 42.059 0.306 0.000 0.959 244 L HN 0.220 nan 8.230 nan 0.000 0.451 245 I N -0.155 120.374 120.570 -0.069 0.000 2.396 245 I HA 0.045 4.214 4.170 -0.001 0.000 0.292 245 I C 1.308 177.366 176.117 -0.098 0.000 0.999 245 I CA 0.263 61.448 61.300 -0.192 0.000 1.310 245 I CB 1.373 39.186 38.000 -0.312 0.000 1.404 245 I HN 0.093 nan 8.210 nan 0.000 0.496 246 E N 2.428 122.579 120.200 -0.082 0.000 2.244 246 E HA 0.046 4.396 4.350 -0.001 0.000 0.196 246 E C -0.093 176.479 176.600 -0.047 0.000 0.939 246 E CA 0.604 56.973 56.400 -0.051 0.000 0.884 246 E CB 0.666 30.343 29.700 -0.038 0.000 0.850 246 E HN 0.778 nan 8.360 nan 0.000 0.481 247 T N -1.843 112.681 114.554 -0.050 0.000 2.982 247 T HA 0.506 4.856 4.350 -0.001 0.000 0.321 247 T C -0.799 173.889 174.700 -0.019 0.000 1.229 247 T CA -0.872 61.209 62.100 -0.032 0.000 1.044 247 T CB 1.976 70.832 68.868 -0.020 0.000 1.184 247 T HN -0.184 nan 8.240 nan 0.000 0.477 248 V N 2.283 122.196 119.914 -0.002 0.000 2.555 248 V HA 0.707 4.826 4.120 -0.001 0.000 0.302 248 V C -0.180 175.936 176.094 0.037 0.000 1.038 248 V CA -0.649 61.667 62.300 0.026 0.000 0.887 248 V CB 1.544 33.396 31.823 0.049 0.000 0.991 248 V HN 1.067 nan 8.190 nan 0.000 0.434 249 E N 3.301 123.487 120.200 -0.023 0.000 2.224 249 E HA 0.527 4.877 4.350 -0.001 0.000 0.265 249 E C -2.064 174.476 176.600 -0.099 0.000 0.878 249 E CA -0.540 55.856 56.400 -0.006 0.000 0.759 249 E CB 1.753 31.436 29.700 -0.030 0.000 1.164 249 E HN 0.622 nan 8.360 nan 0.000 0.414 250 Y N 1.520 121.829 120.300 0.015 0.000 2.468 250 Y HA 0.420 4.970 4.550 -0.001 0.000 0.342 250 Y C -0.071 175.831 175.900 0.002 0.000 1.021 250 Y CA -0.555 57.553 58.100 0.013 0.000 1.079 250 Y CB 2.472 40.940 38.460 0.013 0.000 1.226 250 Y HN 0.417 nan 8.280 nan 0.000 0.460 251 S N 4.464 120.250 115.700 0.143 0.000 2.721 251 S HA 0.527 4.996 4.470 -0.001 0.000 0.264 251 S C -1.776 172.863 174.600 0.066 0.000 1.161 251 S CA -0.639 57.605 58.200 0.073 0.000 1.113 251 S CB -0.146 63.065 63.200 0.019 0.000 1.079 251 S HN 0.609 nan 8.310 nan 0.000 0.479 252 L N 5.946 127.202 121.223 0.056 0.000 2.277 252 L HA 0.501 4.841 4.340 -0.001 0.000 0.284 252 L C -2.482 174.378 176.870 -0.017 0.000 1.028 252 L CA -2.147 52.705 54.840 0.021 0.000 0.835 252 L CB 1.606 43.677 42.059 0.020 0.000 1.215 252 L HN 0.429 nan 8.230 nan 0.000 0.425 253 P HA 0.222 nan 4.420 nan 0.000 0.288 253 P C -0.736 176.514 177.300 -0.082 0.000 1.363 253 P CA -0.544 62.527 63.100 -0.048 0.000 0.837 253 P CB 0.621 32.297 31.700 -0.039 0.000 0.981 254 N N 2.863 121.488 118.700 -0.126 0.000 2.453 254 N HA 0.136 4.876 4.740 -0.001 0.000 0.253 254 N C 0.024 175.363 175.510 -0.284 0.000 1.252 254 N CA 0.333 53.251 53.050 -0.219 0.000 0.917 254 N CB 0.401 38.686 38.487 -0.336 0.000 1.117 254 N HN 0.251 nan 8.380 nan 0.000 0.442 255 K N 1.605 121.851 120.400 -0.257 0.000 2.535 255 K HA 0.286 4.605 4.320 -0.001 0.000 0.253 255 K C -0.951 175.557 176.600 -0.154 0.000 0.953 255 K CA -0.666 55.510 56.287 -0.185 0.000 0.863 255 K CB 1.278 33.770 32.500 -0.014 0.000 1.111 255 K HN 0.512 nan 8.250 nan 0.000 0.431 256 H N 1.754 120.800 119.070 -0.041 0.000 2.562 256 H HA 0.175 4.731 4.556 -0.000 0.000 0.352 256 H C -0.751 174.496 175.328 -0.135 0.000 1.125 256 H CA 0.128 56.168 56.048 -0.013 0.000 1.379 256 H CB 0.792 30.494 29.762 -0.100 0.000 1.464 256 H HN 0.458 nan 8.280 nan 0.000 0.563 257 Y N 1.860 122.236 120.300 0.127 0.000 2.349 257 Y HA 0.152 4.702 4.550 -0.001 0.000 0.324 257 Y C -0.562 175.626 175.900 0.480 0.000 1.005 257 Y CA -0.687 57.510 58.100 0.160 0.000 1.240 257 Y CB 0.481 38.996 38.460 0.091 0.000 1.117 257 Y HN 0.389 nan 8.280 nan 0.000 0.463 258 F N 1.674 121.829 119.950 0.341 0.000 2.382 258 F HA 0.295 4.821 4.527 -0.000 0.000 0.331 258 F C 0.968 176.908 175.800 0.232 0.000 1.121 258 F CA -1.487 56.670 58.000 0.262 0.000 1.183 258 F CB 0.688 39.764 39.000 0.126 0.000 1.207 258 F HN 0.418 nan 8.300 nan 0.000 0.555 259 E N 1.697 122.053 120.200 0.260 0.000 2.374 259 E HA 0.322 4.672 4.350 -0.001 0.000 0.260 259 E C -0.748 175.829 176.600 -0.038 0.000 1.101 259 E CA -0.249 56.063 56.400 -0.146 0.000 0.907 259 E CB 1.174 30.807 29.700 -0.111 0.000 1.014 259 E HN 0.368 nan 8.360 nan 0.000 0.427 260 I N 2.111 122.608 120.570 -0.122 0.000 2.420 260 I HA 0.061 4.231 4.170 -0.001 0.000 0.282 260 I C -0.384 175.744 176.117 0.018 0.000 1.019 260 I CA -0.643 60.661 61.300 0.005 0.000 1.130 260 I CB 1.244 39.260 38.000 0.026 0.000 1.262 260 I HN 0.336 nan 8.210 nan 0.000 0.454 261 D N 7.141 127.588 120.400 0.079 0.000 2.382 261 D HA 0.135 4.775 4.640 -0.001 0.000 0.259 261 D C 0.311 176.729 176.300 0.196 0.000 1.224 261 D CA 0.486 54.553 54.000 0.111 0.000 0.894 261 D CB 1.016 41.898 40.800 0.137 0.000 1.127 261 D HN 0.450 nan 8.370 nan 0.000 0.487 262 L N 2.803 124.047 121.223 0.035 0.000 3.014 262 L HA 0.041 4.381 4.340 -0.001 0.000 0.263 262 L C 2.044 178.694 176.870 -0.367 0.000 1.207 262 L CA -0.165 54.560 54.840 -0.192 0.000 1.017 262 L CB 0.185 42.133 42.059 -0.186 0.000 1.360 262 L HN 0.295 nan 8.230 nan 0.000 0.560 263 S N 0.072 115.700 115.700 -0.120 0.000 2.419 263 S HA -0.181 4.289 4.470 -0.001 0.000 0.233 263 S C 1.703 176.257 174.600 -0.077 0.000 1.016 263 S CA 0.636 58.790 58.200 -0.076 0.000 0.974 263 S CB -0.536 62.678 63.200 0.024 0.000 0.786 263 S HN 0.714 nan 8.310 nan 0.000 0.492 264 W N 2.040 123.370 121.300 0.050 0.000 2.538 264 W HA 0.128 4.787 4.660 -0.001 0.000 0.254 264 W C 0.601 177.167 176.519 0.077 0.000 1.249 264 W CA 0.493 57.868 57.345 0.050 0.000 1.253 264 W CB -1.063 28.427 29.460 0.049 0.000 1.130 264 W HN 0.474 nan 8.180 nan 0.000 0.618 265 H N 1.733 120.317 119.070 -0.809 0.000 2.673 265 H HA 0.245 4.801 4.556 -0.000 0.000 0.293 265 H C 0.627 175.737 175.328 -0.363 0.000 1.065 265 H CA -0.665 54.963 56.048 -0.701 0.000 1.236 265 H CB 0.133 29.153 29.762 -1.237 0.000 1.389 265 H HN -0.029 nan 8.280 nan 0.000 0.481 266 K N 3.679 123.790 120.400 -0.482 0.000 3.016 266 K HA -0.224 4.096 4.320 -0.001 0.000 0.262 266 K C 0.826 177.321 176.600 -0.175 0.000 1.043 266 K CA 0.728 56.822 56.287 -0.322 0.000 0.761 266 K CB -1.636 30.633 32.500 -0.385 0.000 1.230 266 K HN 1.119 nan 8.250 nan 0.000 0.485 267 G N 0.414 109.128 108.800 -0.143 0.000 2.283 267 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.280 267 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.280 267 G C 0.047 174.897 174.900 -0.084 0.000 1.029 267 G CA 0.246 45.293 45.100 -0.088 0.000 0.840 267 G HN 0.255 nan 8.290 nan 0.000 0.505 268 L N 0.315 121.470 121.223 -0.113 0.000 2.499 268 L HA 0.313 4.652 4.340 -0.001 0.000 0.273 268 L C 0.461 177.287 176.870 -0.072 0.000 1.195 268 L CA 0.139 54.928 54.840 -0.085 0.000 0.882 268 L CB 0.772 42.772 42.059 -0.098 0.000 1.133 268 L HN 0.284 nan 8.230 nan 0.000 0.483 269 Q N 4.144 123.917 119.800 -0.044 0.000 2.360 269 Q HA 0.233 4.572 4.340 -0.001 0.000 0.254 269 Q C -0.143 175.839 176.000 -0.029 0.000 0.975 269 Q CA 0.090 55.875 55.803 -0.030 0.000 0.912 269 Q CB 0.865 29.593 28.738 -0.016 0.000 1.212 269 Q HN 0.563 nan 8.270 nan 0.000 0.452 270 N N 0.967 119.645 118.700 -0.038 0.000 2.307 270 N HA 0.022 4.762 4.740 -0.001 0.000 0.248 270 N C -1.147 174.310 175.510 -0.088 0.000 1.322 270 N CA 0.066 53.080 53.050 -0.060 0.000 0.861 270 N CB 0.865 39.307 38.487 -0.075 0.000 1.303 270 N HN 0.487 nan 8.380 nan 0.000 0.498 271 T N -3.992 110.537 114.554 -0.041 0.000 2.930 271 T HA 0.772 5.122 4.350 -0.001 0.000 0.290 271 T C 0.987 175.699 174.700 0.020 0.000 1.052 271 T CA -0.105 61.979 62.100 -0.027 0.000 1.017 271 T CB 1.702 70.568 68.868 -0.003 0.000 1.137 271 T HN 0.216 nan 8.240 nan 0.000 0.511 272 G N 1.836 110.670 108.800 0.056 0.000 2.622 272 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.307 272 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.307 272 G C 0.730 175.690 174.900 0.100 0.000 1.226 272 G CA 0.709 45.864 45.100 0.091 0.000 0.997 272 G HN 0.952 nan 8.290 nan 0.000 0.551 273 K N 1.063 121.510 120.400 0.078 0.000 2.442 273 K HA 0.060 4.380 4.320 -0.001 0.000 0.198 273 K C 1.927 178.568 176.600 0.068 0.000 1.042 273 K CA 1.397 57.728 56.287 0.074 0.000 0.958 273 K CB -0.176 32.354 32.500 0.051 0.000 0.766 273 K HN 0.463 nan 8.250 nan 0.000 0.474 274 N N -0.300 118.432 118.700 0.054 0.000 2.205 274 N HA 0.113 4.853 4.740 -0.001 0.000 0.201 274 N C -0.653 174.883 175.510 0.044 0.000 1.128 274 N CA -0.135 52.940 53.050 0.042 0.000 0.867 274 N CB 0.881 39.379 38.487 0.019 0.000 0.996 274 N HN 0.025 nan 8.380 nan 0.000 0.503 275 A N 0.942 123.795 122.820 0.054 0.000 2.537 275 A HA 0.015 4.335 4.320 -0.001 0.000 0.260 275 A C 0.753 178.444 177.584 0.178 0.000 1.082 275 A CA 0.521 52.559 52.037 0.001 0.000 0.765 275 A CB 0.121 19.117 19.000 -0.007 0.000 1.019 275 A HN 0.335 nan 8.150 nan 0.000 0.507 276 E N 1.621 121.891 120.200 0.117 0.000 2.406 276 E HA 0.135 4.485 4.350 -0.001 0.000 0.204 276 E C -0.481 176.306 176.600 0.311 0.000 0.820 276 E CA 0.108 56.646 56.400 0.229 0.000 1.136 276 E CB 0.695 30.465 29.700 0.115 0.000 1.129 276 E HN 0.498 nan 8.360 nan 0.000 0.530 277 V N 2.295 122.295 119.914 0.143 0.000 2.427 277 V HA 0.335 4.455 4.120 -0.001 0.000 0.286 277 V C -0.842 175.312 176.094 0.099 0.000 1.034 277 V CA -0.246 62.169 62.300 0.191 0.000 0.893 277 V CB 0.774 32.649 31.823 0.087 0.000 0.982 277 V HN 0.036 nan 8.190 nan 0.000 0.452 278 F N 1.826 121.860 119.950 0.139 0.000 2.611 278 F HA 0.797 5.324 4.527 -0.000 0.000 0.324 278 F C 0.317 176.215 175.800 0.165 0.000 1.061 278 F CA -1.054 57.057 58.000 0.186 0.000 0.954 278 F CB 1.906 41.062 39.000 0.261 0.000 1.301 278 F HN 0.445 nan 8.300 nan 0.000 0.482 279 A N 2.531 125.548 122.820 0.330 0.000 2.316 279 A HA 0.699 5.019 4.320 -0.001 0.000 0.324 279 A C -2.788 174.779 177.584 -0.029 0.000 1.375 279 A CA -1.713 50.411 52.037 0.144 0.000 0.882 279 A CB -0.142 18.930 19.000 0.120 0.000 1.152 279 A HN 0.341 nan 8.150 nan 0.000 0.512 280 P HA 0.122 nan 4.420 nan 0.000 0.268 280 P C -0.660 176.374 177.300 -0.443 0.000 1.204 280 P CA 0.298 63.016 63.100 -0.638 0.000 0.768 280 P CB 0.581 31.943 31.700 -0.564 0.000 0.842 281 Q N 1.792 121.278 119.800 -0.525 0.000 2.325 281 Q HA 0.233 4.573 4.340 -0.001 0.000 0.262 281 Q C 0.797 176.643 176.000 -0.256 0.000 0.968 281 Q CA -0.260 55.313 55.803 -0.384 0.000 0.877 281 Q CB 1.632 30.048 28.738 -0.537 0.000 1.253 281 Q HN 0.370 nan 8.270 nan 0.000 0.448 282 S N 2.060 117.658 115.700 -0.170 0.000 2.368 282 S HA -0.125 4.345 4.470 -0.001 0.000 0.224 282 S C 0.261 174.813 174.600 -0.080 0.000 1.029 282 S CA 1.603 59.736 58.200 -0.112 0.000 0.988 282 S CB 0.071 63.224 63.200 -0.078 0.000 0.838 282 S HN 0.800 nan 8.310 nan 0.000 0.462 283 D N -0.821 119.538 120.400 -0.068 0.000 2.622 283 D HA 0.498 5.138 4.640 -0.001 0.000 0.255 283 D C -2.902 173.388 176.300 -0.017 0.000 1.246 283 D CA -1.485 52.499 54.000 -0.027 0.000 0.795 283 D CB 0.469 41.259 40.800 -0.017 0.000 1.369 283 D HN -0.036 nan 8.370 nan 0.000 0.425 284 P HA 0.365 nan 4.420 nan 0.000 0.323 284 P C -1.037 176.326 177.300 0.105 0.000 1.309 284 P CA -0.591 62.533 63.100 0.040 0.000 0.739 284 P CB 0.365 32.088 31.700 0.040 0.000 1.454 285 N N -2.795 115.972 118.700 0.111 0.000 2.484 285 N HA 0.289 5.029 4.740 -0.001 0.000 0.269 285 N C -0.571 175.017 175.510 0.130 0.000 1.237 285 N CA -0.687 52.454 53.050 0.151 0.000 0.838 285 N CB 1.408 39.894 38.487 -0.003 0.000 1.593 285 N HN 0.467 nan 8.380 nan 0.000 0.485 286 G N 0.126 109.021 108.800 0.159 0.000 2.432 286 G HA2 0.447 4.407 3.960 -0.001 0.000 0.257 286 G HA3 0.447 4.407 3.960 -0.001 0.000 0.257 286 G C -0.876 174.016 174.900 -0.014 0.000 1.238 286 G CA -0.331 44.810 45.100 0.068 0.000 0.838 286 G HN 0.464 nan 8.290 nan 0.000 0.547 287 L N 2.585 123.803 121.223 -0.010 0.000 2.372 287 L HA 0.638 4.978 4.340 -0.001 0.000 0.274 287 L C -0.794 176.069 176.870 -0.013 0.000 0.988 287 L CA -0.794 54.037 54.840 -0.015 0.000 0.833 287 L CB 1.481 43.536 42.059 -0.007 0.000 1.236 287 L HN 0.423 nan 8.230 nan 0.000 0.410 288 I N 5.006 125.569 120.570 -0.012 0.000 2.389 288 I HA 0.465 4.635 4.170 -0.001 0.000 0.288 288 I C -0.192 175.939 176.117 0.024 0.000 0.999 288 I CA -0.447 60.852 61.300 -0.002 0.000 1.129 288 I CB 1.409 39.399 38.000 -0.016 0.000 1.288 288 I HN 0.476 nan 8.210 nan 0.000 0.444 289 K N 4.519 124.936 120.400 0.029 0.000 2.267 289 K HA 0.823 5.143 4.320 -0.001 0.000 0.246 289 K C -1.437 175.200 176.600 0.061 0.000 0.954 289 K CA -0.769 55.545 56.287 0.046 0.000 0.824 289 K CB 2.523 35.040 32.500 0.028 0.000 1.167 289 K HN 0.618 nan 8.250 nan 0.000 0.431 290 C N 1.275 120.626 119.300 0.086 0.000 3.050 290 C HA 0.297 4.757 4.460 -0.001 0.000 0.416 290 C C -1.317 173.738 174.990 0.109 0.000 0.994 290 C CA -0.316 58.763 59.018 0.101 0.000 1.222 290 C CB 0.935 28.749 27.740 0.124 0.000 1.612 290 C HN 0.823 nan 8.230 nan 0.000 0.550 291 T N 5.309 119.912 114.554 0.082 0.000 2.809 291 T HA 0.529 4.879 4.350 -0.001 0.000 0.296 291 T C -0.285 174.456 174.700 0.068 0.000 1.015 291 T CA -0.264 61.873 62.100 0.063 0.000 0.954 291 T CB 1.052 69.940 68.868 0.033 0.000 0.950 291 T HN 0.590 nan 8.240 nan 0.000 0.450 292 V N 3.020 122.969 119.914 0.058 0.000 2.472 292 V HA 0.857 4.977 4.120 -0.001 0.000 0.290 292 V C 0.790 176.887 176.094 0.006 0.000 1.037 292 V CA -0.434 61.887 62.300 0.035 0.000 0.908 292 V CB 1.708 33.502 31.823 -0.048 0.000 0.985 292 V HN 0.974 nan 8.190 nan 0.000 0.454 293 G N 3.743 112.551 108.800 0.014 0.000 3.211 293 G HA2 0.662 4.622 3.960 -0.001 0.000 0.262 293 G HA3 0.662 4.622 3.960 -0.001 0.000 0.262 293 G C -0.948 173.950 174.900 -0.003 0.000 1.352 293 G CA -1.058 44.042 45.100 -0.000 0.000 1.004 293 G HN 0.579 nan 8.290 nan 0.000 0.559 294 R N -0.002 120.495 120.500 -0.005 0.000 2.474 294 R HA 0.565 4.905 4.340 -0.001 0.000 0.295 294 R C 0.303 176.610 176.300 0.010 0.000 0.980 294 R CA -0.397 55.702 56.100 -0.003 0.000 0.934 294 R CB 1.680 31.974 30.300 -0.011 0.000 1.101 294 R HN 0.439 nan 8.270 nan 0.000 0.469 295 S N 0.000 115.710 115.700 0.017 0.000 2.498 295 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 295 S CA 0.000 58.212 58.200 0.021 0.000 1.107 295 S CB 0.000 63.215 63.200 0.024 0.000 0.593 295 S HN 0.000 nan 8.310 nan 0.000 0.517