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 1af6_1_A DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQTTGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVAQ QNDWEATDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGLE NIDVGFGKLS LAATRSSEAG DATA SEQUENCE GSSSFASNNI YDYTNETAND VFDVRLAQME INPGGTLELG VDYGRANLRD DATA SEQUENCE NYRLVDGASK DGWLFTAEHT QSVLKGFNKF VVQYATDSMT SQGKGLSQGS DATA SEQUENCE GVAFDNEKFA YNINNNGHML RILDHGAISM GDNWDMMYVG MYQDINWDND DATA SEQUENCE NGTKWWTVGI RPMYKWTPIM STVMEIGYDN VESQRTGDKN NQYKITLAQQ DATA SEQUENCE WQAGDSIWSR PAIRVFATYA KWDEKWGYDY TGNADNNANF GKAVPADFNG DATA SEQUENCE GSFGRGDSDE WTFGAQMEIW W 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.145 176.094 0.086 0.000 1.182 1 V CA 0.000 62.339 62.300 0.065 0.000 1.235 1 V CB 0.000 31.855 31.823 0.054 0.000 1.184 2 D N 5.872 126.333 120.400 0.102 0.000 2.225 2 D HA 0.386 5.027 4.640 0.001 0.000 0.248 2 D C -0.765 175.576 176.300 0.069 0.000 1.096 2 D CA 0.212 54.254 54.000 0.069 0.000 0.863 2 D CB 1.703 42.616 40.800 0.188 0.000 1.156 2 D HN 0.382 nan 8.370 nan 0.000 0.450 3 F N 4.253 124.080 119.950 -0.206 0.000 2.375 3 F HA 0.293 4.821 4.527 0.001 0.000 0.361 3 F C -0.723 174.997 175.800 -0.133 0.000 1.117 3 F CA -0.437 57.548 58.000 -0.026 0.000 1.037 3 F CB 0.446 39.526 39.000 0.133 0.000 1.192 3 F HN 0.253 nan 8.300 nan 0.000 0.452 4 H N 2.570 121.483 119.070 -0.261 0.000 2.941 4 H HA 0.856 5.413 4.556 0.001 0.000 0.344 4 H C 0.096 174.628 175.328 -1.327 0.000 1.235 4 H CA -0.512 55.002 56.048 -0.891 0.000 1.149 4 H CB 1.726 31.217 29.762 -0.451 0.000 1.885 4 H HN 0.800 nan 8.280 nan 0.000 0.558 5 G N -0.546 107.264 108.800 -1.650 0.000 2.351 5 G HA2 0.237 4.197 3.960 0.001 0.000 0.279 5 G HA3 0.237 4.197 3.960 0.001 0.000 0.279 5 G C -2.358 171.965 174.900 -0.961 0.000 1.297 5 G CA -0.657 43.707 45.100 -1.228 0.000 0.886 5 G HN 0.545 nan 8.290 nan 0.000 0.493 6 Y N 0.132 120.196 120.300 -0.394 0.000 2.513 6 Y HA 0.767 5.318 4.550 0.001 0.000 0.340 6 Y C -0.563 175.582 175.900 0.408 0.000 1.055 6 Y CA 0.024 58.235 58.100 0.184 0.000 1.020 6 Y CB 1.877 40.493 38.460 0.261 0.000 1.301 6 Y HN 1.705 nan 8.280 nan 0.000 0.453 7 A N 5.421 127.937 122.820 -0.507 0.000 2.604 7 A HA 0.880 5.201 4.320 0.001 0.000 0.295 7 A C -1.761 175.595 177.584 -0.380 0.000 1.067 7 A CA -0.996 50.897 52.037 -0.239 0.000 0.683 7 A CB 1.784 20.829 19.000 0.076 0.000 1.281 7 A HN 0.931 nan 8.150 nan 0.000 0.407 8 R N -0.105 120.378 120.500 -0.028 0.000 2.651 8 R HA 0.889 5.229 4.340 0.001 0.000 0.278 8 R C -1.095 175.269 176.300 0.106 0.000 1.010 8 R CA -0.416 55.729 56.100 0.075 0.000 0.896 8 R CB 1.958 32.397 30.300 0.231 0.000 1.211 8 R HN 0.983 nan 8.270 nan 0.000 0.456 9 S N 0.508 116.257 115.700 0.081 0.000 2.542 9 S HA 0.794 5.265 4.470 0.001 0.000 0.276 9 S C -1.219 173.422 174.600 0.069 0.000 1.148 9 S CA 0.084 58.323 58.200 0.065 0.000 0.886 9 S CB 1.754 64.973 63.200 0.031 0.000 1.109 9 S HN 1.122 nan 8.310 nan 0.000 0.458 10 G N 1.941 110.776 108.800 0.057 0.000 2.634 10 G HA2 0.674 4.634 3.960 0.001 0.000 0.309 10 G HA3 0.674 4.634 3.960 0.001 0.000 0.309 10 G C -2.010 172.887 174.900 -0.004 0.000 1.299 10 G CA -0.396 44.745 45.100 0.068 0.000 0.798 10 G HN 0.992 nan 8.290 nan 0.000 0.490 11 I N -0.161 120.390 120.570 -0.032 0.000 2.607 11 I HA 0.735 4.906 4.170 0.001 0.000 0.290 11 I C -0.264 175.641 176.117 -0.353 0.000 1.129 11 I CA -0.582 60.571 61.300 -0.244 0.000 1.042 11 I CB 1.963 39.786 38.000 -0.295 0.000 1.242 11 I HN 1.000 nan 8.210 nan 0.000 0.421 12 G N 6.194 114.640 108.800 -0.590 0.000 2.690 12 G HA2 0.538 4.499 3.960 0.001 0.000 0.293 12 G HA3 0.538 4.499 3.960 0.001 0.000 0.293 12 G C -2.344 172.106 174.900 -0.751 0.000 1.399 12 G CA -0.473 44.356 45.100 -0.452 0.000 0.890 12 G HN 0.544 nan 8.290 nan 0.000 0.485 13 W N 0.341 121.301 121.300 -0.566 0.000 2.915 13 W HA 0.480 5.141 4.660 0.001 0.000 0.337 13 W C -0.607 175.530 176.519 -0.635 0.000 1.102 13 W CA -0.581 56.357 57.345 -0.678 0.000 1.224 13 W CB 2.643 31.446 29.460 -1.095 0.000 1.416 13 W HN 0.399 nan 8.180 nan 0.000 0.503 14 T N 1.481 115.927 114.554 -0.180 0.000 2.806 14 T HA 0.203 4.553 4.350 0.001 0.000 0.290 14 T C 1.304 175.832 174.700 -0.287 0.000 0.966 14 T CA 0.068 62.067 62.100 -0.168 0.000 1.060 14 T CB 1.666 70.504 68.868 -0.051 0.000 0.927 14 T HN 0.622 nan 8.240 nan 0.000 0.485 15 G N 2.097 110.514 108.800 -0.639 0.000 2.469 15 G HA2 -0.249 3.711 3.960 0.001 0.000 0.219 15 G HA3 -0.249 3.711 3.960 0.001 0.000 0.219 15 G C 1.642 176.368 174.900 -0.290 0.000 1.150 15 G CA 1.191 45.632 45.100 -1.098 0.000 0.763 15 G HN 0.758 nan 8.290 nan 0.000 0.561 16 S N -0.384 115.248 115.700 -0.114 0.000 2.603 16 S HA 0.465 4.936 4.470 0.001 0.000 0.220 16 S C 0.923 175.545 174.600 0.036 0.000 0.967 16 S CA 0.605 58.828 58.200 0.039 0.000 0.920 16 S CB -0.160 63.091 63.200 0.086 0.000 0.773 16 S HN 1.638 nan 8.310 nan 0.000 0.529 17 G N -1.021 107.784 108.800 0.008 0.000 2.465 17 G HA2 0.494 4.455 3.960 0.001 0.000 0.681 17 G HA3 0.494 4.455 3.960 0.001 0.000 0.681 17 G C 0.019 174.932 174.900 0.022 0.000 1.340 17 G CA -0.470 44.651 45.100 0.035 0.000 0.884 17 G HN 1.736 nan 8.290 nan 0.000 0.650 18 G N 0.025 108.848 108.800 0.038 0.000 2.760 18 G HA2 0.371 4.331 3.960 0.001 0.000 0.246 18 G HA3 0.371 4.331 3.960 0.001 0.000 0.246 18 G C 0.285 175.156 174.900 -0.049 0.000 1.359 18 G CA 0.927 46.029 45.100 0.004 0.000 0.861 18 G HN 2.282 nan 8.290 nan 0.000 0.541 19 E N 0.064 120.198 120.200 -0.110 0.000 2.392 19 E HA 0.351 4.701 4.350 0.001 0.000 0.256 19 E C 0.634 177.121 176.600 -0.188 0.000 1.145 19 E CA -0.100 56.171 56.400 -0.215 0.000 0.929 19 E CB 0.608 30.191 29.700 -0.194 0.000 0.998 19 E HN 0.780 nan 8.360 nan 0.000 0.442 20 Q N 0.786 120.445 119.800 -0.236 0.000 2.342 20 Q HA -0.149 4.191 4.340 0.001 0.000 0.330 20 Q C -0.731 175.167 176.000 -0.169 0.000 1.117 20 Q CA 0.969 56.674 55.803 -0.163 0.000 1.010 20 Q CB 0.535 29.204 28.738 -0.115 0.000 1.204 20 Q HN 0.481 nan 8.270 nan 0.000 0.400 21 Q N 1.688 121.357 119.800 -0.218 0.000 2.387 21 Q HA 0.511 4.852 4.340 0.001 0.000 0.273 21 Q C -1.450 174.074 176.000 -0.793 0.000 1.089 21 Q CA -0.847 54.731 55.803 -0.375 0.000 0.824 21 Q CB 2.266 30.843 28.738 -0.268 0.000 1.367 21 Q HN 0.671 nan 8.270 nan 0.000 0.443 22 c N 1.463 119.608 118.600 -0.758 0.000 2.493 22 c HA 0.644 5.214 4.570 0.001 0.000 0.326 22 c C -1.171 172.449 174.090 -0.784 0.000 1.200 22 c CA -0.677 55.188 56.329 -0.773 0.000 1.739 22 c CB 0.284 42.592 42.510 -0.336 0.000 2.300 22 c HN 0.654 nan 8.230 nan 0.000 0.500 23 F N 2.322 122.219 119.950 -0.088 0.000 2.382 23 F HA 0.564 5.092 4.527 0.001 0.000 0.361 23 F C 0.167 175.890 175.800 -0.128 0.000 1.109 23 F CA -0.389 57.512 58.000 -0.165 0.000 1.031 23 F CB 0.788 39.735 39.000 -0.088 0.000 1.234 23 F HN 0.519 nan 8.300 nan 0.000 0.445 24 Q N 1.633 121.403 119.800 -0.049 0.000 2.323 24 Q HA 0.455 4.796 4.340 0.001 0.000 0.271 24 Q C -0.851 175.053 176.000 -0.159 0.000 1.048 24 Q CA -0.635 55.120 55.803 -0.080 0.000 0.792 24 Q CB 1.965 30.637 28.738 -0.110 0.000 1.280 24 Q HN 0.603 nan 8.270 nan 0.000 0.441 25 T N 2.965 117.433 114.554 -0.143 0.000 2.888 25 T HA 0.084 4.434 4.350 0.001 0.000 0.301 25 T C -0.252 174.285 174.700 -0.272 0.000 1.001 25 T CA 0.141 62.121 62.100 -0.199 0.000 1.147 25 T CB 0.481 69.261 68.868 -0.146 0.000 0.931 25 T HN 0.562 nan 8.240 nan 0.000 0.541 26 T N 3.650 118.004 114.554 -0.332 0.000 2.829 26 T HA 0.383 4.734 4.350 0.001 0.000 0.293 26 T C 1.539 175.969 174.700 -0.449 0.000 0.970 26 T CA 0.758 62.629 62.100 -0.381 0.000 1.168 26 T CB 0.222 68.771 68.868 -0.532 0.000 0.911 26 T HN 0.961 nan 8.240 nan 0.000 0.535 27 G N 2.265 110.953 108.800 -0.186 0.000 2.232 27 G HA2 -0.074 3.887 3.960 0.001 0.000 0.226 27 G HA3 -0.074 3.887 3.960 0.001 0.000 0.226 27 G C 0.290 174.989 174.900 -0.335 0.000 0.996 27 G CA -0.166 44.926 45.100 -0.012 0.000 0.626 27 G HN 1.130 nan 8.290 nan 0.000 0.509 28 A N 0.096 122.556 122.820 -0.601 0.000 2.340 28 A HA 0.710 5.030 4.320 0.001 0.000 0.268 28 A C 0.885 177.901 177.584 -0.946 0.000 1.100 28 A CA 0.547 51.804 52.037 -1.300 0.000 0.803 28 A CB 0.453 18.849 19.000 -1.006 0.000 1.043 28 A HN 0.412 nan 8.150 nan 0.000 0.488 29 Q N 0.348 119.394 119.800 -1.256 0.000 2.246 29 Q HA 0.177 4.518 4.340 0.001 0.000 0.202 29 Q C 0.072 176.024 176.000 -0.079 0.000 0.883 29 Q CA 0.441 56.026 55.803 -0.364 0.000 0.952 29 Q CB 0.105 28.862 28.738 0.032 0.000 1.078 29 Q HN 0.854 nan 8.270 nan 0.000 0.493 30 S N -0.182 115.423 115.700 -0.158 0.000 2.643 30 S HA 0.632 5.103 4.470 0.001 0.000 0.270 30 S C -1.490 173.082 174.600 -0.046 0.000 1.166 30 S CA -1.104 57.100 58.200 0.007 0.000 0.815 30 S CB 1.779 65.032 63.200 0.088 0.000 1.139 30 S HN 0.192 nan 8.310 nan 0.000 0.472 31 K N -0.278 120.086 120.400 -0.060 0.000 2.512 31 K HA 0.547 4.867 4.320 0.001 0.000 0.263 31 K C -1.919 174.608 176.600 -0.122 0.000 0.966 31 K CA -0.993 55.282 56.287 -0.021 0.000 0.851 31 K CB 0.873 33.384 32.500 0.018 0.000 1.395 31 K HN 0.569 nan 8.250 nan 0.000 0.440 32 Y N 2.494 122.849 120.300 0.091 0.000 2.531 32 Y HA 0.066 4.616 4.550 0.001 0.000 0.347 32 Y C 1.825 177.760 175.900 0.060 0.000 1.024 32 Y CA -0.070 58.083 58.100 0.088 0.000 1.306 32 Y CB 0.888 39.424 38.460 0.126 0.000 1.149 32 Y HN 0.655 nan 8.280 nan 0.000 0.527 33 R N 2.910 123.453 120.500 0.071 0.000 2.119 33 R HA 0.006 4.346 4.340 0.001 0.000 0.222 33 R C 0.342 176.655 176.300 0.023 0.000 1.088 33 R CA 0.316 56.429 56.100 0.022 0.000 0.984 33 R CB -0.032 30.243 30.300 -0.042 0.000 0.884 33 R HN 0.521 nan 8.270 nan 0.000 0.447 34 L N 2.984 124.245 121.223 0.063 0.000 2.584 34 L HA 0.006 4.347 4.340 0.001 0.000 0.272 34 L C 0.309 177.103 176.870 -0.126 0.000 1.195 34 L CA 1.674 56.520 54.840 0.011 0.000 0.920 34 L CB 0.313 42.426 42.059 0.090 0.000 1.173 34 L HN 0.800 nan 8.230 nan 0.000 0.489 35 G N 3.843 112.367 108.800 -0.459 0.000 2.249 35 G HA2 -0.340 3.620 3.960 0.001 0.000 0.273 35 G HA3 -0.340 3.620 3.960 0.001 0.000 0.273 35 G C 0.352 174.994 174.900 -0.430 0.000 1.036 35 G CA 0.753 45.161 45.100 -1.153 0.000 0.824 35 G HN 0.799 nan 8.290 nan 0.000 0.504 36 N N -0.220 118.356 118.700 -0.207 0.000 2.577 36 N HA 0.180 4.921 4.740 0.001 0.000 0.285 36 N C -0.697 174.770 175.510 -0.072 0.000 1.658 36 N CA -0.136 52.878 53.050 -0.059 0.000 0.865 36 N CB 0.592 39.118 38.487 0.065 0.000 1.419 36 N HN 0.517 nan 8.380 nan 0.000 0.495 37 E N -0.123 120.031 120.200 -0.077 0.000 2.218 37 E HA 0.355 4.706 4.350 0.001 0.000 0.263 37 E C -0.557 176.031 176.600 -0.021 0.000 0.879 37 E CA -0.493 55.888 56.400 -0.032 0.000 0.762 37 E CB 1.334 31.044 29.700 0.017 0.000 1.166 37 E HN 0.206 nan 8.360 nan 0.000 0.415 38 c N 3.750 122.328 118.600 -0.037 0.000 2.647 38 c HA 0.181 4.751 4.570 0.001 0.000 0.296 38 c C -0.127 173.953 174.090 -0.017 0.000 1.403 38 c CA -0.251 56.050 56.329 -0.047 0.000 1.781 38 c CB -1.113 41.337 42.510 -0.101 0.000 2.464 38 c HN 0.601 nan 8.230 nan 0.000 0.559 39 E N -0.971 119.247 120.200 0.029 0.000 2.413 39 E HA 0.267 4.618 4.350 0.001 0.000 0.277 39 E C -1.420 175.247 176.600 0.112 0.000 0.958 39 E CA -0.352 56.084 56.400 0.061 0.000 0.779 39 E CB 0.834 30.581 29.700 0.079 0.000 1.278 39 E HN -0.063 nan 8.360 nan 0.000 0.456 40 T N 2.093 116.713 114.554 0.111 0.000 2.743 40 T HA 0.337 4.687 4.350 0.001 0.000 0.293 40 T C -1.264 173.570 174.700 0.223 0.000 0.945 40 T CA -0.109 62.070 62.100 0.133 0.000 1.030 40 T CB -0.344 68.563 68.868 0.066 0.000 0.912 40 T HN 0.366 nan 8.240 nan 0.000 0.483 41 Y N 2.582 122.979 120.300 0.161 0.000 2.391 41 Y HA 0.624 5.175 4.550 0.001 0.000 0.341 41 Y C -0.818 175.256 175.900 0.290 0.000 0.965 41 Y CA -0.953 57.283 58.100 0.227 0.000 1.067 41 Y CB 1.141 39.752 38.460 0.251 0.000 1.199 41 Y HN 0.733 nan 8.280 nan 0.000 0.450 42 A N 4.990 127.561 122.820 -0.415 0.000 2.486 42 A HA 0.698 5.018 4.320 0.001 0.000 0.300 42 A C -1.622 175.854 177.584 -0.180 0.000 1.048 42 A CA -0.854 51.122 52.037 -0.101 0.000 0.696 42 A CB 1.502 20.550 19.000 0.079 0.000 1.278 42 A HN 0.766 nan 8.150 nan 0.000 0.405 43 E N 1.536 121.780 120.200 0.075 0.000 2.191 43 E HA 0.499 4.850 4.350 0.001 0.000 0.263 43 E C -1.403 175.291 176.600 0.157 0.000 0.881 43 E CA -0.386 56.067 56.400 0.089 0.000 0.757 43 E CB 1.962 31.742 29.700 0.133 0.000 1.147 43 E HN 0.557 nan 8.360 nan 0.000 0.414 44 L N 3.748 125.103 121.223 0.219 0.000 2.276 44 L HA 0.454 4.794 4.340 0.001 0.000 0.286 44 L C -0.259 176.729 176.870 0.197 0.000 1.024 44 L CA -0.650 54.392 54.840 0.337 0.000 0.826 44 L CB 0.780 43.122 42.059 0.471 0.000 1.211 44 L HN 0.285 nan 8.230 nan 0.000 0.422 45 K N 5.300 125.771 120.400 0.119 0.000 2.235 45 K HA 0.686 5.007 4.320 0.001 0.000 0.266 45 K C -1.052 175.651 176.600 0.171 0.000 0.980 45 K CA -0.547 55.762 56.287 0.037 0.000 0.849 45 K CB 2.366 34.814 32.500 -0.086 0.000 1.098 45 K HN 0.457 nan 8.250 nan 0.000 0.445 46 L N 2.140 123.421 121.223 0.098 0.000 2.349 46 L HA 0.582 4.922 4.340 0.001 0.000 0.278 46 L C 0.129 176.977 176.870 -0.037 0.000 0.996 46 L CA -0.648 54.257 54.840 0.108 0.000 0.825 46 L CB 1.983 44.109 42.059 0.112 0.000 1.243 46 L HN 0.799 nan 8.230 nan 0.000 0.412 47 G N 2.043 110.847 108.800 0.007 0.000 2.680 47 G HA2 0.713 4.673 3.960 0.001 0.000 0.290 47 G HA3 0.713 4.673 3.960 0.001 0.000 0.290 47 G C -1.941 172.872 174.900 -0.144 0.000 1.355 47 G CA -0.329 44.690 45.100 -0.136 0.000 0.903 47 G HN 0.438 nan 8.290 nan 0.000 0.474 48 Q N -0.734 118.783 119.800 -0.471 0.000 2.438 48 Q HA 0.280 4.621 4.340 0.001 0.000 0.272 48 Q C -1.448 174.232 176.000 -0.534 0.000 0.994 48 Q CA -0.601 55.019 55.803 -0.305 0.000 0.887 48 Q CB 2.510 31.230 28.738 -0.030 0.000 1.432 48 Q HN 0.613 nan 8.270 nan 0.000 0.392 49 E N 2.615 122.735 120.200 -0.134 0.000 2.029 49 E HA 0.132 4.483 4.350 0.001 0.000 0.276 49 E C 0.554 177.230 176.600 0.126 0.000 1.163 49 E CA -0.080 56.391 56.400 0.118 0.000 0.909 49 E CB 0.569 30.436 29.700 0.277 0.000 1.046 49 E HN 0.524 nan 8.360 nan 0.000 0.406 50 V N 2.480 122.492 119.914 0.162 0.000 3.506 50 V HA 0.261 4.381 4.120 0.001 0.000 0.263 50 V C 0.129 176.397 176.094 0.290 0.000 1.203 50 V CA -0.188 62.209 62.300 0.162 0.000 1.133 50 V CB -0.776 31.101 31.823 0.090 0.000 0.802 50 V HN 0.641 nan 8.190 nan 0.000 0.459 51 W N 0.402 121.778 121.300 0.126 0.000 3.707 51 W HA 0.624 5.285 4.660 0.001 0.000 0.294 51 W C -1.298 175.329 176.519 0.180 0.000 1.248 51 W CA -0.697 56.730 57.345 0.137 0.000 1.217 51 W CB 1.256 30.794 29.460 0.131 0.000 1.306 51 W HN -0.118 nan 8.180 nan 0.000 0.532 52 K N 4.463 124.635 120.400 -0.381 0.000 2.553 52 K HA 0.338 4.658 4.320 0.001 0.000 0.250 52 K C -1.531 174.613 176.600 -0.760 0.000 0.953 52 K CA -0.426 55.625 56.287 -0.394 0.000 0.800 52 K CB 1.899 34.328 32.500 -0.119 0.000 1.243 52 K HN 0.608 nan 8.250 nan 0.000 0.435 53 E N 2.779 122.530 120.200 -0.748 0.000 2.316 53 E HA 0.285 4.635 4.350 0.001 0.000 0.254 53 E C 0.085 176.559 176.600 -0.210 0.000 0.902 53 E CA -0.195 55.897 56.400 -0.513 0.000 0.801 53 E CB 1.621 30.967 29.700 -0.591 0.000 1.270 53 E HN 0.959 nan 8.360 nan 0.000 0.414 54 G N 4.069 112.785 108.800 -0.140 0.000 2.602 54 G HA2 -0.411 3.550 3.960 0.001 0.000 0.310 54 G HA3 -0.411 3.550 3.960 0.001 0.000 0.310 54 G C 0.644 175.514 174.900 -0.050 0.000 1.183 54 G CA 0.744 45.802 45.100 -0.069 0.000 0.979 54 G HN 0.596 nan 8.290 nan 0.000 0.545 55 D N 1.473 121.859 120.400 -0.023 0.000 2.348 55 D HA 0.193 4.833 4.640 0.001 0.000 0.211 55 D C 1.124 177.428 176.300 0.006 0.000 0.998 55 D CA 0.665 54.659 54.000 -0.009 0.000 0.873 55 D CB 0.104 40.902 40.800 -0.003 0.000 0.925 55 D HN 0.445 nan 8.370 nan 0.000 0.524 56 K N 0.165 120.583 120.400 0.029 0.000 2.205 56 K HA 0.463 4.784 4.320 0.001 0.000 0.279 56 K C -0.228 176.473 176.600 0.170 0.000 1.027 56 K CA -0.352 56.001 56.287 0.109 0.000 0.932 56 K CB 1.656 34.302 32.500 0.243 0.000 1.032 56 K HN -0.045 nan 8.250 nan 0.000 0.466 57 S N 1.537 117.335 115.700 0.164 0.000 2.596 57 S HA 0.618 5.088 4.470 0.001 0.000 0.270 57 S C -1.250 173.437 174.600 0.146 0.000 1.155 57 S CA -1.028 57.350 58.200 0.295 0.000 0.827 57 S CB 0.729 64.048 63.200 0.198 0.000 1.130 57 S HN 0.327 nan 8.310 nan 0.000 0.467 58 F N 1.133 121.308 119.950 0.375 0.000 2.507 58 F HA 0.582 5.109 4.527 0.001 0.000 0.325 58 F C -0.660 175.307 175.800 0.277 0.000 1.116 58 F CA -0.637 57.517 58.000 0.257 0.000 0.930 58 F CB 1.644 40.741 39.000 0.162 0.000 1.146 58 F HN 0.752 nan 8.300 nan 0.000 0.447 59 Y N 4.129 124.610 120.300 0.301 0.000 2.364 59 Y HA 0.531 5.082 4.550 0.001 0.000 0.340 59 Y C -1.429 174.641 175.900 0.283 0.000 0.975 59 Y CA -1.450 56.791 58.100 0.236 0.000 1.089 59 Y CB 1.189 39.722 38.460 0.121 0.000 1.192 59 Y HN 0.490 nan 8.280 nan 0.000 0.454 60 F N 5.872 125.644 119.950 -0.295 0.000 2.436 60 F HA 0.537 5.064 4.527 0.001 0.000 0.340 60 F C -1.246 174.441 175.800 -0.187 0.000 1.113 60 F CA -0.686 57.232 58.000 -0.137 0.000 1.022 60 F CB 1.071 40.003 39.000 -0.114 0.000 1.128 60 F HN 0.551 nan 8.300 nan 0.000 0.466 61 D N 2.842 122.866 120.400 -0.626 0.000 2.819 61 D HA 0.516 5.156 4.640 0.001 0.000 0.232 61 D C -1.176 174.717 176.300 -0.678 0.000 1.160 61 D CA -0.071 53.626 54.000 -0.506 0.000 0.858 61 D CB 2.287 43.054 40.800 -0.054 0.000 1.610 61 D HN 0.699 nan 8.370 nan 0.000 0.481 62 T N 0.087 114.323 114.554 -0.531 0.000 2.887 62 T HA 0.691 5.041 4.350 0.001 0.000 0.292 62 T C -0.891 173.592 174.700 -0.360 0.000 1.087 62 T CA -0.988 60.846 62.100 -0.442 0.000 1.009 62 T CB 1.435 70.143 68.868 -0.266 0.000 1.203 62 T HN 0.385 nan 8.240 nan 0.000 0.518 63 N N 0.201 118.643 118.700 -0.431 0.000 2.578 63 N HA 0.488 5.229 4.740 0.001 0.000 0.282 63 N C -2.054 173.270 175.510 -0.309 0.000 1.119 63 N CA -0.628 52.202 53.050 -0.366 0.000 0.948 63 N CB 1.785 39.920 38.487 -0.587 0.000 1.546 63 N HN 0.567 nan 8.380 nan 0.000 0.525 64 V N 2.155 122.010 119.914 -0.099 0.000 2.378 64 V HA 0.787 4.907 4.120 0.001 0.000 0.288 64 V C -0.119 175.891 176.094 -0.140 0.000 1.016 64 V CA -0.585 61.679 62.300 -0.060 0.000 0.840 64 V CB 1.034 32.908 31.823 0.085 0.000 0.994 64 V HN 0.751 nan 8.190 nan 0.000 0.431 65 A N 4.874 127.543 122.820 -0.252 0.000 2.337 65 A HA 0.906 5.226 4.320 0.001 0.000 0.329 65 A C -1.461 175.856 177.584 -0.444 0.000 1.146 65 A CA -0.431 51.462 52.037 -0.240 0.000 0.800 65 A CB 0.879 19.847 19.000 -0.053 0.000 1.220 65 A HN 0.723 nan 8.150 nan 0.000 0.472 66 Y N 0.516 120.713 120.300 -0.171 0.000 2.391 66 Y HA 0.610 5.160 4.550 0.001 0.000 0.341 66 Y C 0.469 176.315 175.900 -0.089 0.000 0.965 66 Y CA -0.469 57.575 58.100 -0.094 0.000 1.067 66 Y CB 2.529 40.943 38.460 -0.077 0.000 1.199 66 Y HN 0.562 nan 8.280 nan 0.000 0.450 67 S N 3.669 119.477 115.700 0.180 0.000 2.707 67 S HA 0.782 5.253 4.470 0.001 0.000 0.312 67 S C -1.162 173.527 174.600 0.149 0.000 1.116 67 S CA -0.533 57.811 58.200 0.239 0.000 1.078 67 S CB -0.038 63.349 63.200 0.312 0.000 0.997 67 S HN 0.612 nan 8.310 nan 0.000 0.477 68 V N 2.403 122.388 119.914 0.118 0.000 3.074 68 V HA 0.919 5.040 4.120 0.001 0.000 0.314 68 V C 0.972 177.095 176.094 0.047 0.000 1.117 68 V CA -0.430 61.907 62.300 0.063 0.000 1.014 68 V CB 1.100 32.938 31.823 0.026 0.000 1.057 68 V HN 0.828 nan 8.190 nan 0.000 0.438 69 A N 0.771 123.604 122.820 0.022 0.000 2.209 69 A HA 0.076 4.397 4.320 0.001 0.000 0.212 69 A C 1.223 178.800 177.584 -0.010 0.000 1.158 69 A CA 0.938 52.978 52.037 0.005 0.000 0.742 69 A CB -1.019 17.979 19.000 -0.003 0.000 0.790 69 A HN 1.812 nan 8.150 nan 0.000 0.472 70 Q N -1.609 118.187 119.800 -0.008 0.000 2.439 70 Q HA -0.271 4.069 4.340 0.001 0.000 0.325 70 Q C -0.290 175.681 176.000 -0.049 0.000 1.372 70 Q CA 1.184 56.972 55.803 -0.025 0.000 0.909 70 Q CB -1.804 26.922 28.738 -0.019 0.000 1.167 70 Q HN 0.517 nan 8.270 nan 0.000 0.418 71 Q N -0.170 119.608 119.800 -0.036 0.000 2.164 71 Q HA 0.373 4.714 4.340 0.001 0.000 0.226 71 Q C -0.290 175.696 176.000 -0.023 0.000 0.813 71 Q CA 0.266 56.041 55.803 -0.047 0.000 0.978 71 Q CB 0.931 29.644 28.738 -0.041 0.000 1.149 71 Q HN 0.546 nan 8.270 nan 0.000 0.489 72 N N -0.420 118.278 118.700 -0.004 0.000 2.927 72 N HA 0.017 4.758 4.740 0.001 0.000 0.248 72 N C -0.048 175.481 175.510 0.032 0.000 1.443 72 N CA -0.265 52.800 53.050 0.025 0.000 0.870 72 N CB 1.807 40.328 38.487 0.055 0.000 1.444 72 N HN -0.171 nan 8.380 nan 0.000 0.519 73 D N -0.011 120.426 120.400 0.062 0.000 2.092 73 D HA -0.109 4.531 4.640 0.001 0.000 0.203 73 D C 0.123 176.483 176.300 0.101 0.000 0.978 73 D CA 0.999 55.043 54.000 0.072 0.000 0.861 73 D CB -0.005 40.852 40.800 0.096 0.000 1.005 73 D HN 0.438 nan 8.370 nan 0.000 0.450 74 W N 2.585 123.877 121.300 -0.012 0.000 2.666 74 W HA 0.225 4.885 4.660 0.001 0.000 0.365 74 W C -0.943 175.574 176.519 -0.003 0.000 1.224 74 W CA -0.032 57.308 57.345 -0.009 0.000 1.515 74 W CB -0.346 29.110 29.460 -0.007 0.000 1.562 74 W HN 0.118 nan 8.180 nan 0.000 0.455 75 E N 4.498 124.545 120.200 -0.255 0.000 2.255 75 E HA 0.379 4.730 4.350 0.001 0.000 0.245 75 E C -0.140 176.296 176.600 -0.274 0.000 0.909 75 E CA -0.458 55.851 56.400 -0.151 0.000 0.747 75 E CB 1.149 30.809 29.700 -0.067 0.000 1.215 75 E HN 0.394 nan 8.360 nan 0.000 0.424 76 A N 2.962 125.649 122.820 -0.222 0.000 2.440 76 A HA 0.466 4.787 4.320 0.001 0.000 0.251 76 A C 0.231 177.792 177.584 -0.038 0.000 1.089 76 A CA 0.178 52.123 52.037 -0.153 0.000 0.779 76 A CB 1.033 20.068 19.000 0.058 0.000 1.022 76 A HN 0.472 nan 8.150 nan 0.000 0.492 77 T N 0.364 114.910 114.554 -0.012 0.000 2.792 77 T HA 0.419 4.770 4.350 0.001 0.000 0.303 77 T C -1.871 172.849 174.700 0.033 0.000 1.310 77 T CA -0.737 61.380 62.100 0.029 0.000 1.007 77 T CB 1.242 70.147 68.868 0.061 0.000 1.335 77 T HN 0.560 nan 8.240 nan 0.000 0.504 78 D N 3.863 124.275 120.400 0.020 0.000 2.396 78 D HA 0.352 4.993 4.640 0.001 0.000 0.225 78 D C -1.969 174.303 176.300 -0.047 0.000 1.121 78 D CA -0.967 53.030 54.000 -0.004 0.000 0.853 78 D CB 1.372 42.170 40.800 -0.004 0.000 1.043 78 D HN 0.384 nan 8.370 nan 0.000 0.500 79 P HA 0.182 nan 4.420 nan 0.000 0.271 79 P C -0.814 176.385 177.300 -0.168 0.000 1.218 79 P CA -0.496 62.409 63.100 -0.326 0.000 0.780 79 P CB 0.922 32.301 31.700 -0.535 0.000 0.901 80 A N 2.928 125.653 122.820 -0.159 0.000 2.260 80 A HA 0.361 4.682 4.320 0.001 0.000 0.308 80 A C -0.683 176.901 177.584 -0.000 0.000 1.254 80 A CA -0.529 51.485 52.037 -0.040 0.000 0.874 80 A CB -0.354 18.642 19.000 -0.006 0.000 1.153 80 A HN 0.487 nan 8.150 nan 0.000 0.527 81 F N 3.711 123.600 119.950 -0.102 0.000 2.462 81 F HA 0.317 4.844 4.527 0.001 0.000 0.354 81 F C 1.198 176.950 175.800 -0.080 0.000 1.192 81 F CA -0.529 57.414 58.000 -0.095 0.000 1.173 81 F CB 0.377 39.335 39.000 -0.069 0.000 1.402 81 F HN 0.754 nan 8.300 nan 0.000 0.595 82 R N 2.106 122.386 120.500 -0.366 0.000 2.112 82 R HA 0.141 4.482 4.340 0.001 0.000 0.216 82 R C -0.205 175.805 176.300 -0.483 0.000 1.080 82 R CA 0.587 56.507 56.100 -0.301 0.000 0.996 82 R CB 0.253 30.460 30.300 -0.156 0.000 0.902 82 R HN 0.486 nan 8.270 nan 0.000 0.449 83 E N -0.266 119.494 120.200 -0.733 0.000 2.272 83 E HA 0.596 4.947 4.350 0.001 0.000 0.269 83 E C -1.536 174.661 176.600 -0.671 0.000 0.877 83 E CA -0.689 55.331 56.400 -0.635 0.000 0.755 83 E CB 2.427 31.721 29.700 -0.676 0.000 1.192 83 E HN 0.132 nan 8.360 nan 0.000 0.422 84 A N 3.256 125.860 122.820 -0.359 0.000 2.626 84 A HA 0.445 4.766 4.320 0.001 0.000 0.293 84 A C -1.314 176.305 177.584 0.057 0.000 1.111 84 A CA -0.863 51.100 52.037 -0.122 0.000 0.874 84 A CB 0.032 19.101 19.000 0.116 0.000 1.451 84 A HN 0.742 nan 8.150 nan 0.000 0.396 85 N N -0.486 118.257 118.700 0.073 0.000 2.591 85 N HA 0.683 5.423 4.740 0.001 0.000 0.263 85 N C -1.642 174.039 175.510 0.284 0.000 1.308 85 N CA -0.766 52.397 53.050 0.189 0.000 0.837 85 N CB 1.904 40.479 38.487 0.147 0.000 1.548 85 N HN 0.232 nan 8.380 nan 0.000 0.493 86 V N 0.481 120.588 119.914 0.322 0.000 2.540 86 V HA 0.449 4.569 4.120 0.001 0.000 0.302 86 V C -0.766 175.534 176.094 0.344 0.000 1.035 86 V CA -0.525 61.989 62.300 0.356 0.000 0.873 86 V CB 1.422 33.440 31.823 0.325 0.000 0.992 86 V HN 0.678 nan 8.190 nan 0.000 0.428 87 Q N 2.450 122.445 119.800 0.325 0.000 2.348 87 Q HA 0.594 4.934 4.340 0.001 0.000 0.265 87 Q C 0.193 176.273 176.000 0.132 0.000 0.998 87 Q CA -0.363 55.588 55.803 0.247 0.000 0.831 87 Q CB 2.108 30.947 28.738 0.169 0.000 1.251 87 Q HN 0.935 nan 8.270 nan 0.000 0.456 88 G N 3.535 112.331 108.800 -0.008 0.000 2.428 88 G HA2 0.313 4.274 3.960 0.001 0.000 0.320 88 G HA3 0.313 4.274 3.960 0.001 0.000 0.320 88 G C -0.547 174.207 174.900 -0.244 0.000 1.098 88 G CA -0.606 44.255 45.100 -0.399 0.000 0.984 88 G HN 0.359 nan 8.290 nan 0.000 0.444 89 K N 2.333 122.606 120.400 -0.211 0.000 2.159 89 K HA 0.353 4.673 4.320 0.001 0.000 0.266 89 K C -0.146 176.393 176.600 -0.101 0.000 0.975 89 K CA -1.087 55.137 56.287 -0.104 0.000 0.865 89 K CB 1.441 33.912 32.500 -0.049 0.000 1.087 89 K HN 0.357 nan 8.250 nan 0.000 0.446 90 N N 1.452 120.103 118.700 -0.082 0.000 2.754 90 N HA -0.154 4.586 4.740 0.001 0.000 0.248 90 N C 0.173 175.635 175.510 -0.080 0.000 1.093 90 N CA 0.474 53.484 53.050 -0.066 0.000 0.699 90 N CB -1.268 37.200 38.487 -0.031 0.000 1.016 90 N HN 0.643 nan 8.380 nan 0.000 0.552 91 L N -0.782 120.363 121.223 -0.131 0.000 2.463 91 L HA 0.253 4.594 4.340 0.001 0.000 0.219 91 L C 0.834 177.603 176.870 -0.169 0.000 1.088 91 L CA 0.572 55.330 54.840 -0.136 0.000 0.849 91 L CB 0.180 42.123 42.059 -0.192 0.000 1.012 91 L HN 0.112 nan 8.230 nan 0.000 0.468 92 I N 0.289 120.721 120.570 -0.229 0.000 2.330 92 I HA 0.065 4.236 4.170 0.001 0.000 0.286 92 I C 0.938 176.858 176.117 -0.328 0.000 1.025 92 I CA -0.185 60.876 61.300 -0.399 0.000 1.197 92 I CB 1.453 39.122 38.000 -0.552 0.000 1.358 92 I HN 0.104 nan 8.210 nan 0.000 0.467 93 E N 4.681 124.743 120.200 -0.230 0.000 2.085 93 E HA -0.248 4.103 4.350 0.001 0.000 0.194 93 E C 1.280 177.898 176.600 0.030 0.000 0.994 93 E CA 1.651 58.015 56.400 -0.060 0.000 0.801 93 E CB -0.138 29.575 29.700 0.023 0.000 0.743 93 E HN 0.879 nan 8.360 nan 0.000 0.453 94 W N 0.970 122.277 121.300 0.011 0.000 3.077 94 W HA 0.217 4.877 4.660 0.001 0.000 0.245 94 W C 0.063 176.587 176.519 0.008 0.000 1.316 94 W CA 0.074 57.425 57.345 0.010 0.000 1.537 94 W CB -0.125 29.341 29.460 0.010 0.000 1.131 94 W HN -0.170 nan 8.180 nan 0.000 0.695 95 L N 3.627 124.845 121.223 -0.008 0.000 2.551 95 L HA 0.332 4.672 4.340 0.001 0.000 0.248 95 L C -2.133 174.720 176.870 -0.028 0.000 1.509 95 L CA -1.918 52.931 54.840 0.015 0.000 0.842 95 L CB 0.574 42.610 42.059 -0.039 0.000 1.087 95 L HN -0.366 nan 8.230 nan 0.000 0.512 96 P HA 0.057 nan 4.420 nan 0.000 0.266 96 P C 1.001 178.292 177.300 -0.015 0.000 1.195 96 P CA 1.045 64.139 63.100 -0.009 0.000 0.768 96 P CB 1.245 32.952 31.700 0.011 0.000 0.838 97 G N 1.690 110.475 108.800 -0.025 0.000 2.205 97 G HA2 -0.250 3.711 3.960 0.001 0.000 0.261 97 G HA3 -0.250 3.711 3.960 0.001 0.000 0.261 97 G C 0.315 175.198 174.900 -0.029 0.000 0.980 97 G CA 0.399 45.483 45.100 -0.027 0.000 0.632 97 G HN 0.921 nan 8.290 nan 0.000 0.533 98 S N -0.223 115.459 115.700 -0.030 0.000 2.610 98 S HA 0.723 5.194 4.470 0.001 0.000 0.273 98 S C -0.060 174.530 174.600 -0.018 0.000 1.274 98 S CA 0.546 58.736 58.200 -0.016 0.000 1.023 98 S CB 2.178 65.369 63.200 -0.015 0.000 0.962 98 S HN 0.527 nan 8.310 nan 0.000 0.523 99 T N 2.762 117.333 114.554 0.029 0.000 2.823 99 T HA 0.560 4.910 4.350 0.001 0.000 0.279 99 T C -0.026 174.749 174.700 0.125 0.000 0.998 99 T CA -0.634 61.500 62.100 0.057 0.000 0.994 99 T CB 0.512 69.428 68.868 0.080 0.000 0.960 99 T HN 0.729 nan 8.240 nan 0.000 0.448 100 I N 1.202 121.817 120.570 0.075 0.000 2.412 100 I HA 0.866 5.037 4.170 0.001 0.000 0.296 100 I C -0.644 175.587 176.117 0.190 0.000 0.987 100 I CA -0.883 60.455 61.300 0.063 0.000 1.180 100 I CB 1.349 39.327 38.000 -0.038 0.000 1.340 100 I HN 0.688 nan 8.210 nan 0.000 0.455 101 W N 4.077 125.375 121.300 -0.004 0.000 3.118 101 W HA 0.892 5.553 4.660 0.001 0.000 0.328 101 W C -1.883 174.640 176.519 0.006 0.000 1.239 101 W CA -1.438 55.919 57.345 0.020 0.000 1.176 101 W CB 1.193 30.671 29.460 0.030 0.000 1.433 101 W HN 0.870 nan 8.180 nan 0.000 0.562 102 A N 1.413 124.369 122.820 0.226 0.000 2.589 102 A HA 0.905 5.225 4.320 0.001 0.000 0.296 102 A C -0.217 177.521 177.584 0.256 0.000 1.062 102 A CA 0.011 52.087 52.037 0.065 0.000 0.686 102 A CB 1.047 20.022 19.000 -0.040 0.000 1.282 102 A HN 2.398 nan 8.150 nan 0.000 0.404 103 G N 0.609 109.536 108.800 0.211 0.000 2.371 103 G HA2 0.219 4.179 3.960 0.001 0.000 0.663 103 G HA3 0.219 4.179 3.960 0.001 0.000 0.663 103 G C -1.175 173.842 174.900 0.195 0.000 1.311 103 G CA -0.812 44.398 45.100 0.184 0.000 0.985 103 G HN 0.829 nan 8.290 nan 0.000 0.566 104 K N 0.318 120.768 120.400 0.083 0.000 2.322 104 K HA 0.518 4.839 4.320 0.001 0.000 0.283 104 K C 0.361 176.931 176.600 -0.049 0.000 1.042 104 K CA -0.073 56.224 56.287 0.017 0.000 0.958 104 K CB 1.555 34.015 32.500 -0.067 0.000 0.984 104 K HN 0.693 nan 8.250 nan 0.000 0.473 105 R N 2.516 123.001 120.500 -0.026 0.000 2.604 105 R HA 0.230 4.570 4.340 0.001 0.000 0.270 105 R C -1.321 174.990 176.300 0.018 0.000 1.052 105 R CA -0.686 55.337 56.100 -0.128 0.000 0.902 105 R CB 0.954 31.085 30.300 -0.283 0.000 1.233 105 R HN 0.305 nan 8.270 nan 0.000 0.455 106 F N 4.124 123.944 119.950 -0.216 0.000 2.494 106 F HA 0.146 4.674 4.527 0.001 0.000 0.351 106 F C -0.184 175.470 175.800 -0.245 0.000 1.205 106 F CA -0.498 57.371 58.000 -0.218 0.000 1.125 106 F CB -0.175 38.684 39.000 -0.235 0.000 1.268 106 F HN 0.357 nan 8.300 nan 0.000 0.593 107 Y N 4.120 124.313 120.300 -0.179 0.000 2.477 107 Y HA 0.217 4.768 4.550 0.001 0.000 0.349 107 Y C 0.641 176.365 175.900 -0.293 0.000 0.977 107 Y CA -0.859 57.058 58.100 -0.305 0.000 1.214 107 Y CB 0.131 38.440 38.460 -0.251 0.000 1.124 107 Y HN 0.622 nan 8.280 nan 0.000 0.521 108 Q N 4.515 123.854 119.800 -0.767 0.000 2.417 108 Q HA -0.305 4.036 4.340 0.001 0.000 0.368 108 Q C -0.464 175.266 176.000 -0.450 0.000 1.359 108 Q CA 0.758 56.145 55.803 -0.695 0.000 1.122 108 Q CB -0.694 27.462 28.738 -0.970 0.000 1.295 108 Q HN 0.724 nan 8.270 nan 0.000 0.337 109 R N 1.260 121.562 120.500 -0.330 0.000 2.441 109 R HA 0.333 4.673 4.340 0.001 0.000 0.284 109 R C -0.095 176.090 176.300 -0.193 0.000 1.070 109 R CA -0.262 55.720 56.100 -0.197 0.000 1.047 109 R CB 0.790 31.004 30.300 -0.143 0.000 1.016 109 R HN 0.318 nan 8.270 nan 0.000 0.477 110 H N 2.028 120.869 119.070 -0.382 0.000 2.505 110 H HA 0.196 4.753 4.556 0.001 0.000 0.338 110 H C -0.631 174.179 175.328 -0.863 0.000 1.057 110 H CA -0.827 54.873 56.048 -0.580 0.000 1.202 110 H CB 1.836 31.203 29.762 -0.658 0.000 1.466 110 H HN 0.705 nan 8.280 nan 0.000 0.499 111 D N 1.526 121.599 120.400 -0.546 0.000 2.579 111 D HA 0.228 4.869 4.640 0.001 0.000 0.257 111 D C -0.919 175.286 176.300 -0.158 0.000 1.176 111 D CA -0.787 52.866 54.000 -0.578 0.000 0.914 111 D CB 2.001 42.014 40.800 -1.312 0.000 1.431 111 D HN 0.174 nan 8.370 nan 0.000 0.454 112 V N 1.794 121.619 119.914 -0.149 0.000 2.313 112 V HA 0.097 4.218 4.120 0.001 0.000 0.278 112 V C 1.287 177.358 176.094 -0.038 0.000 1.017 112 V CA -0.526 61.671 62.300 -0.171 0.000 0.823 112 V CB 0.419 32.115 31.823 -0.212 0.000 1.010 112 V HN 0.767 nan 8.190 nan 0.000 0.443 113 H N 5.763 124.859 119.070 0.044 0.000 2.289 113 H HA -0.269 4.287 4.556 0.001 0.000 0.294 113 H C 2.101 177.460 175.328 0.051 0.000 1.095 113 H CA 3.074 59.169 56.048 0.079 0.000 1.256 113 H CB 0.149 30.068 29.762 0.262 0.000 1.359 113 H HN 0.683 nan 8.280 nan 0.000 0.487 114 M N 0.185 119.787 119.600 0.003 0.000 2.358 114 M HA -0.023 4.458 4.480 0.001 0.000 0.264 114 M C 1.338 177.561 176.300 -0.128 0.000 1.064 114 M CA 2.052 57.339 55.300 -0.022 0.000 1.093 114 M CB -0.240 32.445 32.600 0.142 0.000 1.401 114 M HN 0.490 nan 8.290 nan 0.000 0.440 115 I N -3.116 117.341 120.570 -0.190 0.000 3.974 115 I HA 0.353 4.523 4.170 0.001 0.000 0.334 115 I C -0.206 175.843 176.117 -0.113 0.000 1.437 115 I CA -0.422 60.719 61.300 -0.266 0.000 1.113 115 I CB -0.162 37.590 38.000 -0.413 0.000 1.063 115 I HN 0.050 nan 8.210 nan 0.000 0.400 116 D N 2.328 122.641 120.400 -0.145 0.000 2.704 116 D HA -0.298 4.343 4.640 0.001 0.000 0.232 116 D C -0.861 175.453 176.300 0.023 0.000 1.183 116 D CA 0.863 54.791 54.000 -0.120 0.000 0.647 116 D CB -0.970 39.772 40.800 -0.097 0.000 1.013 116 D HN 0.516 nan 8.370 nan 0.000 0.415 117 F N 1.713 121.556 119.950 -0.178 0.000 2.427 117 F HA 0.452 4.980 4.527 0.001 0.000 0.348 117 F C -1.036 174.692 175.800 -0.120 0.000 1.125 117 F CA -0.976 56.994 58.000 -0.050 0.000 0.989 117 F CB 0.718 39.715 39.000 -0.005 0.000 1.165 117 F HN -0.133 nan 8.300 nan 0.000 0.442 118 Y N 6.448 126.413 120.300 -0.558 0.000 2.327 118 Y HA 0.197 4.748 4.550 0.001 0.000 0.336 118 Y C 0.301 175.771 175.900 -0.717 0.000 1.035 118 Y CA -0.212 57.572 58.100 -0.526 0.000 1.165 118 Y CB 0.582 38.795 38.460 -0.412 0.000 1.181 118 Y HN 0.656 nan 8.280 nan 0.000 0.494 119 Y N -0.810 119.292 120.300 -0.329 0.000 2.430 119 Y HA 0.319 4.870 4.550 0.001 0.000 0.248 119 Y C -0.372 175.551 175.900 0.039 0.000 1.108 119 Y CA -1.032 56.929 58.100 -0.232 0.000 1.264 119 Y CB 0.532 38.957 38.460 -0.058 0.000 1.172 119 Y HN 0.472 nan 8.280 nan 0.000 0.520 120 W N 2.959 124.042 121.300 -0.361 0.000 2.642 120 W HA 0.502 5.163 4.660 0.001 0.000 0.304 120 W C -2.084 174.324 176.519 -0.185 0.000 1.023 120 W CA -1.665 55.529 57.345 -0.251 0.000 1.290 120 W CB 1.263 30.491 29.460 -0.387 0.000 1.190 120 W HN 0.061 nan 8.180 nan 0.000 0.374 121 D N 5.185 125.614 120.400 0.048 0.000 2.478 121 D HA 0.231 4.871 4.640 0.001 0.000 0.240 121 D C 0.164 176.420 176.300 -0.074 0.000 1.364 121 D CA -0.248 53.690 54.000 -0.104 0.000 0.987 121 D CB 0.665 41.360 40.800 -0.174 0.000 1.328 121 D HN 0.375 nan 8.370 nan 0.000 0.584 122 I N 0.113 120.641 120.570 -0.069 0.000 3.914 122 I HA 0.374 4.544 4.170 0.001 0.000 0.333 122 I C 0.053 176.153 176.117 -0.028 0.000 1.449 122 I CA -0.529 60.751 61.300 -0.032 0.000 1.135 122 I CB 0.392 38.390 38.000 -0.003 0.000 1.073 122 I HN -0.033 nan 8.210 nan 0.000 0.401 123 S N 2.024 117.696 115.700 -0.047 0.000 2.558 123 S HA 0.542 5.013 4.470 0.001 0.000 0.291 123 S C 0.584 175.189 174.600 0.007 0.000 1.306 123 S CA 0.527 58.730 58.200 0.004 0.000 1.056 123 S CB 0.753 63.939 63.200 -0.023 0.000 0.836 123 S HN 0.847 nan 8.310 nan 0.000 0.504 124 G N 2.229 111.057 108.800 0.046 0.000 2.351 124 G HA2 0.338 4.298 3.960 0.001 0.000 0.279 124 G HA3 0.338 4.298 3.960 0.001 0.000 0.279 124 G C -3.616 171.312 174.900 0.047 0.000 1.297 124 G CA -1.033 44.081 45.100 0.024 0.000 0.886 124 G HN 0.447 nan 8.290 nan 0.000 0.493 125 P HA 0.478 nan 4.420 nan 0.000 0.264 125 P C 0.449 177.765 177.300 0.027 0.000 1.193 125 P CA 1.145 64.264 63.100 0.032 0.000 0.763 125 P CB 1.187 32.887 31.700 -0.001 0.000 0.810 126 G N 0.634 109.470 108.800 0.060 0.000 2.489 126 G HA2 0.701 4.662 3.960 0.001 0.000 0.305 126 G HA3 0.701 4.662 3.960 0.001 0.000 0.305 126 G C -2.110 172.574 174.900 -0.360 0.000 1.311 126 G CA -0.073 44.982 45.100 -0.075 0.000 0.813 126 G HN 0.596 nan 8.290 nan 0.000 0.480 127 A N -2.024 120.289 122.820 -0.844 0.000 2.601 127 A HA 1.091 5.411 4.320 0.001 0.000 0.291 127 A C -0.151 176.568 177.584 -1.440 0.000 1.075 127 A CA 0.422 51.678 52.037 -1.303 0.000 0.671 127 A CB 1.434 20.068 19.000 -0.610 0.000 1.277 127 A HN 2.581 nan 8.150 nan 0.000 0.417 128 G N -1.323 106.556 108.800 -1.535 0.000 2.430 128 G HA2 0.639 4.599 3.960 0.001 0.000 0.300 128 G HA3 0.639 4.599 3.960 0.001 0.000 0.300 128 G C -2.414 172.227 174.900 -0.431 0.000 1.330 128 G CA -0.077 44.554 45.100 -0.782 0.000 0.813 128 G HN 1.914 nan 8.290 nan 0.000 0.487 129 L N 0.471 121.648 121.223 -0.076 0.000 2.406 129 L HA 0.758 5.099 4.340 0.001 0.000 0.270 129 L C -0.360 176.604 176.870 0.156 0.000 0.982 129 L CA -0.649 54.216 54.840 0.042 0.000 0.843 129 L CB 1.542 43.602 42.059 0.001 0.000 1.225 129 L HN 0.724 nan 8.230 nan 0.000 0.412 130 E N 3.170 123.502 120.200 0.221 0.000 2.212 130 E HA 0.408 4.758 4.350 0.001 0.000 0.270 130 E C -0.230 176.432 176.600 0.103 0.000 0.956 130 E CA -0.587 55.947 56.400 0.224 0.000 0.825 130 E CB 0.990 30.862 29.700 0.287 0.000 1.167 130 E HN 0.709 nan 8.360 nan 0.000 0.400 131 N N 1.746 120.486 118.700 0.068 0.000 2.714 131 N HA -0.198 4.543 4.740 0.001 0.000 0.253 131 N C -1.078 174.438 175.510 0.010 0.000 1.024 131 N CA 0.334 53.394 53.050 0.016 0.000 0.726 131 N CB -1.101 37.380 38.487 -0.010 0.000 0.908 131 N HN 0.405 nan 8.380 nan 0.000 0.542 132 I N 0.071 120.653 120.570 0.021 0.000 2.436 132 I HA 0.024 4.195 4.170 0.001 0.000 0.289 132 I C 0.726 176.831 176.117 -0.019 0.000 1.083 132 I CA -0.223 61.085 61.300 0.015 0.000 1.372 132 I CB 0.409 38.431 38.000 0.038 0.000 1.408 132 I HN 0.184 nan 8.210 nan 0.000 0.516 133 D N 6.470 126.858 120.400 -0.020 0.000 2.358 133 D HA 0.030 4.670 4.640 0.001 0.000 0.258 133 D C 0.217 176.477 176.300 -0.066 0.000 1.223 133 D CA 0.359 54.331 54.000 -0.047 0.000 0.886 133 D CB 1.401 42.187 40.800 -0.024 0.000 1.120 133 D HN 0.231 nan 8.370 nan 0.000 0.482 134 V N 3.823 123.640 119.914 -0.162 0.000 3.176 134 V HA 0.304 4.424 4.120 0.001 0.000 0.332 134 V C 1.465 177.392 176.094 -0.278 0.000 1.414 134 V CA 0.782 62.948 62.300 -0.223 0.000 1.133 134 V CB 0.069 31.701 31.823 -0.318 0.000 1.088 134 V HN 0.926 nan 8.190 nan 0.000 0.473 135 G N 1.869 110.575 108.800 -0.156 0.000 4.526 135 G HA2 -0.390 3.571 3.960 0.001 0.000 0.217 135 G HA3 -0.390 3.571 3.960 0.001 0.000 0.217 135 G C 0.575 175.476 174.900 0.002 0.000 1.428 135 G CA 0.690 45.777 45.100 -0.021 0.000 0.928 135 G HN 0.831 nan 8.290 nan 0.000 0.639 136 F N 1.935 121.907 119.950 0.037 0.000 2.660 136 F HA 0.638 5.165 4.527 0.001 0.000 0.302 136 F C 0.936 176.761 175.800 0.041 0.000 1.103 136 F CA 0.111 58.133 58.000 0.037 0.000 1.340 136 F CB 0.104 39.126 39.000 0.038 0.000 1.048 136 F HN 1.024 nan 8.300 nan 0.000 0.551 137 G N 0.150 108.714 108.800 -0.394 0.000 2.320 137 G HA2 0.350 4.310 3.960 0.001 0.000 0.296 137 G HA3 0.350 4.310 3.960 0.001 0.000 0.296 137 G C -1.913 172.843 174.900 -0.239 0.000 1.306 137 G CA -1.293 43.663 45.100 -0.240 0.000 0.836 137 G HN -0.060 nan 8.290 nan 0.000 0.517 138 K N 0.156 120.483 120.400 -0.120 0.000 2.274 138 K HA 0.624 4.945 4.320 0.001 0.000 0.262 138 K C -1.063 175.515 176.600 -0.035 0.000 0.961 138 K CA -0.728 55.513 56.287 -0.077 0.000 0.833 138 K CB 2.194 34.667 32.500 -0.045 0.000 1.102 138 K HN 0.465 nan 8.250 nan 0.000 0.436 139 L N 1.274 122.484 121.223 -0.023 0.000 2.295 139 L HA 0.444 4.785 4.340 0.001 0.000 0.285 139 L C -0.731 176.183 176.870 0.074 0.000 1.035 139 L CA 0.227 55.088 54.840 0.034 0.000 0.806 139 L CB 1.621 43.696 42.059 0.025 0.000 1.214 139 L HN 0.500 nan 8.230 nan 0.000 0.426 140 S N 5.375 121.147 115.700 0.120 0.000 2.538 140 S HA 0.745 5.215 4.470 0.001 0.000 0.288 140 S C -1.011 173.703 174.600 0.191 0.000 1.108 140 S CA -0.571 57.733 58.200 0.173 0.000 0.971 140 S CB 1.445 64.776 63.200 0.220 0.000 1.041 140 S HN 0.538 nan 8.310 nan 0.000 0.483 141 L N 2.224 123.547 121.223 0.166 0.000 2.365 141 L HA 0.968 5.308 4.340 0.001 0.000 0.273 141 L C -0.190 176.712 176.870 0.054 0.000 1.000 141 L CA -0.671 54.240 54.840 0.119 0.000 0.819 141 L CB 1.737 43.845 42.059 0.082 0.000 1.284 141 L HN 0.773 nan 8.230 nan 0.000 0.418 142 A N 2.232 125.051 122.820 -0.002 0.000 2.594 142 A HA 0.935 5.256 4.320 0.001 0.000 0.295 142 A C -1.537 175.976 177.584 -0.118 0.000 1.071 142 A CA -0.423 51.516 52.037 -0.165 0.000 0.685 142 A CB 1.948 20.707 19.000 -0.402 0.000 1.285 142 A HN 0.776 nan 8.150 nan 0.000 0.405 143 A N 0.864 123.561 122.820 -0.205 0.000 2.359 143 A HA 0.891 5.211 4.320 0.001 0.000 0.303 143 A C -0.113 177.322 177.584 -0.250 0.000 1.066 143 A CA 0.161 52.074 52.037 -0.206 0.000 0.730 143 A CB 0.986 19.934 19.000 -0.087 0.000 1.211 143 A HN 2.088 nan 8.150 nan 0.000 0.439 144 T N -0.553 113.845 114.554 -0.260 0.000 2.916 144 T HA 0.825 5.176 4.350 0.001 0.000 0.292 144 T C -0.429 174.144 174.700 -0.212 0.000 1.064 144 T CA -0.840 61.155 62.100 -0.175 0.000 1.011 144 T CB 1.711 70.523 68.868 -0.094 0.000 1.152 144 T HN 0.867 nan 8.240 nan 0.000 0.510 145 R N 0.515 120.929 120.500 -0.143 0.000 2.670 145 R HA 0.771 5.112 4.340 0.001 0.000 0.289 145 R C -0.739 175.498 176.300 -0.105 0.000 0.965 145 R CA -0.144 55.872 56.100 -0.140 0.000 0.899 145 R CB 1.747 31.982 30.300 -0.109 0.000 1.173 145 R HN 1.104 nan 8.270 nan 0.000 0.456 146 S N 1.062 116.696 115.700 -0.110 0.000 2.651 146 S HA 0.784 5.254 4.470 0.001 0.000 0.279 146 S C -1.223 173.330 174.600 -0.079 0.000 1.148 146 S CA -0.453 57.696 58.200 -0.085 0.000 0.837 146 S CB 1.600 64.749 63.200 -0.086 0.000 1.138 146 S HN 0.930 nan 8.310 nan 0.000 0.478 147 S N -0.036 115.629 115.700 -0.060 0.000 2.546 147 S HA 0.563 5.033 4.470 0.001 0.000 0.272 147 S C -1.306 173.274 174.600 -0.034 0.000 1.140 147 S CA -0.797 57.373 58.200 -0.050 0.000 0.920 147 S CB 1.273 64.445 63.200 -0.046 0.000 1.083 147 S HN 0.798 nan 8.310 nan 0.000 0.476 148 E N 1.510 121.696 120.200 -0.023 0.000 2.319 148 E HA 0.550 4.900 4.350 0.001 0.000 0.268 148 E C 1.166 177.784 176.600 0.029 0.000 1.050 148 E CA -0.381 56.021 56.400 0.004 0.000 0.878 148 E CB 1.084 30.788 29.700 0.005 0.000 1.066 148 E HN 0.781 nan 8.360 nan 0.000 0.406 149 A N 2.552 125.406 122.820 0.057 0.000 1.972 149 A HA 0.012 4.333 4.320 0.001 0.000 0.219 149 A C 1.056 178.673 177.584 0.055 0.000 1.169 149 A CA 1.737 53.794 52.037 0.033 0.000 0.635 149 A CB -0.263 18.753 19.000 0.027 0.000 0.810 149 A HN 0.668 nan 8.150 nan 0.000 0.446 150 G N -4.715 104.236 108.800 0.253 0.000 3.137 150 G HA2 0.520 4.480 3.960 0.001 0.000 0.196 150 G HA3 0.520 4.480 3.960 0.001 0.000 0.196 150 G C 0.734 175.794 174.900 0.267 0.000 1.135 150 G CA 0.407 45.709 45.100 0.337 0.000 0.803 150 G HN 1.420 nan 8.290 nan 0.000 0.619 151 G N -1.477 107.498 108.800 0.291 0.000 2.238 151 G HA2 -0.103 3.858 3.960 0.001 0.000 0.217 151 G HA3 -0.103 3.858 3.960 0.001 0.000 0.217 151 G C 0.366 175.427 174.900 0.269 0.000 0.996 151 G CA 0.760 45.967 45.100 0.178 0.000 0.632 151 G HN 1.351 nan 8.290 nan 0.000 0.503 152 S N -0.046 115.801 115.700 0.246 0.000 2.501 152 S HA 0.761 5.231 4.470 0.001 0.000 0.301 152 S C -0.135 174.467 174.600 0.003 0.000 1.096 152 S CA 0.318 58.654 58.200 0.226 0.000 1.063 152 S CB 1.908 65.250 63.200 0.236 0.000 1.042 152 S HN 0.906 nan 8.310 nan 0.000 0.494 153 S N 1.103 116.609 115.700 -0.324 0.000 2.501 153 S HA 0.397 4.867 4.470 0.001 0.000 0.301 153 S C 1.016 175.164 174.600 -0.754 0.000 1.096 153 S CA -0.629 57.087 58.200 -0.807 0.000 1.063 153 S CB 1.043 63.281 63.200 -1.603 0.000 1.042 153 S HN 0.711 nan 8.310 nan 0.000 0.494 154 S N 2.794 117.927 115.700 -0.946 0.000 2.527 154 S HA 0.229 4.699 4.470 0.001 0.000 0.222 154 S C 0.185 174.501 174.600 -0.472 0.000 0.985 154 S CA -0.185 57.360 58.200 -1.092 0.000 0.921 154 S CB -0.745 61.976 63.200 -0.799 0.000 0.772 154 S HN 0.729 nan 8.310 nan 0.000 0.529 155 F N -0.493 119.241 119.950 -0.359 0.000 2.613 155 F HA 0.900 5.427 4.527 0.001 0.000 0.314 155 F C -0.227 175.474 175.800 -0.166 0.000 1.075 155 F CA -2.163 55.708 58.000 -0.215 0.000 0.945 155 F CB 0.724 39.626 39.000 -0.164 0.000 1.310 155 F HN 0.003 nan 8.300 nan 0.000 0.467 156 A N 1.694 124.597 122.820 0.138 0.000 2.520 156 A HA 0.490 4.811 4.320 0.001 0.000 0.245 156 A C 0.168 177.868 177.584 0.193 0.000 1.072 156 A CA 0.688 52.788 52.037 0.105 0.000 0.761 156 A CB -0.408 18.653 19.000 0.101 0.000 1.004 156 A HN 1.221 nan 8.150 nan 0.000 0.499 157 S N 1.422 117.199 115.700 0.127 0.000 2.543 157 S HA 0.396 4.867 4.470 0.001 0.000 0.274 157 S C -0.064 174.660 174.600 0.206 0.000 1.149 157 S CA -0.769 57.537 58.200 0.177 0.000 0.866 157 S CB 0.883 64.137 63.200 0.090 0.000 1.111 157 S HN 0.688 nan 8.310 nan 0.000 0.457 158 N N 2.435 121.226 118.700 0.151 0.000 2.205 158 N HA 0.066 4.807 4.740 0.001 0.000 0.201 158 N C -0.133 175.417 175.510 0.067 0.000 1.128 158 N CA -0.098 53.006 53.050 0.090 0.000 0.867 158 N CB 0.086 38.601 38.487 0.046 0.000 0.996 158 N HN 0.672 nan 8.380 nan 0.000 0.503 159 N N 1.662 120.433 118.700 0.118 0.000 2.414 159 N HA 0.147 4.887 4.740 0.001 0.000 0.256 159 N C 0.872 176.470 175.510 0.146 0.000 1.029 159 N CA -0.185 52.896 53.050 0.053 0.000 0.948 159 N CB 1.176 39.707 38.487 0.073 0.000 1.102 159 N HN 0.008 nan 8.380 nan 0.000 0.496 160 I N 4.351 124.915 120.570 -0.010 0.000 2.700 160 I HA -0.237 3.934 4.170 0.001 0.000 0.261 160 I C 0.669 176.970 176.117 0.306 0.000 1.219 160 I CA 0.891 62.232 61.300 0.067 0.000 1.463 160 I CB -0.029 37.912 38.000 -0.098 0.000 1.092 160 I HN 0.668 nan 8.210 nan 0.000 0.452 161 Y N 0.314 120.740 120.300 0.209 0.000 2.616 161 Y HA -0.111 4.440 4.550 0.001 0.000 0.296 161 Y C 1.994 178.001 175.900 0.179 0.000 1.154 161 Y CA 0.199 58.425 58.100 0.211 0.000 1.325 161 Y CB -0.901 37.683 38.460 0.207 0.000 1.007 161 Y HN 0.273 nan 8.280 nan 0.000 0.542 162 D N -1.637 118.926 120.400 0.272 0.000 2.348 162 D HA -0.077 4.563 4.640 0.001 0.000 0.211 162 D C -0.045 176.120 176.300 -0.225 0.000 0.998 162 D CA 0.520 54.503 54.000 -0.028 0.000 0.873 162 D CB -0.120 40.501 40.800 -0.297 0.000 0.925 162 D HN 0.286 nan 8.370 nan 0.000 0.524 163 Y N 1.092 121.407 120.300 0.026 0.000 2.735 163 Y HA 0.109 4.659 4.550 0.001 0.000 0.354 163 Y C 1.407 177.418 175.900 0.186 0.000 1.288 163 Y CA -0.054 58.064 58.100 0.031 0.000 1.836 163 Y CB -0.150 38.305 38.460 -0.007 0.000 1.920 163 Y HN -0.141 nan 8.280 nan 0.000 0.438 164 T N -4.313 110.364 114.554 0.204 0.000 3.044 164 T HA 0.166 4.516 4.350 0.001 0.000 0.260 164 T C 0.316 175.067 174.700 0.084 0.000 1.019 164 T CA -0.427 61.806 62.100 0.222 0.000 0.921 164 T CB 0.036 68.954 68.868 0.083 0.000 1.053 164 T HN 0.187 nan 8.240 nan 0.000 0.533 165 N N 3.180 121.939 118.700 0.098 0.000 2.488 165 N HA 0.145 4.886 4.740 0.001 0.000 0.274 165 N C -0.141 175.418 175.510 0.081 0.000 1.111 165 N CA -0.161 52.946 53.050 0.095 0.000 0.974 165 N CB 1.456 40.070 38.487 0.210 0.000 1.089 165 N HN 0.554 nan 8.380 nan 0.000 0.465 166 E N 0.942 121.157 120.200 0.025 0.000 2.534 166 E HA -0.093 4.257 4.350 0.001 0.000 0.264 166 E C -0.397 176.202 176.600 -0.002 0.000 0.981 166 E CA 0.442 56.846 56.400 0.007 0.000 0.948 166 E CB 0.515 30.198 29.700 -0.027 0.000 0.934 166 E HN 0.477 nan 8.360 nan 0.000 0.459 167 T N 2.402 116.958 114.554 0.003 0.000 2.833 167 T HA 0.579 4.929 4.350 0.001 0.000 0.297 167 T C -0.410 174.264 174.700 -0.043 0.000 1.015 167 T CA -0.369 61.720 62.100 -0.018 0.000 0.963 167 T CB 1.017 69.891 68.868 0.009 0.000 0.955 167 T HN 0.565 nan 8.240 nan 0.000 0.449 168 A N 4.764 127.546 122.820 -0.063 0.000 2.511 168 A HA 0.482 4.802 4.320 0.001 0.000 0.242 168 A C 0.169 177.701 177.584 -0.086 0.000 1.069 168 A CA -0.205 51.787 52.037 -0.075 0.000 0.763 168 A CB -0.347 18.604 19.000 -0.081 0.000 1.001 168 A HN 0.913 nan 8.150 nan 0.000 0.498 169 N N 1.321 119.957 118.700 -0.108 0.000 2.314 169 N HA 0.465 5.205 4.740 0.001 0.000 0.294 169 N C -1.599 173.791 175.510 -0.201 0.000 1.029 169 N CA -0.542 52.422 53.050 -0.144 0.000 0.845 169 N CB 1.673 40.075 38.487 -0.141 0.000 1.321 169 N HN 0.573 nan 8.380 nan 0.000 0.481 170 D N 0.583 120.824 120.400 -0.265 0.000 2.181 170 D HA 0.447 5.088 4.640 0.001 0.000 0.248 170 D C -0.623 175.308 176.300 -0.615 0.000 1.020 170 D CA -0.236 53.497 54.000 -0.445 0.000 0.891 170 D CB 2.064 42.591 40.800 -0.456 0.000 1.187 170 D HN 0.033 nan 8.370 nan 0.000 0.443 171 V N 2.408 121.889 119.914 -0.721 0.000 2.588 171 V HA 0.415 4.536 4.120 0.001 0.000 0.304 171 V C -0.883 174.749 176.094 -0.771 0.000 1.042 171 V CA -0.746 61.189 62.300 -0.607 0.000 0.877 171 V CB 1.257 32.898 31.823 -0.303 0.000 0.996 171 V HN 0.328 nan 8.190 nan 0.000 0.425 172 F N 3.048 122.953 119.950 -0.076 0.000 2.426 172 F HA 0.527 5.054 4.527 0.001 0.000 0.348 172 F C 0.138 175.962 175.800 0.040 0.000 1.124 172 F CA -0.614 57.378 58.000 -0.012 0.000 1.008 172 F CB 1.440 40.457 39.000 0.028 0.000 1.139 172 F HN 0.424 nan 8.300 nan 0.000 0.452 173 D N 3.321 123.833 120.400 0.186 0.000 2.502 173 D HA 0.556 5.197 4.640 0.001 0.000 0.249 173 D C -1.656 174.778 176.300 0.223 0.000 1.092 173 D CA -0.288 53.832 54.000 0.200 0.000 0.839 173 D CB 2.442 43.326 40.800 0.141 0.000 1.264 173 D HN 0.329 nan 8.370 nan 0.000 0.511 174 V N 4.628 124.704 119.914 0.271 0.000 2.577 174 V HA 0.539 4.660 4.120 0.001 0.000 0.303 174 V C -0.172 176.101 176.094 0.299 0.000 1.042 174 V CA -0.738 61.714 62.300 0.253 0.000 0.872 174 V CB 1.879 33.843 31.823 0.234 0.000 0.998 174 V HN 0.481 nan 8.190 nan 0.000 0.423 175 R N 3.858 124.518 120.500 0.266 0.000 2.686 175 R HA 0.778 5.119 4.340 0.001 0.000 0.283 175 R C -1.674 174.750 176.300 0.207 0.000 0.978 175 R CA -0.940 55.334 56.100 0.290 0.000 0.897 175 R CB 2.648 33.102 30.300 0.255 0.000 1.192 175 R HN 0.501 nan 8.270 nan 0.000 0.457 176 L N 1.815 123.165 121.223 0.212 0.000 2.415 176 L HA 0.717 5.058 4.340 0.001 0.000 0.268 176 L C -1.273 175.689 176.870 0.153 0.000 0.984 176 L CA -0.165 54.767 54.840 0.154 0.000 0.853 176 L CB 1.533 43.698 42.059 0.178 0.000 1.215 176 L HN 0.865 nan 8.230 nan 0.000 0.419 177 A N 3.062 125.942 122.820 0.100 0.000 2.387 177 A HA 0.740 5.060 4.320 0.001 0.000 0.298 177 A C -0.049 177.566 177.584 0.052 0.000 1.165 177 A CA -0.227 51.866 52.037 0.094 0.000 0.814 177 A CB 1.213 20.256 19.000 0.072 0.000 1.357 177 A HN 0.739 nan 8.150 nan 0.000 0.443 178 Q N -1.400 118.429 119.800 0.048 0.000 2.503 178 Q HA -0.164 4.176 4.340 0.001 0.000 0.267 178 Q C -0.697 175.336 176.000 0.055 0.000 1.030 178 Q CA 0.974 56.792 55.803 0.025 0.000 1.041 178 Q CB -1.544 27.189 28.738 -0.008 0.000 1.406 178 Q HN 0.736 nan 8.270 nan 0.000 0.524 179 M N 1.395 121.055 119.600 0.101 0.000 2.220 179 M HA 0.093 4.573 4.480 0.001 0.000 0.343 179 M C 0.072 176.442 176.300 0.117 0.000 1.470 179 M CA 0.477 55.867 55.300 0.150 0.000 1.161 179 M CB 0.442 33.167 32.600 0.209 0.000 1.737 179 M HN -0.043 nan 8.290 nan 0.000 0.464 180 E N 3.116 123.378 120.200 0.104 0.000 2.166 180 E HA 0.087 4.437 4.350 0.001 0.000 0.279 180 E C 0.364 177.022 176.600 0.096 0.000 1.095 180 E CA 0.155 56.605 56.400 0.084 0.000 0.888 180 E CB 0.549 30.289 29.700 0.066 0.000 1.041 180 E HN 0.535 nan 8.360 nan 0.000 0.414 181 I N 2.667 123.302 120.570 0.109 0.000 4.288 181 I HA 0.114 4.284 4.170 0.001 0.000 0.331 181 I C -0.226 175.953 176.117 0.104 0.000 1.322 181 I CA 0.407 61.775 61.300 0.113 0.000 1.149 181 I CB -0.507 37.585 38.000 0.153 0.000 1.112 181 I HN 0.569 nan 8.210 nan 0.000 0.403 182 N N 0.618 119.384 118.700 0.110 0.000 3.452 182 N HA 0.151 4.891 4.740 0.001 0.000 0.231 182 N C -3.323 172.242 175.510 0.091 0.000 1.264 182 N CA -0.889 52.220 53.050 0.098 0.000 0.928 182 N CB 1.127 39.682 38.487 0.114 0.000 1.547 182 N HN -0.324 nan 8.380 nan 0.000 0.509 183 P HA 0.179 nan 4.420 nan 0.000 0.262 183 P C 0.925 178.265 177.300 0.066 0.000 1.199 183 P CA 1.401 64.535 63.100 0.058 0.000 0.763 183 P CB -0.012 31.715 31.700 0.046 0.000 0.790 184 G N 2.405 111.238 108.800 0.054 0.000 2.155 184 G HA2 -0.114 3.846 3.960 0.001 0.000 0.257 184 G HA3 -0.114 3.846 3.960 0.001 0.000 0.257 184 G C 0.401 175.328 174.900 0.044 0.000 0.983 184 G CA -0.212 44.917 45.100 0.050 0.000 0.676 184 G HN 0.918 nan 8.290 nan 0.000 0.528 185 G N -0.283 108.546 108.800 0.049 0.000 2.609 185 G HA2 0.810 4.771 3.960 0.001 0.000 0.308 185 G HA3 0.810 4.771 3.960 0.001 0.000 0.308 185 G C -0.235 174.637 174.900 -0.047 0.000 1.369 185 G CA 0.611 45.711 45.100 -0.001 0.000 0.958 185 G HN 1.199 nan 8.290 nan 0.000 0.499 186 T N -0.616 113.822 114.554 -0.193 0.000 2.932 186 T HA 0.751 5.101 4.350 0.001 0.000 0.289 186 T C -0.817 173.841 174.700 -0.071 0.000 1.039 186 T CA -0.862 61.192 62.100 -0.077 0.000 1.024 186 T CB 2.100 70.938 68.868 -0.049 0.000 1.090 186 T HN 0.590 nan 8.240 nan 0.000 0.496 187 L N 0.878 122.146 121.223 0.075 0.000 2.386 187 L HA 0.747 5.087 4.340 0.001 0.000 0.271 187 L C -0.656 176.304 176.870 0.151 0.000 0.993 187 L CA -0.570 54.362 54.840 0.152 0.000 0.819 187 L CB 1.899 44.082 42.059 0.205 0.000 1.294 187 L HN 1.002 nan 8.230 nan 0.000 0.414 188 E N 3.714 124.021 120.200 0.179 0.000 2.248 188 E HA 0.602 4.952 4.350 0.001 0.000 0.267 188 E C -1.965 174.760 176.600 0.208 0.000 0.877 188 E CA -0.715 55.812 56.400 0.211 0.000 0.759 188 E CB 1.585 31.450 29.700 0.275 0.000 1.182 188 E HN 0.540 nan 8.360 nan 0.000 0.418 189 L N 2.828 124.183 121.223 0.219 0.000 2.365 189 L HA 0.778 5.118 4.340 0.001 0.000 0.273 189 L C -0.038 176.992 176.870 0.266 0.000 1.000 189 L CA -0.350 54.603 54.840 0.188 0.000 0.819 189 L CB 1.925 44.091 42.059 0.179 0.000 1.284 189 L HN 0.670 nan 8.230 nan 0.000 0.418 190 G N 1.807 110.723 108.800 0.194 0.000 2.659 190 G HA2 0.678 4.639 3.960 0.001 0.000 0.296 190 G HA3 0.678 4.639 3.960 0.001 0.000 0.296 190 G C -1.978 173.077 174.900 0.258 0.000 1.369 190 G CA -0.472 44.835 45.100 0.345 0.000 0.937 190 G HN 0.304 nan 8.290 nan 0.000 0.485 191 V N 1.451 121.568 119.914 0.339 0.000 2.531 191 V HA 0.491 4.611 4.120 0.001 0.000 0.301 191 V C -1.241 175.020 176.094 0.279 0.000 1.034 191 V CA -0.907 61.579 62.300 0.310 0.000 0.865 191 V CB 1.983 34.062 31.823 0.427 0.000 0.995 191 V HN 0.706 nan 8.190 nan 0.000 0.424 192 D N 2.868 123.363 120.400 0.158 0.000 2.505 192 D HA 0.338 4.978 4.640 0.001 0.000 0.249 192 D C -1.478 174.822 176.300 0.001 0.000 1.082 192 D CA -0.244 53.830 54.000 0.124 0.000 0.839 192 D CB 2.797 43.663 40.800 0.112 0.000 1.317 192 D HN 0.536 nan 8.370 nan 0.000 0.497 193 Y N 1.237 121.404 120.300 -0.221 0.000 2.334 193 Y HA 0.520 5.070 4.550 0.001 0.000 0.336 193 Y C -0.315 175.413 175.900 -0.287 0.000 0.960 193 Y CA -0.767 56.980 58.100 -0.588 0.000 1.164 193 Y CB 1.505 39.457 38.460 -0.846 0.000 1.155 193 Y HN 0.370 nan 8.280 nan 0.000 0.478 194 G N 6.359 114.641 108.800 -0.864 0.000 2.495 194 G HA2 0.706 4.666 3.960 0.001 0.000 0.318 194 G HA3 0.706 4.666 3.960 0.001 0.000 0.318 194 G C -1.684 172.738 174.900 -0.797 0.000 1.257 194 G CA -1.277 43.411 45.100 -0.686 0.000 0.962 194 G HN 0.841 nan 8.290 nan 0.000 0.483 195 R N 0.336 120.507 120.500 -0.548 0.000 2.668 195 R HA 0.747 5.087 4.340 0.001 0.000 0.272 195 R C -0.422 175.763 176.300 -0.191 0.000 1.019 195 R CA -0.914 54.974 56.100 -0.353 0.000 0.894 195 R CB 1.462 31.587 30.300 -0.293 0.000 1.228 195 R HN 0.747 nan 8.270 nan 0.000 0.460 196 A N 1.933 124.679 122.820 -0.123 0.000 2.477 196 A HA 0.174 4.494 4.320 0.001 0.000 0.246 196 A C -0.406 177.149 177.584 -0.048 0.000 1.078 196 A CA -0.245 51.745 52.037 -0.078 0.000 0.770 196 A CB 0.096 19.066 19.000 -0.049 0.000 1.011 196 A HN 0.717 nan 8.150 nan 0.000 0.494 197 N N 2.768 121.441 118.700 -0.046 0.000 2.696 197 N HA 0.332 5.072 4.740 0.001 0.000 0.246 197 N C -1.109 174.380 175.510 -0.035 0.000 1.057 197 N CA -0.270 52.764 53.050 -0.027 0.000 0.867 197 N CB 0.144 38.614 38.487 -0.028 0.000 1.141 197 N HN 0.571 nan 8.380 nan 0.000 0.517 198 L N 2.453 123.666 121.223 -0.016 0.000 2.426 198 L HA 0.344 4.685 4.340 0.001 0.000 0.271 198 L C 1.372 178.206 176.870 -0.060 0.000 1.169 198 L CA -0.470 54.359 54.840 -0.019 0.000 0.836 198 L CB 0.681 42.767 42.059 0.044 0.000 1.112 198 L HN 0.254 nan 8.230 nan 0.000 0.465 199 R N 0.867 121.259 120.500 -0.180 0.000 2.738 199 R HA 0.005 4.346 4.340 0.001 0.000 0.268 199 R C -0.316 175.965 176.300 -0.031 0.000 1.062 199 R CA -0.687 55.271 56.100 -0.236 0.000 1.158 199 R CB 0.218 30.122 30.300 -0.660 0.000 1.046 199 R HN 0.489 nan 8.270 nan 0.000 0.493 200 D N 1.697 122.105 120.400 0.012 0.000 2.586 200 D HA -0.112 4.529 4.640 0.001 0.000 0.234 200 D C 0.065 176.493 176.300 0.213 0.000 1.132 200 D CA 0.978 55.032 54.000 0.089 0.000 0.860 200 D CB 0.207 41.044 40.800 0.063 0.000 1.159 200 D HN 0.483 nan 8.370 nan 0.000 0.490 201 N N 1.464 120.267 118.700 0.171 0.000 2.878 201 N HA -0.260 4.480 4.740 0.001 0.000 0.247 201 N C -0.812 174.802 175.510 0.173 0.000 1.021 201 N CA 0.729 53.870 53.050 0.151 0.000 0.873 201 N CB -1.512 37.042 38.487 0.111 0.000 1.128 201 N HN 0.388 nan 8.380 nan 0.000 0.571 202 Y N 0.346 120.643 120.300 -0.006 0.000 2.458 202 Y HA 0.648 5.198 4.550 0.001 0.000 0.322 202 Y C 1.130 177.026 175.900 -0.006 0.000 1.259 202 Y CA -0.252 57.832 58.100 -0.027 0.000 1.302 202 Y CB 0.882 39.323 38.460 -0.031 0.000 1.314 202 Y HN -0.126 nan 8.280 nan 0.000 0.509 203 R N 0.187 120.760 120.500 0.122 0.000 2.774 203 R HA 0.615 4.955 4.340 0.001 0.000 0.272 203 R C -1.638 174.808 176.300 0.244 0.000 1.000 203 R CA -0.678 55.506 56.100 0.139 0.000 0.906 203 R CB 1.704 32.069 30.300 0.109 0.000 1.227 203 R HN 0.560 nan 8.270 nan 0.000 0.468 204 L N 1.106 122.441 121.223 0.188 0.000 2.375 204 L HA 0.508 4.848 4.340 0.001 0.000 0.268 204 L C 0.208 177.080 176.870 0.003 0.000 1.058 204 L CA -1.216 53.701 54.840 0.128 0.000 0.803 204 L CB 1.481 43.555 42.059 0.026 0.000 1.212 204 L HN 0.304 nan 8.230 nan 0.000 0.451 205 V N 1.040 120.731 119.914 -0.372 0.000 2.901 205 V HA -0.085 4.035 4.120 0.001 0.000 0.307 205 V C 0.142 176.091 176.094 -0.241 0.000 1.084 205 V CA 0.059 62.003 62.300 -0.593 0.000 1.184 205 V CB 0.914 32.296 31.823 -0.735 0.000 0.941 205 V HN 0.662 nan 8.190 nan 0.000 0.493 206 D N 3.531 123.826 120.400 -0.174 0.000 2.533 206 D HA 0.330 4.970 4.640 0.001 0.000 0.236 206 D C 1.006 177.248 176.300 -0.097 0.000 1.137 206 D CA 1.688 55.634 54.000 -0.090 0.000 0.867 206 D CB 0.850 41.613 40.800 -0.062 0.000 1.170 206 D HN 0.986 nan 8.370 nan 0.000 0.474 207 G N 1.694 110.456 108.800 -0.064 0.000 2.176 207 G HA2 -0.213 3.747 3.960 0.001 0.000 0.253 207 G HA3 -0.213 3.747 3.960 0.001 0.000 0.253 207 G C 0.554 175.411 174.900 -0.072 0.000 0.979 207 G CA 0.314 45.379 45.100 -0.059 0.000 0.641 207 G HN 0.887 nan 8.290 nan 0.000 0.530 208 A N 0.714 123.481 122.820 -0.089 0.000 2.531 208 A HA 0.586 4.906 4.320 0.001 0.000 0.236 208 A C 1.912 179.461 177.584 -0.058 0.000 1.062 208 A CA 1.390 53.370 52.037 -0.096 0.000 0.760 208 A CB 0.188 19.130 19.000 -0.096 0.000 0.995 208 A HN 1.785 nan 8.150 nan 0.000 0.501 209 S N 1.862 117.522 115.700 -0.067 0.000 2.359 209 S HA -0.245 4.225 4.470 0.001 0.000 0.224 209 S C 1.521 176.114 174.600 -0.013 0.000 1.035 209 S CA 1.760 59.942 58.200 -0.031 0.000 1.018 209 S CB -0.471 62.704 63.200 -0.043 0.000 0.876 209 S HN 1.179 nan 8.310 nan 0.000 0.448 210 K N 0.424 120.803 120.400 -0.035 0.000 7.487 210 K HA -0.275 4.045 4.320 0.001 0.000 0.481 210 K C -0.541 176.029 176.600 -0.050 0.000 0.360 210 K CA 2.049 58.321 56.287 -0.027 0.000 1.960 210 K CB -1.801 30.704 32.500 0.008 0.000 0.652 210 K HN 0.758 nan 8.250 nan 0.000 0.846 211 D N -1.460 118.923 120.400 -0.029 0.000 2.752 211 D HA 0.682 5.322 4.640 0.001 0.000 0.313 211 D C -0.025 176.254 176.300 -0.035 0.000 1.225 211 D CA 0.123 54.062 54.000 -0.101 0.000 0.976 211 D CB 1.440 42.195 40.800 -0.075 0.000 1.443 211 D HN 0.489 nan 8.370 nan 0.000 0.515 212 G N -2.198 106.530 108.800 -0.121 0.000 2.356 212 G HA2 0.459 4.419 3.960 0.001 0.000 0.294 212 G HA3 0.459 4.419 3.960 0.001 0.000 0.294 212 G C -2.346 172.474 174.900 -0.133 0.000 1.423 212 G CA -1.110 44.010 45.100 0.034 0.000 0.806 212 G HN 0.318 nan 8.290 nan 0.000 0.527 213 W N -0.877 120.435 121.300 0.020 0.000 2.950 213 W HA 0.756 5.416 4.660 0.001 0.000 0.340 213 W C -0.736 175.610 176.519 -0.288 0.000 1.139 213 W CA -0.843 56.419 57.345 -0.139 0.000 1.188 213 W CB 2.388 31.705 29.460 -0.238 0.000 1.426 213 W HN 0.510 nan 8.180 nan 0.000 0.531 214 L N 2.553 123.658 121.223 -0.195 0.000 2.409 214 L HA 0.700 5.040 4.340 0.001 0.000 0.272 214 L C -1.930 174.727 176.870 -0.355 0.000 0.980 214 L CA -0.800 53.921 54.840 -0.199 0.000 0.826 214 L CB 0.717 42.724 42.059 -0.087 0.000 1.268 214 L HN 0.266 nan 8.230 nan 0.000 0.407 215 F N 2.632 122.653 119.950 0.118 0.000 2.482 215 F HA 0.742 5.269 4.527 0.001 0.000 0.331 215 F C 0.350 176.088 175.800 -0.103 0.000 1.115 215 F CA -0.438 57.599 58.000 0.061 0.000 0.955 215 F CB 2.397 41.466 39.000 0.114 0.000 1.136 215 F HN 0.396 nan 8.300 nan 0.000 0.452 216 T N 2.296 116.794 114.554 -0.093 0.000 2.863 216 T HA 0.821 5.171 4.350 0.001 0.000 0.285 216 T C -0.984 173.607 174.700 -0.182 0.000 1.009 216 T CA -0.794 61.093 62.100 -0.355 0.000 0.989 216 T CB 1.766 69.935 68.868 -1.165 0.000 1.004 216 T HN 0.709 nan 8.240 nan 0.000 0.455 217 A N 2.433 125.180 122.820 -0.122 0.000 2.375 217 A HA 0.732 5.052 4.320 0.001 0.000 0.295 217 A C -0.784 176.811 177.584 0.018 0.000 1.066 217 A CA -0.694 51.339 52.037 -0.007 0.000 0.722 217 A CB 1.217 20.244 19.000 0.044 0.000 1.206 217 A HN 0.804 nan 8.150 nan 0.000 0.435 218 E N 2.054 122.321 120.200 0.112 0.000 2.218 218 E HA 0.333 4.683 4.350 0.001 0.000 0.263 218 E C -1.468 175.279 176.600 0.244 0.000 0.879 218 E CA -0.529 55.980 56.400 0.181 0.000 0.762 218 E CB 1.077 30.937 29.700 0.268 0.000 1.166 218 E HN 0.810 nan 8.360 nan 0.000 0.415 219 H N 3.559 122.749 119.070 0.201 0.000 2.476 219 H HA 0.380 4.936 4.556 0.001 0.000 0.328 219 H C -1.306 174.136 175.328 0.190 0.000 1.073 219 H CA -0.227 55.943 56.048 0.203 0.000 1.229 219 H CB 1.519 31.427 29.762 0.244 0.000 1.432 219 H HN 0.420 nan 8.280 nan 0.000 0.477 220 T N 5.123 119.435 114.554 -0.403 0.000 2.786 220 T HA 0.124 4.474 4.350 0.001 0.000 0.283 220 T C -0.347 174.169 174.700 -0.306 0.000 0.992 220 T CA -0.666 61.314 62.100 -0.199 0.000 0.954 220 T CB 1.488 70.285 68.868 -0.119 0.000 0.934 220 T HN 0.516 nan 8.240 nan 0.000 0.440 221 Q N 2.164 121.956 119.800 -0.015 0.000 2.333 221 Q HA 0.485 4.825 4.340 0.001 0.000 0.268 221 Q C -0.357 175.729 176.000 0.143 0.000 1.007 221 Q CA -0.391 55.468 55.803 0.092 0.000 0.810 221 Q CB 1.591 30.486 28.738 0.263 0.000 1.264 221 Q HN 0.614 nan 8.270 nan 0.000 0.452 222 S N 3.718 119.481 115.700 0.105 0.000 2.465 222 S HA 0.576 5.046 4.470 0.001 0.000 0.280 222 S C -0.652 174.018 174.600 0.117 0.000 1.232 222 S CA -0.300 57.972 58.200 0.120 0.000 1.066 222 S CB -0.428 62.819 63.200 0.078 0.000 0.929 222 S HN 0.458 nan 8.310 nan 0.000 0.494 223 V N 4.887 124.879 119.914 0.130 0.000 2.971 223 V HA 0.452 4.573 4.120 0.001 0.000 0.309 223 V C 0.211 176.365 176.094 0.100 0.000 1.130 223 V CA -1.355 61.009 62.300 0.105 0.000 0.964 223 V CB 1.411 33.297 31.823 0.106 0.000 1.029 223 V HN 0.897 nan 8.190 nan 0.000 0.427 224 L N 2.572 123.843 121.223 0.079 0.000 3.954 224 L HA -0.270 4.071 4.340 0.001 0.000 0.462 224 L C 1.315 178.240 176.870 0.092 0.000 1.195 224 L CA 0.930 55.815 54.840 0.074 0.000 0.739 224 L CB -1.402 40.696 42.059 0.064 0.000 1.599 224 L HN 1.054 nan 8.230 nan 0.000 0.838 225 K N -2.719 117.739 120.400 0.096 0.000 3.349 225 K HA -0.229 4.091 4.320 0.001 0.000 0.310 225 K C 0.881 177.572 176.600 0.151 0.000 1.267 225 K CA 1.077 57.430 56.287 0.110 0.000 0.920 225 K CB -1.180 31.381 32.500 0.101 0.000 1.240 225 K HN 0.812 nan 8.250 nan 0.000 0.453 226 G N 0.083 108.983 108.800 0.166 0.000 3.265 226 G HA2 0.725 4.685 3.960 0.001 0.000 0.171 226 G HA3 0.725 4.685 3.960 0.001 0.000 0.171 226 G C -0.930 174.145 174.900 0.292 0.000 1.110 226 G CA -0.171 45.068 45.100 0.231 0.000 0.855 226 G HN 0.248 nan 8.290 nan 0.000 0.658 227 F N -1.162 118.868 119.950 0.134 0.000 2.741 227 F HA 0.716 5.243 4.527 0.001 0.000 0.313 227 F C -1.457 174.407 175.800 0.108 0.000 1.153 227 F CA -1.415 56.637 58.000 0.086 0.000 0.931 227 F CB 1.895 40.908 39.000 0.022 0.000 1.335 227 F HN 0.512 nan 8.300 nan 0.000 0.460 228 N N 1.578 120.437 118.700 0.264 0.000 2.295 228 N HA 0.399 5.139 4.740 0.001 0.000 0.293 228 N C -2.092 173.579 175.510 0.268 0.000 1.040 228 N CA -0.563 52.609 53.050 0.204 0.000 0.840 228 N CB 2.582 41.222 38.487 0.255 0.000 1.468 228 N HN 0.812 nan 8.380 nan 0.000 0.478 229 K N 2.448 122.922 120.400 0.123 0.000 2.376 229 K HA 0.361 4.681 4.320 0.001 0.000 0.257 229 K C -1.499 175.213 176.600 0.186 0.000 0.939 229 K CA -0.595 55.752 56.287 0.101 0.000 0.809 229 K CB 1.798 34.227 32.500 -0.118 0.000 1.121 229 K HN 0.374 nan 8.250 nan 0.000 0.425 230 F N 4.071 124.112 119.950 0.151 0.000 2.449 230 F HA 0.510 5.037 4.527 0.001 0.000 0.342 230 F C -1.264 174.610 175.800 0.123 0.000 1.127 230 F CA -0.717 57.364 58.000 0.136 0.000 0.975 230 F CB 0.981 40.066 39.000 0.142 0.000 1.146 230 F HN 0.143 nan 8.300 nan 0.000 0.444 231 V N 6.389 125.867 119.914 -0.726 0.000 2.656 231 V HA 0.673 4.794 4.120 0.001 0.000 0.307 231 V C -1.034 174.674 176.094 -0.644 0.000 1.051 231 V CA -0.890 61.118 62.300 -0.487 0.000 0.893 231 V CB 1.905 33.532 31.823 -0.327 0.000 0.999 231 V HN 0.589 nan 8.190 nan 0.000 0.426 232 V N 4.259 123.941 119.914 -0.387 0.000 2.577 232 V HA 0.569 4.690 4.120 0.001 0.000 0.303 232 V C -0.649 175.379 176.094 -0.110 0.000 1.042 232 V CA -0.490 61.670 62.300 -0.233 0.000 0.872 232 V CB 1.845 33.589 31.823 -0.131 0.000 0.998 232 V HN 0.966 nan 8.190 nan 0.000 0.423 233 Q N 2.693 122.463 119.800 -0.049 0.000 2.389 233 Q HA 0.636 4.977 4.340 0.001 0.000 0.277 233 Q C -1.990 174.099 176.000 0.149 0.000 1.082 233 Q CA -0.824 54.983 55.803 0.007 0.000 0.810 233 Q CB 3.470 32.171 28.738 -0.061 0.000 1.374 233 Q HN 0.749 nan 8.270 nan 0.000 0.422 234 Y N 0.558 120.908 120.300 0.084 0.000 2.354 234 Y HA 0.710 5.260 4.550 0.001 0.000 0.330 234 Y C -1.688 174.336 175.900 0.207 0.000 1.011 234 Y CA -0.500 57.692 58.100 0.154 0.000 1.099 234 Y CB 1.371 39.938 38.460 0.178 0.000 1.179 234 Y HN 0.730 nan 8.280 nan 0.000 0.442 235 A N 3.518 126.148 122.820 -0.318 0.000 2.430 235 A HA 0.883 5.203 4.320 0.001 0.000 0.300 235 A C -1.062 176.360 177.584 -0.269 0.000 1.124 235 A CA -0.754 51.177 52.037 -0.176 0.000 0.766 235 A CB 1.863 20.821 19.000 -0.070 0.000 1.328 235 A HN 0.617 nan 8.150 nan 0.000 0.424 236 T N 0.981 115.522 114.554 -0.022 0.000 2.886 236 T HA 0.520 4.871 4.350 0.001 0.000 0.292 236 T C -0.252 174.526 174.700 0.129 0.000 1.012 236 T CA 0.218 62.375 62.100 0.095 0.000 0.982 236 T CB 0.934 69.962 68.868 0.267 0.000 1.018 236 T HN 0.815 nan 8.240 nan 0.000 0.451 237 D N 1.632 122.121 120.400 0.147 0.000 4.056 237 D HA -0.283 4.357 4.640 0.001 0.000 0.169 237 D C 1.842 178.188 176.300 0.076 0.000 0.744 237 D CA 2.283 56.355 54.000 0.120 0.000 1.006 237 D CB -1.434 39.434 40.800 0.114 0.000 0.448 237 D HN 0.673 nan 8.370 nan 0.000 0.412 238 S N -0.358 115.356 115.700 0.023 0.000 2.465 238 S HA -0.134 4.336 4.470 0.001 0.000 0.241 238 S C 1.657 176.245 174.600 -0.019 0.000 1.000 238 S CA 1.516 59.700 58.200 -0.027 0.000 0.964 238 S CB -0.129 63.026 63.200 -0.075 0.000 0.763 238 S HN 0.384 nan 8.310 nan 0.000 0.512 239 M N 2.105 121.706 119.600 0.002 0.000 2.495 239 M HA 0.121 4.602 4.480 0.001 0.000 0.237 239 M C 1.910 178.238 176.300 0.047 0.000 1.131 239 M CA 1.074 56.373 55.300 -0.001 0.000 1.032 239 M CB -0.987 31.600 32.600 -0.022 0.000 1.513 239 M HN 0.700 nan 8.290 nan 0.000 0.488 240 T N -2.426 112.196 114.554 0.112 0.000 3.035 240 T HA 0.012 4.362 4.350 0.001 0.000 0.259 240 T C 1.915 176.767 174.700 0.253 0.000 1.078 240 T CA 1.141 63.343 62.100 0.172 0.000 1.132 240 T CB -0.226 68.819 68.868 0.296 0.000 0.900 240 T HN 0.359 nan 8.240 nan 0.000 0.480 241 S N 1.171 117.033 115.700 0.270 0.000 2.362 241 S HA -0.041 4.429 4.470 0.001 0.000 0.221 241 S C 2.215 176.915 174.600 0.168 0.000 1.032 241 S CA 0.386 58.773 58.200 0.311 0.000 0.973 241 S CB -0.587 62.712 63.200 0.165 0.000 0.849 241 S HN 0.402 nan 8.310 nan 0.000 0.465 242 Q N 1.573 121.426 119.800 0.088 0.000 2.049 242 Q HA 0.049 4.390 4.340 0.001 0.000 0.198 242 Q C 1.599 177.637 176.000 0.063 0.000 0.971 242 Q CA 1.342 57.176 55.803 0.051 0.000 0.833 242 Q CB -0.577 28.165 28.738 0.006 0.000 0.896 242 Q HN 0.792 nan 8.270 nan 0.000 0.434 243 G N 0.893 109.731 108.800 0.062 0.000 2.148 243 G HA2 -0.275 3.686 3.960 0.001 0.000 0.254 243 G HA3 -0.275 3.686 3.960 0.001 0.000 0.254 243 G C 0.544 175.477 174.900 0.054 0.000 0.981 243 G CA 0.794 45.935 45.100 0.068 0.000 0.670 243 G HN 0.446 nan 8.290 nan 0.000 0.528 244 K N -1.008 119.414 120.400 0.036 0.000 2.477 244 K HA 0.503 4.824 4.320 0.001 0.000 0.208 244 K C 1.488 178.163 176.600 0.124 0.000 1.117 244 K CA 0.302 56.620 56.287 0.052 0.000 1.039 244 K CB 1.470 33.958 32.500 -0.020 0.000 0.937 244 K HN 1.156 nan 8.250 nan 0.000 0.570 245 G N 1.241 110.089 108.800 0.080 0.000 2.318 245 G HA2 -0.128 3.832 3.960 0.001 0.000 0.172 245 G HA3 -0.128 3.832 3.960 0.001 0.000 0.172 245 G C -0.202 174.702 174.900 0.007 0.000 1.002 245 G CA -0.660 44.503 45.100 0.104 0.000 0.697 245 G HN 0.030 nan 8.290 nan 0.000 0.483 246 L N 1.764 122.972 121.223 -0.025 0.000 2.343 246 L HA 0.734 5.074 4.340 0.001 0.000 0.275 246 L C 0.760 177.581 176.870 -0.081 0.000 1.056 246 L CA -0.666 54.131 54.840 -0.070 0.000 0.804 246 L CB 1.797 43.815 42.059 -0.069 0.000 1.203 246 L HN 0.200 nan 8.230 nan 0.000 0.440 247 S N 1.837 117.463 115.700 -0.124 0.000 2.578 247 S HA 0.360 4.830 4.470 0.001 0.000 0.283 247 S C -0.441 174.097 174.600 -0.103 0.000 1.195 247 S CA -0.473 57.649 58.200 -0.130 0.000 1.050 247 S CB 1.116 64.194 63.200 -0.205 0.000 1.012 247 S HN 0.669 nan 8.310 nan 0.000 0.511 248 Q N 2.737 122.486 119.800 -0.085 0.000 3.300 248 Q HA 0.301 4.642 4.340 0.001 0.000 0.271 248 Q C 0.932 176.879 176.000 -0.089 0.000 0.926 248 Q CA -0.412 55.343 55.803 -0.079 0.000 0.788 248 Q CB 0.827 29.526 28.738 -0.065 0.000 1.385 248 Q HN 0.961 nan 8.270 nan 0.000 0.424 249 G N 0.166 108.912 108.800 -0.091 0.000 2.484 249 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 249 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 249 G C 1.465 176.316 174.900 -0.080 0.000 1.130 249 G CA 1.043 46.093 45.100 -0.084 0.000 0.784 249 G HN 0.542 nan 8.290 nan 0.000 0.543 250 S N -0.037 115.616 115.700 -0.077 0.000 2.387 250 S HA 0.243 4.713 4.470 0.001 0.000 0.226 250 S C 2.110 176.630 174.600 -0.134 0.000 1.026 250 S CA 1.311 59.465 58.200 -0.075 0.000 0.972 250 S CB -0.498 62.681 63.200 -0.034 0.000 0.814 250 S HN 1.515 nan 8.310 nan 0.000 0.477 251 G N 0.256 108.958 108.800 -0.163 0.000 2.153 251 G HA2 -0.210 3.751 3.960 0.001 0.000 0.252 251 G HA3 -0.210 3.751 3.960 0.001 0.000 0.252 251 G C -0.007 174.728 174.900 -0.274 0.000 0.994 251 G CA 0.296 45.260 45.100 -0.227 0.000 0.698 251 G HN 0.870 nan 8.290 nan 0.000 0.521 252 V N 0.029 119.783 119.914 -0.266 0.000 2.513 252 V HA 0.894 5.014 4.120 0.001 0.000 0.299 252 V C 0.497 176.313 176.094 -0.463 0.000 1.035 252 V CA -0.100 61.974 62.300 -0.377 0.000 0.889 252 V CB 1.628 33.270 31.823 -0.302 0.000 0.988 252 V HN 1.197 nan 8.190 nan 0.000 0.440 253 A N 3.871 126.241 122.820 -0.750 0.000 2.435 253 A HA 0.983 5.303 4.320 0.001 0.000 0.296 253 A C -1.508 175.554 177.584 -0.870 0.000 1.147 253 A CA -0.489 51.127 52.037 -0.700 0.000 0.775 253 A CB 1.526 20.077 19.000 -0.749 0.000 1.340 253 A HN 0.585 nan 8.150 nan 0.000 0.427 254 F N 0.716 120.664 119.950 -0.004 0.000 2.540 254 F HA 0.416 4.944 4.527 0.001 0.000 0.317 254 F C 0.352 176.352 175.800 0.334 0.000 1.104 254 F CA -0.526 57.576 58.000 0.171 0.000 0.913 254 F CB 2.029 41.067 39.000 0.063 0.000 1.170 254 F HN 0.770 nan 8.300 nan 0.000 0.450 255 D N 0.244 120.915 120.400 0.451 0.000 2.425 255 D HA 0.093 4.734 4.640 0.001 0.000 0.274 255 D C 0.325 176.755 176.300 0.216 0.000 1.242 255 D CA -0.239 53.925 54.000 0.273 0.000 1.060 255 D CB 0.223 40.905 40.800 -0.197 0.000 1.112 255 D HN 0.537 nan 8.370 nan 0.000 0.561 256 N N -1.137 117.659 118.700 0.160 0.000 2.396 256 N HA -0.066 4.674 4.740 0.001 0.000 0.180 256 N C 0.685 176.234 175.510 0.065 0.000 1.028 256 N CA 0.497 53.610 53.050 0.105 0.000 0.893 256 N CB 0.086 38.630 38.487 0.095 0.000 0.967 256 N HN 0.457 nan 8.380 nan 0.000 0.440 257 E N 0.546 120.796 120.200 0.082 0.000 2.465 257 E HA 0.082 4.432 4.350 0.001 0.000 0.191 257 E C -0.150 176.349 176.600 -0.168 0.000 1.053 257 E CA 0.036 56.442 56.400 0.010 0.000 0.869 257 E CB 0.393 30.192 29.700 0.165 0.000 0.977 257 E HN 0.069 nan 8.360 nan 0.000 0.483 258 K N -0.320 120.051 120.400 -0.048 0.000 3.339 258 K HA -0.162 4.158 4.320 0.001 0.000 0.299 258 K C -0.816 175.767 176.600 -0.029 0.000 1.270 258 K CA 0.588 56.839 56.287 -0.059 0.000 0.875 258 K CB -2.017 30.348 32.500 -0.225 0.000 1.298 258 K HN 0.130 nan 8.250 nan 0.000 0.485 259 F N 1.201 121.185 119.950 0.056 0.000 2.427 259 F HA 0.370 4.897 4.527 0.001 0.000 0.352 259 F C 1.314 177.198 175.800 0.140 0.000 1.100 259 F CA -0.207 57.744 58.000 -0.082 0.000 1.191 259 F CB 0.808 39.657 39.000 -0.252 0.000 1.128 259 F HN 0.069 nan 8.300 nan 0.000 0.533 260 A N 4.478 127.489 122.820 0.319 0.000 2.354 260 A HA 0.571 4.891 4.320 0.001 0.000 0.269 260 A C -1.213 176.505 177.584 0.222 0.000 1.109 260 A CA -0.261 51.744 52.037 -0.054 0.000 0.800 260 A CB -0.066 18.906 19.000 -0.047 0.000 1.045 260 A HN 0.751 nan 8.150 nan 0.000 0.489 261 Y N 0.455 120.676 120.300 -0.132 0.000 2.588 261 Y HA 0.588 5.138 4.550 0.001 0.000 0.343 261 Y C -0.607 175.228 175.900 -0.107 0.000 1.065 261 Y CA -1.878 56.200 58.100 -0.037 0.000 1.038 261 Y CB 1.144 39.641 38.460 0.061 0.000 1.297 261 Y HN 0.525 nan 8.280 nan 0.000 0.467 262 N N 2.761 121.442 118.700 -0.032 0.000 2.422 262 N HA 0.260 5.000 4.740 0.001 0.000 0.264 262 N C -0.461 174.953 175.510 -0.160 0.000 1.063 262 N CA -0.267 52.690 53.050 -0.156 0.000 0.959 262 N CB 0.658 39.080 38.487 -0.107 0.000 1.087 262 N HN 0.875 nan 8.380 nan 0.000 0.483 263 I N 0.340 120.735 120.570 -0.291 0.000 3.158 263 I HA 0.287 4.457 4.170 0.001 0.000 0.344 263 I C 0.370 176.228 176.117 -0.432 0.000 1.459 263 I CA -0.910 60.197 61.300 -0.322 0.000 0.956 263 I CB -0.164 37.633 38.000 -0.338 0.000 1.793 263 I HN 0.210 nan 8.210 nan 0.000 0.522 264 N N 3.962 122.451 118.700 -0.351 0.000 2.219 264 N HA -0.139 4.602 4.740 0.001 0.000 0.263 264 N C 0.263 175.425 175.510 -0.579 0.000 1.269 264 N CA 0.934 53.773 53.050 -0.352 0.000 0.831 264 N CB 0.404 38.750 38.487 -0.234 0.000 1.059 264 N HN 0.817 nan 8.380 nan 0.000 0.475 265 N N 1.496 119.889 118.700 -0.511 0.000 2.275 265 N HA 0.044 4.785 4.740 0.001 0.000 0.236 265 N C -0.722 174.657 175.510 -0.219 0.000 1.154 265 N CA -0.685 51.951 53.050 -0.690 0.000 0.866 265 N CB 0.168 38.411 38.487 -0.407 0.000 1.093 265 N HN 0.278 nan 8.380 nan 0.000 0.515 266 N N 1.565 120.184 118.700 -0.134 0.000 2.454 266 N HA 0.205 4.946 4.740 0.001 0.000 0.260 266 N C 0.759 176.375 175.510 0.177 0.000 1.218 266 N CA 1.224 54.295 53.050 0.036 0.000 0.904 266 N CB 1.414 39.911 38.487 0.018 0.000 1.065 266 N HN 0.628 nan 8.380 nan 0.000 0.462 267 G N 0.715 109.647 108.800 0.220 0.000 2.291 267 G HA2 0.029 3.989 3.960 0.001 0.000 0.249 267 G HA3 0.029 3.989 3.960 0.001 0.000 0.249 267 G C -1.626 173.405 174.900 0.218 0.000 1.340 267 G CA -0.667 44.578 45.100 0.241 0.000 1.017 267 G HN 0.849 nan 8.290 nan 0.000 0.470 268 H N -1.267 117.842 119.070 0.065 0.000 3.017 268 H HA 0.764 5.321 4.556 0.001 0.000 0.346 268 H C -1.184 174.044 175.328 -0.166 0.000 1.286 268 H CA -0.769 55.221 56.048 -0.096 0.000 1.120 268 H CB 1.709 31.400 29.762 -0.117 0.000 1.860 268 H HN 0.934 nan 8.280 nan 0.000 0.542 269 M N 2.565 122.082 119.600 -0.139 0.000 2.393 269 M HA 0.422 4.902 4.480 0.001 0.000 0.299 269 M C -2.126 174.166 176.300 -0.014 0.000 1.103 269 M CA -1.194 54.028 55.300 -0.131 0.000 0.910 269 M CB 2.394 34.917 32.600 -0.128 0.000 1.659 269 M HN 0.515 nan 8.290 nan 0.000 0.445 270 L N 5.074 126.340 121.223 0.072 0.000 2.333 270 L HA 0.641 4.981 4.340 0.001 0.000 0.280 270 L C -1.325 175.544 176.870 -0.002 0.000 1.004 270 L CA -0.098 54.833 54.840 0.152 0.000 0.820 270 L CB 1.590 43.806 42.059 0.261 0.000 1.247 270 L HN 0.864 nan 8.230 nan 0.000 0.416 271 R N 5.831 126.331 120.500 0.001 0.000 2.439 271 R HA 0.687 5.027 4.340 0.001 0.000 0.310 271 R C -1.718 174.532 176.300 -0.084 0.000 0.955 271 R CA -0.559 55.492 56.100 -0.082 0.000 0.853 271 R CB 1.081 31.345 30.300 -0.059 0.000 1.171 271 R HN 0.778 nan 8.270 nan 0.000 0.449 272 I N 5.827 126.342 120.570 -0.092 0.000 2.418 272 I HA 0.401 4.571 4.170 0.001 0.000 0.287 272 I C -0.764 175.266 176.117 -0.145 0.000 1.008 272 I CA -0.710 60.522 61.300 -0.113 0.000 1.104 272 I CB 1.937 39.944 38.000 0.012 0.000 1.264 272 I HN 0.425 nan 8.210 nan 0.000 0.438 273 L N 6.131 127.207 121.223 -0.246 0.000 2.431 273 L HA 0.597 4.937 4.340 0.001 0.000 0.266 273 L C -1.924 174.897 176.870 -0.082 0.000 0.978 273 L CA -0.304 54.429 54.840 -0.177 0.000 0.822 273 L CB 2.306 44.185 42.059 -0.299 0.000 1.310 273 L HN 0.611 nan 8.230 nan 0.000 0.409 274 D N 2.811 123.282 120.400 0.117 0.000 2.863 274 D HA 0.443 5.084 4.640 0.001 0.000 0.245 274 D C -1.616 174.863 176.300 0.299 0.000 1.211 274 D CA -0.082 54.076 54.000 0.263 0.000 0.888 274 D CB 1.777 42.820 40.800 0.405 0.000 1.483 274 D HN 0.794 nan 8.370 nan 0.000 0.533 275 H N 0.404 119.536 119.070 0.103 0.000 3.016 275 H HA 0.792 5.348 4.556 0.001 0.000 0.362 275 H C -0.552 174.587 175.328 -0.315 0.000 1.233 275 H CA -0.837 55.136 56.048 -0.125 0.000 1.124 275 H CB 1.925 31.667 29.762 -0.033 0.000 1.850 275 H HN 0.525 nan 8.280 nan 0.000 0.549 276 G N -0.484 107.725 108.800 -0.985 0.000 2.490 276 G HA2 0.656 4.616 3.960 0.001 0.000 0.308 276 G HA3 0.656 4.616 3.960 0.001 0.000 0.308 276 G C -1.828 172.523 174.900 -0.914 0.000 1.286 276 G CA -0.559 43.935 45.100 -1.010 0.000 0.825 276 G HN 1.252 nan 8.290 nan 0.000 0.479 277 A N -0.147 122.220 122.820 -0.754 0.000 2.480 277 A HA 0.725 5.045 4.320 0.001 0.000 0.289 277 A C -0.681 176.870 177.584 -0.055 0.000 1.044 277 A CA -0.224 51.668 52.037 -0.242 0.000 0.761 277 A CB 0.511 19.502 19.000 -0.015 0.000 1.289 277 A HN 1.882 nan 8.150 nan 0.000 0.401 278 I N -1.307 119.320 120.570 0.094 0.000 2.934 278 I HA 0.865 5.035 4.170 0.001 0.000 0.306 278 I C -0.394 175.794 176.117 0.119 0.000 1.110 278 I CA -0.798 60.571 61.300 0.115 0.000 1.019 278 I CB 2.428 40.505 38.000 0.128 0.000 1.227 278 I HN 0.307 nan 8.210 nan 0.000 0.434 279 S N 3.636 119.405 115.700 0.114 0.000 2.501 279 S HA 0.695 5.165 4.470 0.001 0.000 0.301 279 S C -0.499 174.164 174.600 0.104 0.000 1.096 279 S CA -0.615 57.655 58.200 0.117 0.000 1.063 279 S CB 1.498 64.764 63.200 0.110 0.000 1.042 279 S HN 0.568 nan 8.310 nan 0.000 0.494 280 M N 3.152 122.832 119.600 0.134 0.000 2.065 280 M HA 0.505 4.985 4.480 0.001 0.000 0.308 280 M C 0.576 176.971 176.300 0.158 0.000 0.939 280 M CA 0.083 55.447 55.300 0.107 0.000 0.890 280 M CB 0.843 33.469 32.600 0.043 0.000 1.383 280 M HN 0.946 nan 8.290 nan 0.000 0.381 281 G N 0.935 109.801 108.800 0.111 0.000 2.481 281 G HA2 -0.188 3.773 3.960 0.001 0.000 0.230 281 G HA3 -0.188 3.773 3.960 0.001 0.000 0.230 281 G C -0.095 174.854 174.900 0.081 0.000 1.210 281 G CA -0.091 45.072 45.100 0.105 0.000 0.936 281 G HN 0.514 nan 8.290 nan 0.000 0.583 282 D N 0.633 121.065 120.400 0.053 0.000 2.441 282 D HA 0.134 4.774 4.640 0.001 0.000 0.210 282 D C 1.582 177.830 176.300 -0.087 0.000 1.102 282 D CA 0.040 54.038 54.000 -0.002 0.000 0.840 282 D CB 0.201 40.994 40.800 -0.012 0.000 0.990 282 D HN 0.264 nan 8.370 nan 0.000 0.505 283 N N -0.547 118.087 118.700 -0.111 0.000 2.294 283 N HA 0.025 4.766 4.740 0.001 0.000 0.186 283 N C -0.317 174.875 175.510 -0.530 0.000 1.107 283 N CA 0.190 52.977 53.050 -0.439 0.000 0.884 283 N CB 0.905 39.085 38.487 -0.511 0.000 1.030 283 N HN 0.126 nan 8.380 nan 0.000 0.482 284 W N 1.286 122.532 121.300 -0.090 0.000 2.739 284 W HA 0.409 5.070 4.660 0.001 0.000 0.331 284 W C -0.741 175.765 176.519 -0.021 0.000 1.049 284 W CA -0.609 56.718 57.345 -0.029 0.000 1.234 284 W CB 1.337 30.813 29.460 0.026 0.000 1.404 284 W HN -0.270 nan 8.180 nan 0.000 0.477 285 D N 2.501 123.030 120.400 0.215 0.000 2.419 285 D HA 0.663 5.303 4.640 0.001 0.000 0.234 285 D C -1.023 175.378 176.300 0.169 0.000 1.014 285 D CA -0.710 53.377 54.000 0.146 0.000 0.919 285 D CB 2.143 42.975 40.800 0.054 0.000 1.366 285 D HN 0.360 nan 8.370 nan 0.000 0.490 286 M N 1.363 121.039 119.600 0.127 0.000 2.371 286 M HA 0.419 4.899 4.480 0.001 0.000 0.287 286 M C -1.832 174.537 176.300 0.115 0.000 1.149 286 M CA -0.414 54.969 55.300 0.138 0.000 0.929 286 M CB 1.976 34.672 32.600 0.161 0.000 1.683 286 M HN 0.264 nan 8.290 nan 0.000 0.470 287 M N 4.033 123.680 119.600 0.077 0.000 2.478 287 M HA 0.614 5.094 4.480 0.001 0.000 0.327 287 M C -1.554 174.851 176.300 0.175 0.000 1.187 287 M CA -0.627 54.683 55.300 0.016 0.000 1.022 287 M CB 1.815 34.383 32.600 -0.054 0.000 1.629 287 M HN 0.661 nan 8.290 nan 0.000 0.461 288 Y N -0.481 119.877 120.300 0.096 0.000 2.581 288 Y HA 0.816 5.366 4.550 0.001 0.000 0.337 288 Y C -1.694 174.316 175.900 0.182 0.000 1.108 288 Y CA -1.493 56.684 58.100 0.127 0.000 1.033 288 Y CB 0.686 39.196 38.460 0.084 0.000 1.318 288 Y HN 0.435 nan 8.280 nan 0.000 0.459 289 V N -0.168 119.936 119.914 0.317 0.000 3.007 289 V HA 1.049 5.169 4.120 0.001 0.000 0.311 289 V C -0.289 175.978 176.094 0.289 0.000 1.120 289 V CA -0.552 61.903 62.300 0.259 0.000 0.980 289 V CB 1.601 33.529 31.823 0.176 0.000 1.033 289 V HN 1.455 nan 8.190 nan 0.000 0.429 290 G N 1.984 110.921 108.800 0.229 0.000 2.753 290 G HA2 0.699 4.660 3.960 0.001 0.000 0.295 290 G HA3 0.699 4.660 3.960 0.001 0.000 0.295 290 G C -1.484 173.470 174.900 0.090 0.000 1.437 290 G CA -0.552 44.663 45.100 0.192 0.000 1.094 290 G HN 0.952 nan 8.290 nan 0.000 0.540 291 M N 2.270 121.868 119.600 -0.003 0.000 2.421 291 M HA 0.673 5.153 4.480 0.001 0.000 0.287 291 M C -2.409 173.757 176.300 -0.224 0.000 1.183 291 M CA -1.048 54.148 55.300 -0.174 0.000 0.916 291 M CB 2.725 35.078 32.600 -0.411 0.000 1.701 291 M HN 0.596 nan 8.290 nan 0.000 0.470 292 Y N 3.112 123.155 120.300 -0.428 0.000 2.350 292 Y HA 0.573 5.124 4.550 0.001 0.000 0.338 292 Y C -1.538 174.057 175.900 -0.507 0.000 0.961 292 Y CA -0.279 57.410 58.100 -0.684 0.000 1.100 292 Y CB 1.515 39.444 38.460 -0.884 0.000 1.179 292 Y HN 0.738 nan 8.280 nan 0.000 0.454 293 Q N 5.212 124.379 119.800 -1.055 0.000 2.292 293 Q HA 0.294 4.634 4.340 0.001 0.000 0.270 293 Q C -2.128 173.426 176.000 -0.744 0.000 1.024 293 Q CA -0.784 54.607 55.803 -0.687 0.000 0.768 293 Q CB 1.443 29.984 28.738 -0.329 0.000 1.250 293 Q HN 0.773 nan 8.270 nan 0.000 0.447 294 D N 4.743 124.772 120.400 -0.618 0.000 2.440 294 D HA 0.368 5.009 4.640 0.001 0.000 0.239 294 D C -1.116 174.987 176.300 -0.328 0.000 1.084 294 D CA -0.330 53.402 54.000 -0.447 0.000 0.843 294 D CB 0.826 41.452 40.800 -0.290 0.000 1.097 294 D HN 0.555 nan 8.370 nan 0.000 0.531 295 I N 3.795 124.132 120.570 -0.389 0.000 2.330 295 I HA 0.286 4.456 4.170 0.001 0.000 0.286 295 I C -0.059 175.657 176.117 -0.669 0.000 1.025 295 I CA -0.622 60.333 61.300 -0.575 0.000 1.197 295 I CB 1.102 38.664 38.000 -0.729 0.000 1.358 295 I HN 0.306 nan 8.210 nan 0.000 0.467 296 N N 6.363 124.662 118.700 -0.669 0.000 2.511 296 N HA 0.301 5.041 4.740 0.001 0.000 0.249 296 N C -1.221 174.108 175.510 -0.301 0.000 0.971 296 N CA -0.611 52.143 53.050 -0.494 0.000 0.938 296 N CB 0.995 39.123 38.487 -0.598 0.000 1.131 296 N HN 0.355 nan 8.380 nan 0.000 0.505 297 W N 1.656 122.873 121.300 -0.138 0.000 2.509 297 W HA 0.288 4.949 4.660 0.001 0.000 0.351 297 W C 0.864 177.350 176.519 -0.054 0.000 1.107 297 W CA -0.754 56.539 57.345 -0.087 0.000 1.264 297 W CB 1.061 30.482 29.460 -0.065 0.000 1.312 297 W HN 0.517 nan 8.180 nan 0.000 0.608 298 D N 0.572 121.098 120.400 0.210 0.000 2.178 298 D HA -0.191 4.449 4.640 0.001 0.000 0.202 298 D C 1.553 177.899 176.300 0.078 0.000 0.974 298 D CA 1.483 55.548 54.000 0.108 0.000 0.841 298 D CB -0.222 40.619 40.800 0.070 0.000 0.953 298 D HN 0.357 nan 8.370 nan 0.000 0.478 299 N N 0.139 118.887 118.700 0.079 0.000 2.461 299 N HA -0.099 4.641 4.740 0.001 0.000 0.188 299 N C -0.232 175.318 175.510 0.066 0.000 1.134 299 N CA 0.524 53.599 53.050 0.042 0.000 0.878 299 N CB 0.151 38.632 38.487 -0.009 0.000 0.972 299 N HN -0.132 nan 8.380 nan 0.000 0.456 300 D N -2.121 118.342 120.400 0.105 0.000 3.070 300 D HA -0.189 4.452 4.640 0.001 0.000 0.210 300 D C -0.365 175.966 176.300 0.051 0.000 1.103 300 D CA 0.916 54.948 54.000 0.053 0.000 0.980 300 D CB -1.735 39.066 40.800 0.002 0.000 1.100 300 D HN 0.480 nan 8.370 nan 0.000 0.423 301 N N -0.298 118.512 118.700 0.183 0.000 2.321 301 N HA 0.324 5.064 4.740 0.001 0.000 0.242 301 N C 0.721 176.393 175.510 0.270 0.000 1.141 301 N CA 0.568 53.731 53.050 0.189 0.000 0.864 301 N CB 0.265 38.884 38.487 0.221 0.000 1.100 301 N HN 0.291 nan 8.380 nan 0.000 0.510 302 G N -0.945 107.895 108.800 0.066 0.000 2.508 302 G HA2 0.452 4.412 3.960 0.001 0.000 0.278 302 G HA3 0.452 4.412 3.960 0.001 0.000 0.278 302 G C -0.400 174.331 174.900 -0.281 0.000 1.389 302 G CA -0.010 44.873 45.100 -0.362 0.000 1.050 302 G HN 0.301 nan 8.290 nan 0.000 0.522 303 T N -3.029 111.331 114.554 -0.323 0.000 2.868 303 T HA 0.629 4.980 4.350 0.001 0.000 0.306 303 T C -1.075 173.532 174.700 -0.156 0.000 1.224 303 T CA -0.926 61.069 62.100 -0.175 0.000 1.012 303 T CB 2.325 71.169 68.868 -0.040 0.000 1.221 303 T HN 0.564 nan 8.240 nan 0.000 0.499 304 K N 0.957 121.327 120.400 -0.049 0.000 2.579 304 K HA 0.484 4.804 4.320 0.001 0.000 0.250 304 K C -2.033 174.624 176.600 0.093 0.000 0.952 304 K CA -0.677 55.570 56.287 -0.065 0.000 0.857 304 K CB 1.314 33.828 32.500 0.023 0.000 1.123 304 K HN 0.699 nan 8.250 nan 0.000 0.433 305 W N 6.565 127.693 121.300 -0.285 0.000 2.600 305 W HA 0.467 5.127 4.660 0.001 0.000 0.325 305 W C -2.013 174.399 176.519 -0.178 0.000 1.034 305 W CA -1.180 56.090 57.345 -0.125 0.000 1.226 305 W CB 0.663 30.043 29.460 -0.133 0.000 1.379 305 W HN 0.494 nan 8.180 nan 0.000 0.466 306 W N 5.125 126.487 121.300 0.103 0.000 2.573 306 W HA 0.627 5.288 4.660 0.001 0.000 0.326 306 W C -0.138 176.316 176.519 -0.108 0.000 1.049 306 W CA -0.361 56.983 57.345 -0.003 0.000 1.220 306 W CB 2.155 31.743 29.460 0.212 0.000 1.373 306 W HN 0.291 nan 8.180 nan 0.000 0.507 307 T N 0.642 115.212 114.554 0.027 0.000 2.903 307 T HA 0.786 5.136 4.350 0.001 0.000 0.299 307 T C -0.823 174.037 174.700 0.268 0.000 1.093 307 T CA -0.967 61.222 62.100 0.148 0.000 1.002 307 T CB 1.499 70.367 68.868 0.000 0.000 1.127 307 T HN 0.438 nan 8.240 nan 0.000 0.488 308 V N -1.838 118.295 119.914 0.365 0.000 2.969 308 V HA 1.033 5.153 4.120 0.001 0.000 0.304 308 V C -0.254 175.984 176.094 0.240 0.000 1.192 308 V CA -0.638 61.845 62.300 0.305 0.000 0.962 308 V CB 1.422 33.389 31.823 0.240 0.000 1.045 308 V HN 1.486 nan 8.190 nan 0.000 0.428 309 G N 2.387 111.335 108.800 0.248 0.000 2.646 309 G HA2 0.834 4.795 3.960 0.001 0.000 0.291 309 G HA3 0.834 4.795 3.960 0.001 0.000 0.291 309 G C -1.527 173.495 174.900 0.202 0.000 1.445 309 G CA -0.238 44.915 45.100 0.088 0.000 0.814 309 G HN 1.755 nan 8.290 nan 0.000 0.495 310 I N -2.374 118.280 120.570 0.139 0.000 2.865 310 I HA 0.901 5.071 4.170 0.001 0.000 0.302 310 I C -0.728 175.484 176.117 0.158 0.000 1.140 310 I CA -1.492 59.913 61.300 0.174 0.000 1.021 310 I CB 2.804 40.879 38.000 0.124 0.000 1.233 310 I HN 0.526 nan 8.210 nan 0.000 0.427 311 R N 4.564 125.164 120.500 0.167 0.000 2.629 311 R HA 0.491 4.831 4.340 0.001 0.000 0.275 311 R C -2.892 173.494 176.300 0.142 0.000 1.719 311 R CA -1.424 54.765 56.100 0.148 0.000 1.472 311 R CB 1.322 31.706 30.300 0.141 0.000 1.237 311 R HN 0.459 nan 8.270 nan 0.000 0.589 312 P HA 0.120 nan 4.420 nan 0.000 0.275 312 P C -0.963 176.473 177.300 0.226 0.000 1.228 312 P CA -0.271 62.972 63.100 0.239 0.000 0.786 312 P CB 1.217 33.096 31.700 0.297 0.000 0.927 313 M N 3.789 123.523 119.600 0.222 0.000 2.204 313 M HA 0.331 4.811 4.480 0.001 0.000 0.293 313 M C -2.006 174.243 176.300 -0.086 0.000 0.994 313 M CA -1.020 54.322 55.300 0.070 0.000 0.925 313 M CB 1.609 34.214 32.600 0.008 0.000 1.577 313 M HN 0.258 nan 8.290 nan 0.000 0.439 314 Y N 4.919 124.954 120.300 -0.442 0.000 2.353 314 Y HA 0.413 4.963 4.550 0.001 0.000 0.340 314 Y C -0.798 174.668 175.900 -0.724 0.000 0.972 314 Y CA -0.323 57.218 58.100 -0.932 0.000 1.157 314 Y CB 0.894 38.594 38.460 -1.267 0.000 1.157 314 Y HN 0.525 nan 8.280 nan 0.000 0.495 315 K N 6.423 126.079 120.400 -1.239 0.000 2.250 315 K HA 0.050 4.371 4.320 0.001 0.000 0.285 315 K C -0.121 175.920 176.600 -0.933 0.000 1.097 315 K CA -0.178 55.631 56.287 -0.797 0.000 0.913 315 K CB 0.409 32.612 32.500 -0.495 0.000 1.179 315 K HN 0.821 nan 8.250 nan 0.000 0.462 316 W N 1.626 122.642 121.300 -0.474 0.000 2.402 316 W HA -0.086 4.574 4.660 0.001 0.000 0.286 316 W C 0.875 177.281 176.519 -0.188 0.000 1.221 316 W CA 0.445 57.638 57.345 -0.253 0.000 1.257 316 W CB 0.368 29.764 29.460 -0.106 0.000 1.120 316 W HN 0.337 nan 8.180 nan 0.000 0.551 317 T N -2.199 112.377 114.554 0.036 0.000 2.816 317 T HA 0.154 4.505 4.350 0.001 0.000 0.299 317 T C -2.123 172.563 174.700 -0.024 0.000 1.230 317 T CA -1.106 61.009 62.100 0.025 0.000 1.007 317 T CB 1.497 70.409 68.868 0.074 0.000 1.289 317 T HN -0.505 nan 8.240 nan 0.000 0.508 318 P HA 0.084 nan 4.420 nan 0.000 0.220 318 P C 1.099 178.404 177.300 0.008 0.000 1.148 318 P CA 0.856 63.952 63.100 -0.007 0.000 0.803 318 P CB -0.035 31.672 31.700 0.012 0.000 0.782 319 I N -7.034 113.556 120.570 0.033 0.000 4.227 319 I HA 0.366 4.536 4.170 0.001 0.000 0.334 319 I C 0.614 176.749 176.117 0.029 0.000 1.341 319 I CA -0.121 61.215 61.300 0.060 0.000 1.123 319 I CB 0.164 38.235 38.000 0.118 0.000 1.097 319 I HN -0.187 nan 8.210 nan 0.000 0.399 320 M N 2.889 122.470 119.600 -0.032 0.000 2.321 320 M HA 0.584 5.064 4.480 0.001 0.000 0.315 320 M C -0.897 175.352 176.300 -0.085 0.000 1.052 320 M CA -0.252 54.929 55.300 -0.197 0.000 0.936 320 M CB 1.744 34.199 32.600 -0.242 0.000 1.639 320 M HN 0.311 nan 8.290 nan 0.000 0.433 321 S N 2.264 117.880 115.700 -0.140 0.000 2.607 321 S HA 0.709 5.179 4.470 0.001 0.000 0.273 321 S C -1.017 173.620 174.600 0.061 0.000 1.148 321 S CA -0.758 57.440 58.200 -0.003 0.000 0.833 321 S CB 2.184 65.321 63.200 -0.105 0.000 1.130 321 S HN 0.636 nan 8.310 nan 0.000 0.470 322 T N 1.648 116.287 114.554 0.142 0.000 2.770 322 T HA 0.642 4.992 4.350 0.001 0.000 0.283 322 T C -0.801 173.958 174.700 0.097 0.000 0.988 322 T CA -0.431 61.778 62.100 0.182 0.000 0.957 322 T CB 1.027 70.114 68.868 0.366 0.000 0.930 322 T HN 0.616 nan 8.240 nan 0.000 0.443 323 V N 4.868 124.846 119.914 0.106 0.000 2.555 323 V HA 0.663 4.783 4.120 0.001 0.000 0.302 323 V C -0.160 176.022 176.094 0.148 0.000 1.038 323 V CA -0.966 61.401 62.300 0.112 0.000 0.887 323 V CB 1.839 33.720 31.823 0.095 0.000 0.991 323 V HN 0.913 nan 8.190 nan 0.000 0.434 324 M N 3.522 123.215 119.600 0.155 0.000 2.457 324 M HA 0.700 5.181 4.480 0.001 0.000 0.300 324 M C -1.233 175.161 176.300 0.157 0.000 1.141 324 M CA -0.318 55.080 55.300 0.164 0.000 0.901 324 M CB 2.476 35.173 32.600 0.162 0.000 1.687 324 M HN 0.809 nan 8.290 nan 0.000 0.449 325 E N 4.460 124.757 120.200 0.162 0.000 2.256 325 E HA 0.589 4.939 4.350 0.001 0.000 0.268 325 E C -1.966 174.711 176.600 0.128 0.000 0.877 325 E CA -0.620 55.873 56.400 0.154 0.000 0.757 325 E CB 1.907 31.716 29.700 0.182 0.000 1.183 325 E HN 0.805 nan 8.360 nan 0.000 0.418 326 I N 3.230 123.843 120.570 0.072 0.000 2.447 326 I HA 0.548 4.718 4.170 0.001 0.000 0.287 326 I C 0.034 176.050 176.117 -0.169 0.000 1.023 326 I CA -0.727 60.587 61.300 0.022 0.000 1.083 326 I CB 2.123 40.147 38.000 0.039 0.000 1.245 326 I HN 0.547 nan 8.210 nan 0.000 0.434 327 G N 4.671 113.285 108.800 -0.309 0.000 2.638 327 G HA2 0.575 4.536 3.960 0.001 0.000 0.302 327 G HA3 0.575 4.536 3.960 0.001 0.000 0.302 327 G C -2.281 172.460 174.900 -0.265 0.000 1.365 327 G CA -0.449 44.071 45.100 -0.968 0.000 0.987 327 G HN 0.420 nan 8.290 nan 0.000 0.495 328 Y N 1.535 121.705 120.300 -0.218 0.000 2.391 328 Y HA 0.563 5.114 4.550 0.001 0.000 0.341 328 Y C -1.029 175.033 175.900 0.271 0.000 0.965 328 Y CA -1.024 57.137 58.100 0.102 0.000 1.067 328 Y CB 2.040 40.557 38.460 0.095 0.000 1.199 328 Y HN 0.435 nan 8.280 nan 0.000 0.450 329 D N 4.840 125.029 120.400 -0.353 0.000 2.481 329 D HA 0.238 4.879 4.640 0.001 0.000 0.244 329 D C -1.397 174.627 176.300 -0.461 0.000 1.057 329 D CA -0.556 53.370 54.000 -0.124 0.000 0.848 329 D CB 2.126 43.017 40.800 0.152 0.000 1.388 329 D HN 0.571 nan 8.370 nan 0.000 0.475 330 N N 1.583 120.272 118.700 -0.017 0.000 2.500 330 N HA 0.261 5.002 4.740 0.001 0.000 0.291 330 N C -1.861 173.875 175.510 0.377 0.000 1.092 330 N CA -0.320 52.804 53.050 0.123 0.000 0.890 330 N CB 1.845 40.470 38.487 0.230 0.000 1.466 330 N HN 0.051 nan 8.380 nan 0.000 0.507 331 V N 2.367 122.459 119.914 0.297 0.000 2.487 331 V HA 0.430 4.551 4.120 0.001 0.000 0.298 331 V C -0.001 176.352 176.094 0.432 0.000 1.028 331 V CA -0.829 61.680 62.300 0.348 0.000 0.860 331 V CB 1.789 33.744 31.823 0.221 0.000 0.991 331 V HN 0.602 nan 8.190 nan 0.000 0.427 332 E N 2.415 122.804 120.200 0.314 0.000 2.166 332 E HA 0.445 4.795 4.350 0.001 0.000 0.275 332 E C -0.365 176.148 176.600 -0.144 0.000 0.941 332 E CA -0.328 56.163 56.400 0.152 0.000 0.784 332 E CB 1.633 31.416 29.700 0.138 0.000 1.115 332 E HN 0.718 nan 8.360 nan 0.000 0.399 333 S N 3.192 118.497 115.700 -0.657 0.000 2.531 333 S HA -0.037 4.433 4.470 0.001 0.000 0.279 333 S C 0.970 175.270 174.600 -0.501 0.000 1.305 333 S CA -0.006 57.575 58.200 -1.032 0.000 1.058 333 S CB 1.362 63.519 63.200 -1.739 0.000 0.899 333 S HN 0.765 nan 8.310 nan 0.000 0.493 334 Q N 3.840 123.422 119.800 -0.365 0.000 2.119 334 Q HA -0.111 4.230 4.340 0.001 0.000 0.201 334 Q C 2.208 178.085 176.000 -0.206 0.000 0.972 334 Q CA 1.200 56.874 55.803 -0.216 0.000 0.847 334 Q CB -0.043 28.598 28.738 -0.163 0.000 0.903 334 Q HN 0.838 nan 8.270 nan 0.000 0.433 335 R N -0.542 119.798 120.500 -0.267 0.000 2.066 335 R HA -0.097 4.243 4.340 0.001 0.000 0.232 335 R C 2.110 178.281 176.300 -0.216 0.000 1.131 335 R CA 1.914 57.884 56.100 -0.216 0.000 0.955 335 R CB -0.025 30.134 30.300 -0.234 0.000 0.851 335 R HN 0.395 nan 8.270 nan 0.000 0.432 336 T N -5.022 109.357 114.554 -0.292 0.000 2.990 336 T HA 0.229 4.579 4.350 0.001 0.000 0.249 336 T C 1.276 175.874 174.700 -0.169 0.000 1.039 336 T CA 0.591 62.558 62.100 -0.220 0.000 1.036 336 T CB 0.948 69.675 68.868 -0.236 0.000 0.994 336 T HN 0.385 nan 8.240 nan 0.000 0.489 337 G N 1.581 110.256 108.800 -0.208 0.000 2.179 337 G HA2 -0.206 3.754 3.960 0.001 0.000 0.260 337 G HA3 -0.206 3.754 3.960 0.001 0.000 0.260 337 G C -0.200 174.651 174.900 -0.081 0.000 0.977 337 G CA 0.180 45.209 45.100 -0.119 0.000 0.641 337 G HN 0.611 nan 8.290 nan 0.000 0.533 338 D N 0.444 120.766 120.400 -0.130 0.000 2.361 338 D HA 0.435 5.075 4.640 0.001 0.000 0.239 338 D C 0.592 176.979 176.300 0.146 0.000 1.200 338 D CA 0.428 54.451 54.000 0.037 0.000 0.915 338 D CB 0.584 41.471 40.800 0.144 0.000 1.170 338 D HN 0.295 nan 8.370 nan 0.000 0.444 339 K N 1.156 121.744 120.400 0.313 0.000 2.371 339 K HA 0.367 4.688 4.320 0.001 0.000 0.251 339 K C -0.863 175.942 176.600 0.341 0.000 0.934 339 K CA -0.824 55.677 56.287 0.356 0.000 0.798 339 K CB 1.656 34.294 32.500 0.231 0.000 1.204 339 K HN 0.224 nan 8.250 nan 0.000 0.427 340 N N 2.595 121.461 118.700 0.278 0.000 2.342 340 N HA 0.300 5.040 4.740 0.001 0.000 0.293 340 N C -1.279 174.273 175.510 0.070 0.000 1.026 340 N CA -0.628 52.445 53.050 0.037 0.000 0.857 340 N CB 1.393 39.715 38.487 -0.275 0.000 1.256 340 N HN 0.691 nan 8.380 nan 0.000 0.484 341 N N 0.383 119.128 118.700 0.075 0.000 2.357 341 N HA 0.435 5.176 4.740 0.001 0.000 0.284 341 N C -1.410 174.150 175.510 0.083 0.000 1.236 341 N CA -0.581 52.499 53.050 0.050 0.000 0.774 341 N CB 2.877 41.452 38.487 0.147 0.000 1.534 341 N HN 0.435 nan 8.380 nan 0.000 0.478 342 Q N 0.441 120.260 119.800 0.033 0.000 2.386 342 Q HA 0.293 4.633 4.340 0.001 0.000 0.274 342 Q C -2.130 173.989 176.000 0.199 0.000 1.011 342 Q CA -0.786 55.082 55.803 0.108 0.000 0.867 342 Q CB 2.035 30.832 28.738 0.098 0.000 1.409 342 Q HN 0.713 nan 8.270 nan 0.000 0.395 343 Y N 0.503 120.922 120.300 0.198 0.000 2.425 343 Y HA 0.709 5.260 4.550 0.001 0.000 0.344 343 Y C -1.415 174.566 175.900 0.137 0.000 0.969 343 Y CA -0.954 57.274 58.100 0.213 0.000 1.052 343 Y CB 1.605 40.223 38.460 0.264 0.000 1.215 343 Y HN 0.433 nan 8.280 nan 0.000 0.451 344 K N 4.983 125.540 120.400 0.261 0.000 2.345 344 K HA 0.659 4.979 4.320 0.001 0.000 0.255 344 K C -1.926 174.829 176.600 0.258 0.000 0.934 344 K CA -0.743 55.663 56.287 0.199 0.000 0.801 344 K CB 1.486 34.109 32.500 0.206 0.000 1.137 344 K HN 0.974 nan 8.250 nan 0.000 0.424 345 I N 2.593 123.351 120.570 0.313 0.000 2.466 345 I HA 0.261 4.431 4.170 0.001 0.000 0.289 345 I C -0.624 175.678 176.117 0.307 0.000 1.026 345 I CA -0.601 60.880 61.300 0.301 0.000 1.078 345 I CB 2.350 40.549 38.000 0.332 0.000 1.249 345 I HN 0.469 nan 8.210 nan 0.000 0.429 346 T N 6.690 121.400 114.554 0.261 0.000 2.861 346 T HA 0.542 4.893 4.350 0.001 0.000 0.287 346 T C -0.713 174.138 174.700 0.253 0.000 1.003 346 T CA -0.518 61.752 62.100 0.284 0.000 0.977 346 T CB 1.776 70.789 68.868 0.241 0.000 0.996 346 T HN 0.303 nan 8.240 nan 0.000 0.448 347 L N 2.733 124.127 121.223 0.285 0.000 2.333 347 L HA 0.815 5.156 4.340 0.001 0.000 0.280 347 L C -0.695 176.350 176.870 0.291 0.000 1.004 347 L CA -0.703 54.284 54.840 0.246 0.000 0.820 347 L CB 1.257 43.442 42.059 0.210 0.000 1.247 347 L HN 0.832 nan 8.230 nan 0.000 0.416 348 A N 3.781 126.749 122.820 0.246 0.000 2.449 348 A HA 0.637 4.957 4.320 0.001 0.000 0.302 348 A C -1.219 176.463 177.584 0.163 0.000 1.048 348 A CA -0.550 51.644 52.037 0.261 0.000 0.708 348 A CB 2.031 21.195 19.000 0.273 0.000 1.274 348 A HN 0.589 nan 8.150 nan 0.000 0.410 349 Q N 0.901 120.779 119.800 0.130 0.000 2.257 349 Q HA 0.541 4.881 4.340 0.001 0.000 0.255 349 Q C -0.540 175.383 176.000 -0.129 0.000 0.920 349 Q CA 0.097 55.871 55.803 -0.049 0.000 0.927 349 Q CB 1.104 29.781 28.738 -0.101 0.000 1.229 349 Q HN 0.736 nan 8.270 nan 0.000 0.433 350 Q N 3.657 123.261 119.800 -0.326 0.000 2.372 350 Q HA 0.414 4.754 4.340 0.001 0.000 0.273 350 Q C -1.532 174.232 176.000 -0.393 0.000 1.078 350 Q CA -0.595 55.106 55.803 -0.169 0.000 0.806 350 Q CB 1.256 29.994 28.738 0.000 0.000 1.332 350 Q HN 0.675 nan 8.270 nan 0.000 0.435 351 W N 4.843 126.184 121.300 0.068 0.000 2.417 351 W HA 0.335 4.995 4.660 0.001 0.000 0.315 351 W C -0.167 176.369 176.519 0.028 0.000 1.045 351 W CA -0.548 56.824 57.345 0.046 0.000 1.221 351 W CB 1.880 31.362 29.460 0.037 0.000 1.309 351 W HN 0.635 nan 8.180 nan 0.000 0.453 352 Q N 1.328 121.228 119.800 0.166 0.000 2.495 352 Q HA 0.637 4.978 4.340 0.001 0.000 0.287 352 Q C -1.237 174.806 176.000 0.073 0.000 1.078 352 Q CA -0.886 54.972 55.803 0.092 0.000 0.793 352 Q CB 1.782 30.541 28.738 0.036 0.000 1.459 352 Q HN 0.411 nan 8.270 nan 0.000 0.422 353 A N 0.754 123.599 122.820 0.041 0.000 3.004 353 A HA 0.654 4.975 4.320 0.001 0.000 0.286 353 A C 0.506 178.115 177.584 0.041 0.000 1.632 353 A CA 0.536 52.597 52.037 0.040 0.000 1.339 353 A CB -1.243 17.773 19.000 0.026 0.000 1.136 353 A HN 1.372 nan 8.150 nan 0.000 0.577 354 G N 1.007 109.834 108.800 0.045 0.000 2.347 354 G HA2 0.246 4.206 3.960 0.001 0.000 0.477 354 G HA3 0.246 4.206 3.960 0.001 0.000 0.477 354 G C -0.583 174.338 174.900 0.035 0.000 1.349 354 G CA -0.028 45.099 45.100 0.046 0.000 1.000 354 G HN 0.730 nan 8.290 nan 0.000 0.605 355 D N -0.996 119.425 120.400 0.034 0.000 2.559 355 D HA 0.439 5.079 4.640 0.001 0.000 0.234 355 D C 0.709 177.021 176.300 0.020 0.000 1.226 355 D CA 0.448 54.453 54.000 0.008 0.000 0.830 355 D CB 0.672 41.468 40.800 -0.007 0.000 1.028 355 D HN 0.598 nan 8.370 nan 0.000 0.492 356 S N -0.413 115.322 115.700 0.058 0.000 2.664 356 S HA 0.439 4.910 4.470 0.001 0.000 0.304 356 S C 0.721 175.351 174.600 0.050 0.000 1.099 356 S CA -0.885 57.372 58.200 0.095 0.000 1.003 356 S CB 1.327 64.648 63.200 0.201 0.000 1.092 356 S HN 0.165 nan 8.310 nan 0.000 0.525 357 I N 1.651 122.216 120.570 -0.007 0.000 3.111 357 I HA 0.146 4.316 4.170 0.001 0.000 0.272 357 I C 0.459 176.438 176.117 -0.230 0.000 1.268 357 I CA 0.587 61.798 61.300 -0.148 0.000 1.467 357 I CB 0.061 37.921 38.000 -0.234 0.000 1.087 357 I HN 0.772 nan 8.210 nan 0.000 0.467 358 W N 0.402 121.766 121.300 0.107 0.000 3.139 358 W HA 0.174 4.835 4.660 0.001 0.000 0.260 358 W C 1.299 177.882 176.519 0.107 0.000 1.312 358 W CA -0.429 57.024 57.345 0.179 0.000 1.606 358 W CB -0.041 29.556 29.460 0.228 0.000 1.118 358 W HN -0.096 nan 8.180 nan 0.000 0.675 359 S N 2.144 117.956 115.700 0.187 0.000 2.516 359 S HA 0.282 4.752 4.470 0.001 0.000 0.282 359 S C 0.290 174.825 174.600 -0.109 0.000 1.286 359 S CA -0.142 58.099 58.200 0.068 0.000 1.066 359 S CB 0.338 63.571 63.200 0.054 0.000 0.884 359 S HN -0.007 nan 8.310 nan 0.000 0.491 360 R N 2.620 122.988 120.500 -0.219 0.000 2.771 360 R HA 0.545 4.885 4.340 0.001 0.000 0.274 360 R C -2.747 173.451 176.300 -0.170 0.000 0.987 360 R CA -2.164 53.719 56.100 -0.361 0.000 0.908 360 R CB 0.771 30.509 30.300 -0.936 0.000 1.213 360 R HN 0.379 nan 8.270 nan 0.000 0.468 361 P HA 0.400 nan 4.420 nan 0.000 0.274 361 P C -1.174 176.087 177.300 -0.064 0.000 1.256 361 P CA -0.490 62.539 63.100 -0.119 0.000 0.795 361 P CB 0.836 32.497 31.700 -0.065 0.000 1.038 362 A N 1.143 123.941 122.820 -0.036 0.000 2.422 362 A HA 0.674 4.994 4.320 0.001 0.000 0.302 362 A C -0.703 176.942 177.584 0.102 0.000 1.041 362 A CA -0.737 51.325 52.037 0.042 0.000 0.708 362 A CB 0.845 19.860 19.000 0.025 0.000 1.257 362 A HN 0.426 nan 8.150 nan 0.000 0.414 363 I N 2.122 122.806 120.570 0.190 0.000 2.362 363 I HA 0.440 4.611 4.170 0.001 0.000 0.289 363 I C 0.012 176.341 176.117 0.354 0.000 0.994 363 I CA -0.377 61.065 61.300 0.236 0.000 1.158 363 I CB 1.758 39.881 38.000 0.204 0.000 1.315 363 I HN 0.693 nan 8.210 nan 0.000 0.451 364 R N 4.785 125.478 120.500 0.323 0.000 2.589 364 R HA 0.756 5.096 4.340 0.001 0.000 0.293 364 R C -1.279 175.280 176.300 0.432 0.000 0.963 364 R CA -0.821 55.500 56.100 0.369 0.000 0.905 364 R CB 2.550 33.051 30.300 0.335 0.000 1.144 364 R HN 0.280 nan 8.270 nan 0.000 0.459 365 V N 4.389 124.560 119.914 0.429 0.000 2.444 365 V HA 0.537 4.657 4.120 0.001 0.000 0.294 365 V C -0.855 175.458 176.094 0.364 0.000 1.022 365 V CA -0.598 61.915 62.300 0.355 0.000 0.850 365 V CB 0.830 32.849 31.823 0.326 0.000 0.992 365 V HN 0.682 nan 8.190 nan 0.000 0.426 366 F N 2.840 122.961 119.950 0.285 0.000 2.650 366 F HA 1.029 5.556 4.527 0.001 0.000 0.320 366 F C -0.333 175.679 175.800 0.353 0.000 1.091 366 F CA -1.381 56.787 58.000 0.280 0.000 0.962 366 F CB 1.923 41.078 39.000 0.258 0.000 1.363 366 F HN 0.562 nan 8.300 nan 0.000 0.482 367 A N 0.963 124.135 122.820 0.586 0.000 2.427 367 A HA 0.736 5.057 4.320 0.001 0.000 0.298 367 A C -1.241 176.734 177.584 0.651 0.000 1.036 367 A CA -0.607 51.779 52.037 0.582 0.000 0.701 367 A CB 1.439 20.688 19.000 0.414 0.000 1.250 367 A HN 0.847 nan 8.150 nan 0.000 0.412 368 T N 1.592 116.576 114.554 0.716 0.000 2.861 368 T HA 0.589 4.939 4.350 0.001 0.000 0.287 368 T C -1.623 173.437 174.700 0.601 0.000 1.003 368 T CA -0.101 62.360 62.100 0.602 0.000 0.977 368 T CB 0.984 70.204 68.868 0.588 0.000 0.996 368 T HN 0.591 nan 8.240 nan 0.000 0.448 369 Y N 2.057 122.555 120.300 0.330 0.000 2.391 369 Y HA 0.687 5.237 4.550 0.001 0.000 0.341 369 Y C -0.966 174.982 175.900 0.080 0.000 0.965 369 Y CA -0.870 57.366 58.100 0.227 0.000 1.067 369 Y CB 1.094 39.663 38.460 0.182 0.000 1.199 369 Y HN 0.793 nan 8.280 nan 0.000 0.450 370 A N 6.474 128.795 122.820 -0.831 0.000 2.414 370 A HA 0.736 5.056 4.320 0.001 0.000 0.306 370 A C -1.636 175.336 177.584 -1.020 0.000 1.054 370 A CA -0.935 50.661 52.037 -0.734 0.000 0.724 370 A CB 1.754 20.355 19.000 -0.664 0.000 1.267 370 A HN 0.566 nan 8.150 nan 0.000 0.418 371 K N 1.759 121.651 120.400 -0.847 0.000 2.507 371 K HA 0.520 4.840 4.320 0.001 0.000 0.251 371 K C -1.982 174.369 176.600 -0.415 0.000 0.943 371 K CA -0.332 55.469 56.287 -0.809 0.000 0.794 371 K CB 1.537 33.555 32.500 -0.803 0.000 1.188 371 K HN 0.825 nan 8.250 nan 0.000 0.428 372 W N 2.003 123.124 121.300 -0.298 0.000 2.975 372 W HA 0.627 5.287 4.660 0.001 0.000 0.342 372 W C -1.147 175.320 176.519 -0.087 0.000 1.168 372 W CA -0.855 56.388 57.345 -0.169 0.000 1.141 372 W CB 0.991 30.358 29.460 -0.154 0.000 1.445 372 W HN 0.392 nan 8.180 nan 0.000 0.560 373 D N 1.103 121.623 120.400 0.200 0.000 2.365 373 D HA 0.187 4.827 4.640 0.001 0.000 0.235 373 D C -1.433 174.950 176.300 0.137 0.000 1.368 373 D CA -0.216 53.856 54.000 0.122 0.000 1.001 373 D CB 1.039 41.889 40.800 0.085 0.000 1.364 373 D HN 0.555 nan 8.370 nan 0.000 0.577 374 E N 2.589 122.872 120.200 0.138 0.000 2.145 374 E HA 0.285 4.635 4.350 0.001 0.000 0.270 374 E C 0.194 176.822 176.600 0.047 0.000 0.906 374 E CA -0.515 55.900 56.400 0.025 0.000 0.761 374 E CB 2.327 31.988 29.700 -0.065 0.000 1.116 374 E HN 0.187 nan 8.360 nan 0.000 0.408 375 K N 2.511 122.959 120.400 0.079 0.000 2.358 375 K HA 0.123 4.444 4.320 0.001 0.000 0.197 375 K C -0.402 176.348 176.600 0.251 0.000 1.025 375 K CA -0.005 56.379 56.287 0.161 0.000 1.104 375 K CB 0.626 33.234 32.500 0.181 0.000 0.855 375 K HN 0.488 nan 8.250 nan 0.000 0.531 376 W N -1.169 120.128 121.300 -0.005 0.000 3.025 376 W HA 0.674 5.335 4.660 0.001 0.000 0.343 376 W C -0.966 175.498 176.519 -0.092 0.000 1.246 376 W CA -1.049 56.256 57.345 -0.067 0.000 1.178 376 W CB 0.403 29.779 29.460 -0.140 0.000 1.463 376 W HN -0.085 nan 8.180 nan 0.000 0.578 377 G N 0.273 109.127 108.800 0.090 0.000 2.660 377 G HA2 0.573 4.533 3.960 0.001 0.000 0.290 377 G HA3 0.573 4.533 3.960 0.001 0.000 0.290 377 G C -2.739 172.128 174.900 -0.056 0.000 1.432 377 G CA -0.990 44.032 45.100 -0.130 0.000 0.807 377 G HN 0.417 nan 8.290 nan 0.000 0.485 378 Y N 0.322 120.653 120.300 0.052 0.000 2.304 378 Y HA 0.385 4.935 4.550 0.001 0.000 0.328 378 Y C 0.308 176.037 175.900 -0.286 0.000 1.123 378 Y CA -0.363 57.631 58.100 -0.178 0.000 1.218 378 Y CB 1.556 39.835 38.460 -0.302 0.000 1.207 378 Y HN 0.410 nan 8.280 nan 0.000 0.495 379 D N 2.163 122.349 120.400 -0.356 0.000 2.365 379 D HA 0.085 4.726 4.640 0.001 0.000 0.237 379 D C -0.970 175.041 176.300 -0.482 0.000 1.190 379 D CA -0.027 53.818 54.000 -0.259 0.000 0.867 379 D CB 0.053 40.611 40.800 -0.403 0.000 1.050 379 D HN 0.418 nan 8.370 nan 0.000 0.491 380 Y N 1.648 121.920 120.300 -0.047 0.000 2.696 380 Y HA 0.136 4.687 4.550 0.001 0.000 0.260 380 Y C 0.943 176.876 175.900 0.055 0.000 1.165 380 Y CA -0.521 57.373 58.100 -0.342 0.000 1.189 380 Y CB 0.014 38.333 38.460 -0.236 0.000 1.180 380 Y HN 0.248 nan 8.280 nan 0.000 0.538 381 T N -2.478 112.250 114.554 0.291 0.000 2.868 381 T HA 0.574 4.924 4.350 0.001 0.000 0.292 381 T C 1.202 176.109 174.700 0.344 0.000 1.028 381 T CA 0.193 62.473 62.100 0.299 0.000 1.059 381 T CB 1.392 70.428 68.868 0.280 0.000 0.991 381 T HN 0.631 nan 8.240 nan 0.000 0.531 382 G N 2.273 111.219 108.800 0.244 0.000 2.574 382 G HA2 -0.209 3.751 3.960 0.001 0.000 0.286 382 G HA3 -0.209 3.751 3.960 0.001 0.000 0.286 382 G C -0.236 174.776 174.900 0.187 0.000 1.212 382 G CA 0.208 45.413 45.100 0.177 0.000 0.979 382 G HN 1.537 nan 8.290 nan 0.000 0.557 383 N N -0.557 118.152 118.700 0.016 0.000 2.774 383 N HA 0.586 5.326 4.740 0.001 0.000 0.264 383 N C 0.959 176.126 175.510 -0.570 0.000 1.415 383 N CA -0.063 52.806 53.050 -0.301 0.000 0.815 383 N CB 1.365 39.737 38.487 -0.191 0.000 1.514 383 N HN 1.358 nan 8.380 nan 0.000 0.523 384 A N -0.253 121.994 122.820 -0.955 0.000 2.070 384 A HA -0.180 4.140 4.320 0.001 0.000 0.220 384 A C 1.547 178.948 177.584 -0.305 0.000 1.159 384 A CA 1.953 53.610 52.037 -0.633 0.000 0.656 384 A CB -0.742 17.975 19.000 -0.472 0.000 0.800 384 A HN 0.785 nan 8.150 nan 0.000 0.453 385 D N -0.179 119.885 120.400 -0.560 0.000 2.162 385 D HA -0.089 4.551 4.640 0.001 0.000 0.203 385 D C 1.609 177.747 176.300 -0.270 0.000 0.967 385 D CA 1.200 54.899 54.000 -0.503 0.000 0.840 385 D CB -0.114 39.917 40.800 -1.281 0.000 0.972 385 D HN 0.350 nan 8.370 nan 0.000 0.482 386 N N 0.116 118.666 118.700 -0.249 0.000 2.333 386 N HA -0.075 4.665 4.740 0.001 0.000 0.178 386 N C 0.161 175.655 175.510 -0.028 0.000 1.018 386 N CA 0.486 53.473 53.050 -0.105 0.000 0.882 386 N CB -0.247 38.202 38.487 -0.062 0.000 0.984 386 N HN 0.116 nan 8.380 nan 0.000 0.434 387 N N 0.459 119.153 118.700 -0.010 0.000 2.479 387 N HA 0.345 5.085 4.740 0.001 0.000 0.261 387 N C 0.146 175.702 175.510 0.077 0.000 0.979 387 N CA -0.290 52.807 53.050 0.078 0.000 0.930 387 N CB 1.499 40.095 38.487 0.182 0.000 1.172 387 N HN -0.018 nan 8.380 nan 0.000 0.499 388 A N 3.622 126.480 122.820 0.063 0.000 2.015 388 A HA -0.079 4.242 4.320 0.001 0.000 0.219 388 A C 1.405 179.020 177.584 0.052 0.000 1.163 388 A CA 1.054 53.122 52.037 0.051 0.000 0.646 388 A CB -0.184 18.840 19.000 0.039 0.000 0.806 388 A HN 0.673 nan 8.150 nan 0.000 0.448 389 N N -1.150 117.581 118.700 0.052 0.000 2.398 389 N HA 0.101 4.841 4.740 0.001 0.000 0.188 389 N C -0.174 175.309 175.510 -0.047 0.000 1.122 389 N CA -0.291 52.747 53.050 -0.021 0.000 0.866 389 N CB -0.548 37.894 38.487 -0.076 0.000 0.970 389 N HN 0.437 nan 8.380 nan 0.000 0.462 390 F N 0.981 120.849 119.950 -0.137 0.000 2.549 390 F HA 0.129 4.657 4.527 0.001 0.000 0.400 390 F C 1.619 177.235 175.800 -0.306 0.000 1.011 390 F CA 1.057 58.918 58.000 -0.231 0.000 1.148 390 F CB -0.044 38.763 39.000 -0.322 0.000 0.993 390 F HN 0.290 nan 8.300 nan 0.000 0.540 391 G N 3.474 111.781 108.800 -0.822 0.000 2.176 391 G HA2 -0.244 3.716 3.960 0.001 0.000 0.253 391 G HA3 -0.244 3.716 3.960 0.001 0.000 0.253 391 G C 0.189 174.964 174.900 -0.208 0.000 0.979 391 G CA -0.093 44.651 45.100 -0.593 0.000 0.641 391 G HN 0.531 nan 8.290 nan 0.000 0.530 392 K N 0.841 121.126 120.400 -0.191 0.000 2.144 392 K HA 0.723 5.043 4.320 0.001 0.000 0.270 392 K C 0.776 177.302 176.600 -0.123 0.000 1.005 392 K CA 0.159 56.388 56.287 -0.096 0.000 0.932 392 K CB 1.312 33.712 32.500 -0.167 0.000 1.021 392 K HN 0.690 nan 8.250 nan 0.000 0.462 393 A N 1.493 124.240 122.820 -0.121 0.000 2.483 393 A HA 0.357 4.677 4.320 0.001 0.000 0.238 393 A C -0.249 177.116 177.584 -0.364 0.000 1.070 393 A CA -0.192 51.668 52.037 -0.296 0.000 0.770 393 A CB 0.415 19.054 19.000 -0.603 0.000 1.008 393 A HN 0.389 nan 8.150 nan 0.000 0.497 394 V N 3.742 123.461 119.914 -0.324 0.000 2.969 394 V HA 0.432 4.553 4.120 0.001 0.000 0.304 394 V C -2.473 173.507 176.094 -0.190 0.000 1.192 394 V CA -1.453 60.545 62.300 -0.503 0.000 0.962 394 V CB 2.608 33.849 31.823 -0.970 0.000 1.045 394 V HN 0.841 nan 8.190 nan 0.000 0.428 395 P HA 0.124 nan 4.420 nan 0.000 0.268 395 P C 0.523 177.941 177.300 0.196 0.000 1.208 395 P CA 0.335 63.490 63.100 0.092 0.000 0.777 395 P CB 0.683 32.447 31.700 0.107 0.000 0.875 396 A N 2.614 125.573 122.820 0.231 0.000 1.948 396 A HA -0.212 4.108 4.320 0.001 0.000 0.220 396 A C 1.251 179.041 177.584 0.342 0.000 1.177 396 A CA 2.299 54.499 52.037 0.271 0.000 0.636 396 A CB -1.226 17.882 19.000 0.180 0.000 0.815 396 A HN 0.665 nan 8.150 nan 0.000 0.449 397 D N -2.513 118.060 120.400 0.288 0.000 2.402 397 D HA 0.125 4.766 4.640 0.001 0.000 0.216 397 D C 0.221 176.704 176.300 0.305 0.000 1.128 397 D CA -0.789 53.364 54.000 0.255 0.000 0.833 397 D CB -0.865 40.027 40.800 0.153 0.000 0.971 397 D HN 0.197 nan 8.370 nan 0.000 0.503 398 F N 2.733 122.811 119.950 0.213 0.000 2.548 398 F HA 0.004 4.531 4.527 0.001 0.000 0.403 398 F C 0.740 176.664 175.800 0.207 0.000 1.004 398 F CA 0.233 58.310 58.000 0.128 0.000 1.177 398 F CB -0.019 38.936 39.000 -0.076 0.000 0.974 398 F HN -0.024 nan 8.300 nan 0.000 0.541 399 N N 4.150 122.590 118.700 -0.433 0.000 2.721 399 N HA -0.208 4.533 4.740 0.001 0.000 0.249 399 N C 0.990 176.436 175.510 -0.107 0.000 1.072 399 N CA 1.330 54.147 53.050 -0.388 0.000 0.710 399 N CB -1.442 36.662 38.487 -0.639 0.000 0.993 399 N HN 1.331 nan 8.380 nan 0.000 0.547 400 G N -2.542 106.250 108.800 -0.014 0.000 2.168 400 G HA2 -0.245 3.716 3.960 0.001 0.000 0.263 400 G HA3 -0.245 3.716 3.960 0.001 0.000 0.263 400 G C 0.659 175.582 174.900 0.038 0.000 0.977 400 G CA 1.086 46.196 45.100 0.017 0.000 0.659 400 G HN 0.887 nan 8.290 nan 0.000 0.533 401 G N -0.612 108.250 108.800 0.102 0.000 2.532 401 G HA2 0.720 4.680 3.960 0.001 0.000 0.291 401 G HA3 0.720 4.680 3.960 0.001 0.000 0.291 401 G C 0.175 175.047 174.900 -0.047 0.000 1.349 401 G CA 0.546 45.644 45.100 -0.002 0.000 1.038 401 G HN 1.559 nan 8.290 nan 0.000 0.518 402 S N -1.065 114.440 115.700 -0.325 0.000 2.647 402 S HA 0.700 5.170 4.470 0.001 0.000 0.300 402 S C -1.321 173.027 174.600 -0.419 0.000 1.129 402 S CA -0.690 57.397 58.200 -0.188 0.000 1.029 402 S CB 1.147 64.288 63.200 -0.098 0.000 1.007 402 S HN 0.341 nan 8.310 nan 0.000 0.484 403 F N 1.484 121.473 119.950 0.065 0.000 2.540 403 F HA 0.828 5.356 4.527 0.001 0.000 0.317 403 F C 0.984 176.777 175.800 -0.013 0.000 1.104 403 F CA 0.288 58.311 58.000 0.039 0.000 0.913 403 F CB 2.026 41.060 39.000 0.057 0.000 1.170 403 F HN 1.215 nan 8.300 nan 0.000 0.450 404 G N 2.466 111.323 108.800 0.096 0.000 2.728 404 G HA2 -0.212 3.749 3.960 0.001 0.000 0.294 404 G HA3 -0.212 3.749 3.960 0.001 0.000 0.294 404 G C -0.023 174.860 174.900 -0.027 0.000 1.342 404 G CA -0.824 44.241 45.100 -0.058 0.000 0.866 404 G HN 0.743 nan 8.290 nan 0.000 0.534 405 R N 0.782 121.248 120.500 -0.057 0.000 2.334 405 R HA 0.448 4.788 4.340 0.001 0.000 0.220 405 R C 1.689 178.141 176.300 0.254 0.000 0.917 405 R CA 1.198 57.300 56.100 0.003 0.000 1.073 405 R CB -0.006 30.109 30.300 -0.309 0.000 1.056 405 R HN 2.183 nan 8.270 nan 0.000 0.506 406 G N 1.509 110.427 108.800 0.197 0.000 2.553 406 G HA2 -0.298 3.663 3.960 0.001 0.000 0.242 406 G HA3 -0.298 3.663 3.960 0.001 0.000 0.242 406 G C -1.073 173.963 174.900 0.228 0.000 1.277 406 G CA -0.010 45.209 45.100 0.198 0.000 0.910 406 G HN 0.333 nan 8.290 nan 0.000 0.576 407 D N 0.043 120.486 120.400 0.072 0.000 2.420 407 D HA 0.670 5.310 4.640 0.001 0.000 0.255 407 D C -0.083 176.037 176.300 -0.299 0.000 1.185 407 D CA 0.718 54.660 54.000 -0.095 0.000 0.904 407 D CB 0.891 41.670 40.800 -0.035 0.000 1.102 407 D HN 0.735 nan 8.370 nan 0.000 0.534 408 S N 2.559 117.777 115.700 -0.804 0.000 2.757 408 S HA 0.570 5.041 4.470 0.001 0.000 0.285 408 S C -1.965 171.733 174.600 -1.503 0.000 1.196 408 S CA -0.617 57.046 58.200 -0.896 0.000 0.856 408 S CB 1.323 64.217 63.200 -0.510 0.000 1.212 408 S HN 0.319 nan 8.310 nan 0.000 0.516 409 D N 0.421 120.158 120.400 -1.105 0.000 2.581 409 D HA 0.814 5.455 4.640 0.001 0.000 0.232 409 D C -1.490 174.515 176.300 -0.492 0.000 1.143 409 D CA 0.098 53.616 54.000 -0.802 0.000 0.881 409 D CB 2.034 42.685 40.800 -0.249 0.000 1.500 409 D HN 0.408 nan 8.370 nan 0.000 0.458 410 E N 0.345 120.338 120.200 -0.345 0.000 2.389 410 E HA 0.415 4.766 4.350 0.001 0.000 0.281 410 E C -1.787 174.904 176.600 0.151 0.000 1.072 410 E CA -0.844 55.582 56.400 0.043 0.000 0.845 410 E CB 0.696 30.536 29.700 0.234 0.000 1.239 410 E HN 0.392 nan 8.360 nan 0.000 0.434 411 W N 2.500 123.929 121.300 0.215 0.000 2.844 411 W HA 0.828 5.489 4.660 0.001 0.000 0.340 411 W C -1.095 175.690 176.519 0.443 0.000 1.093 411 W CA -0.624 56.926 57.345 0.343 0.000 1.212 411 W CB 0.682 30.379 29.460 0.394 0.000 1.422 411 W HN 0.649 nan 8.180 nan 0.000 0.515 412 T N 0.278 115.185 114.554 0.587 0.000 2.901 412 T HA 0.858 5.208 4.350 0.001 0.000 0.293 412 T C -1.121 173.920 174.700 0.568 0.000 1.084 412 T CA -0.570 61.754 62.100 0.372 0.000 1.008 412 T CB 2.468 71.566 68.868 0.384 0.000 1.170 412 T HN 0.762 nan 8.240 nan 0.000 0.509 413 F N -1.816 118.254 119.950 0.200 0.000 2.686 413 F HA 0.956 5.483 4.527 0.001 0.000 0.311 413 F C -0.061 175.575 175.800 -0.274 0.000 1.128 413 F CA -0.445 57.516 58.000 -0.065 0.000 0.946 413 F CB 1.364 40.426 39.000 0.103 0.000 1.336 413 F HN 1.153 nan 8.300 nan 0.000 0.457 414 G N -0.043 108.382 108.800 -0.625 0.000 2.367 414 G HA2 0.660 4.620 3.960 0.001 0.000 0.272 414 G HA3 0.660 4.620 3.960 0.001 0.000 0.272 414 G C -2.316 172.427 174.900 -0.261 0.000 1.271 414 G CA -0.205 44.755 45.100 -0.233 0.000 0.893 414 G HN 1.659 nan 8.290 nan 0.000 0.485 415 A N -0.750 122.136 122.820 0.110 0.000 2.475 415 A HA 0.932 5.253 4.320 0.001 0.000 0.301 415 A C -0.662 177.116 177.584 0.323 0.000 1.059 415 A CA -0.137 52.054 52.037 0.257 0.000 0.710 415 A CB 2.215 21.342 19.000 0.212 0.000 1.288 415 A HN 1.057 nan 8.150 nan 0.000 0.408 416 Q N 0.491 120.489 119.800 0.330 0.000 2.426 416 Q HA 0.589 4.929 4.340 0.001 0.000 0.278 416 Q C -1.753 174.359 176.000 0.186 0.000 1.007 416 Q CA -0.683 55.270 55.803 0.250 0.000 0.850 416 Q CB 1.932 30.842 28.738 0.286 0.000 1.427 416 Q HN 1.021 nan 8.270 nan 0.000 0.391 417 M N 0.450 120.123 119.600 0.122 0.000 2.644 417 M HA 0.685 5.165 4.480 0.001 0.000 0.316 417 M C -1.019 175.320 176.300 0.065 0.000 1.200 417 M CA -0.283 55.067 55.300 0.083 0.000 0.944 417 M CB 1.895 34.518 32.600 0.038 0.000 1.691 417 M HN 0.498 nan 8.290 nan 0.000 0.471 418 E N 1.608 121.827 120.200 0.032 0.000 2.308 418 E HA 0.757 5.108 4.350 0.001 0.000 0.275 418 E C -2.106 174.433 176.600 -0.101 0.000 0.890 418 E CA -0.772 55.627 56.400 -0.003 0.000 0.754 418 E CB 2.413 32.177 29.700 0.107 0.000 1.207 418 E HN 0.917 nan 8.360 nan 0.000 0.426 419 I N 3.745 124.229 120.570 -0.144 0.000 2.841 419 I HA 0.576 4.746 4.170 0.001 0.000 0.298 419 I C -2.027 174.170 176.117 0.134 0.000 1.304 419 I CA -0.756 60.486 61.300 -0.097 0.000 1.019 419 I CB 1.174 39.166 38.000 -0.014 0.000 1.282 419 I HN 0.694 nan 8.210 nan 0.000 0.432 420 W N 5.760 127.234 121.300 0.290 0.000 2.915 420 W HA 0.821 5.481 4.660 0.001 0.000 0.337 420 W C -1.727 174.993 176.519 0.335 0.000 1.102 420 W CA -0.852 56.660 57.345 0.279 0.000 1.224 420 W CB 0.041 29.639 29.460 0.230 0.000 1.416 420 W HN 0.668 nan 8.180 nan 0.000 0.503 421 W N 0.000 121.458 121.300 0.263 0.000 2.388 421 W HA 0.000 4.660 4.660 0.001 0.000 0.303 421 W CA 0.000 57.448 57.345 0.171 0.000 1.226 421 W CB 0.000 29.468 29.460 0.013 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535