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 3kdn_1_E DATA FIRST_RESID 7 DATA SEQUENCE TIYDYYVDKG YEPSKKRDII AVFRVTPAEG YTIEQAAGAV AAESSTGTWT DATA SEQUENCE TLYPWYEQER WADLSAKAYD FHDMGDGSWI VRIAYPFHAF EEANLPGLLA DATA SEQUENCE SIAGNIFGMK RVKGLRLEDL YFPEKLIREF DGPAFGIEGV RKMLEIKDRP DATA SEQUENCE IYGVVPKPKV GYSPEEFEKL AYDLLSNGAD YMXDDENLTS PWYNRFEERA DATA SEQUENCE EIMAKIIDKV ENETGEKKTW FANITADLLE MEQRLEVLAD LGLKHAMVDV DATA SEQUENCE VITGWGALRY IRDLAADYGL AIHGHRAMHA AFTRNPYHGI SMFVLAKLYR DATA SEQUENCE LIGIDQLHVG TAGAGKLEGE RDITIQNARI LRESHYKPDE NDVFHLEQKF DATA SEQUENCE YSIKAAFPTS SGGLHPGNIQ PVIEALGTDI VLQLGGGTLG HPDGPAAGAR DATA SEQUENCE AVRQAIDAIM QGIPLDEYAK THKELARALE KWGHVTPV 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.689 174.700 -0.018 0.000 1.109 7 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 7 T CB 0.000 68.824 68.868 -0.074 0.000 0.612 8 I N 0.201 120.723 120.570 -0.080 0.000 4.139 8 I HA 0.554 4.724 4.170 0.001 0.000 0.335 8 I C 2.085 178.400 176.117 0.329 0.000 1.327 8 I CA 0.335 61.684 61.300 0.082 0.000 1.112 8 I CB -1.130 36.898 38.000 0.046 0.000 1.058 8 I HN 0.448 nan 8.210 nan 0.000 0.396 9 Y N 1.058 121.524 120.300 0.277 0.000 2.333 9 Y HA -0.141 4.409 4.550 0.001 0.000 0.290 9 Y C 2.195 178.309 175.900 0.356 0.000 1.144 9 Y CA 1.521 59.809 58.100 0.313 0.000 1.228 9 Y CB -0.965 37.593 38.460 0.162 0.000 0.985 9 Y HN 0.482 nan 8.280 nan 0.000 0.542 10 D N -1.483 119.156 120.400 0.398 0.000 2.263 10 D HA -0.206 4.435 4.640 0.001 0.000 0.208 10 D C 1.847 178.287 176.300 0.233 0.000 0.971 10 D CA 0.785 54.943 54.000 0.263 0.000 0.867 10 D CB -0.559 40.345 40.800 0.173 0.000 0.929 10 D HN 0.416 nan 8.370 nan 0.000 0.492 11 Y N -0.364 120.024 120.300 0.147 0.000 2.403 11 Y HA -0.243 4.308 4.550 0.001 0.000 0.291 11 Y C 0.891 176.678 175.900 -0.188 0.000 1.143 11 Y CA 1.353 59.424 58.100 -0.049 0.000 1.257 11 Y CB -0.196 38.189 38.460 -0.125 0.000 0.984 11 Y HN 0.080 nan 8.280 nan 0.000 0.550 12 Y N -1.012 119.362 120.300 0.124 0.000 2.461 12 Y HA 0.234 4.784 4.550 0.001 0.000 0.277 12 Y C 0.101 175.981 175.900 -0.035 0.000 1.182 12 Y CA -0.350 57.754 58.100 0.007 0.000 1.276 12 Y CB 0.208 38.713 38.460 0.076 0.000 1.087 12 Y HN -0.245 nan 8.280 nan 0.000 0.519 13 V N 1.206 121.177 119.914 0.095 0.000 2.350 13 V HA 0.223 4.343 4.120 0.001 0.000 0.276 13 V C -0.708 175.404 176.094 0.030 0.000 1.028 13 V CA -0.539 61.833 62.300 0.118 0.000 0.860 13 V CB 1.414 33.320 31.823 0.139 0.000 0.990 13 V HN 0.052 nan 8.190 nan 0.000 0.453 14 D N 3.645 124.095 120.400 0.084 0.000 2.364 14 D HA 0.291 4.931 4.640 0.001 0.000 0.251 14 D C 0.779 177.201 176.300 0.203 0.000 1.282 14 D CA -0.469 53.571 54.000 0.067 0.000 0.927 14 D CB 1.233 42.020 40.800 -0.022 0.000 1.267 14 D HN 0.423 nan 8.370 nan 0.000 0.531 15 K N 0.550 121.049 120.400 0.166 0.000 2.362 15 K HA 0.060 4.380 4.320 0.001 0.000 0.200 15 K C 1.721 178.434 176.600 0.188 0.000 1.046 15 K CA 0.759 57.172 56.287 0.210 0.000 0.952 15 K CB 0.425 32.973 32.500 0.081 0.000 0.753 15 K HN 0.311 nan 8.250 nan 0.000 0.466 16 G N 0.090 108.971 108.800 0.135 0.000 2.880 16 G HA2 -0.146 3.814 3.960 0.001 0.000 0.209 16 G HA3 -0.146 3.814 3.960 0.001 0.000 0.209 16 G C -0.118 174.841 174.900 0.099 0.000 1.157 16 G CA -0.260 44.897 45.100 0.094 0.000 0.779 16 G HN 0.196 nan 8.290 nan 0.000 0.539 17 Y N 2.271 122.588 120.300 0.028 0.000 2.377 17 Y HA 0.329 4.879 4.550 0.001 0.000 0.330 17 Y C 0.051 175.873 175.900 -0.132 0.000 1.108 17 Y CA -0.806 57.266 58.100 -0.048 0.000 1.308 17 Y CB 0.548 38.975 38.460 -0.054 0.000 1.216 17 Y HN 0.127 nan 8.280 nan 0.000 0.518 18 E N 8.707 128.378 120.200 -0.882 0.000 2.113 18 E HA 0.263 4.613 4.350 0.001 0.000 0.273 18 E C -2.526 173.394 176.600 -1.135 0.000 0.924 18 E CA -2.243 53.698 56.400 -0.765 0.000 0.764 18 E CB 0.939 30.398 29.700 -0.402 0.000 1.104 18 E HN 0.480 nan 8.360 nan 0.000 0.406 19 P HA -0.028 nan 4.420 nan 0.000 0.275 19 P C -0.364 176.785 177.300 -0.251 0.000 1.228 19 P CA -0.301 62.505 63.100 -0.490 0.000 0.786 19 P CB 1.147 32.620 31.700 -0.379 0.000 0.927 20 S N 1.793 117.456 115.700 -0.063 0.000 2.465 20 S HA 0.119 4.589 4.470 0.001 0.000 0.279 20 S C 1.212 175.868 174.600 0.094 0.000 1.201 20 S CA -0.523 57.686 58.200 0.016 0.000 1.053 20 S CB -0.009 63.241 63.200 0.084 0.000 0.953 20 S HN 0.271 nan 8.310 nan 0.000 0.488 21 K N 2.957 123.395 120.400 0.064 0.000 2.209 21 K HA -0.021 4.299 4.320 0.001 0.000 0.204 21 K C 1.237 178.000 176.600 0.271 0.000 1.048 21 K CA 0.965 57.330 56.287 0.130 0.000 0.940 21 K CB 0.068 32.615 32.500 0.077 0.000 0.729 21 K HN 0.448 nan 8.250 nan 0.000 0.451 22 K N -0.097 120.422 120.400 0.199 0.000 2.354 22 K HA 0.092 4.413 4.320 0.001 0.000 0.194 22 K C 1.393 178.131 176.600 0.230 0.000 1.038 22 K CA 0.510 56.905 56.287 0.179 0.000 1.052 22 K CB 0.616 33.185 32.500 0.114 0.000 0.861 22 K HN 0.131 nan 8.250 nan 0.000 0.535 23 R N -0.001 120.685 120.500 0.310 0.000 2.394 23 R HA 0.162 4.502 4.340 0.001 0.000 0.220 23 R C -0.355 176.250 176.300 0.507 0.000 0.887 23 R CA -0.088 56.303 56.100 0.484 0.000 1.034 23 R CB 0.830 31.329 30.300 0.331 0.000 1.179 23 R HN -0.038 nan 8.270 nan 0.000 0.561 24 D N 0.966 121.612 120.400 0.409 0.000 2.192 24 D HA 0.322 4.962 4.640 0.001 0.000 0.246 24 D C -0.351 176.246 176.300 0.496 0.000 1.042 24 D CA -0.387 53.860 54.000 0.412 0.000 0.847 24 D CB 1.998 42.998 40.800 0.334 0.000 1.186 24 D HN -0.071 nan 8.370 nan 0.000 0.461 25 I N 2.277 123.146 120.570 0.498 0.000 2.472 25 I HA 0.269 4.440 4.170 0.001 0.000 0.290 25 I C 0.201 176.658 176.117 0.568 0.000 1.016 25 I CA -0.331 61.275 61.300 0.509 0.000 1.348 25 I CB 0.899 39.134 38.000 0.391 0.000 1.417 25 I HN 0.107 nan 8.210 nan 0.000 0.521 26 I N 5.675 126.569 120.570 0.539 0.000 2.447 26 I HA 0.475 4.646 4.170 0.001 0.000 0.287 26 I C -0.144 176.144 176.117 0.285 0.000 1.023 26 I CA -0.592 60.978 61.300 0.449 0.000 1.083 26 I CB 1.803 40.030 38.000 0.378 0.000 1.245 26 I HN 0.553 nan 8.210 nan 0.000 0.434 27 A N 6.550 129.532 122.820 0.269 0.000 2.292 27 A HA 0.720 5.040 4.320 0.001 0.000 0.319 27 A C -0.471 177.011 177.584 -0.170 0.000 1.206 27 A CA -0.462 51.544 52.037 -0.052 0.000 0.835 27 A CB 0.988 19.930 19.000 -0.098 0.000 1.164 27 A HN 0.469 nan 8.150 nan 0.000 0.505 28 V N 3.319 123.057 119.914 -0.295 0.000 2.350 28 V HA 0.410 4.531 4.120 0.001 0.000 0.276 28 V C -0.937 174.967 176.094 -0.316 0.000 1.028 28 V CA -0.080 62.095 62.300 -0.208 0.000 0.860 28 V CB 0.091 31.850 31.823 -0.105 0.000 0.990 28 V HN 0.680 nan 8.190 nan 0.000 0.453 29 F N 3.303 123.257 119.950 0.007 0.000 2.469 29 F HA 0.576 5.104 4.527 0.001 0.000 0.332 29 F C 0.538 176.376 175.800 0.064 0.000 1.103 29 F CA -0.809 57.209 58.000 0.030 0.000 0.979 29 F CB 1.711 40.702 39.000 -0.014 0.000 1.137 29 F HN 0.314 nan 8.300 nan 0.000 0.463 30 R N 2.960 123.650 120.500 0.317 0.000 2.235 30 R HA 0.553 4.894 4.340 0.001 0.000 0.338 30 R C -1.634 174.851 176.300 0.307 0.000 1.087 30 R CA -0.230 56.048 56.100 0.297 0.000 0.948 30 R CB 0.348 30.820 30.300 0.287 0.000 1.099 30 R HN 0.539 nan 8.270 nan 0.000 0.483 31 V N 4.213 124.290 119.914 0.272 0.000 2.394 31 V HA 0.261 4.381 4.120 0.001 0.000 0.282 31 V C -0.014 176.231 176.094 0.253 0.000 1.031 31 V CA -0.444 61.978 62.300 0.203 0.000 0.881 31 V CB 1.838 33.716 31.823 0.092 0.000 0.982 31 V HN 0.731 nan 8.190 nan 0.000 0.451 32 T N 7.785 122.470 114.554 0.219 0.000 2.821 32 T HA 0.362 4.713 4.350 0.001 0.000 0.307 32 T C -2.618 172.160 174.700 0.130 0.000 1.034 32 T CA -1.233 60.986 62.100 0.198 0.000 0.953 32 T CB 1.369 70.335 68.868 0.163 0.000 0.968 32 T HN 0.396 nan 8.240 nan 0.000 0.462 33 P HA 0.260 nan 4.420 nan 0.000 0.268 33 P C -0.348 177.015 177.300 0.106 0.000 1.205 33 P CA -0.346 62.811 63.100 0.094 0.000 0.771 33 P CB 0.416 32.184 31.700 0.114 0.000 0.858 34 A N 2.441 125.315 122.820 0.089 0.000 2.425 34 A HA 0.040 4.360 4.320 0.001 0.000 0.242 34 A C 0.473 178.192 177.584 0.226 0.000 1.077 34 A CA -0.283 51.831 52.037 0.128 0.000 0.781 34 A CB -0.425 18.623 19.000 0.080 0.000 1.020 34 A HN 0.609 nan 8.150 nan 0.000 0.494 35 E N 0.085 120.381 120.200 0.159 0.000 2.652 35 E HA 0.202 4.553 4.350 0.001 0.000 0.255 35 E C 1.310 177.988 176.600 0.129 0.000 0.952 35 E CA 1.321 57.794 56.400 0.121 0.000 0.947 35 E CB -0.122 29.624 29.700 0.077 0.000 0.912 35 E HN 1.427 nan 8.360 nan 0.000 0.489 36 G N 3.355 112.185 108.800 0.051 0.000 2.217 36 G HA2 -0.297 3.664 3.960 0.001 0.000 0.246 36 G HA3 -0.297 3.664 3.960 0.001 0.000 0.246 36 G C -0.476 174.294 174.900 -0.216 0.000 0.990 36 G CA 0.210 45.252 45.100 -0.096 0.000 0.627 36 G HN 0.545 nan 8.290 nan 0.000 0.522 37 Y N 1.901 122.216 120.300 0.025 0.000 2.361 37 Y HA 0.569 5.119 4.550 0.001 0.000 0.332 37 Y C 1.304 177.206 175.900 0.003 0.000 1.101 37 Y CA -0.012 58.099 58.100 0.020 0.000 1.137 37 Y CB 1.512 39.986 38.460 0.025 0.000 1.207 37 Y HN 0.265 nan 8.280 nan 0.000 0.463 38 T N -0.821 113.805 114.554 0.120 0.000 2.828 38 T HA 0.095 4.446 4.350 0.001 0.000 0.290 38 T C 1.004 175.682 174.700 -0.036 0.000 1.019 38 T CA -0.532 61.575 62.100 0.013 0.000 1.031 38 T CB 0.810 69.659 68.868 -0.033 0.000 1.001 38 T HN 0.638 nan 8.240 nan 0.000 0.531 39 I N 0.666 121.103 120.570 -0.221 0.000 2.493 39 I HA -0.017 4.154 4.170 0.001 0.000 0.254 39 I C 2.117 178.178 176.117 -0.093 0.000 1.160 39 I CA 1.440 62.548 61.300 -0.319 0.000 1.445 39 I CB -0.711 36.677 38.000 -1.021 0.000 1.086 39 I HN 0.775 nan 8.210 nan 0.000 0.433 40 E N 0.116 120.242 120.200 -0.123 0.000 2.072 40 E HA -0.217 4.134 4.350 0.001 0.000 0.191 40 E C 2.200 178.838 176.600 0.063 0.000 0.985 40 E CA 1.308 57.696 56.400 -0.020 0.000 0.801 40 E CB -0.277 29.338 29.700 -0.141 0.000 0.750 40 E HN 0.587 nan 8.360 nan 0.000 0.452 41 Q N -0.075 119.765 119.800 0.066 0.000 2.084 41 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 41 Q C 2.189 178.223 176.000 0.056 0.000 0.978 41 Q CA 1.419 57.303 55.803 0.135 0.000 0.844 41 Q CB -0.184 28.701 28.738 0.245 0.000 0.898 41 Q HN 0.303 nan 8.270 nan 0.000 0.426 42 A N 1.057 123.881 122.820 0.006 0.000 1.872 42 A HA -0.064 4.256 4.320 0.001 0.000 0.214 42 A C 2.315 179.822 177.584 -0.129 0.000 1.187 42 A CA 1.437 53.420 52.037 -0.089 0.000 0.614 42 A CB -0.889 18.075 19.000 -0.060 0.000 0.826 42 A HN 0.383 nan 8.150 nan 0.000 0.442 43 A N -0.296 122.491 122.820 -0.055 0.000 1.883 43 A HA 0.054 4.374 4.320 0.001 0.000 0.217 43 A C 2.475 180.012 177.584 -0.079 0.000 1.186 43 A CA 2.183 54.174 52.037 -0.077 0.000 0.624 43 A CB -1.598 17.417 19.000 0.025 0.000 0.822 43 A HN 0.820 nan 8.150 nan 0.000 0.444 44 G N -0.467 108.344 108.800 0.017 0.000 2.476 44 G HA2 -0.108 3.853 3.960 0.001 0.000 0.218 44 G HA3 -0.108 3.853 3.960 0.001 0.000 0.218 44 G C 1.789 176.574 174.900 -0.192 0.000 1.164 44 G CA 1.898 47.033 45.100 0.058 0.000 0.768 44 G HN 0.927 nan 8.290 nan 0.000 0.560 45 A N -0.135 122.412 122.820 -0.455 0.000 1.908 45 A HA 0.054 4.375 4.320 0.001 0.000 0.218 45 A C 2.624 179.804 177.584 -0.674 0.000 1.181 45 A CA 1.994 53.388 52.037 -1.072 0.000 0.627 45 A CB -0.629 17.811 19.000 -0.933 0.000 0.818 45 A HN 0.311 nan 8.150 nan 0.000 0.445 46 V N -0.368 119.271 119.914 -0.459 0.000 2.427 46 V HA -0.198 3.923 4.120 0.001 0.000 0.248 46 V C 3.001 178.894 176.094 -0.334 0.000 1.051 46 V CA 1.837 63.872 62.300 -0.440 0.000 1.048 46 V CB -1.082 30.419 31.823 -0.537 0.000 0.666 46 V HN 0.615 nan 8.190 nan 0.000 0.456 47 A N -0.168 122.494 122.820 -0.263 0.000 1.929 47 A HA 0.006 4.327 4.320 0.001 0.000 0.216 47 A C 2.395 179.772 177.584 -0.345 0.000 1.176 47 A CA 1.791 53.721 52.037 -0.179 0.000 0.628 47 A CB -0.619 18.337 19.000 -0.073 0.000 0.816 47 A HN 0.526 nan 8.150 nan 0.000 0.444 48 A N -0.191 122.237 122.820 -0.652 0.000 1.841 48 A HA -0.119 4.201 4.320 0.001 0.000 0.214 48 A C 1.841 179.176 177.584 -0.416 0.000 1.195 48 A CA 1.528 52.935 52.037 -1.049 0.000 0.611 48 A CB -0.467 18.072 19.000 -0.770 0.000 0.835 48 A HN 0.399 nan 8.150 nan 0.000 0.443 49 E N 0.606 120.633 120.200 -0.288 0.000 2.409 49 E HA -0.079 4.271 4.350 0.001 0.000 0.198 49 E C 1.860 178.412 176.600 -0.079 0.000 1.024 49 E CA 1.111 57.435 56.400 -0.128 0.000 0.861 49 E CB -0.233 29.385 29.700 -0.137 0.000 0.788 49 E HN 0.739 nan 8.360 nan 0.000 0.521 50 S N -1.020 114.639 115.700 -0.068 0.000 2.556 50 S HA 0.097 4.568 4.470 0.001 0.000 0.216 50 S C 1.549 176.256 174.600 0.177 0.000 0.970 50 S CA 0.383 58.623 58.200 0.066 0.000 0.912 50 S CB 0.308 63.599 63.200 0.152 0.000 0.790 50 S HN 0.177 nan 8.310 nan 0.000 0.504 51 S N 1.746 117.500 115.700 0.089 0.000 3.669 51 S HA 0.196 4.666 4.470 0.001 0.000 0.171 51 S C 1.291 175.914 174.600 0.039 0.000 0.855 51 S CA 0.572 58.827 58.200 0.092 0.000 1.037 51 S CB -0.211 63.066 63.200 0.130 0.000 1.477 51 S HN 0.517 nan 8.310 nan 0.000 0.854 52 T N -0.646 113.955 114.554 0.078 0.000 3.043 52 T HA 0.513 4.863 4.350 0.001 0.000 0.272 52 T C 0.758 175.652 174.700 0.324 0.000 0.990 52 T CA 0.283 62.493 62.100 0.183 0.000 0.897 52 T CB 0.110 69.064 68.868 0.144 0.000 1.111 52 T HN 0.716 nan 8.240 nan 0.000 0.529 53 G N 0.278 109.172 108.800 0.156 0.000 2.522 53 G HA2 0.565 4.526 3.960 0.001 0.000 0.304 53 G HA3 0.565 4.526 3.960 0.001 0.000 0.304 53 G C -0.928 174.081 174.900 0.181 0.000 1.210 53 G CA -0.363 44.861 45.100 0.206 0.000 0.960 53 G HN 0.371 nan 8.290 nan 0.000 0.497 54 T N -1.422 113.248 114.554 0.194 0.000 2.816 54 T HA 0.398 4.749 4.350 0.001 0.000 0.299 54 T C 0.287 175.012 174.700 0.041 0.000 1.230 54 T CA -0.550 61.624 62.100 0.123 0.000 1.007 54 T CB 1.039 69.886 68.868 -0.035 0.000 1.289 54 T HN 0.718 nan 8.240 nan 0.000 0.508 55 W N 1.619 122.920 121.300 0.001 0.000 2.905 55 W HA 0.314 4.974 4.660 0.001 0.000 0.251 55 W C 0.218 176.620 176.519 -0.195 0.000 1.305 55 W CA 0.317 57.576 57.345 -0.144 0.000 1.465 55 W CB -0.834 28.636 29.460 0.016 0.000 1.122 55 W HN 0.617 nan 8.180 nan 0.000 0.659 56 T N 1.521 115.599 114.554 -0.793 0.000 2.896 56 T HA 0.334 4.685 4.350 0.001 0.000 0.297 56 T C -0.049 174.387 174.700 -0.441 0.000 1.108 56 T CA -0.146 61.507 62.100 -0.745 0.000 1.004 56 T CB 1.605 69.650 68.868 -1.372 0.000 1.159 56 T HN 0.018 nan 8.240 nan 0.000 0.499 57 T N 0.669 115.048 114.554 -0.291 0.000 2.928 57 T HA 0.563 4.914 4.350 0.001 0.000 0.305 57 T C 0.464 175.059 174.700 -0.175 0.000 1.035 57 T CA -0.198 61.788 62.100 -0.190 0.000 1.145 57 T CB -0.127 68.663 68.868 -0.130 0.000 0.963 57 T HN 0.919 nan 8.240 nan 0.000 0.545 58 L N 2.601 123.751 121.223 -0.121 0.000 2.304 58 L HA 0.811 5.151 4.340 0.001 0.000 0.268 58 L C -0.106 176.807 176.870 0.072 0.000 1.010 58 L CA -1.894 52.936 54.840 -0.016 0.000 0.813 58 L CB 0.335 42.411 42.059 0.029 0.000 1.315 58 L HN 0.999 nan 8.230 nan 0.000 0.445 59 Y N 2.461 122.807 120.300 0.077 0.000 2.335 59 Y HA 0.547 5.097 4.550 0.001 0.000 0.331 59 Y C -1.786 174.248 175.900 0.224 0.000 1.094 59 Y CA -2.186 55.980 58.100 0.111 0.000 1.253 59 Y CB 1.187 39.708 38.460 0.101 0.000 1.203 59 Y HN 0.543 nan 8.280 nan 0.000 0.508 60 P HA 0.008 nan 4.420 nan 0.000 0.277 60 P C -0.397 176.621 177.300 -0.470 0.000 1.354 60 P CA 0.226 62.955 63.100 -0.619 0.000 0.891 60 P CB -0.212 31.110 31.700 -0.630 0.000 1.058 61 W N 3.996 125.117 121.300 -0.298 0.000 2.304 61 W HA 0.201 4.861 4.660 0.001 0.000 0.326 61 W C -1.111 175.432 176.519 0.040 0.000 0.920 61 W CA -0.650 56.686 57.345 -0.015 0.000 1.518 61 W CB -0.860 28.754 29.460 0.257 0.000 1.112 61 W HN 0.181 nan 8.180 nan 0.000 0.528 62 Y N -0.514 119.445 120.300 -0.567 0.000 2.634 62 Y HA 0.631 5.181 4.550 0.001 0.000 0.340 62 Y C -0.063 175.643 175.900 -0.324 0.000 1.058 62 Y CA -2.086 55.684 58.100 -0.551 0.000 1.081 62 Y CB 0.441 38.342 38.460 -0.930 0.000 1.295 62 Y HN -0.067 nan 8.280 nan 0.000 0.487 63 E N 1.548 121.685 120.200 -0.104 0.000 2.328 63 E HA -0.031 4.319 4.350 0.001 0.000 0.265 63 E C 0.431 177.017 176.600 -0.023 0.000 1.057 63 E CA -0.067 56.277 56.400 -0.093 0.000 0.916 63 E CB 1.124 30.814 29.700 -0.017 0.000 0.993 63 E HN 0.814 nan 8.360 nan 0.000 0.446 64 Q N 3.532 123.241 119.800 -0.151 0.000 2.096 64 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 64 Q C 1.095 177.203 176.000 0.181 0.000 0.982 64 Q CA 2.149 57.934 55.803 -0.030 0.000 0.850 64 Q CB 0.174 28.835 28.738 -0.128 0.000 0.901 64 Q HN 0.634 nan 8.270 nan 0.000 0.422 65 E N -0.483 119.767 120.200 0.083 0.000 2.077 65 E HA -0.162 4.189 4.350 0.001 0.000 0.193 65 E C 1.880 178.534 176.600 0.090 0.000 0.989 65 E CA 1.214 57.662 56.400 0.079 0.000 0.800 65 E CB -0.246 29.473 29.700 0.032 0.000 0.746 65 E HN 0.257 nan 8.360 nan 0.000 0.452 66 R N -0.451 120.106 120.500 0.096 0.000 2.073 66 R HA -0.171 4.170 4.340 0.001 0.000 0.234 66 R C 2.121 178.474 176.300 0.088 0.000 1.134 66 R CA 1.602 57.746 56.100 0.074 0.000 0.952 66 R CB -0.469 29.868 30.300 0.062 0.000 0.850 66 R HN 0.361 nan 8.270 nan 0.000 0.433 67 W N 1.064 122.355 121.300 -0.016 0.000 2.335 67 W HA -0.224 4.436 4.660 0.001 0.000 0.311 67 W C 2.001 178.496 176.519 -0.039 0.000 1.213 67 W CA 2.322 59.639 57.345 -0.047 0.000 1.274 67 W CB -0.520 28.955 29.460 0.025 0.000 1.148 67 W HN 0.191 nan 8.180 nan 0.000 0.498 68 A N 0.001 122.755 122.820 -0.109 0.000 1.902 68 A HA -0.267 4.053 4.320 0.001 0.000 0.217 68 A C 1.710 179.130 177.584 -0.273 0.000 1.181 68 A CA 2.263 54.092 52.037 -0.348 0.000 0.623 68 A CB -1.395 17.612 19.000 0.011 0.000 0.818 68 A HN 0.443 nan 8.150 nan 0.000 0.443 69 D N -0.567 119.751 120.400 -0.136 0.000 2.221 69 D HA -0.090 4.550 4.640 0.001 0.000 0.204 69 D C 1.496 177.679 176.300 -0.196 0.000 0.982 69 D CA 1.032 54.972 54.000 -0.100 0.000 0.857 69 D CB -0.117 40.683 40.800 -0.000 0.000 0.934 69 D HN 0.451 nan 8.370 nan 0.000 0.475 70 L N -0.487 120.569 121.223 -0.280 0.000 2.616 70 L HA 0.230 4.571 4.340 0.001 0.000 0.229 70 L C 0.522 177.190 176.870 -0.336 0.000 1.110 70 L CA -0.197 54.430 54.840 -0.354 0.000 0.884 70 L CB 0.308 42.177 42.059 -0.315 0.000 1.115 70 L HN -0.151 nan 8.230 nan 0.000 0.481 71 S N 0.978 116.442 115.700 -0.393 0.000 2.565 71 S HA 0.498 4.968 4.470 0.001 0.000 0.276 71 S C 0.487 174.958 174.600 -0.216 0.000 1.326 71 S CA -0.603 57.417 58.200 -0.300 0.000 1.045 71 S CB 1.501 64.377 63.200 -0.539 0.000 0.918 71 S HN 0.260 nan 8.310 nan 0.000 0.505 72 A N 3.239 126.004 122.820 -0.092 0.000 2.313 72 A HA 0.549 4.870 4.320 0.001 0.000 0.261 72 A C -0.134 177.323 177.584 -0.211 0.000 1.090 72 A CA -0.416 51.445 52.037 -0.293 0.000 0.807 72 A CB 0.281 18.919 19.000 -0.604 0.000 1.055 72 A HN 0.775 nan 8.150 nan 0.000 0.492 73 K N 0.444 120.669 120.400 -0.293 0.000 2.578 73 K HA 0.526 4.846 4.320 0.001 0.000 0.250 73 K C -0.819 175.781 176.600 -0.001 0.000 0.955 73 K CA -0.284 55.899 56.287 -0.172 0.000 0.825 73 K CB 2.112 34.397 32.500 -0.359 0.000 1.151 73 K HN 0.765 nan 8.250 nan 0.000 0.432 74 A N 2.972 125.813 122.820 0.036 0.000 2.395 74 A HA 0.217 4.537 4.320 0.001 0.000 0.286 74 A C 0.002 177.704 177.584 0.196 0.000 1.193 74 A CA 0.010 52.057 52.037 0.016 0.000 0.852 74 A CB -0.525 18.465 19.000 -0.016 0.000 1.118 74 A HN 0.950 nan 8.150 nan 0.000 0.524 75 Y N 0.280 120.650 120.300 0.117 0.000 2.423 75 Y HA 0.488 5.038 4.550 0.001 0.000 0.257 75 Y C -0.015 176.050 175.900 0.275 0.000 1.087 75 Y CA -0.314 57.926 58.100 0.233 0.000 1.258 75 Y CB 0.278 38.891 38.460 0.256 0.000 1.237 75 Y HN 0.467 nan 8.280 nan 0.000 0.517 76 D N 0.578 120.736 120.400 -0.403 0.000 2.757 76 D HA 0.437 5.078 4.640 0.001 0.000 0.249 76 D C -1.779 174.452 176.300 -0.114 0.000 1.168 76 D CA -0.332 53.595 54.000 -0.122 0.000 0.870 76 D CB 1.213 41.822 40.800 -0.319 0.000 1.411 76 D HN 0.072 nan 8.370 nan 0.000 0.525 77 F N 2.102 122.094 119.950 0.070 0.000 2.507 77 F HA 0.371 4.898 4.527 0.001 0.000 0.325 77 F C -0.345 175.675 175.800 0.366 0.000 1.116 77 F CA -1.068 57.072 58.000 0.234 0.000 0.930 77 F CB 1.846 40.966 39.000 0.200 0.000 1.146 77 F HN 0.373 nan 8.300 nan 0.000 0.447 78 H N 1.920 121.227 119.070 0.394 0.000 2.727 78 H HA 0.226 4.783 4.556 0.001 0.000 0.330 78 H C -1.115 174.149 175.328 -0.107 0.000 0.986 78 H CA -0.875 55.251 56.048 0.131 0.000 1.251 78 H CB 1.027 30.772 29.762 -0.029 0.000 1.493 78 H HN 0.490 nan 8.280 nan 0.000 0.515 79 D N 5.169 124.944 120.400 -1.040 0.000 2.382 79 D HA -0.040 4.600 4.640 0.001 0.000 0.259 79 D C 0.824 176.457 176.300 -1.113 0.000 1.224 79 D CA -0.037 52.970 54.000 -1.655 0.000 0.894 79 D CB 0.713 40.638 40.800 -1.459 0.000 1.127 79 D HN 0.573 nan 8.370 nan 0.000 0.487 80 M N 2.549 121.700 119.600 -0.749 0.000 2.419 80 M HA 0.111 4.592 4.480 0.001 0.000 0.264 80 M C 1.750 177.894 176.300 -0.259 0.000 1.082 80 M CA 0.958 56.050 55.300 -0.346 0.000 1.119 80 M CB -0.868 31.685 32.600 -0.079 0.000 1.398 80 M HN 0.739 nan 8.290 nan 0.000 0.453 81 G N 1.105 109.705 108.800 -0.334 0.000 2.217 81 G HA2 -0.248 3.712 3.960 0.001 0.000 0.246 81 G HA3 -0.248 3.712 3.960 0.001 0.000 0.246 81 G C 0.318 175.167 174.900 -0.086 0.000 0.990 81 G CA 0.617 45.598 45.100 -0.198 0.000 0.627 81 G HN 0.550 nan 8.290 nan 0.000 0.522 82 D N -0.184 120.193 120.400 -0.038 0.000 2.363 82 D HA 0.441 5.081 4.640 0.001 0.000 0.214 82 D C 1.716 178.031 176.300 0.025 0.000 1.093 82 D CA 0.663 54.678 54.000 0.025 0.000 0.837 82 D CB -0.250 40.614 40.800 0.108 0.000 0.948 82 D HN 1.604 nan 8.370 nan 0.000 0.507 83 G N 0.021 108.841 108.800 0.033 0.000 2.195 83 G HA2 -0.226 3.734 3.960 0.001 0.000 0.224 83 G HA3 -0.226 3.734 3.960 0.001 0.000 0.224 83 G C 0.339 175.363 174.900 0.207 0.000 0.990 83 G CA 0.219 45.383 45.100 0.107 0.000 0.639 83 G HN 0.849 nan 8.290 nan 0.000 0.514 84 S N -0.997 114.814 115.700 0.185 0.000 2.681 84 S HA 0.852 5.322 4.470 0.001 0.000 0.299 84 S C -0.824 173.920 174.600 0.240 0.000 1.113 84 S CA -0.604 57.785 58.200 0.315 0.000 1.013 84 S CB 2.064 65.496 63.200 0.385 0.000 1.076 84 S HN 0.649 nan 8.310 nan 0.000 0.534 85 W N 0.132 121.507 121.300 0.125 0.000 3.032 85 W HA 0.555 5.216 4.660 0.001 0.000 0.335 85 W C -0.935 175.636 176.519 0.087 0.000 1.154 85 W CA -0.980 56.418 57.345 0.089 0.000 1.204 85 W CB 1.284 30.808 29.460 0.107 0.000 1.416 85 W HN 0.476 nan 8.180 nan 0.000 0.521 86 I N 3.744 124.479 120.570 0.275 0.000 2.352 86 I HA 0.284 4.454 4.170 0.001 0.000 0.290 86 I C -0.183 175.985 176.117 0.086 0.000 1.036 86 I CA -0.837 60.556 61.300 0.156 0.000 1.336 86 I CB 0.143 38.163 38.000 0.034 0.000 1.407 86 I HN 0.048 nan 8.210 nan 0.000 0.497 87 V N 7.746 127.653 119.914 -0.012 0.000 2.540 87 V HA 0.466 4.586 4.120 0.001 0.000 0.302 87 V C 0.231 176.202 176.094 -0.205 0.000 1.035 87 V CA -0.911 61.228 62.300 -0.269 0.000 0.873 87 V CB 2.115 33.704 31.823 -0.389 0.000 0.992 87 V HN 0.632 nan 8.190 nan 0.000 0.428 88 R N 4.643 124.905 120.500 -0.396 0.000 2.346 88 R HA 0.740 5.080 4.340 0.001 0.000 0.311 88 R C -1.115 174.966 176.300 -0.365 0.000 0.983 88 R CA -0.464 55.411 56.100 -0.374 0.000 0.880 88 R CB 1.688 31.640 30.300 -0.580 0.000 1.100 88 R HN 0.601 nan 8.270 nan 0.000 0.453 89 I N 1.745 122.324 120.570 0.016 0.000 2.498 89 I HA 0.422 4.593 4.170 0.001 0.000 0.290 89 I C -0.306 175.942 176.117 0.218 0.000 1.032 89 I CA -0.890 60.465 61.300 0.091 0.000 1.073 89 I CB 2.170 40.230 38.000 0.099 0.000 1.251 89 I HN 0.605 nan 8.210 nan 0.000 0.426 90 A N 6.358 129.274 122.820 0.161 0.000 2.292 90 A HA 0.775 5.096 4.320 0.001 0.000 0.319 90 A C -1.461 176.056 177.584 -0.111 0.000 1.206 90 A CA -0.264 51.892 52.037 0.198 0.000 0.835 90 A CB 0.414 19.564 19.000 0.250 0.000 1.164 90 A HN 0.636 nan 8.150 nan 0.000 0.505 91 Y N 2.815 123.249 120.300 0.222 0.000 2.350 91 Y HA 0.449 5.000 4.550 0.001 0.000 0.338 91 Y C -2.189 173.827 175.900 0.192 0.000 0.961 91 Y CA -2.558 55.655 58.100 0.188 0.000 1.100 91 Y CB 2.115 40.805 38.460 0.384 0.000 1.179 91 Y HN 0.510 nan 8.280 nan 0.000 0.454 92 P HA -0.040 nan 4.420 nan 0.000 0.271 92 P C 0.522 177.883 177.300 0.100 0.000 1.216 92 P CA -0.149 62.989 63.100 0.062 0.000 0.771 92 P CB 0.576 32.165 31.700 -0.186 0.000 0.864 93 F N 3.179 123.298 119.950 0.282 0.000 2.269 93 F HA -0.187 4.340 4.527 0.001 0.000 0.301 93 F C 1.820 177.766 175.800 0.243 0.000 1.082 93 F CA 1.288 59.460 58.000 0.288 0.000 1.360 93 F CB -1.757 37.350 39.000 0.178 0.000 1.041 93 F HN 0.427 nan 8.300 nan 0.000 0.512 94 H N -0.320 118.453 119.070 -0.494 0.000 2.547 94 H HA 0.490 5.047 4.556 0.001 0.000 0.274 94 H C 1.588 176.807 175.328 -0.181 0.000 1.024 94 H CA 0.515 56.394 56.048 -0.281 0.000 1.155 94 H CB -0.699 28.770 29.762 -0.488 0.000 1.344 94 H HN 0.428 nan 8.280 nan 0.000 0.598 95 A N 0.559 123.065 122.820 -0.523 0.000 2.123 95 A HA 0.189 4.509 4.320 0.001 0.000 0.214 95 A C 0.137 177.363 177.584 -0.597 0.000 1.152 95 A CA -0.053 51.595 52.037 -0.649 0.000 0.728 95 A CB -0.174 18.314 19.000 -0.853 0.000 0.814 95 A HN 0.184 nan 8.150 nan 0.000 0.464 96 F N -0.048 119.880 119.950 -0.036 0.000 2.458 96 F HA 0.417 4.944 4.527 0.001 0.000 0.330 96 F C 0.487 176.288 175.800 0.002 0.000 1.082 96 F CA -1.266 56.722 58.000 -0.020 0.000 0.995 96 F CB 0.921 39.900 39.000 -0.034 0.000 1.170 96 F HN 0.136 nan 8.300 nan 0.000 0.478 97 E N 2.015 122.317 120.200 0.170 0.000 2.414 97 E HA -0.009 4.342 4.350 0.001 0.000 0.263 97 E C -0.478 176.163 176.600 0.069 0.000 1.000 97 E CA -0.269 56.187 56.400 0.093 0.000 0.914 97 E CB 0.503 30.237 29.700 0.056 0.000 0.948 97 E HN 0.597 nan 8.360 nan 0.000 0.444 98 E N 2.310 122.534 120.200 0.040 0.000 2.414 98 E HA 0.108 4.458 4.350 0.001 0.000 0.263 98 E C 0.090 176.638 176.600 -0.086 0.000 1.000 98 E CA 0.572 56.961 56.400 -0.019 0.000 0.914 98 E CB 0.579 30.267 29.700 -0.019 0.000 0.948 98 E HN 0.719 nan 8.360 nan 0.000 0.444 99 A N 3.844 126.559 122.820 -0.175 0.000 2.687 99 A HA -0.222 4.099 4.320 0.001 0.000 0.299 99 A C -0.001 177.474 177.584 -0.182 0.000 1.497 99 A CA 0.944 52.828 52.037 -0.254 0.000 0.751 99 A CB -1.567 17.297 19.000 -0.226 0.000 1.048 99 A HN 0.508 nan 8.150 nan 0.000 0.464 100 N N -0.337 118.276 118.700 -0.145 0.000 2.727 100 N HA 0.374 5.114 4.740 0.001 0.000 0.252 100 N C 0.388 175.845 175.510 -0.088 0.000 1.283 100 N CA -0.241 52.760 53.050 -0.081 0.000 0.782 100 N CB 0.591 39.061 38.487 -0.028 0.000 1.199 100 N HN 0.392 nan 8.380 nan 0.000 0.520 101 L N 4.422 125.599 121.223 -0.076 0.000 2.046 101 L HA 0.228 4.569 4.340 0.001 0.000 0.208 101 L C -1.023 175.776 176.870 -0.119 0.000 1.077 101 L CA 1.962 56.766 54.840 -0.061 0.000 0.747 101 L CB -0.875 41.238 42.059 0.091 0.000 0.896 101 L HN 0.330 nan 8.230 nan 0.000 0.432 102 P HA -0.107 nan 4.420 nan 0.000 0.215 102 P C 1.640 178.916 177.300 -0.040 0.000 1.153 102 P CA 1.820 64.904 63.100 -0.026 0.000 0.853 102 P CB -0.380 31.364 31.700 0.073 0.000 0.788 103 G N -0.148 108.641 108.800 -0.018 0.000 2.402 103 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 103 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 103 G C 1.513 176.419 174.900 0.010 0.000 1.162 103 G CA 0.465 45.575 45.100 0.017 0.000 0.777 103 G HN 0.280 nan 8.290 nan 0.000 0.539 104 L N 0.035 121.199 121.223 -0.098 0.000 2.046 104 L HA 0.079 4.420 4.340 0.001 0.000 0.208 104 L C 2.725 179.461 176.870 -0.223 0.000 1.077 104 L CA 0.993 55.662 54.840 -0.285 0.000 0.747 104 L CB -0.167 41.580 42.059 -0.520 0.000 0.896 104 L HN 0.180 nan 8.230 nan 0.000 0.432 105 L N -0.086 121.005 121.223 -0.219 0.000 2.131 105 L HA -0.183 4.157 4.340 0.001 0.000 0.210 105 L C 2.796 179.611 176.870 -0.091 0.000 1.092 105 L CA 0.968 55.676 54.840 -0.219 0.000 0.759 105 L CB -0.829 40.996 42.059 -0.390 0.000 0.903 105 L HN 0.380 nan 8.230 nan 0.000 0.435 106 A N -1.220 121.575 122.820 -0.042 0.000 2.019 106 A HA -0.166 4.155 4.320 0.001 0.000 0.219 106 A C 2.515 180.118 177.584 0.032 0.000 1.164 106 A CA 1.967 54.014 52.037 0.016 0.000 0.644 106 A CB -0.340 18.682 19.000 0.036 0.000 0.805 106 A HN 0.335 nan 8.150 nan 0.000 0.449 107 S N -0.844 114.882 115.700 0.042 0.000 2.327 107 S HA 0.110 4.581 4.470 0.001 0.000 0.213 107 S C 1.614 176.221 174.600 0.013 0.000 1.032 107 S CA 1.009 59.254 58.200 0.075 0.000 0.960 107 S CB -0.248 63.097 63.200 0.242 0.000 0.900 107 S HN 0.492 nan 8.310 nan 0.000 0.469 108 I N 0.755 121.290 120.570 -0.058 0.000 3.578 108 I HA 0.164 4.334 4.170 0.001 0.000 0.295 108 I C 0.830 176.973 176.117 0.042 0.000 1.280 108 I CA 0.297 61.569 61.300 -0.047 0.000 1.347 108 I CB 0.277 38.138 38.000 -0.230 0.000 1.051 108 I HN 0.235 nan 8.210 nan 0.000 0.460 109 A N -0.073 122.753 122.820 0.010 0.000 2.676 109 A HA 0.625 4.945 4.320 0.001 0.000 0.258 109 A C 0.579 178.282 177.584 0.199 0.000 0.898 109 A CA 0.007 52.123 52.037 0.133 0.000 1.087 109 A CB -0.488 18.630 19.000 0.198 0.000 1.214 109 A HN 0.300 nan 8.150 nan 0.000 0.474 110 G N 0.170 108.998 108.800 0.046 0.000 3.374 110 G HA2 0.236 4.197 3.960 0.001 0.000 0.200 110 G HA3 0.236 4.197 3.960 0.001 0.000 0.200 110 G C 0.726 175.676 174.900 0.083 0.000 1.801 110 G CA 0.241 45.395 45.100 0.090 0.000 0.842 110 G HN 0.207 nan 8.290 nan 0.000 0.688 111 N N 1.240 119.958 118.700 0.030 0.000 2.272 111 N HA -0.118 4.623 4.740 0.001 0.000 0.185 111 N C 2.362 177.857 175.510 -0.025 0.000 1.014 111 N CA 1.208 54.275 53.050 0.028 0.000 0.870 111 N CB -0.434 38.064 38.487 0.018 0.000 0.975 111 N HN 0.604 nan 8.380 nan 0.000 0.433 112 I N -2.525 117.950 120.570 -0.158 0.000 2.264 112 I HA -0.224 3.946 4.170 0.001 0.000 0.248 112 I C 1.339 177.322 176.117 -0.224 0.000 1.111 112 I CA 1.363 62.491 61.300 -0.286 0.000 1.382 112 I CB -0.786 36.915 38.000 -0.499 0.000 1.060 112 I HN -0.195 nan 8.210 nan 0.000 0.418 113 F N 2.416 122.357 119.950 -0.015 0.000 2.333 113 F HA 0.002 4.530 4.527 0.001 0.000 0.300 113 F C 2.465 178.352 175.800 0.145 0.000 1.083 113 F CA 1.347 59.381 58.000 0.056 0.000 1.395 113 F CB -0.775 38.236 39.000 0.018 0.000 1.056 113 F HN 0.184 nan 8.300 nan 0.000 0.529 114 G N -1.114 107.811 108.800 0.209 0.000 3.126 114 G HA2 0.161 4.121 3.960 0.001 0.000 0.224 114 G HA3 0.161 4.121 3.960 0.001 0.000 0.224 114 G C 0.641 175.573 174.900 0.053 0.000 1.142 114 G CA -0.340 44.842 45.100 0.136 0.000 0.759 114 G HN 0.064 nan 8.290 nan 0.000 0.550 115 M N 0.863 120.471 119.600 0.013 0.000 2.238 115 M HA 0.144 4.624 4.480 0.001 0.000 0.350 115 M C 1.114 177.384 176.300 -0.049 0.000 1.321 115 M CA 0.244 55.517 55.300 -0.045 0.000 1.097 115 M CB 1.179 33.711 32.600 -0.113 0.000 1.713 115 M HN -0.020 nan 8.290 nan 0.000 0.455 116 K N 1.615 121.978 120.400 -0.062 0.000 2.360 116 K HA -0.144 4.176 4.320 0.001 0.000 0.201 116 K C 1.757 178.280 176.600 -0.128 0.000 1.046 116 K CA 1.120 57.367 56.287 -0.066 0.000 0.945 116 K CB -0.047 32.422 32.500 -0.053 0.000 0.750 116 K HN 0.485 nan 8.250 nan 0.000 0.464 117 R N 0.994 121.368 120.500 -0.210 0.000 2.235 117 R HA -0.046 4.294 4.340 0.001 0.000 0.213 117 R C 0.142 176.298 176.300 -0.240 0.000 1.059 117 R CA 0.501 56.366 56.100 -0.392 0.000 0.997 117 R CB 0.317 30.367 30.300 -0.417 0.000 0.884 117 R HN 0.044 nan 8.270 nan 0.000 0.462 118 V N -2.182 117.661 119.914 -0.118 0.000 2.495 118 V HA 0.355 4.476 4.120 0.001 0.000 0.298 118 V C 0.342 176.445 176.094 0.016 0.000 1.031 118 V CA -1.032 61.249 62.300 -0.031 0.000 0.871 118 V CB 2.144 33.961 31.823 -0.010 0.000 0.988 118 V HN 0.012 nan 8.190 nan 0.000 0.432 119 K N 3.354 123.778 120.400 0.039 0.000 2.148 119 K HA 0.273 4.593 4.320 0.001 0.000 0.204 119 K C 0.847 177.476 176.600 0.048 0.000 1.050 119 K CA 1.280 57.584 56.287 0.029 0.000 0.942 119 K CB 0.130 32.646 32.500 0.026 0.000 0.724 119 K HN 1.022 nan 8.250 nan 0.000 0.446 120 G N 0.768 109.658 108.800 0.151 0.000 2.742 120 G HA2 0.500 4.460 3.960 0.001 0.000 0.296 120 G HA3 0.500 4.460 3.960 0.001 0.000 0.296 120 G C -2.288 172.856 174.900 0.405 0.000 1.436 120 G CA -0.644 44.661 45.100 0.341 0.000 0.928 120 G HN -0.007 nan 8.290 nan 0.000 0.520 121 L N 0.925 122.498 121.223 0.583 0.000 2.476 121 L HA 0.757 5.097 4.340 0.001 0.000 0.269 121 L C -0.498 176.585 176.870 0.355 0.000 0.965 121 L CA -0.714 54.322 54.840 0.327 0.000 0.845 121 L CB 1.922 44.056 42.059 0.125 0.000 1.259 121 L HN 0.610 nan 8.230 nan 0.000 0.403 122 R N 4.520 125.248 120.500 0.379 0.000 2.439 122 R HA 0.520 4.861 4.340 0.001 0.000 0.310 122 R C -1.477 175.049 176.300 0.378 0.000 0.955 122 R CA -0.956 55.356 56.100 0.354 0.000 0.853 122 R CB 1.518 31.950 30.300 0.221 0.000 1.171 122 R HN 0.679 nan 8.270 nan 0.000 0.449 123 L N 5.091 126.538 121.223 0.374 0.000 2.407 123 L HA 0.150 4.491 4.340 0.001 0.000 0.282 123 L C 0.683 177.570 176.870 0.029 0.000 1.110 123 L CA 0.705 55.583 54.840 0.062 0.000 0.863 123 L CB 0.821 42.942 42.059 0.104 0.000 1.207 123 L HN 0.709 nan 8.230 nan 0.000 0.454 124 E N 2.334 122.511 120.200 -0.038 0.000 2.216 124 E HA 0.104 4.454 4.350 0.001 0.000 0.192 124 E C -0.189 176.428 176.600 0.030 0.000 0.973 124 E CA 0.379 56.776 56.400 -0.005 0.000 0.851 124 E CB 0.480 30.180 29.700 0.001 0.000 0.804 124 E HN 0.671 nan 8.360 nan 0.000 0.477 125 D N -0.715 119.675 120.400 -0.017 0.000 2.623 125 D HA 0.335 4.976 4.640 0.001 0.000 0.241 125 D C -1.926 174.344 176.300 -0.049 0.000 1.241 125 D CA -0.676 53.373 54.000 0.080 0.000 0.788 125 D CB 1.744 42.605 40.800 0.100 0.000 1.413 125 D HN -0.122 nan 8.370 nan 0.000 0.429 126 L N 3.388 124.571 121.223 -0.067 0.000 2.446 126 L HA 0.434 4.774 4.340 0.001 0.000 0.268 126 L C -1.845 174.865 176.870 -0.267 0.000 0.975 126 L CA -0.678 54.033 54.840 -0.215 0.000 0.848 126 L CB 1.163 42.979 42.059 -0.405 0.000 1.225 126 L HN 0.420 nan 8.230 nan 0.000 0.410 127 Y N 5.353 125.567 120.300 -0.144 0.000 2.327 127 Y HA 0.638 5.188 4.550 0.001 0.000 0.336 127 Y C -1.326 174.644 175.900 0.117 0.000 1.035 127 Y CA -0.352 57.711 58.100 -0.061 0.000 1.165 127 Y CB 0.682 39.183 38.460 0.068 0.000 1.181 127 Y HN 0.432 nan 8.280 nan 0.000 0.494 128 F N 8.028 127.450 119.950 -0.880 0.000 2.444 128 F HA 0.444 4.972 4.527 0.001 0.000 0.342 128 F C -2.118 173.107 175.800 -0.959 0.000 1.121 128 F CA -3.541 54.043 58.000 -0.693 0.000 0.997 128 F CB 1.148 39.913 39.000 -0.393 0.000 1.130 128 F HN 0.446 nan 8.300 nan 0.000 0.454 129 P HA 0.015 nan 4.420 nan 0.000 0.271 129 P C 0.765 177.993 177.300 -0.121 0.000 1.233 129 P CA -0.044 62.989 63.100 -0.111 0.000 0.789 129 P CB 1.065 32.811 31.700 0.078 0.000 0.951 130 E N 1.301 121.464 120.200 -0.063 0.000 2.130 130 E HA -0.261 4.090 4.350 0.001 0.000 0.196 130 E C 1.803 178.250 176.600 -0.255 0.000 0.998 130 E CA 1.429 57.714 56.400 -0.192 0.000 0.806 130 E CB -0.091 29.390 29.700 -0.366 0.000 0.738 130 E HN 0.358 nan 8.360 nan 0.000 0.459 131 K N -0.047 120.189 120.400 -0.274 0.000 2.103 131 K HA -0.185 4.135 4.320 0.001 0.000 0.207 131 K C 2.058 178.476 176.600 -0.304 0.000 1.048 131 K CA 1.074 57.150 56.287 -0.351 0.000 0.930 131 K CB 0.026 32.170 32.500 -0.593 0.000 0.716 131 K HN 0.108 nan 8.250 nan 0.000 0.444 132 L N 0.862 121.919 121.223 -0.277 0.000 2.131 132 L HA -0.092 4.248 4.340 0.001 0.000 0.206 132 L C 2.056 178.903 176.870 -0.037 0.000 1.087 132 L CA 0.804 55.486 54.840 -0.264 0.000 0.767 132 L CB -0.293 41.458 42.059 -0.515 0.000 0.917 132 L HN 0.176 nan 8.230 nan 0.000 0.441 133 I N -0.184 120.387 120.570 0.002 0.000 2.248 133 I HA -0.294 3.877 4.170 0.001 0.000 0.248 133 I C 2.203 178.398 176.117 0.130 0.000 1.107 133 I CA 1.459 62.834 61.300 0.125 0.000 1.373 133 I CB -0.967 37.078 38.000 0.075 0.000 1.055 133 I HN 0.325 nan 8.210 nan 0.000 0.418 134 R N 0.408 120.891 120.500 -0.028 0.000 2.313 134 R HA -0.033 4.307 4.340 0.001 0.000 0.199 134 R C 1.542 177.802 176.300 -0.067 0.000 0.958 134 R CA 0.161 56.229 56.100 -0.054 0.000 1.047 134 R CB -0.010 30.206 30.300 -0.140 0.000 0.955 134 R HN 0.480 nan 8.270 nan 0.000 0.481 135 E N -0.444 119.700 120.200 -0.093 0.000 2.442 135 E HA 0.023 4.373 4.350 0.001 0.000 0.195 135 E C -0.347 176.050 176.600 -0.339 0.000 1.030 135 E CA 0.365 56.615 56.400 -0.250 0.000 0.869 135 E CB 0.299 29.767 29.700 -0.387 0.000 0.857 135 E HN 0.080 nan 8.360 nan 0.000 0.505 136 F N -0.065 119.865 119.950 -0.034 0.000 2.450 136 F HA 0.205 4.733 4.527 0.001 0.000 0.328 136 F C 1.301 177.110 175.800 0.015 0.000 1.068 136 F CA -0.711 57.295 58.000 0.009 0.000 1.007 136 F CB 1.042 40.071 39.000 0.048 0.000 1.251 136 F HN -0.218 nan 8.300 nan 0.000 0.492 137 D N 0.068 120.607 120.400 0.232 0.000 2.423 137 D HA 0.226 4.866 4.640 0.001 0.000 0.212 137 D C 1.081 177.459 176.300 0.129 0.000 1.060 137 D CA 1.082 55.161 54.000 0.130 0.000 0.872 137 D CB 0.517 41.364 40.800 0.079 0.000 1.012 137 D HN 0.712 nan 8.370 nan 0.000 0.503 138 G N 1.782 110.681 108.800 0.165 0.000 2.796 138 G HA2 -0.219 3.742 3.960 0.001 0.000 0.226 138 G HA3 -0.219 3.742 3.960 0.001 0.000 0.226 138 G C -2.674 172.272 174.900 0.077 0.000 1.381 138 G CA -0.999 44.166 45.100 0.107 0.000 0.867 138 G HN -0.020 nan 8.290 nan 0.000 0.552 139 P HA 0.398 nan 4.420 nan 0.000 0.265 139 P C 0.809 178.144 177.300 0.058 0.000 1.193 139 P CA 0.889 64.026 63.100 0.062 0.000 0.765 139 P CB 0.915 32.639 31.700 0.041 0.000 0.823 140 A N 2.427 125.302 122.820 0.092 0.000 1.930 140 A HA -0.066 4.254 4.320 0.001 0.000 0.215 140 A C 1.406 178.910 177.584 -0.134 0.000 1.176 140 A CA 1.395 53.425 52.037 -0.011 0.000 0.632 140 A CB -1.098 17.909 19.000 0.011 0.000 0.819 140 A HN 0.516 nan 8.150 nan 0.000 0.445 141 F N -1.100 118.838 119.950 -0.020 0.000 2.399 141 F HA 0.408 4.936 4.527 0.001 0.000 0.282 141 F C 1.809 177.595 175.800 -0.022 0.000 1.027 141 F CA 0.663 58.653 58.000 -0.017 0.000 1.333 141 F CB -0.541 38.448 39.000 -0.019 0.000 1.132 141 F HN 0.456 nan 8.300 nan 0.000 0.590 142 G N 1.309 110.222 108.800 0.188 0.000 2.692 142 G HA2 -0.297 3.663 3.960 0.001 0.000 0.248 142 G HA3 -0.297 3.663 3.960 0.001 0.000 0.248 142 G C 0.705 175.605 174.900 -0.000 0.000 1.340 142 G CA -0.007 45.121 45.100 0.047 0.000 0.896 142 G HN 0.255 nan 8.290 nan 0.000 0.570 143 I N 0.562 120.999 120.570 -0.222 0.000 2.127 143 I HA -0.101 4.070 4.170 0.001 0.000 0.241 143 I C 3.370 179.360 176.117 -0.212 0.000 1.075 143 I CA 2.961 63.931 61.300 -0.549 0.000 1.334 143 I CB -0.954 36.573 38.000 -0.789 0.000 1.040 143 I HN 0.931 nan 8.210 nan 0.000 0.405 144 E N 1.167 121.296 120.200 -0.119 0.000 2.058 144 E HA -0.200 4.150 4.350 0.001 0.000 0.194 144 E C 2.322 178.955 176.600 0.055 0.000 0.997 144 E CA 1.641 58.022 56.400 -0.031 0.000 0.801 144 E CB -1.716 27.965 29.700 -0.032 0.000 0.746 144 E HN 0.650 nan 8.360 nan 0.000 0.450 145 G N -0.023 108.837 108.800 0.100 0.000 2.422 145 G HA2 -0.103 3.858 3.960 0.001 0.000 0.218 145 G HA3 -0.103 3.858 3.960 0.001 0.000 0.218 145 G C 1.946 177.029 174.900 0.305 0.000 1.146 145 G CA 1.317 46.549 45.100 0.220 0.000 0.769 145 G HN 0.472 nan 8.290 nan 0.000 0.547 146 V N 0.392 120.473 119.914 0.278 0.000 2.453 146 V HA -0.082 4.038 4.120 0.001 0.000 0.247 146 V C 2.874 179.141 176.094 0.288 0.000 1.048 146 V CA 1.588 64.064 62.300 0.295 0.000 1.049 146 V CB -0.398 31.686 31.823 0.435 0.000 0.672 146 V HN 0.290 nan 8.190 nan 0.000 0.457 147 R N 0.069 120.730 120.500 0.268 0.000 2.092 147 R HA -0.160 4.180 4.340 0.001 0.000 0.231 147 R C 2.434 178.826 176.300 0.153 0.000 1.119 147 R CA 1.475 57.705 56.100 0.216 0.000 0.970 147 R CB -0.276 30.121 30.300 0.161 0.000 0.864 147 R HN 0.452 nan 8.270 nan 0.000 0.440 148 K N 0.975 121.458 120.400 0.138 0.000 2.025 148 K HA -0.129 4.191 4.320 0.001 0.000 0.207 148 K C 2.174 178.851 176.600 0.127 0.000 1.049 148 K CA 1.243 57.598 56.287 0.114 0.000 0.933 148 K CB -0.054 32.506 32.500 0.100 0.000 0.714 148 K HN 0.079 nan 8.250 nan 0.000 0.438 149 M N 0.774 120.471 119.600 0.163 0.000 2.080 149 M HA -0.185 4.296 4.480 0.001 0.000 0.260 149 M C 1.461 177.839 176.300 0.131 0.000 1.068 149 M CA 1.705 57.096 55.300 0.151 0.000 1.109 149 M CB -0.001 32.688 32.600 0.147 0.000 1.342 149 M HN 0.190 nan 8.290 nan 0.000 0.405 150 L N -0.216 121.094 121.223 0.145 0.000 2.567 150 L HA 0.118 4.459 4.340 0.001 0.000 0.225 150 L C 0.144 177.076 176.870 0.103 0.000 1.119 150 L CA 0.024 54.941 54.840 0.127 0.000 0.871 150 L CB -0.223 41.924 42.059 0.147 0.000 1.036 150 L HN 0.352 nan 8.230 nan 0.000 0.459 151 E N 0.979 121.240 120.200 0.102 0.000 2.297 151 E HA -0.219 4.132 4.350 0.001 0.000 0.228 151 E C -0.352 176.296 176.600 0.080 0.000 1.213 151 E CA 0.296 56.745 56.400 0.082 0.000 0.712 151 E CB -1.452 28.287 29.700 0.065 0.000 1.202 151 E HN 0.482 nan 8.360 nan 0.000 0.376 152 I N 0.565 121.196 120.570 0.100 0.000 2.382 152 I HA 0.160 4.331 4.170 0.001 0.000 0.285 152 I C 1.280 177.459 176.117 0.104 0.000 1.007 152 I CA -0.548 60.810 61.300 0.098 0.000 1.142 152 I CB 1.393 39.460 38.000 0.112 0.000 1.289 152 I HN 0.009 nan 8.210 nan 0.000 0.453 153 K N 3.841 124.288 120.400 0.077 0.000 2.067 153 K HA -0.038 4.282 4.320 0.001 0.000 0.203 153 K C 0.634 177.274 176.600 0.067 0.000 1.048 153 K CA 1.387 57.714 56.287 0.066 0.000 0.954 153 K CB 0.439 32.968 32.500 0.047 0.000 0.737 153 K HN 0.630 nan 8.250 nan 0.000 0.444 154 D N -0.448 119.990 120.400 0.063 0.000 3.099 154 D HA -0.010 4.631 4.640 0.001 0.000 0.291 154 D C 0.126 176.465 176.300 0.065 0.000 1.209 154 D CA -0.020 54.014 54.000 0.055 0.000 1.032 154 D CB 0.094 40.914 40.800 0.033 0.000 1.324 154 D HN 0.184 nan 8.370 nan 0.000 0.440 155 R N 2.814 123.345 120.500 0.052 0.000 2.756 155 R HA 0.176 4.517 4.340 0.001 0.000 0.264 155 R C -2.426 173.919 176.300 0.074 0.000 1.026 155 R CA -0.775 55.350 56.100 0.042 0.000 1.121 155 R CB -0.804 29.509 30.300 0.021 0.000 0.999 155 R HN -0.076 nan 8.270 nan 0.000 0.449 156 P HA -0.045 nan 4.420 nan 0.000 0.269 156 P C -0.164 177.171 177.300 0.059 0.000 1.217 156 P CA -0.028 63.114 63.100 0.069 0.000 0.783 156 P CB 0.344 32.065 31.700 0.034 0.000 0.898 157 I N 1.325 121.899 120.570 0.006 0.000 2.519 157 I HA 0.153 4.323 4.170 0.001 0.000 0.287 157 I C 0.210 176.403 176.117 0.126 0.000 1.047 157 I CA -0.295 61.022 61.300 0.029 0.000 1.381 157 I CB -0.395 37.542 38.000 -0.105 0.000 1.417 157 I HN 0.406 nan 8.210 nan 0.000 0.540 158 Y N 4.369 124.648 120.300 -0.035 0.000 2.361 158 Y HA 0.746 5.296 4.550 0.001 0.000 0.337 158 Y C -0.296 175.264 175.900 -0.566 0.000 0.965 158 Y CA -0.887 57.112 58.100 -0.168 0.000 1.091 158 Y CB 1.674 40.036 38.460 -0.163 0.000 1.182 158 Y HN 0.658 nan 8.280 nan 0.000 0.450 159 G N 3.027 110.950 108.800 -1.461 0.000 2.725 159 G HA2 0.645 4.605 3.960 0.001 0.000 0.288 159 G HA3 0.645 4.605 3.960 0.001 0.000 0.288 159 G C -2.305 171.800 174.900 -1.324 0.000 1.399 159 G CA -1.006 42.411 45.100 -2.806 0.000 0.859 159 G HN 0.622 nan 8.290 nan 0.000 0.479 160 V N 0.042 119.402 119.914 -0.923 0.000 2.686 160 V HA 0.464 4.585 4.120 0.001 0.000 0.306 160 V C -0.402 175.623 176.094 -0.114 0.000 1.065 160 V CA -0.730 61.354 62.300 -0.359 0.000 0.894 160 V CB 1.761 33.395 31.823 -0.314 0.000 1.004 160 V HN 0.596 nan 8.190 nan 0.000 0.424 161 V N 6.749 126.667 119.914 0.006 0.000 2.364 161 V HA 0.328 4.448 4.120 0.001 0.000 0.272 161 V C -2.196 173.930 176.094 0.054 0.000 1.036 161 V CA -1.923 60.425 62.300 0.081 0.000 0.880 161 V CB 1.537 33.436 31.823 0.126 0.000 0.991 161 V HN 0.731 nan 8.190 nan 0.000 0.460 162 P HA 0.112 nan 4.420 nan 0.000 0.264 162 P C -0.637 176.667 177.300 0.007 0.000 1.183 162 P CA 0.190 63.260 63.100 -0.049 0.000 0.763 162 P CB 0.377 31.933 31.700 -0.242 0.000 0.807 163 K N 3.457 123.848 120.400 -0.014 0.000 2.378 163 K HA 0.440 4.760 4.320 0.001 0.000 0.252 163 K C -2.313 174.302 176.600 0.025 0.000 0.931 163 K CA -1.968 54.344 56.287 0.043 0.000 0.794 163 K CB 0.949 33.479 32.500 0.050 0.000 1.181 163 K HN 0.334 nan 8.250 nan 0.000 0.425 164 P HA 0.118 nan 4.420 nan 0.000 0.268 164 P C 0.333 177.753 177.300 0.201 0.000 1.208 164 P CA -0.162 63.008 63.100 0.117 0.000 0.777 164 P CB 0.940 32.703 31.700 0.105 0.000 0.875 165 K N 0.180 120.665 120.400 0.143 0.000 2.034 165 K HA -0.094 4.227 4.320 0.001 0.000 0.214 165 K C 1.150 177.852 176.600 0.169 0.000 1.051 165 K CA 1.761 58.136 56.287 0.147 0.000 0.931 165 K CB -0.417 32.127 32.500 0.073 0.000 0.715 165 K HN 0.538 nan 8.250 nan 0.000 0.446 166 V N -6.180 113.777 119.914 0.070 0.000 3.167 166 V HA 0.779 4.900 4.120 0.001 0.000 0.310 166 V C 0.484 176.477 176.094 -0.170 0.000 1.207 166 V CA -0.389 61.861 62.300 -0.084 0.000 1.059 166 V CB 1.429 33.240 31.823 -0.020 0.000 1.079 166 V HN 0.405 nan 8.190 nan 0.000 0.446 167 G N -0.073 108.440 108.800 -0.478 0.000 2.179 167 G HA2 -0.148 3.812 3.960 0.001 0.000 0.220 167 G HA3 -0.148 3.812 3.960 0.001 0.000 0.220 167 G C -0.366 174.375 174.900 -0.265 0.000 0.990 167 G CA 0.373 45.143 45.100 -0.551 0.000 0.646 167 G HN 2.264 nan 8.290 nan 0.000 0.517 168 Y N 1.191 121.420 120.300 -0.118 0.000 2.487 168 Y HA 0.835 5.385 4.550 0.001 0.000 0.337 168 Y C 0.402 176.318 175.900 0.026 0.000 1.076 168 Y CA -1.153 56.929 58.100 -0.030 0.000 1.115 168 Y CB 1.152 39.622 38.460 0.016 0.000 1.235 168 Y HN 0.516 nan 8.280 nan 0.000 0.468 169 S N 0.748 116.570 115.700 0.204 0.000 2.693 169 S HA 0.445 4.915 4.470 0.001 0.000 0.276 169 S C -2.214 172.516 174.600 0.216 0.000 1.192 169 S CA -1.375 56.901 58.200 0.127 0.000 0.994 169 S CB 1.606 64.867 63.200 0.102 0.000 1.012 169 S HN 0.574 nan 8.310 nan 0.000 0.550 170 P HA -0.034 nan 4.420 nan 0.000 0.217 170 P C 0.809 178.213 177.300 0.173 0.000 1.150 170 P CA 1.173 64.367 63.100 0.156 0.000 0.832 170 P CB -0.007 31.721 31.700 0.048 0.000 0.787 171 E N -0.328 119.936 120.200 0.107 0.000 2.107 171 E HA -0.134 4.216 4.350 0.001 0.000 0.191 171 E C 1.904 178.541 176.600 0.060 0.000 0.982 171 E CA 0.956 57.391 56.400 0.059 0.000 0.809 171 E CB -0.644 29.078 29.700 0.038 0.000 0.756 171 E HN 0.380 nan 8.360 nan 0.000 0.459 172 E N -0.060 120.206 120.200 0.111 0.000 2.072 172 E HA -0.159 4.191 4.350 0.001 0.000 0.191 172 E C 1.668 178.320 176.600 0.086 0.000 0.985 172 E CA 0.831 57.288 56.400 0.095 0.000 0.801 172 E CB -0.194 29.587 29.700 0.135 0.000 0.750 172 E HN 0.213 nan 8.360 nan 0.000 0.452 173 F N 2.206 122.166 119.950 0.016 0.000 2.171 173 F HA -0.190 4.338 4.527 0.001 0.000 0.300 173 F C 2.168 177.911 175.800 -0.095 0.000 1.090 173 F CA 1.742 59.706 58.000 -0.060 0.000 1.293 173 F CB -0.104 38.939 39.000 0.072 0.000 1.013 173 F HN -0.047 nan 8.300 nan 0.000 0.486 174 E N 0.216 120.286 120.200 -0.216 0.000 2.058 174 E HA -0.271 4.080 4.350 0.001 0.000 0.194 174 E C 2.332 178.767 176.600 -0.276 0.000 0.997 174 E CA 1.337 57.544 56.400 -0.322 0.000 0.801 174 E CB -0.216 29.392 29.700 -0.154 0.000 0.746 174 E HN 0.181 nan 8.360 nan 0.000 0.450 175 K N 0.650 120.949 120.400 -0.168 0.000 2.025 175 K HA -0.155 4.165 4.320 0.001 0.000 0.207 175 K C 2.325 178.858 176.600 -0.112 0.000 1.049 175 K CA 0.911 57.139 56.287 -0.098 0.000 0.933 175 K CB -0.547 31.914 32.500 -0.064 0.000 0.714 175 K HN 0.215 nan 8.250 nan 0.000 0.438 176 L N 1.157 122.271 121.223 -0.182 0.000 1.989 176 L HA -0.155 4.185 4.340 0.001 0.000 0.211 176 L C 2.299 179.005 176.870 -0.274 0.000 1.071 176 L CA 2.344 57.065 54.840 -0.199 0.000 0.749 176 L CB -0.888 41.051 42.059 -0.200 0.000 0.890 176 L HN 0.197 nan 8.230 nan 0.000 0.431 177 A N -1.458 121.072 122.820 -0.483 0.000 1.908 177 A HA -0.314 4.006 4.320 0.001 0.000 0.218 177 A C 2.318 179.725 177.584 -0.294 0.000 1.181 177 A CA 2.003 53.731 52.037 -0.515 0.000 0.627 177 A CB -1.298 17.137 19.000 -0.941 0.000 0.818 177 A HN 0.669 nan 8.150 nan 0.000 0.445 178 Y N 1.159 121.263 120.300 -0.327 0.000 2.145 178 Y HA -0.218 4.332 4.550 0.001 0.000 0.286 178 Y C 1.889 177.684 175.900 -0.174 0.000 1.145 178 Y CA 2.047 60.014 58.100 -0.223 0.000 1.148 178 Y CB -0.247 38.100 38.460 -0.188 0.000 0.981 178 Y HN 0.355 nan 8.280 nan 0.000 0.507 179 D N 0.147 120.429 120.400 -0.196 0.000 2.117 179 D HA -0.178 4.462 4.640 0.001 0.000 0.197 179 D C 2.337 178.484 176.300 -0.254 0.000 0.987 179 D CA 1.643 55.503 54.000 -0.234 0.000 0.829 179 D CB -0.414 40.323 40.800 -0.104 0.000 0.961 179 D HN 0.405 nan 8.370 nan 0.000 0.460 180 L N 0.196 121.282 121.223 -0.228 0.000 2.027 180 L HA -0.085 4.256 4.340 0.001 0.000 0.206 180 L C 2.563 179.288 176.870 -0.241 0.000 1.074 180 L CA 0.596 55.310 54.840 -0.211 0.000 0.745 180 L CB -0.320 41.608 42.059 -0.218 0.000 0.898 180 L HN 0.031 nan 8.230 nan 0.000 0.433 181 L N -1.006 120.052 121.223 -0.275 0.000 2.141 181 L HA -0.157 4.184 4.340 0.001 0.000 0.209 181 L C 2.609 179.329 176.870 -0.251 0.000 1.094 181 L CA 0.903 55.591 54.840 -0.254 0.000 0.763 181 L CB -0.428 41.496 42.059 -0.225 0.000 0.908 181 L HN 0.200 nan 8.230 nan 0.000 0.437 182 S N -0.369 115.118 115.700 -0.355 0.000 2.428 182 S HA -0.048 4.422 4.470 0.001 0.000 0.230 182 S C 1.326 175.795 174.600 -0.218 0.000 1.014 182 S CA 0.769 58.757 58.200 -0.354 0.000 0.957 182 S CB -0.128 62.712 63.200 -0.600 0.000 0.784 182 S HN 0.434 nan 8.310 nan 0.000 0.499 183 N N 0.084 118.672 118.700 -0.187 0.000 2.273 183 N HA 0.246 4.987 4.740 0.001 0.000 0.231 183 N C 0.908 176.382 175.510 -0.060 0.000 1.134 183 N CA 0.600 53.581 53.050 -0.115 0.000 0.856 183 N CB 1.272 39.691 38.487 -0.112 0.000 1.068 183 N HN 0.501 nan 8.380 nan 0.000 0.510 184 G N 0.087 108.852 108.800 -0.059 0.000 2.545 184 G HA2 -0.184 3.777 3.960 0.001 0.000 0.195 184 G HA3 -0.184 3.777 3.960 0.001 0.000 0.195 184 G C 0.236 175.152 174.900 0.027 0.000 1.009 184 G CA -0.085 45.021 45.100 0.011 0.000 0.703 184 G HN 0.470 nan 8.290 nan 0.000 0.479 185 A N 0.860 123.617 122.820 -0.105 0.000 2.511 185 A HA 0.501 4.821 4.320 0.001 0.000 0.242 185 A C 1.097 178.461 177.584 -0.367 0.000 1.069 185 A CA 1.010 52.772 52.037 -0.458 0.000 0.763 185 A CB 0.239 18.870 19.000 -0.614 0.000 1.001 185 A HN 0.214 nan 8.150 nan 0.000 0.498 186 D N -0.191 119.950 120.400 -0.431 0.000 2.249 186 D HA 0.117 4.758 4.640 0.001 0.000 0.205 186 D C -0.075 176.121 176.300 -0.174 0.000 0.962 186 D CA 1.740 55.621 54.000 -0.198 0.000 0.860 186 D CB 0.056 40.827 40.800 -0.048 0.000 0.955 186 D HN 0.716 nan 8.370 nan 0.000 0.505 187 Y N -2.021 118.027 120.300 -0.420 0.000 2.624 187 Y HA 0.514 5.065 4.550 0.001 0.000 0.334 187 Y C -0.865 174.763 175.900 -0.453 0.000 1.155 187 Y CA -1.444 56.370 58.100 -0.477 0.000 1.046 187 Y CB 0.632 38.580 38.460 -0.852 0.000 1.316 187 Y HN -0.401 nan 8.280 nan 0.000 0.457 191 D N 1.172 121.616 120.400 0.074 0.000 2.400 191 D HA -0.020 4.620 4.640 0.001 0.000 0.238 191 D C 1.535 177.769 176.300 -0.109 0.000 1.157 191 D CA 0.069 54.075 54.000 0.010 0.000 0.889 191 D CB 1.017 41.843 40.800 0.043 0.000 1.199 191 D HN 0.379 nan 8.370 nan 0.000 0.436 192 E N 2.242 122.266 120.200 -0.294 0.000 2.267 192 E HA -0.235 4.116 4.350 0.001 0.000 0.197 192 E C 0.617 177.084 176.600 -0.223 0.000 0.998 192 E CA 1.021 57.143 56.400 -0.463 0.000 0.830 192 E CB -0.283 28.816 29.700 -1.002 0.000 0.751 192 E HN 0.504 nan 8.360 nan 0.000 0.491 193 N N 0.850 119.471 118.700 -0.132 0.000 2.236 193 N HA 0.013 4.753 4.740 0.001 0.000 0.196 193 N C 0.198 175.675 175.510 -0.055 0.000 1.114 193 N CA -0.334 52.671 53.050 -0.075 0.000 0.859 193 N CB -0.174 38.287 38.487 -0.042 0.000 0.982 193 N HN 0.098 nan 8.380 nan 0.000 0.493 194 L N 2.308 123.497 121.223 -0.057 0.000 2.283 194 L HA 0.334 4.674 4.340 0.001 0.000 0.287 194 L C 0.812 177.652 176.870 -0.050 0.000 1.073 194 L CA 0.116 54.918 54.840 -0.063 0.000 0.822 194 L CB 0.570 42.597 42.059 -0.053 0.000 1.186 194 L HN 0.280 nan 8.230 nan 0.000 0.436 195 T N -0.141 114.368 114.554 -0.075 0.000 2.090 195 T HA 0.277 4.627 4.350 0.001 0.000 0.179 195 T C 0.477 175.161 174.700 -0.026 0.000 0.687 195 T CA 0.207 62.282 62.100 -0.042 0.000 1.523 195 T CB 0.200 69.027 68.868 -0.068 0.000 3.135 195 T HN 0.316 nan 8.240 nan 0.000 0.403 196 S N 2.892 118.545 115.700 -0.078 0.000 2.399 196 S HA 0.432 4.902 4.470 0.001 0.000 0.198 196 S C -2.649 171.848 174.600 -0.172 0.000 1.294 196 S CA -1.265 56.890 58.200 -0.075 0.000 1.237 196 S CB -0.120 63.090 63.200 0.017 0.000 1.286 196 S HN 0.507 nan 8.310 nan 0.000 0.404 197 P HA 0.141 nan 4.420 nan 0.000 0.275 197 P C 1.555 178.555 177.300 -0.499 0.000 1.266 197 P CA -0.634 62.170 63.100 -0.493 0.000 0.793 197 P CB 0.259 31.345 31.700 -1.022 0.000 1.074 198 W N 1.483 122.613 121.300 -0.282 0.000 2.338 198 W HA -0.238 4.422 4.660 0.001 0.000 0.304 198 W C 1.632 178.080 176.519 -0.119 0.000 1.212 198 W CA 1.350 58.618 57.345 -0.129 0.000 1.264 198 W CB -2.127 27.328 29.460 -0.009 0.000 1.142 198 W HN 0.389 nan 8.180 nan 0.000 0.512 199 Y N 0.273 119.977 120.300 -0.994 0.000 2.583 199 Y HA 0.300 4.850 4.550 0.001 0.000 0.293 199 Y C 0.669 176.297 175.900 -0.453 0.000 1.157 199 Y CA 0.678 58.230 58.100 -0.914 0.000 1.315 199 Y CB -0.983 36.580 38.460 -1.496 0.000 1.021 199 Y HN -0.103 nan 8.280 nan 0.000 0.536 200 N N 1.261 119.581 118.700 -0.634 0.000 2.839 200 N HA 0.096 4.836 4.740 0.001 0.000 0.230 200 N C -1.404 173.928 175.510 -0.297 0.000 1.388 200 N CA -0.268 52.552 53.050 -0.383 0.000 0.747 200 N CB 0.613 38.849 38.487 -0.419 0.000 1.411 200 N HN 0.059 nan 8.380 nan 0.000 0.556 201 R N 1.292 121.699 120.500 -0.156 0.000 2.590 201 R HA 0.068 4.408 4.340 0.001 0.000 0.274 201 R C 1.321 177.633 176.300 0.020 0.000 1.061 201 R CA -0.283 55.788 56.100 -0.049 0.000 1.081 201 R CB 0.121 30.423 30.300 0.003 0.000 0.984 201 R HN 0.459 nan 8.270 nan 0.000 0.448 202 F N 3.430 123.353 119.950 -0.044 0.000 2.095 202 F HA -0.259 4.269 4.527 0.001 0.000 0.298 202 F C 2.266 178.113 175.800 0.079 0.000 1.104 202 F CA 2.111 60.131 58.000 0.034 0.000 1.232 202 F CB 0.140 39.154 39.000 0.023 0.000 0.987 202 F HN 0.624 nan 8.300 nan 0.000 0.475 203 E N 0.409 120.756 120.200 0.244 0.000 2.153 203 E HA -0.240 4.111 4.350 0.001 0.000 0.194 203 E C 1.748 178.355 176.600 0.011 0.000 0.988 203 E CA 1.710 58.197 56.400 0.144 0.000 0.811 203 E CB -0.906 28.882 29.700 0.148 0.000 0.746 203 E HN 0.628 nan 8.360 nan 0.000 0.466 204 E N 1.089 121.284 120.200 -0.009 0.000 2.046 204 E HA -0.148 4.202 4.350 0.001 0.000 0.190 204 E C 2.404 178.949 176.600 -0.092 0.000 0.982 204 E CA 1.403 57.781 56.400 -0.036 0.000 0.800 204 E CB -0.209 29.479 29.700 -0.020 0.000 0.756 204 E HN 0.409 nan 8.360 nan 0.000 0.449 205 R N 0.893 121.300 120.500 -0.155 0.000 2.189 205 R HA 0.106 4.447 4.340 0.001 0.000 0.218 205 R C 2.192 178.199 176.300 -0.487 0.000 1.074 205 R CA 0.979 56.927 56.100 -0.254 0.000 0.991 205 R CB -0.250 29.846 30.300 -0.340 0.000 0.883 205 R HN 0.028 nan 8.270 nan 0.000 0.457 206 A N 2.160 124.754 122.820 -0.378 0.000 1.877 206 A HA -0.175 4.145 4.320 0.001 0.000 0.216 206 A C 1.946 179.443 177.584 -0.144 0.000 1.186 206 A CA 1.555 53.451 52.037 -0.235 0.000 0.620 206 A CB -0.385 18.585 19.000 -0.049 0.000 0.822 206 A HN 0.506 nan 8.150 nan 0.000 0.443 207 E N -0.332 119.811 120.200 -0.096 0.000 2.110 207 E HA -0.153 4.198 4.350 0.001 0.000 0.193 207 E C 1.880 178.425 176.600 -0.092 0.000 0.988 207 E CA 1.216 57.580 56.400 -0.060 0.000 0.804 207 E CB -0.305 29.374 29.700 -0.035 0.000 0.745 207 E HN 0.694 nan 8.360 nan 0.000 0.458 208 I N 0.561 121.054 120.570 -0.129 0.000 2.226 208 I HA -0.263 3.908 4.170 0.001 0.000 0.245 208 I C 2.357 178.362 176.117 -0.186 0.000 1.100 208 I CA 0.760 61.978 61.300 -0.136 0.000 1.374 208 I CB -0.113 37.824 38.000 -0.105 0.000 1.057 208 I HN 0.181 nan 8.210 nan 0.000 0.413 209 M N 0.239 119.664 119.600 -0.291 0.000 2.175 209 M HA -0.119 4.361 4.480 0.001 0.000 0.264 209 M C 2.588 178.813 176.300 -0.124 0.000 1.063 209 M CA 1.730 56.843 55.300 -0.312 0.000 1.119 209 M CB -1.398 30.806 32.600 -0.659 0.000 1.377 209 M HN 0.282 nan 8.290 nan 0.000 0.415 210 A N 0.888 123.665 122.820 -0.071 0.000 1.865 210 A HA -0.227 4.093 4.320 0.001 0.000 0.217 210 A C 2.537 180.109 177.584 -0.019 0.000 1.191 210 A CA 3.331 55.366 52.037 -0.003 0.000 0.623 210 A CB -1.151 17.855 19.000 0.010 0.000 0.826 210 A HN 0.469 nan 8.150 nan 0.000 0.444 211 K N -0.274 120.100 120.400 -0.044 0.000 2.002 211 K HA -0.061 4.260 4.320 0.001 0.000 0.209 211 K C 1.819 178.392 176.600 -0.045 0.000 1.048 211 K CA 1.704 57.965 56.287 -0.044 0.000 0.930 211 K CB -1.072 31.391 32.500 -0.061 0.000 0.714 211 K HN 0.406 nan 8.250 nan 0.000 0.438 212 I N 1.094 121.622 120.570 -0.071 0.000 2.163 212 I HA -0.208 3.963 4.170 0.001 0.000 0.243 212 I C 2.564 178.678 176.117 -0.005 0.000 1.085 212 I CA 1.244 62.517 61.300 -0.046 0.000 1.347 212 I CB -0.925 37.007 38.000 -0.114 0.000 1.044 212 I HN 0.292 nan 8.210 nan 0.000 0.408 213 I N 0.641 121.199 120.570 -0.020 0.000 2.163 213 I HA -0.326 3.845 4.170 0.001 0.000 0.243 213 I C 2.208 178.336 176.117 0.020 0.000 1.085 213 I CA 1.488 62.792 61.300 0.007 0.000 1.347 213 I CB -0.435 37.587 38.000 0.036 0.000 1.044 213 I HN 0.199 nan 8.210 nan 0.000 0.408 214 D N 0.747 121.158 120.400 0.018 0.000 2.123 214 D HA -0.227 4.413 4.640 0.001 0.000 0.196 214 D C 2.074 178.388 176.300 0.024 0.000 0.992 214 D CA 1.285 55.297 54.000 0.020 0.000 0.833 214 D CB -0.218 40.590 40.800 0.013 0.000 0.954 214 D HN 0.283 nan 8.370 nan 0.000 0.455 215 K N 0.652 121.068 120.400 0.027 0.000 2.026 215 K HA -0.102 4.219 4.320 0.001 0.000 0.208 215 K C 2.002 178.654 176.600 0.085 0.000 1.048 215 K CA 0.893 57.209 56.287 0.050 0.000 0.929 215 K CB -0.015 32.511 32.500 0.042 0.000 0.713 215 K HN -0.070 nan 8.250 nan 0.000 0.439 216 V N 1.814 121.780 119.914 0.087 0.000 2.343 216 V HA -0.213 3.908 4.120 0.001 0.000 0.247 216 V C 2.040 178.136 176.094 0.004 0.000 1.051 216 V CA 1.949 64.268 62.300 0.031 0.000 1.036 216 V CB -0.443 31.355 31.823 -0.042 0.000 0.654 216 V HN 0.395 nan 8.190 nan 0.000 0.451 217 E N 0.288 120.495 120.200 0.012 0.000 2.077 217 E HA -0.259 4.091 4.350 0.001 0.000 0.193 217 E C 2.109 178.718 176.600 0.016 0.000 0.989 217 E CA 1.506 57.913 56.400 0.012 0.000 0.800 217 E CB -0.268 29.445 29.700 0.022 0.000 0.746 217 E HN 0.625 nan 8.360 nan 0.000 0.452 218 N N 1.037 119.750 118.700 0.021 0.000 2.166 218 N HA -0.184 4.556 4.740 0.001 0.000 0.186 218 N C 1.459 176.980 175.510 0.019 0.000 1.019 218 N CA 1.405 54.467 53.050 0.020 0.000 0.856 218 N CB 0.136 38.636 38.487 0.021 0.000 0.993 218 N HN 0.179 nan 8.380 nan 0.000 0.426 219 E N -1.535 118.680 120.200 0.025 0.000 2.112 219 E HA -0.059 4.292 4.350 0.001 0.000 0.190 219 E C 1.540 178.143 176.600 0.004 0.000 0.979 219 E CA 1.492 57.906 56.400 0.023 0.000 0.814 219 E CB 0.012 29.742 29.700 0.049 0.000 0.762 219 E HN 0.609 nan 8.360 nan 0.000 0.460 220 T N -3.589 110.962 114.554 -0.006 0.000 3.015 220 T HA 0.256 4.606 4.350 0.001 0.000 0.250 220 T C 1.696 176.393 174.700 -0.005 0.000 1.057 220 T CA 0.619 62.709 62.100 -0.017 0.000 1.066 220 T CB 0.699 69.544 68.868 -0.040 0.000 0.959 220 T HN 0.252 nan 8.240 nan 0.000 0.488 221 G N 1.540 110.341 108.800 0.003 0.000 2.184 221 G HA2 -0.234 3.727 3.960 0.001 0.000 0.264 221 G HA3 -0.234 3.727 3.960 0.001 0.000 0.264 221 G C -0.072 174.835 174.900 0.012 0.000 0.975 221 G CA 0.335 45.441 45.100 0.010 0.000 0.642 221 G HN 0.658 nan 8.290 nan 0.000 0.536 222 E N 0.660 120.862 120.200 0.004 0.000 2.349 222 E HA 0.382 4.733 4.350 0.001 0.000 0.265 222 E C 0.146 176.754 176.600 0.014 0.000 1.064 222 E CA -0.376 56.028 56.400 0.007 0.000 0.886 222 E CB 0.815 30.510 29.700 -0.008 0.000 1.036 222 E HN 0.098 nan 8.360 nan 0.000 0.413 223 K N 2.157 122.573 120.400 0.028 0.000 2.205 223 K HA 0.315 4.636 4.320 0.001 0.000 0.279 223 K C 0.058 176.680 176.600 0.037 0.000 1.027 223 K CA -0.464 55.848 56.287 0.042 0.000 0.932 223 K CB 0.932 33.470 32.500 0.063 0.000 1.032 223 K HN 0.262 nan 8.250 nan 0.000 0.466 224 K N 0.710 121.135 120.400 0.043 0.000 2.400 224 K HA 0.550 4.870 4.320 0.001 0.000 0.246 224 K C -0.078 176.575 176.600 0.088 0.000 0.995 224 K CA -0.693 55.615 56.287 0.035 0.000 0.840 224 K CB 2.209 34.707 32.500 -0.004 0.000 1.293 224 K HN 0.656 nan 8.250 nan 0.000 0.445 225 T N -0.752 113.859 114.554 0.096 0.000 2.731 225 T HA 0.625 4.975 4.350 0.001 0.000 0.300 225 T C -2.120 172.691 174.700 0.184 0.000 1.283 225 T CA -0.583 61.625 62.100 0.180 0.000 1.005 225 T CB 0.881 69.917 68.868 0.280 0.000 1.420 225 T HN 0.541 nan 8.240 nan 0.000 0.503 226 W N 2.682 123.994 121.300 0.020 0.000 3.211 226 W HA 0.642 5.302 4.660 0.001 0.000 0.335 226 W C -2.265 174.336 176.519 0.138 0.000 1.113 226 W CA -1.808 55.528 57.345 -0.016 0.000 1.235 226 W CB 0.881 30.369 29.460 0.046 0.000 1.365 226 W HN 0.418 nan 8.180 nan 0.000 0.476 227 F N 5.875 125.564 119.950 -0.434 0.000 2.509 227 F HA 0.513 5.041 4.527 0.001 0.000 0.350 227 F C 0.882 176.150 175.800 -0.887 0.000 1.220 227 F CA -1.361 56.282 58.000 -0.594 0.000 1.151 227 F CB -0.485 38.184 39.000 -0.551 0.000 1.379 227 F HN 0.454 nan 8.300 nan 0.000 0.610 228 A N 3.168 125.389 122.820 -0.998 0.000 2.302 228 A HA 0.306 4.626 4.320 0.001 0.000 0.295 228 A C 0.385 177.819 177.584 -0.249 0.000 1.235 228 A CA -0.623 50.693 52.037 -1.201 0.000 0.876 228 A CB -0.037 17.855 19.000 -1.846 0.000 1.133 228 A HN 0.539 nan 8.150 nan 0.000 0.533 229 N N 2.761 121.439 118.700 -0.037 0.000 2.399 229 N HA 0.102 4.843 4.740 0.001 0.000 0.259 229 N C 0.803 176.364 175.510 0.085 0.000 1.160 229 N CA -0.334 52.734 53.050 0.031 0.000 0.946 229 N CB 0.241 38.732 38.487 0.008 0.000 1.156 229 N HN 0.638 nan 8.380 nan 0.000 0.489 230 I N -0.209 120.312 120.570 -0.081 0.000 3.793 230 I HA 0.180 4.350 4.170 0.001 0.000 0.315 230 I C 0.036 176.016 176.117 -0.228 0.000 1.275 230 I CA -0.217 60.894 61.300 -0.314 0.000 1.214 230 I CB -0.408 37.416 38.000 -0.294 0.000 1.018 230 I HN 0.112 nan 8.210 nan 0.000 0.439 231 T N 3.541 118.012 114.554 -0.137 0.000 2.800 231 T HA 0.373 4.723 4.350 0.001 0.000 0.283 231 T C 0.186 174.822 174.700 -0.108 0.000 0.999 231 T CA 0.841 62.874 62.100 -0.112 0.000 1.176 231 T CB 0.203 69.014 68.868 -0.096 0.000 0.973 231 T HN 0.722 nan 8.240 nan 0.000 0.519 232 A N 3.663 126.428 122.820 -0.091 0.000 2.428 232 A HA 0.493 4.813 4.320 0.001 0.000 0.304 232 A C -1.272 176.282 177.584 -0.051 0.000 1.085 232 A CA -0.991 51.001 52.037 -0.076 0.000 0.605 232 A CB 0.474 19.414 19.000 -0.101 0.000 1.393 232 A HN 0.613 nan 8.150 nan 0.000 0.541 233 D N 0.112 120.489 120.400 -0.038 0.000 2.368 233 D HA 0.231 4.871 4.640 0.001 0.000 0.240 233 D C 1.471 177.762 176.300 -0.015 0.000 1.169 233 D CA -0.100 53.888 54.000 -0.020 0.000 0.906 233 D CB 0.985 41.777 40.800 -0.014 0.000 1.187 233 D HN 0.533 nan 8.370 nan 0.000 0.435 234 L N 2.318 123.545 121.223 0.006 0.000 1.978 234 L HA -0.266 4.075 4.340 0.001 0.000 0.218 234 L C 2.033 178.926 176.870 0.038 0.000 1.075 234 L CA 1.803 56.664 54.840 0.035 0.000 0.767 234 L CB -0.645 41.442 42.059 0.046 0.000 0.890 234 L HN 0.366 nan 8.230 nan 0.000 0.434 235 L N -0.446 120.792 121.223 0.025 0.000 2.042 235 L HA -0.217 4.123 4.340 0.001 0.000 0.210 235 L C 2.603 179.473 176.870 0.000 0.000 1.076 235 L CA 1.676 56.530 54.840 0.025 0.000 0.749 235 L CB -1.424 40.644 42.059 0.015 0.000 0.893 235 L HN 0.340 nan 8.230 nan 0.000 0.432 236 E N -1.194 118.990 120.200 -0.027 0.000 2.077 236 E HA -0.195 4.155 4.350 0.001 0.000 0.193 236 E C 2.320 178.853 176.600 -0.112 0.000 0.989 236 E CA 1.158 57.517 56.400 -0.067 0.000 0.800 236 E CB -0.278 29.375 29.700 -0.078 0.000 0.746 236 E HN 0.383 nan 8.360 nan 0.000 0.452 237 M N 0.057 119.603 119.600 -0.090 0.000 2.117 237 M HA -0.184 4.297 4.480 0.001 0.000 0.262 237 M C 2.019 178.273 176.300 -0.076 0.000 1.065 237 M CA 1.452 56.683 55.300 -0.114 0.000 1.114 237 M CB -0.288 32.273 32.600 -0.066 0.000 1.361 237 M HN 0.124 nan 8.290 nan 0.000 0.408 238 E N 0.100 120.300 120.200 -0.001 0.000 2.085 238 E HA -0.241 4.109 4.350 0.001 0.000 0.194 238 E C 2.043 178.661 176.600 0.029 0.000 0.994 238 E CA 1.286 57.716 56.400 0.050 0.000 0.801 238 E CB -0.134 29.632 29.700 0.110 0.000 0.743 238 E HN 0.592 nan 8.360 nan 0.000 0.453 239 Q N 0.190 119.982 119.800 -0.013 0.000 2.124 239 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 239 Q C 2.184 178.141 176.000 -0.072 0.000 0.977 239 Q CA 1.096 56.885 55.803 -0.023 0.000 0.850 239 Q CB -0.070 28.652 28.738 -0.026 0.000 0.901 239 Q HN 0.141 nan 8.270 nan 0.000 0.429 240 R N 0.222 120.606 120.500 -0.192 0.000 2.115 240 R HA -0.047 4.294 4.340 0.001 0.000 0.226 240 R C 2.236 178.448 176.300 -0.146 0.000 1.100 240 R CA 0.794 56.673 56.100 -0.369 0.000 0.980 240 R CB -0.169 29.532 30.300 -0.999 0.000 0.875 240 R HN 0.201 nan 8.270 nan 0.000 0.445 241 L N 0.469 121.628 121.223 -0.107 0.000 2.046 241 L HA -0.205 4.135 4.340 0.001 0.000 0.208 241 L C 2.570 179.279 176.870 -0.269 0.000 1.077 241 L CA 1.497 56.301 54.840 -0.059 0.000 0.747 241 L CB -0.388 41.739 42.059 0.113 0.000 0.896 241 L HN 0.284 nan 8.230 nan 0.000 0.432 242 E N -0.057 120.011 120.200 -0.220 0.000 2.077 242 E HA -0.205 4.146 4.350 0.001 0.000 0.193 242 E C 2.228 178.704 176.600 -0.206 0.000 0.989 242 E CA 1.420 57.618 56.400 -0.336 0.000 0.800 242 E CB 0.113 29.775 29.700 -0.063 0.000 0.746 242 E HN 0.238 nan 8.360 nan 0.000 0.452 243 V N 1.319 121.209 119.914 -0.040 0.000 2.287 243 V HA -0.293 3.828 4.120 0.001 0.000 0.248 243 V C 2.461 178.595 176.094 0.066 0.000 1.053 243 V CA 1.696 64.037 62.300 0.070 0.000 1.027 243 V CB -0.468 31.498 31.823 0.238 0.000 0.646 243 V HN 0.356 nan 8.190 nan 0.000 0.447 244 L N -0.044 121.230 121.223 0.086 0.000 2.012 244 L HA -0.202 4.138 4.340 0.001 0.000 0.210 244 L C 2.750 179.597 176.870 -0.038 0.000 1.073 244 L CA 1.768 56.650 54.840 0.070 0.000 0.748 244 L CB -0.894 41.207 42.059 0.070 0.000 0.891 244 L HN 0.376 nan 8.230 nan 0.000 0.431 245 A N -0.145 122.547 122.820 -0.214 0.000 1.902 245 A HA -0.233 4.088 4.320 0.001 0.000 0.217 245 A C 1.900 179.417 177.584 -0.110 0.000 1.181 245 A CA 2.035 53.924 52.037 -0.247 0.000 0.623 245 A CB -0.557 18.022 19.000 -0.702 0.000 0.818 245 A HN 0.369 nan 8.150 nan 0.000 0.443 246 D N -0.227 120.111 120.400 -0.103 0.000 2.219 246 D HA -0.054 4.586 4.640 0.001 0.000 0.205 246 D C 1.550 177.851 176.300 0.003 0.000 0.970 246 D CA 0.812 54.794 54.000 -0.031 0.000 0.851 246 D CB -0.175 40.613 40.800 -0.019 0.000 0.943 246 D HN 0.465 nan 8.370 nan 0.000 0.488 247 L N -0.793 120.439 121.223 0.015 0.000 2.592 247 L HA 0.205 4.546 4.340 0.001 0.000 0.227 247 L C 1.330 178.225 176.870 0.043 0.000 1.127 247 L CA 0.218 55.080 54.840 0.035 0.000 0.884 247 L CB 0.077 42.170 42.059 0.056 0.000 1.065 247 L HN 0.063 nan 8.230 nan 0.000 0.457 248 G N 0.799 109.621 108.800 0.036 0.000 2.176 248 G HA2 -0.274 3.687 3.960 0.001 0.000 0.252 248 G HA3 -0.274 3.687 3.960 0.001 0.000 0.252 248 G C 0.191 175.129 174.900 0.064 0.000 1.024 248 G CA -0.029 45.099 45.100 0.047 0.000 0.755 248 G HN 0.223 nan 8.290 nan 0.000 0.507 249 L N -1.334 119.935 121.223 0.076 0.000 2.475 249 L HA 0.478 4.819 4.340 0.001 0.000 0.253 249 L C 1.687 178.597 176.870 0.066 0.000 1.198 249 L CA -0.087 54.819 54.840 0.111 0.000 0.814 249 L CB 0.636 42.802 42.059 0.178 0.000 1.134 249 L HN 0.161 nan 8.230 nan 0.000 0.478 250 K N -1.207 119.232 120.400 0.065 0.000 2.425 250 K HA 0.223 4.544 4.320 0.001 0.000 0.201 250 K C -0.374 176.064 176.600 -0.270 0.000 1.128 250 K CA -0.031 56.213 56.287 -0.073 0.000 1.000 250 K CB 0.588 33.062 32.500 -0.044 0.000 0.961 250 K HN 0.442 nan 8.250 nan 0.000 0.555 251 H N -0.258 118.775 119.070 -0.062 0.000 2.637 251 H HA 0.578 5.134 4.556 0.001 0.000 0.363 251 H C -1.369 173.870 175.328 -0.149 0.000 1.131 251 H CA -0.711 55.262 56.048 -0.124 0.000 1.183 251 H CB 2.089 31.837 29.762 -0.023 0.000 1.637 251 H HN 0.138 nan 8.280 nan 0.000 0.531 252 A N 3.351 126.147 122.820 -0.040 0.000 2.356 252 A HA 0.488 4.809 4.320 0.001 0.000 0.310 252 A C -0.749 176.780 177.584 -0.091 0.000 1.075 252 A CA -0.768 51.224 52.037 -0.074 0.000 0.746 252 A CB 0.927 19.897 19.000 -0.049 0.000 1.221 252 A HN 0.725 nan 8.150 nan 0.000 0.443 253 M N 3.490 123.028 119.600 -0.103 0.000 2.264 253 M HA 0.690 5.170 4.480 0.001 0.000 0.352 253 M C -1.784 174.467 176.300 -0.081 0.000 1.173 253 M CA -0.359 54.900 55.300 -0.069 0.000 1.075 253 M CB 1.191 33.778 32.600 -0.022 0.000 1.621 253 M HN 0.396 nan 8.290 nan 0.000 0.457 254 V N 3.624 123.477 119.914 -0.103 0.000 2.686 254 V HA 0.287 4.407 4.120 0.001 0.000 0.306 254 V C -1.141 174.869 176.094 -0.141 0.000 1.065 254 V CA -0.915 61.311 62.300 -0.124 0.000 0.894 254 V CB 2.125 33.864 31.823 -0.140 0.000 1.004 254 V HN 0.766 nan 8.190 nan 0.000 0.424 255 D N 3.270 123.596 120.400 -0.123 0.000 2.455 255 D HA 0.114 4.754 4.640 0.001 0.000 0.234 255 D C 1.318 177.521 176.300 -0.161 0.000 1.224 255 D CA 0.081 54.015 54.000 -0.110 0.000 0.999 255 D CB 1.370 42.116 40.800 -0.090 0.000 1.072 255 D HN 0.482 nan 8.370 nan 0.000 0.514 256 V N 0.555 120.305 119.914 -0.274 0.000 2.427 256 V HA -0.220 3.900 4.120 0.001 0.000 0.248 256 V C 1.938 177.849 176.094 -0.306 0.000 1.051 256 V CA 0.964 63.024 62.300 -0.400 0.000 1.048 256 V CB -0.720 30.585 31.823 -0.863 0.000 0.666 256 V HN 0.283 nan 8.190 nan 0.000 0.456 257 V N 0.513 120.312 119.914 -0.191 0.000 2.358 257 V HA -0.162 3.959 4.120 0.001 0.000 0.246 257 V C 2.540 178.603 176.094 -0.052 0.000 1.047 257 V CA 2.340 64.614 62.300 -0.043 0.000 1.035 257 V CB -0.520 31.366 31.823 0.106 0.000 0.658 257 V HN 0.462 nan 8.190 nan 0.000 0.452 258 I N -0.029 120.512 120.570 -0.048 0.000 2.202 258 I HA -0.213 3.958 4.170 0.001 0.000 0.242 258 I C 2.571 178.651 176.117 -0.061 0.000 1.091 258 I CA 1.763 63.042 61.300 -0.035 0.000 1.368 258 I CB -0.838 37.144 38.000 -0.030 0.000 1.058 258 I HN 0.300 nan 8.210 nan 0.000 0.410 259 T N 0.431 114.930 114.554 -0.092 0.000 2.699 259 T HA -0.010 4.341 4.350 0.001 0.000 0.268 259 T C 0.976 175.627 174.700 -0.082 0.000 1.036 259 T CA 1.331 63.382 62.100 -0.081 0.000 1.147 259 T CB -0.579 68.233 68.868 -0.094 0.000 0.862 259 T HN 0.703 nan 8.240 nan 0.000 0.446 260 G N -0.706 107.993 108.800 -0.168 0.000 2.707 260 G HA2 -0.148 3.813 3.960 0.001 0.000 0.686 260 G HA3 -0.148 3.813 3.960 0.001 0.000 0.686 260 G C 0.123 174.920 174.900 -0.172 0.000 1.315 260 G CA -0.274 44.695 45.100 -0.217 0.000 0.832 260 G HN 0.391 nan 8.290 nan 0.000 0.573 261 W N 0.614 121.978 121.300 0.106 0.000 2.519 261 W HA 0.215 4.875 4.660 0.001 0.000 0.266 261 W C 2.470 179.043 176.519 0.090 0.000 1.253 261 W CA 0.908 58.317 57.345 0.106 0.000 1.274 261 W CB -0.051 29.453 29.460 0.073 0.000 1.114 261 W HN 0.919 nan 8.180 nan 0.000 0.596 262 G N 0.418 109.364 108.800 0.244 0.000 2.408 262 G HA2 -0.093 3.868 3.960 0.001 0.000 0.217 262 G HA3 -0.093 3.868 3.960 0.001 0.000 0.217 262 G C 1.524 176.507 174.900 0.138 0.000 1.150 262 G CA 1.242 46.441 45.100 0.165 0.000 0.776 262 G HN 0.293 nan 8.290 nan 0.000 0.542 263 A N -0.878 122.020 122.820 0.131 0.000 2.382 263 A HA 0.510 4.830 4.320 0.001 0.000 0.228 263 A C 1.899 179.586 177.584 0.172 0.000 1.217 263 A CA 0.062 52.189 52.037 0.149 0.000 0.923 263 A CB 0.048 19.121 19.000 0.123 0.000 0.979 263 A HN 0.237 nan 8.150 nan 0.000 0.515 264 L N 0.543 121.856 121.223 0.150 0.000 2.042 264 L HA -0.076 4.264 4.340 0.001 0.000 0.210 264 L C 2.330 179.291 176.870 0.151 0.000 1.076 264 L CA 2.269 57.186 54.840 0.128 0.000 0.749 264 L CB -0.635 41.513 42.059 0.148 0.000 0.893 264 L HN 0.518 nan 8.230 nan 0.000 0.432 265 R N -2.164 118.454 120.500 0.196 0.000 2.081 265 R HA -0.249 4.091 4.340 0.001 0.000 0.235 265 R C 2.412 178.798 176.300 0.143 0.000 1.131 265 R CA 1.706 57.910 56.100 0.173 0.000 0.960 265 R CB -0.565 29.836 30.300 0.169 0.000 0.856 265 R HN 0.448 nan 8.270 nan 0.000 0.436 266 Y N 0.962 121.289 120.300 0.045 0.000 2.145 266 Y HA -0.217 4.333 4.550 0.001 0.000 0.286 266 Y C 1.859 177.767 175.900 0.013 0.000 1.145 266 Y CA 1.483 59.595 58.100 0.019 0.000 1.148 266 Y CB -0.186 38.283 38.460 0.015 0.000 0.981 266 Y HN 0.022 nan 8.280 nan 0.000 0.507 267 I N 0.812 121.330 120.570 -0.085 0.000 2.226 267 I HA -0.280 3.891 4.170 0.001 0.000 0.245 267 I C 2.640 178.674 176.117 -0.138 0.000 1.100 267 I CA 1.511 62.708 61.300 -0.172 0.000 1.374 267 I CB -1.254 36.721 38.000 -0.041 0.000 1.057 267 I HN 0.309 nan 8.210 nan 0.000 0.413 268 R N 1.300 121.770 120.500 -0.050 0.000 2.073 268 R HA -0.187 4.154 4.340 0.001 0.000 0.234 268 R C 1.659 177.932 176.300 -0.044 0.000 1.134 268 R CA 1.808 57.898 56.100 -0.016 0.000 0.952 268 R CB -0.406 29.925 30.300 0.050 0.000 0.850 268 R HN 0.306 nan 8.270 nan 0.000 0.433 269 D N 0.869 121.226 120.400 -0.072 0.000 2.117 269 D HA -0.163 4.478 4.640 0.001 0.000 0.197 269 D C 1.920 178.110 176.300 -0.184 0.000 0.987 269 D CA 0.746 54.690 54.000 -0.093 0.000 0.829 269 D CB -0.271 40.492 40.800 -0.062 0.000 0.961 269 D HN 0.125 nan 8.370 nan 0.000 0.460 270 L N 1.078 122.110 121.223 -0.319 0.000 1.994 270 L HA -0.110 4.231 4.340 0.001 0.000 0.208 270 L C 2.221 178.939 176.870 -0.254 0.000 1.071 270 L CA 1.768 56.365 54.840 -0.404 0.000 0.745 270 L CB -0.989 40.764 42.059 -0.508 0.000 0.892 270 L HN -0.016 nan 8.230 nan 0.000 0.431 271 A N -0.818 121.953 122.820 -0.082 0.000 1.908 271 A HA -0.169 4.152 4.320 0.001 0.000 0.218 271 A C 2.451 180.079 177.584 0.073 0.000 1.181 271 A CA 2.028 54.102 52.037 0.060 0.000 0.627 271 A CB -1.173 17.843 19.000 0.026 0.000 0.818 271 A HN 0.550 nan 8.150 nan 0.000 0.445 272 A N 0.183 123.016 122.820 0.022 0.000 1.865 272 A HA -0.243 4.077 4.320 0.001 0.000 0.217 272 A C 1.773 179.364 177.584 0.012 0.000 1.191 272 A CA 2.021 54.087 52.037 0.047 0.000 0.623 272 A CB -0.752 18.253 19.000 0.008 0.000 0.826 272 A HN 0.467 nan 8.150 nan 0.000 0.444 273 D N -1.509 118.836 120.400 -0.093 0.000 2.182 273 D HA -0.136 4.504 4.640 0.001 0.000 0.201 273 D C 1.320 177.575 176.300 -0.076 0.000 0.986 273 D CA 1.188 55.103 54.000 -0.141 0.000 0.847 273 D CB -0.319 40.313 40.800 -0.280 0.000 0.942 273 D HN 0.589 nan 8.370 nan 0.000 0.467 274 Y N -0.076 120.232 120.300 0.014 0.000 2.546 274 Y HA 0.238 4.788 4.550 0.001 0.000 0.287 274 Y C 1.868 177.803 175.900 0.059 0.000 1.158 274 Y CA 0.288 58.404 58.100 0.027 0.000 1.307 274 Y CB -0.062 38.405 38.460 0.012 0.000 1.036 274 Y HN 0.015 nan 8.280 nan 0.000 0.532 275 G N 0.678 109.617 108.800 0.233 0.000 2.176 275 G HA2 -0.281 3.679 3.960 0.001 0.000 0.252 275 G HA3 -0.281 3.679 3.960 0.001 0.000 0.252 275 G C -0.231 174.848 174.900 0.299 0.000 1.024 275 G CA 0.051 45.321 45.100 0.285 0.000 0.755 275 G HN 0.264 nan 8.290 nan 0.000 0.507 276 L N 0.363 121.699 121.223 0.189 0.000 2.295 276 L HA 0.738 5.078 4.340 0.001 0.000 0.285 276 L C 0.947 177.685 176.870 -0.220 0.000 1.035 276 L CA -0.500 54.314 54.840 -0.044 0.000 0.806 276 L CB 1.714 43.778 42.059 0.008 0.000 1.214 276 L HN 0.313 nan 8.230 nan 0.000 0.426 277 A N 4.849 127.226 122.820 -0.738 0.000 2.388 277 A HA 0.630 4.950 4.320 0.001 0.000 0.257 277 A C -0.287 177.095 177.584 -0.336 0.000 1.095 277 A CA -0.283 51.283 52.037 -0.786 0.000 0.791 277 A CB 0.121 18.336 19.000 -1.308 0.000 1.029 277 A HN 0.655 nan 8.150 nan 0.000 0.489 278 I N 1.717 122.191 120.570 -0.160 0.000 2.339 278 I HA 0.215 4.386 4.170 0.001 0.000 0.290 278 I C -0.279 175.764 176.117 -0.122 0.000 0.994 278 I CA -0.392 60.844 61.300 -0.105 0.000 1.191 278 I CB 1.385 39.339 38.000 -0.076 0.000 1.343 278 I HN 0.804 nan 8.210 nan 0.000 0.458 279 H N 4.847 123.741 119.070 -0.294 0.000 2.556 279 H HA 0.522 5.078 4.556 0.001 0.000 0.310 279 H C 0.055 175.230 175.328 -0.255 0.000 1.057 279 H CA -0.372 55.429 56.048 -0.412 0.000 1.264 279 H CB 1.303 30.554 29.762 -0.851 0.000 1.404 279 H HN 0.703 nan 8.280 nan 0.000 0.462 280 G N 4.666 113.095 108.800 -0.618 0.000 2.329 280 G HA2 0.126 4.086 3.960 0.001 0.000 0.309 280 G HA3 0.126 4.086 3.960 0.001 0.000 0.309 280 G C -0.956 173.639 174.900 -0.509 0.000 1.110 280 G CA -0.418 44.387 45.100 -0.492 0.000 0.923 280 G HN 0.744 nan 8.290 nan 0.000 0.430 281 H N 2.585 121.381 119.070 -0.456 0.000 2.489 281 H HA 0.235 4.792 4.556 0.001 0.000 0.322 281 H C 0.880 175.988 175.328 -0.366 0.000 1.091 281 H CA -0.542 55.223 56.048 -0.471 0.000 1.291 281 H CB 1.391 30.950 29.762 -0.339 0.000 1.436 281 H HN 0.657 nan 8.280 nan 0.000 0.480 282 R N 3.011 123.219 120.500 -0.486 0.000 2.466 282 R HA 0.400 4.740 4.340 0.001 0.000 0.279 282 R C 0.341 176.653 176.300 0.020 0.000 0.976 282 R CA -0.344 55.618 56.100 -0.231 0.000 1.081 282 R CB 0.167 30.267 30.300 -0.332 0.000 1.215 282 R HN 0.364 nan 8.270 nan 0.000 0.546 283 A N 1.813 124.728 122.820 0.158 0.000 2.591 283 A HA 0.051 4.371 4.320 0.001 0.000 0.244 283 A C 0.919 178.548 177.584 0.076 0.000 1.031 283 A CA 1.192 53.338 52.037 0.181 0.000 0.767 283 A CB -0.233 18.886 19.000 0.198 0.000 0.942 283 A HN 0.858 nan 8.150 nan 0.000 0.514 284 M N 0.520 120.123 119.600 0.004 0.000 3.053 284 M HA -0.288 4.192 4.480 0.001 0.000 0.222 284 M C 1.025 177.214 176.300 -0.186 0.000 0.556 284 M CA 1.928 57.202 55.300 -0.044 0.000 0.851 284 M CB -2.049 30.578 32.600 0.044 0.000 3.027 284 M HN 1.275 nan 8.290 nan 0.000 0.301 285 H N 0.027 118.940 119.070 -0.261 0.000 2.353 285 H HA 0.170 4.727 4.556 0.001 0.000 0.298 285 H C 1.698 176.563 175.328 -0.773 0.000 1.103 285 H CA 2.273 57.937 56.048 -0.642 0.000 1.293 285 H CB -0.765 28.774 29.762 -0.371 0.000 1.372 285 H HN 0.528 nan 8.280 nan 0.000 0.501 286 A N 1.074 123.140 122.820 -1.257 0.000 2.178 286 A HA 0.088 4.409 4.320 0.001 0.000 0.218 286 A C 2.548 179.885 177.584 -0.412 0.000 1.157 286 A CA 1.075 52.621 52.037 -0.818 0.000 0.689 286 A CB -1.118 17.468 19.000 -0.691 0.000 0.787 286 A HN 0.752 nan 8.150 nan 0.000 0.465 287 A N -0.671 121.935 122.820 -0.356 0.000 2.067 287 A HA 0.152 4.472 4.320 0.001 0.000 0.219 287 A C 1.504 179.099 177.584 0.018 0.000 1.158 287 A CA 1.480 53.455 52.037 -0.103 0.000 0.661 287 A CB -0.537 18.477 19.000 0.023 0.000 0.801 287 A HN 1.171 nan 8.150 nan 0.000 0.452 288 F N -3.373 116.555 119.950 -0.036 0.000 2.925 288 F HA 0.218 4.745 4.527 0.001 0.000 0.355 288 F C 1.405 177.197 175.800 -0.014 0.000 1.073 288 F CA 0.584 58.561 58.000 -0.039 0.000 1.127 288 F CB -0.398 38.551 39.000 -0.086 0.000 1.123 288 F HN 0.019 nan 8.300 nan 0.000 0.551 289 T N -2.612 111.811 114.554 -0.219 0.000 3.040 289 T HA 0.191 4.541 4.350 0.001 0.000 0.250 289 T C 1.743 176.441 174.700 -0.004 0.000 1.058 289 T CA 0.426 62.508 62.100 -0.030 0.000 0.988 289 T CB -0.093 68.783 68.868 0.012 0.000 0.993 289 T HN 0.377 nan 8.240 nan 0.000 0.519 290 R N 1.330 121.805 120.500 -0.042 0.000 2.100 290 R HA 0.142 4.483 4.340 0.001 0.000 0.220 290 R C 0.638 176.945 176.300 0.011 0.000 1.091 290 R CA 0.306 56.392 56.100 -0.024 0.000 0.986 290 R CB -0.095 30.172 30.300 -0.056 0.000 0.888 290 R HN 0.248 nan 8.270 nan 0.000 0.444 291 N N 1.778 120.508 118.700 0.049 0.000 2.405 291 N HA 0.020 4.760 4.740 0.001 0.000 0.260 291 N C -1.918 173.630 175.510 0.064 0.000 1.152 291 N CA -1.772 51.334 53.050 0.093 0.000 0.948 291 N CB 1.576 40.163 38.487 0.166 0.000 1.111 291 N HN 0.088 nan 8.380 nan 0.000 0.485 292 P HA -0.084 nan 4.420 nan 0.000 0.231 292 P C 0.023 177.169 177.300 -0.258 0.000 1.158 292 P CA 1.115 64.093 63.100 -0.203 0.000 0.763 292 P CB 0.042 31.532 31.700 -0.351 0.000 0.805 293 Y N -2.062 118.318 120.300 0.133 0.000 2.481 293 Y HA 0.313 4.864 4.550 0.001 0.000 0.247 293 Y C 0.545 176.610 175.900 0.275 0.000 1.151 293 Y CA -0.196 58.013 58.100 0.181 0.000 1.238 293 Y CB 0.221 38.772 38.460 0.153 0.000 1.179 293 Y HN 0.031 nan 8.280 nan 0.000 0.524 294 H N -0.965 118.247 119.070 0.238 0.000 3.155 294 H HA 0.532 5.089 4.556 0.001 0.000 0.328 294 H C 0.005 175.424 175.328 0.153 0.000 1.059 294 H CA -0.172 56.011 56.048 0.226 0.000 1.378 294 H CB 0.921 30.800 29.762 0.196 0.000 1.998 294 H HN 0.250 nan 8.280 nan 0.000 0.480 295 G N 2.541 111.166 108.800 -0.291 0.000 2.295 295 G HA2 -0.019 3.941 3.960 0.001 0.000 0.195 295 G HA3 -0.019 3.941 3.960 0.001 0.000 0.195 295 G C -1.481 173.383 174.900 -0.060 0.000 1.269 295 G CA -0.364 44.557 45.100 -0.297 0.000 1.170 295 G HN 0.632 nan 8.290 nan 0.000 0.511 296 I N 1.060 121.706 120.570 0.126 0.000 2.436 296 I HA 0.514 4.684 4.170 0.001 0.000 0.289 296 I C 0.673 176.936 176.117 0.244 0.000 1.010 296 I CA -0.697 60.739 61.300 0.226 0.000 1.098 296 I CB 1.979 40.121 38.000 0.238 0.000 1.266 296 I HN 0.602 nan 8.210 nan 0.000 0.434 297 S N 4.290 120.093 115.700 0.172 0.000 2.572 297 S HA 0.070 4.541 4.470 0.001 0.000 0.279 297 S C 1.025 175.724 174.600 0.165 0.000 1.341 297 S CA -0.403 57.883 58.200 0.144 0.000 1.043 297 S CB 0.674 63.956 63.200 0.135 0.000 0.887 297 S HN 0.642 nan 8.310 nan 0.000 0.516 298 M N 5.077 124.751 119.600 0.122 0.000 2.358 298 M HA 0.017 4.498 4.480 0.001 0.000 0.264 298 M C 1.210 177.552 176.300 0.070 0.000 1.064 298 M CA 1.546 56.888 55.300 0.071 0.000 1.093 298 M CB -0.806 31.791 32.600 -0.005 0.000 1.401 298 M HN 0.841 nan 8.290 nan 0.000 0.440 299 F N -0.671 119.259 119.950 -0.034 0.000 2.134 299 F HA -0.197 4.331 4.527 0.001 0.000 0.299 299 F C 1.815 177.559 175.800 -0.093 0.000 1.097 299 F CA 1.792 59.740 58.000 -0.086 0.000 1.264 299 F CB -0.385 38.577 39.000 -0.064 0.000 1.001 299 F HN -0.027 nan 8.300 nan 0.000 0.479 300 V N 0.744 120.734 119.914 0.127 0.000 2.295 300 V HA -0.316 3.804 4.120 0.001 0.000 0.246 300 V C 2.488 178.507 176.094 -0.125 0.000 1.049 300 V CA 1.938 64.221 62.300 -0.029 0.000 1.024 300 V CB -0.777 31.053 31.823 0.013 0.000 0.648 300 V HN 0.362 nan 8.190 nan 0.000 0.447 301 L N 0.143 121.350 121.223 -0.026 0.000 2.013 301 L HA -0.237 4.103 4.340 0.001 0.000 0.212 301 L C 2.798 179.592 176.870 -0.125 0.000 1.073 301 L CA 1.909 56.707 54.840 -0.069 0.000 0.753 301 L CB -0.982 41.155 42.059 0.130 0.000 0.890 301 L HN 0.398 nan 8.230 nan 0.000 0.432 302 A N 0.061 122.828 122.820 -0.089 0.000 1.908 302 A HA -0.277 4.043 4.320 0.001 0.000 0.218 302 A C 2.423 179.889 177.584 -0.197 0.000 1.181 302 A CA 2.177 54.145 52.037 -0.114 0.000 0.627 302 A CB -0.507 18.361 19.000 -0.219 0.000 0.818 302 A HN 0.380 nan 8.150 nan 0.000 0.445 303 K N -0.334 119.873 120.400 -0.322 0.000 2.057 303 K HA -0.042 4.279 4.320 0.001 0.000 0.206 303 K C 1.885 178.342 176.600 -0.239 0.000 1.050 303 K CA 1.290 57.402 56.287 -0.290 0.000 0.935 303 K CB -0.280 31.995 32.500 -0.375 0.000 0.715 303 K HN 0.496 nan 8.250 nan 0.000 0.439 304 L N -0.054 121.001 121.223 -0.280 0.000 2.072 304 L HA -0.159 4.182 4.340 0.001 0.000 0.205 304 L C 2.348 179.161 176.870 -0.096 0.000 1.079 304 L CA 0.987 55.664 54.840 -0.272 0.000 0.752 304 L CB -0.589 41.284 42.059 -0.309 0.000 0.906 304 L HN 0.164 nan 8.230 nan 0.000 0.436 305 Y N 0.055 120.392 120.300 0.061 0.000 2.224 305 Y HA -0.210 4.340 4.550 0.001 0.000 0.289 305 Y C 2.815 178.694 175.900 -0.035 0.000 1.146 305 Y CA 1.053 59.172 58.100 0.033 0.000 1.182 305 Y CB -0.656 37.790 38.460 -0.024 0.000 0.983 305 Y HN 0.107 nan 8.280 nan 0.000 0.524 306 R N 0.370 120.897 120.500 0.046 0.000 2.073 306 R HA -0.148 4.193 4.340 0.001 0.000 0.234 306 R C 2.093 178.377 176.300 -0.026 0.000 1.134 306 R CA 1.413 57.492 56.100 -0.035 0.000 0.952 306 R CB -0.546 29.663 30.300 -0.153 0.000 0.850 306 R HN 0.336 nan 8.270 nan 0.000 0.433 307 L N 0.613 121.776 121.223 -0.100 0.000 2.012 307 L HA -0.221 4.119 4.340 0.001 0.000 0.210 307 L C 2.541 179.404 176.870 -0.012 0.000 1.073 307 L CA 1.454 56.166 54.840 -0.213 0.000 0.748 307 L CB -0.407 41.172 42.059 -0.800 0.000 0.891 307 L HN 0.272 nan 8.230 nan 0.000 0.431 308 I N -0.528 120.088 120.570 0.076 0.000 2.208 308 I HA -0.226 3.945 4.170 0.001 0.000 0.245 308 I C 1.420 177.668 176.117 0.219 0.000 1.097 308 I CA 1.449 62.941 61.300 0.320 0.000 1.363 308 I CB -0.422 37.790 38.000 0.354 0.000 1.051 308 I HN 0.544 nan 8.210 nan 0.000 0.413 309 G N 0.594 109.479 108.800 0.142 0.000 2.157 309 G HA2 -0.100 3.860 3.960 0.001 0.000 0.114 309 G HA3 -0.100 3.860 3.960 0.001 0.000 0.114 309 G C 0.001 174.940 174.900 0.065 0.000 1.041 309 G CA -0.779 44.380 45.100 0.098 0.000 0.714 309 G HN 0.052 nan 8.290 nan 0.000 0.492 310 I N 1.636 122.236 120.570 0.049 0.000 2.533 310 I HA 0.164 4.334 4.170 0.001 0.000 0.284 310 I C 0.993 177.100 176.117 -0.018 0.000 1.109 310 I CA -0.164 61.125 61.300 -0.019 0.000 1.412 310 I CB 0.592 38.542 38.000 -0.083 0.000 1.396 310 I HN 0.109 nan 8.210 nan 0.000 0.543 311 D N 4.693 125.084 120.400 -0.016 0.000 2.162 311 D HA -0.049 4.592 4.640 0.001 0.000 0.203 311 D C 0.350 176.674 176.300 0.040 0.000 0.967 311 D CA 1.199 55.216 54.000 0.029 0.000 0.840 311 D CB 0.549 41.379 40.800 0.050 0.000 0.972 311 D HN 0.616 nan 8.370 nan 0.000 0.482 312 Q N 0.046 119.827 119.800 -0.032 0.000 2.347 312 Q HA 0.614 4.954 4.340 0.001 0.000 0.271 312 Q C -1.377 174.495 176.000 -0.212 0.000 1.064 312 Q CA -0.660 55.125 55.803 -0.031 0.000 0.800 312 Q CB 3.167 31.906 28.738 0.002 0.000 1.304 312 Q HN -0.063 nan 8.270 nan 0.000 0.438 313 L N 1.059 122.184 121.223 -0.165 0.000 2.493 313 L HA 0.365 4.705 4.340 0.001 0.000 0.265 313 L C -1.255 175.532 176.870 -0.139 0.000 0.954 313 L CA -0.252 54.470 54.840 -0.197 0.000 0.844 313 L CB 1.861 43.835 42.059 -0.141 0.000 1.302 313 L HN 0.686 nan 8.230 nan 0.000 0.405 314 H N 4.043 122.934 119.070 -0.298 0.000 2.886 314 H HA 0.244 4.800 4.556 0.001 0.000 0.329 314 H C 0.578 175.778 175.328 -0.213 0.000 1.044 314 H CA 0.721 56.631 56.048 -0.230 0.000 1.456 314 H CB 1.556 31.131 29.762 -0.311 0.000 1.464 314 H HN 0.634 nan 8.280 nan 0.000 0.573 315 V N 0.251 120.116 119.914 -0.081 0.000 3.485 315 V HA 0.467 4.587 4.120 0.001 0.000 0.280 315 V C 0.865 176.920 176.094 -0.065 0.000 1.495 315 V CA 0.479 62.727 62.300 -0.087 0.000 1.018 315 V CB 0.575 32.355 31.823 -0.070 0.000 0.818 315 V HN 1.038 nan 8.190 nan 0.000 0.436 316 G N 1.192 109.966 108.800 -0.044 0.000 2.384 316 G HA2 0.140 4.100 3.960 0.001 0.000 0.668 316 G HA3 0.140 4.100 3.960 0.001 0.000 0.668 316 G C 0.084 174.974 174.900 -0.018 0.000 1.280 316 G CA 0.329 45.419 45.100 -0.017 0.000 0.992 316 G HN 1.181 nan 8.290 nan 0.000 0.512 317 T N -2.604 111.945 114.554 -0.009 0.000 3.182 317 T HA 0.646 4.997 4.350 0.001 0.000 0.277 317 T C 1.372 176.062 174.700 -0.017 0.000 1.013 317 T CA 1.520 63.609 62.100 -0.018 0.000 0.900 317 T CB 0.433 69.290 68.868 -0.019 0.000 1.098 317 T HN 2.652 nan 8.240 nan 0.000 0.543 318 A N 0.608 123.422 122.820 -0.010 0.000 2.704 318 A HA 0.152 4.473 4.320 0.001 0.000 0.299 318 A C 1.785 179.365 177.584 -0.005 0.000 1.507 318 A CA 0.933 52.967 52.037 -0.006 0.000 0.776 318 A CB -2.243 16.753 19.000 -0.007 0.000 1.027 318 A HN 2.260 nan 8.150 nan 0.000 0.475 319 G N -3.233 105.565 108.800 -0.002 0.000 2.148 319 G HA2 0.088 4.048 3.960 0.001 0.000 0.254 319 G HA3 0.088 4.048 3.960 0.001 0.000 0.254 319 G C 1.130 176.029 174.900 -0.003 0.000 0.981 319 G CA 1.265 46.365 45.100 0.001 0.000 0.670 319 G HN 2.364 nan 8.290 nan 0.000 0.528 320 A N -0.681 122.131 122.820 -0.014 0.000 2.115 320 A HA 0.699 5.019 4.320 0.001 0.000 0.211 320 A C 1.651 179.218 177.584 -0.029 0.000 1.169 320 A CA 1.739 53.760 52.037 -0.027 0.000 0.787 320 A CB 0.073 19.041 19.000 -0.052 0.000 0.858 320 A HN 1.663 nan 8.150 nan 0.000 0.474 321 G N -0.407 108.383 108.800 -0.018 0.000 2.795 321 G HA2 0.412 4.372 3.960 0.001 0.000 0.267 321 G HA3 0.412 4.372 3.960 0.001 0.000 0.267 321 G C 0.587 175.493 174.900 0.009 0.000 1.362 321 G CA 0.136 45.228 45.100 -0.012 0.000 1.048 321 G HN 0.285 nan 8.290 nan 0.000 0.547 322 K N -1.282 119.126 120.400 0.015 0.000 2.459 322 K HA 0.237 4.558 4.320 0.001 0.000 0.193 322 K C 0.186 176.799 176.600 0.023 0.000 1.030 322 K CA 0.284 56.584 56.287 0.022 0.000 1.026 322 K CB -0.122 32.392 32.500 0.025 0.000 0.809 322 K HN 0.211 nan 8.250 nan 0.000 0.504 323 L N 1.820 123.058 121.223 0.024 0.000 2.346 323 L HA 0.302 4.642 4.340 0.001 0.000 0.274 323 L C 0.116 177.000 176.870 0.024 0.000 1.007 323 L CA -1.186 53.669 54.840 0.025 0.000 0.818 323 L CB 1.745 43.828 42.059 0.040 0.000 1.284 323 L HN 0.100 nan 8.230 nan 0.000 0.424 324 E N 1.805 122.015 120.200 0.017 0.000 2.452 324 E HA 0.245 4.596 4.350 0.001 0.000 0.261 324 E C -0.200 176.415 176.600 0.025 0.000 0.987 324 E CA 0.481 56.891 56.400 0.016 0.000 0.926 324 E CB 0.981 30.684 29.700 0.006 0.000 0.934 324 E HN 0.785 nan 8.360 nan 0.000 0.452 325 G N 4.514 113.325 108.800 0.017 0.000 2.110 325 G HA2 0.012 3.972 3.960 0.001 0.000 0.218 325 G HA3 0.012 3.972 3.960 0.001 0.000 0.218 325 G C -0.782 174.122 174.900 0.007 0.000 2.460 325 G CA -0.740 44.370 45.100 0.015 0.000 0.838 325 G HN 0.463 nan 8.290 nan 0.000 0.534 326 E N 1.190 121.391 120.200 0.003 0.000 2.390 326 E HA 0.216 4.566 4.350 0.001 0.000 0.261 326 E C 1.444 178.047 176.600 0.004 0.000 1.076 326 E CA -0.671 55.730 56.400 0.003 0.000 0.905 326 E CB 1.694 31.394 29.700 -0.000 0.000 0.984 326 E HN 0.510 nan 8.360 nan 0.000 0.427 327 R N 2.162 122.666 120.500 0.006 0.000 2.113 327 R HA -0.226 4.114 4.340 0.001 0.000 0.244 327 R C 1.372 177.681 176.300 0.015 0.000 1.142 327 R CA 2.471 58.576 56.100 0.008 0.000 0.953 327 R CB -0.188 30.116 30.300 0.007 0.000 0.860 327 R HN 0.671 nan 8.270 nan 0.000 0.438 328 D N 0.305 120.716 120.400 0.018 0.000 2.097 328 D HA -0.214 4.426 4.640 0.001 0.000 0.195 328 D C 2.115 178.434 176.300 0.033 0.000 0.989 328 D CA 1.374 55.392 54.000 0.030 0.000 0.827 328 D CB -0.495 40.324 40.800 0.031 0.000 0.966 328 D HN 0.404 nan 8.370 nan 0.000 0.456 329 I N 1.151 121.730 120.570 0.015 0.000 2.252 329 I HA -0.195 3.975 4.170 0.001 0.000 0.245 329 I C 2.411 178.545 176.117 0.028 0.000 1.102 329 I CA 1.180 62.489 61.300 0.016 0.000 1.385 329 I CB -0.435 37.559 38.000 -0.010 0.000 1.064 329 I HN 0.006 nan 8.210 nan 0.000 0.414 330 T N 1.335 115.899 114.554 0.016 0.000 2.746 330 T HA -0.123 4.227 4.350 0.001 0.000 0.267 330 T C 1.950 176.661 174.700 0.018 0.000 1.039 330 T CA 1.280 63.385 62.100 0.009 0.000 1.142 330 T CB -0.267 68.600 68.868 -0.000 0.000 0.866 330 T HN 0.231 nan 8.240 nan 0.000 0.444 331 I N 1.039 121.627 120.570 0.029 0.000 2.208 331 I HA -0.230 3.940 4.170 0.001 0.000 0.245 331 I C 2.869 179.028 176.117 0.070 0.000 1.097 331 I CA 1.159 62.484 61.300 0.042 0.000 1.363 331 I CB -0.329 37.697 38.000 0.044 0.000 1.051 331 I HN 0.191 nan 8.210 nan 0.000 0.413 332 Q N 0.441 120.293 119.800 0.087 0.000 2.079 332 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 332 Q C 1.990 178.073 176.000 0.139 0.000 0.974 332 Q CA 1.312 57.198 55.803 0.139 0.000 0.840 332 Q CB -0.668 28.093 28.738 0.039 0.000 0.898 332 Q HN 0.529 nan 8.270 nan 0.000 0.430 333 N N 1.046 119.789 118.700 0.072 0.000 2.061 333 N HA -0.157 4.584 4.740 0.001 0.000 0.193 333 N C 1.652 177.107 175.510 -0.092 0.000 1.030 333 N CA 1.728 54.756 53.050 -0.037 0.000 0.856 333 N CB -0.437 38.029 38.487 -0.035 0.000 1.023 333 N HN 0.288 nan 8.380 nan 0.000 0.424 334 A N 1.193 123.991 122.820 -0.036 0.000 1.930 334 A HA -0.063 4.257 4.320 0.001 0.000 0.217 334 A C 2.254 179.814 177.584 -0.041 0.000 1.175 334 A CA 1.023 53.038 52.037 -0.038 0.000 0.627 334 A CB -0.326 18.671 19.000 -0.006 0.000 0.815 334 A HN 0.223 nan 8.150 nan 0.000 0.443 335 R N -1.220 119.291 120.500 0.018 0.000 2.081 335 R HA -0.069 4.272 4.340 0.001 0.000 0.235 335 R C 1.857 178.165 176.300 0.014 0.000 1.131 335 R CA 1.465 57.618 56.100 0.089 0.000 0.960 335 R CB -0.432 30.031 30.300 0.273 0.000 0.856 335 R HN 0.490 nan 8.270 nan 0.000 0.436 336 I N 0.857 121.328 120.570 -0.165 0.000 2.830 336 I HA -0.131 4.039 4.170 0.001 0.000 0.263 336 I C 1.620 177.458 176.117 -0.464 0.000 1.230 336 I CA 1.082 62.130 61.300 -0.420 0.000 1.480 336 I CB 0.107 37.494 38.000 -1.020 0.000 1.095 336 I HN 0.116 nan 8.210 nan 0.000 0.455 337 L N -0.832 120.188 121.223 -0.338 0.000 2.209 337 L HA 0.001 4.342 4.340 0.001 0.000 0.207 337 L C 2.381 179.057 176.870 -0.322 0.000 1.094 337 L CA 0.718 55.368 54.840 -0.318 0.000 0.790 337 L CB -0.325 41.620 42.059 -0.191 0.000 0.932 337 L HN 0.102 nan 8.230 nan 0.000 0.447 338 R N -0.535 119.817 120.500 -0.247 0.000 2.167 338 R HA 0.126 4.466 4.340 0.001 0.000 0.201 338 R C 0.235 176.424 176.300 -0.186 0.000 1.024 338 R CA -0.024 55.957 56.100 -0.199 0.000 1.053 338 R CB 0.368 30.596 30.300 -0.121 0.000 0.987 338 R HN 0.282 nan 8.270 nan 0.000 0.493 339 E N 1.040 121.156 120.200 -0.140 0.000 2.338 339 E HA 0.002 4.352 4.350 0.001 0.000 0.272 339 E C 0.620 177.213 176.600 -0.012 0.000 1.029 339 E CA -0.096 56.294 56.400 -0.018 0.000 0.872 339 E CB 1.391 31.172 29.700 0.135 0.000 1.015 339 E HN 0.134 nan 8.360 nan 0.000 0.417 340 S N 2.217 117.957 115.700 0.067 0.000 2.436 340 S HA -0.132 4.338 4.470 0.001 0.000 0.228 340 S C 0.625 175.382 174.600 0.263 0.000 1.014 340 S CA 0.589 58.867 58.200 0.130 0.000 0.950 340 S CB -0.021 63.221 63.200 0.070 0.000 0.784 340 S HN 0.670 nan 8.310 nan 0.000 0.504 341 H N -0.348 118.809 119.070 0.145 0.000 3.036 341 H HA 0.378 4.934 4.556 0.001 0.000 0.295 341 H C -1.707 173.729 175.328 0.180 0.000 1.124 341 H CA -1.138 54.987 56.048 0.128 0.000 1.507 341 H CB 0.554 30.326 29.762 0.017 0.000 1.591 341 H HN 0.358 nan 8.280 nan 0.000 0.510 342 Y N 5.137 125.687 120.300 0.416 0.000 2.359 342 Y HA 0.285 4.835 4.550 0.001 0.000 0.334 342 Y C -0.903 175.165 175.900 0.280 0.000 1.058 342 Y CA -0.229 58.057 58.100 0.309 0.000 1.244 342 Y CB 0.458 39.131 38.460 0.356 0.000 1.187 342 Y HN 0.459 nan 8.280 nan 0.000 0.510 343 K N 8.769 128.890 120.400 -0.464 0.000 2.463 343 K HA 0.352 4.673 4.320 0.001 0.000 0.255 343 K C -2.778 173.463 176.600 -0.598 0.000 0.942 343 K CA -2.058 54.012 56.287 -0.361 0.000 0.814 343 K CB 1.684 34.050 32.500 -0.222 0.000 1.122 343 K HN 0.472 nan 8.250 nan 0.000 0.425 344 P HA 0.029 nan 4.420 nan 0.000 0.271 344 P C -0.693 176.542 177.300 -0.109 0.000 1.216 344 P CA -0.237 62.768 63.100 -0.158 0.000 0.776 344 P CB 0.589 32.340 31.700 0.086 0.000 0.881 345 D N 1.358 121.718 120.400 -0.067 0.000 2.406 345 D HA 0.022 4.662 4.640 0.001 0.000 0.234 345 D C 1.832 178.109 176.300 -0.039 0.000 1.196 345 D CA 0.373 54.346 54.000 -0.046 0.000 0.881 345 D CB 0.194 40.986 40.800 -0.013 0.000 1.205 345 D HN 0.534 nan 8.370 nan 0.000 0.453 346 E N 1.268 121.443 120.200 -0.042 0.000 2.204 346 E HA -0.210 4.140 4.350 0.001 0.000 0.195 346 E C 1.084 177.650 176.600 -0.056 0.000 0.990 346 E CA 1.389 57.761 56.400 -0.046 0.000 0.821 346 E CB -0.785 28.891 29.700 -0.040 0.000 0.750 346 E HN 0.568 nan 8.360 nan 0.000 0.477 347 N N 0.354 119.027 118.700 -0.045 0.000 2.268 347 N HA 0.024 4.765 4.740 0.001 0.000 0.204 347 N C -0.507 174.958 175.510 -0.076 0.000 1.124 347 N CA 0.271 53.285 53.050 -0.060 0.000 0.838 347 N CB 0.297 38.766 38.487 -0.030 0.000 0.994 347 N HN 0.260 nan 8.380 nan 0.000 0.489 348 D N 1.165 121.529 120.400 -0.060 0.000 2.380 348 D HA 0.058 4.698 4.640 0.001 0.000 0.230 348 D C 1.198 177.378 176.300 -0.199 0.000 1.154 348 D CA -0.555 53.419 54.000 -0.043 0.000 0.859 348 D CB 1.604 42.460 40.800 0.093 0.000 1.045 348 D HN 0.006 nan 8.370 nan 0.000 0.495 349 V N 1.898 121.540 119.914 -0.454 0.000 3.649 349 V HA 0.151 4.272 4.120 0.001 0.000 0.275 349 V C 1.153 176.855 176.094 -0.653 0.000 1.281 349 V CA 0.414 62.330 62.300 -0.640 0.000 1.143 349 V CB -0.983 30.308 31.823 -0.887 0.000 0.892 349 V HN 0.284 nan 8.190 nan 0.000 0.441 350 F N 0.547 120.280 119.950 -0.362 0.000 2.437 350 F HA 0.391 4.918 4.527 0.001 0.000 0.288 350 F C 1.231 176.623 175.800 -0.680 0.000 1.085 350 F CA -0.004 57.631 58.000 -0.608 0.000 1.430 350 F CB -0.222 38.203 39.000 -0.959 0.000 1.120 350 F HN 0.302 nan 8.300 nan 0.000 0.556 351 H N -0.372 118.682 119.070 -0.027 0.000 2.569 351 H HA 0.621 5.177 4.556 0.001 0.000 0.357 351 H C -0.620 174.764 175.328 0.094 0.000 1.153 351 H CA -0.815 55.176 56.048 -0.094 0.000 1.193 351 H CB 1.746 31.327 29.762 -0.301 0.000 1.602 351 H HN -0.167 nan 8.280 nan 0.000 0.523 352 L N 0.933 122.326 121.223 0.285 0.000 2.334 352 L HA 0.305 4.645 4.340 0.001 0.000 0.270 352 L C 0.502 177.603 176.870 0.385 0.000 1.018 352 L CA -0.886 54.098 54.840 0.239 0.000 0.811 352 L CB 1.514 43.656 42.059 0.138 0.000 1.271 352 L HN 0.635 nan 8.230 nan 0.000 0.443 353 E N 1.648 122.001 120.200 0.255 0.000 2.414 353 E HA 0.004 4.355 4.350 0.001 0.000 0.263 353 E C -0.889 175.930 176.600 0.365 0.000 1.000 353 E CA -0.001 56.583 56.400 0.305 0.000 0.914 353 E CB 0.697 30.508 29.700 0.185 0.000 0.948 353 E HN 0.402 nan 8.360 nan 0.000 0.444 354 Q N 3.602 123.636 119.800 0.390 0.000 2.309 354 Q HA 0.235 4.575 4.340 0.001 0.000 0.254 354 Q C -1.787 174.159 176.000 -0.091 0.000 0.938 354 Q CA -0.555 55.339 55.803 0.152 0.000 0.789 354 Q CB 1.117 29.858 28.738 0.004 0.000 1.313 354 Q HN 0.348 nan 8.270 nan 0.000 0.438 355 K N 3.374 123.587 120.400 -0.312 0.000 2.234 355 K HA 0.296 4.616 4.320 0.001 0.000 0.282 355 K C -0.345 175.964 176.600 -0.485 0.000 1.039 355 K CA -0.149 55.811 56.287 -0.545 0.000 0.928 355 K CB 0.697 32.650 32.500 -0.912 0.000 1.039 355 K HN 0.595 nan 8.250 nan 0.000 0.470 356 F N 1.546 121.364 119.950 -0.220 0.000 2.678 356 F HA 0.092 4.619 4.527 0.001 0.000 0.305 356 F C 0.204 176.048 175.800 0.074 0.000 1.090 356 F CA -0.237 57.745 58.000 -0.030 0.000 1.272 356 F CB -0.170 38.811 39.000 -0.032 0.000 1.060 356 F HN 0.648 nan 8.300 nan 0.000 0.576 357 Y N -0.561 119.800 120.300 0.102 0.000 2.817 357 Y HA -0.515 4.035 4.550 0.001 0.000 0.471 357 Y C 2.228 178.173 175.900 0.074 0.000 1.142 357 Y CA 1.455 59.592 58.100 0.060 0.000 2.725 357 Y CB -1.846 36.627 38.460 0.023 0.000 1.169 357 Y HN 0.044 nan 8.280 nan 0.000 0.619 358 S N 0.175 116.029 115.700 0.255 0.000 2.556 358 S HA 0.261 4.732 4.470 0.001 0.000 0.216 358 S C 0.239 174.909 174.600 0.116 0.000 0.970 358 S CA -0.024 58.259 58.200 0.139 0.000 0.912 358 S CB -0.005 63.255 63.200 0.099 0.000 0.790 358 S HN 0.308 nan 8.310 nan 0.000 0.504 359 I N 3.889 124.558 120.570 0.166 0.000 2.769 359 I HA 0.059 4.229 4.170 0.001 0.000 0.285 359 I C 0.837 176.982 176.117 0.045 0.000 1.173 359 I CA 0.321 61.701 61.300 0.134 0.000 1.389 359 I CB -0.603 37.539 38.000 0.236 0.000 1.404 359 I HN 0.300 nan 8.210 nan 0.000 0.544 360 K N 4.465 124.869 120.400 0.008 0.000 2.286 360 K HA 0.286 4.606 4.320 0.001 0.000 0.256 360 K C 0.339 176.876 176.600 -0.106 0.000 0.999 360 K CA -0.372 55.892 56.287 -0.039 0.000 0.908 360 K CB 0.542 33.025 32.500 -0.028 0.000 0.981 360 K HN 0.713 nan 8.250 nan 0.000 0.500 361 A N 1.011 123.750 122.820 -0.136 0.000 2.388 361 A HA 0.461 4.782 4.320 0.001 0.000 0.257 361 A C -0.219 177.261 177.584 -0.172 0.000 1.095 361 A CA -0.303 51.616 52.037 -0.197 0.000 0.791 361 A CB 0.497 19.375 19.000 -0.202 0.000 1.029 361 A HN 0.713 nan 8.150 nan 0.000 0.489 362 A N 1.317 124.032 122.820 -0.175 0.000 2.295 362 A HA 0.669 4.989 4.320 0.001 0.000 0.318 362 A C -0.713 176.834 177.584 -0.062 0.000 1.134 362 A CA -0.422 51.556 52.037 -0.097 0.000 0.827 362 A CB 0.290 19.237 19.000 -0.089 0.000 1.136 362 A HN 0.738 nan 8.150 nan 0.000 0.493 363 F N 2.394 122.302 119.950 -0.070 0.000 2.404 363 F HA 0.387 4.915 4.527 0.001 0.000 0.359 363 F C -2.085 173.665 175.800 -0.083 0.000 1.134 363 F CA -2.553 55.413 58.000 -0.057 0.000 1.160 363 F CB 0.958 39.942 39.000 -0.026 0.000 1.186 363 F HN 0.236 nan 8.300 nan 0.000 0.526 364 P HA 0.113 nan 4.420 nan 0.000 0.268 364 P C -0.766 176.535 177.300 0.002 0.000 1.204 364 P CA 0.069 63.200 63.100 0.051 0.000 0.768 364 P CB 0.591 32.310 31.700 0.032 0.000 0.842 365 T N 1.664 116.142 114.554 -0.127 0.000 2.792 365 T HA 0.374 4.724 4.350 0.001 0.000 0.280 365 T C -0.215 174.332 174.700 -0.256 0.000 0.990 365 T CA -0.428 61.522 62.100 -0.249 0.000 0.960 365 T CB 0.763 69.337 68.868 -0.489 0.000 0.939 365 T HN 0.150 nan 8.240 nan 0.000 0.439 366 S N 2.459 118.065 115.700 -0.156 0.000 2.433 366 S HA 0.722 5.192 4.470 0.001 0.000 0.310 366 S C -0.520 174.040 174.600 -0.066 0.000 1.097 366 S CA -0.460 57.684 58.200 -0.093 0.000 1.103 366 S CB 0.578 63.747 63.200 -0.052 0.000 0.992 366 S HN 0.736 nan 8.310 nan 0.000 0.469 367 S N 3.063 118.753 115.700 -0.016 0.000 2.565 367 S HA 0.774 5.244 4.470 0.001 0.000 0.269 367 S C -0.594 174.052 174.600 0.076 0.000 1.153 367 S CA 0.293 58.528 58.200 0.059 0.000 0.835 367 S CB 1.196 64.495 63.200 0.166 0.000 1.122 367 S HN 1.963 nan 8.310 nan 0.000 0.462 368 G N 1.068 109.909 108.800 0.067 0.000 2.768 368 G HA2 0.447 4.408 3.960 0.001 0.000 0.666 368 G HA3 0.447 4.408 3.960 0.001 0.000 0.666 368 G C 0.927 175.835 174.900 0.014 0.000 1.162 368 G CA 0.425 45.558 45.100 0.056 0.000 1.226 368 G HN 2.202 nan 8.290 nan 0.000 0.535 369 G N -0.337 108.462 108.800 -0.002 0.000 2.160 369 G HA2 -0.127 3.834 3.960 0.001 0.000 0.244 369 G HA3 -0.127 3.834 3.960 0.001 0.000 0.244 369 G C 0.495 175.354 174.900 -0.068 0.000 1.022 369 G CA 0.527 45.611 45.100 -0.026 0.000 0.741 369 G HN 1.425 nan 8.290 nan 0.000 0.508 370 L N 0.232 121.395 121.223 -0.101 0.000 2.357 370 L HA 0.788 5.128 4.340 0.001 0.000 0.273 370 L C 0.806 177.534 176.870 -0.236 0.000 1.080 370 L CA -0.822 53.904 54.840 -0.190 0.000 0.803 370 L CB 1.141 43.120 42.059 -0.134 0.000 1.174 370 L HN 0.621 nan 8.230 nan 0.000 0.443 371 H N -0.218 118.688 119.070 -0.273 0.000 2.933 371 H HA 0.377 4.933 4.556 0.001 0.000 0.310 371 H C -2.645 172.579 175.328 -0.174 0.000 1.351 371 H CA -1.853 53.971 56.048 -0.373 0.000 1.137 371 H CB 0.512 29.824 29.762 -0.750 0.000 1.853 371 H HN 0.107 nan 8.280 nan 0.000 0.539 372 P HA -0.033 nan 4.420 nan 0.000 0.221 372 P C 1.307 178.643 177.300 0.059 0.000 1.145 372 P CA 2.235 65.366 63.100 0.051 0.000 0.795 372 P CB -0.082 31.705 31.700 0.145 0.000 0.775 373 G N -0.377 108.548 108.800 0.208 0.000 2.880 373 G HA2 -0.107 3.853 3.960 0.001 0.000 0.209 373 G HA3 -0.107 3.853 3.960 0.001 0.000 0.209 373 G C 0.847 175.792 174.900 0.075 0.000 1.157 373 G CA 0.157 45.316 45.100 0.098 0.000 0.779 373 G HN 0.350 nan 8.290 nan 0.000 0.539 374 N N 0.217 118.729 118.700 -0.314 0.000 2.240 374 N HA 0.056 4.796 4.740 0.001 0.000 0.240 374 N C 1.406 176.802 175.510 -0.190 0.000 1.277 374 N CA -0.245 52.661 53.050 -0.240 0.000 0.873 374 N CB -0.496 37.763 38.487 -0.379 0.000 1.222 374 N HN 0.432 nan 8.380 nan 0.000 0.507 375 I N -4.122 116.354 120.570 -0.157 0.000 3.226 375 I HA 0.142 4.312 4.170 0.001 0.000 0.277 375 I C 2.158 178.230 176.117 -0.075 0.000 1.243 375 I CA 0.569 61.798 61.300 -0.119 0.000 1.459 375 I CB -0.642 37.281 38.000 -0.128 0.000 1.093 375 I HN 0.103 nan 8.210 nan 0.000 0.453 376 Q N 2.636 122.406 119.800 -0.051 0.000 2.030 376 Q HA -0.099 4.241 4.340 0.001 0.000 0.204 376 Q C 0.196 176.174 176.000 -0.038 0.000 0.986 376 Q CA 2.296 58.075 55.803 -0.039 0.000 0.843 376 Q CB -2.730 25.995 28.738 -0.021 0.000 0.904 376 Q HN 0.479 nan 8.270 nan 0.000 0.420 377 P HA -0.138 nan 4.420 nan 0.000 0.215 377 P C 1.592 178.874 177.300 -0.030 0.000 1.157 377 P CA 1.696 64.778 63.100 -0.031 0.000 0.874 377 P CB -0.198 31.484 31.700 -0.030 0.000 0.790 378 V N -0.102 119.789 119.914 -0.038 0.000 2.255 378 V HA -0.245 3.876 4.120 0.001 0.000 0.247 378 V C 2.414 178.494 176.094 -0.024 0.000 1.051 378 V CA 1.757 64.037 62.300 -0.033 0.000 1.018 378 V CB -1.239 30.558 31.823 -0.044 0.000 0.641 378 V HN 0.057 nan 8.190 nan 0.000 0.445 379 I N 0.119 120.672 120.570 -0.029 0.000 2.361 379 I HA -0.245 3.926 4.170 0.001 0.000 0.251 379 I C 2.594 178.702 176.117 -0.015 0.000 1.133 379 I CA 1.891 63.178 61.300 -0.021 0.000 1.413 379 I CB -0.371 37.610 38.000 -0.031 0.000 1.073 379 I HN 0.490 nan 8.210 nan 0.000 0.424 380 E N 1.516 121.704 120.200 -0.019 0.000 2.152 380 E HA -0.168 4.182 4.350 0.001 0.000 0.192 380 E C 2.231 178.826 176.600 -0.008 0.000 0.983 380 E CA 1.097 57.488 56.400 -0.015 0.000 0.818 380 E CB 0.094 29.782 29.700 -0.019 0.000 0.758 380 E HN 0.460 nan 8.360 nan 0.000 0.467 381 A N 0.707 123.522 122.820 -0.007 0.000 1.935 381 A HA 0.042 4.362 4.320 0.001 0.000 0.214 381 A C 2.017 179.604 177.584 0.005 0.000 1.178 381 A CA 0.645 52.681 52.037 -0.001 0.000 0.640 381 A CB -0.141 18.858 19.000 -0.001 0.000 0.825 381 A HN 0.293 nan 8.150 nan 0.000 0.447 382 L N -1.806 119.419 121.223 0.004 0.000 2.556 382 L HA 0.368 4.708 4.340 0.001 0.000 0.226 382 L C 1.301 178.180 176.870 0.016 0.000 1.089 382 L CA 0.340 55.187 54.840 0.011 0.000 0.864 382 L CB -0.485 41.580 42.059 0.010 0.000 1.067 382 L HN 0.598 nan 8.230 nan 0.000 0.477 383 G N 0.908 109.715 108.800 0.011 0.000 2.698 383 G HA2 -0.298 3.663 3.960 0.001 0.000 0.225 383 G HA3 -0.298 3.663 3.960 0.001 0.000 0.225 383 G C 0.531 175.447 174.900 0.026 0.000 1.345 383 G CA -0.003 45.105 45.100 0.014 0.000 0.871 383 G HN 0.190 nan 8.290 nan 0.000 0.540 384 T N -3.089 111.485 114.554 0.033 0.000 3.067 384 T HA 0.204 4.554 4.350 0.001 0.000 0.257 384 T C 0.831 175.597 174.700 0.109 0.000 1.105 384 T CA 1.516 63.646 62.100 0.051 0.000 1.104 384 T CB 0.198 69.089 68.868 0.039 0.000 0.925 384 T HN 0.401 nan 8.240 nan 0.000 0.498 385 D N 2.558 123.027 120.400 0.114 0.000 2.845 385 D HA 0.362 5.002 4.640 0.001 0.000 0.235 385 D C 0.095 176.599 176.300 0.340 0.000 1.158 385 D CA -0.199 53.920 54.000 0.199 0.000 0.990 385 D CB -0.386 40.433 40.800 0.032 0.000 1.094 385 D HN 0.732 nan 8.370 nan 0.000 0.486 386 I N -3.328 117.449 120.570 0.346 0.000 3.095 386 I HA 0.565 4.736 4.170 0.001 0.000 0.310 386 I C -0.778 175.310 176.117 -0.048 0.000 1.196 386 I CA -1.259 60.171 61.300 0.216 0.000 0.985 386 I CB 2.028 40.075 38.000 0.078 0.000 1.250 386 I HN -0.381 nan 8.210 nan 0.000 0.446 387 V N 4.014 123.802 119.914 -0.210 0.000 2.394 387 V HA 0.456 4.576 4.120 0.001 0.000 0.282 387 V C 0.009 176.069 176.094 -0.058 0.000 1.031 387 V CA -0.440 61.713 62.300 -0.244 0.000 0.881 387 V CB 1.406 33.023 31.823 -0.342 0.000 0.982 387 V HN 0.466 nan 8.190 nan 0.000 0.451 388 L N 4.575 125.823 121.223 0.042 0.000 2.317 388 L HA 0.582 4.923 4.340 0.001 0.000 0.281 388 L C -0.135 176.834 176.870 0.164 0.000 1.024 388 L CA -0.302 54.582 54.840 0.074 0.000 0.810 388 L CB 1.610 43.704 42.059 0.059 0.000 1.240 388 L HN 0.525 nan 8.230 nan 0.000 0.427 389 Q N 4.096 123.970 119.800 0.125 0.000 2.327 389 Q HA 0.431 4.771 4.340 0.001 0.000 0.270 389 Q C -1.787 174.273 176.000 0.099 0.000 1.022 389 Q CA -0.752 55.138 55.803 0.144 0.000 0.773 389 Q CB 1.875 30.739 28.738 0.211 0.000 1.251 389 Q HN 0.428 nan 8.270 nan 0.000 0.457 390 L N 3.861 125.152 121.223 0.113 0.000 2.353 390 L HA 0.498 4.838 4.340 0.001 0.000 0.270 390 L C 0.904 177.801 176.870 0.046 0.000 1.003 390 L CA -0.097 54.785 54.840 0.068 0.000 0.862 390 L CB 1.731 43.833 42.059 0.071 0.000 1.221 390 L HN 0.772 nan 8.230 nan 0.000 0.430 391 G N 1.661 110.474 108.800 0.021 0.000 2.670 391 G HA2 0.097 4.057 3.960 0.001 0.000 0.219 391 G HA3 0.097 4.057 3.960 0.001 0.000 0.219 391 G C 1.283 176.189 174.900 0.009 0.000 1.342 391 G CA 0.568 45.681 45.100 0.021 0.000 0.902 391 G HN 0.690 nan 8.290 nan 0.000 0.553 392 G N 0.671 109.469 108.800 -0.003 0.000 2.475 392 G HA2 0.029 3.990 3.960 0.001 0.000 0.220 392 G HA3 0.029 3.990 3.960 0.001 0.000 0.220 392 G C 1.670 176.520 174.900 -0.084 0.000 1.125 392 G CA 1.436 46.535 45.100 -0.003 0.000 0.755 392 G HN 0.724 nan 8.290 nan 0.000 0.565 393 G N -0.786 107.873 108.800 -0.234 0.000 2.679 393 G HA2 0.117 4.077 3.960 0.001 0.000 0.212 393 G HA3 0.117 4.077 3.960 0.001 0.000 0.212 393 G C 1.510 176.303 174.900 -0.178 0.000 1.137 393 G CA 1.557 46.341 45.100 -0.527 0.000 0.787 393 G HN 0.419 nan 8.290 nan 0.000 0.534 394 T N 0.364 114.939 114.554 0.036 0.000 3.087 394 T HA 0.154 4.504 4.350 0.001 0.000 0.237 394 T C 2.156 176.977 174.700 0.203 0.000 0.990 394 T CA -0.200 61.992 62.100 0.153 0.000 1.160 394 T CB 0.001 68.947 68.868 0.130 0.000 0.923 394 T HN -0.033 nan 8.240 nan 0.000 0.442 395 L N 1.619 122.925 121.223 0.138 0.000 2.141 395 L HA 0.100 4.440 4.340 0.001 0.000 0.209 395 L C 2.627 179.621 176.870 0.207 0.000 1.094 395 L CA 1.688 56.602 54.840 0.125 0.000 0.763 395 L CB -1.709 40.389 42.059 0.064 0.000 0.908 395 L HN 0.392 nan 8.230 nan 0.000 0.437 396 G N -2.218 106.781 108.800 0.332 0.000 2.920 396 G HA2 -0.145 3.815 3.960 0.001 0.000 0.208 396 G HA3 -0.145 3.815 3.960 0.001 0.000 0.208 396 G C 0.768 175.905 174.900 0.396 0.000 1.159 396 G CA -0.261 45.101 45.100 0.436 0.000 0.784 396 G HN 0.366 nan 8.290 nan 0.000 0.535 397 H N 1.777 121.059 119.070 0.352 0.000 3.038 397 H HA 0.016 4.572 4.556 0.001 0.000 0.338 397 H C -1.021 174.245 175.328 -0.103 0.000 1.041 397 H CA -0.812 55.271 56.048 0.058 0.000 1.394 397 H CB 1.822 31.669 29.762 0.142 0.000 1.357 397 H HN 0.040 nan 8.280 nan 0.000 0.600 398 P HA -0.098 nan 4.420 nan 0.000 0.220 398 P C 0.209 177.518 177.300 0.016 0.000 1.148 398 P CA 1.022 63.978 63.100 -0.241 0.000 0.803 398 P CB 0.463 31.922 31.700 -0.400 0.000 0.782 399 D N -0.446 120.152 120.400 0.331 0.000 2.388 399 D HA 0.326 4.966 4.640 0.001 0.000 0.221 399 D C 1.160 177.532 176.300 0.121 0.000 1.133 399 D CA 0.453 54.578 54.000 0.207 0.000 0.831 399 D CB 0.203 41.123 40.800 0.200 0.000 0.962 399 D HN 0.156 nan 8.370 nan 0.000 0.502 400 G N 1.273 110.159 108.800 0.144 0.000 2.707 400 G HA2 -0.197 3.764 3.960 0.001 0.000 0.686 400 G HA3 -0.197 3.764 3.960 0.001 0.000 0.686 400 G C -2.167 172.754 174.900 0.036 0.000 1.315 400 G CA -0.882 44.255 45.100 0.063 0.000 0.832 400 G HN -0.098 nan 8.290 nan 0.000 0.573 401 P HA -0.019 nan 4.420 nan 0.000 0.215 401 P C 2.369 179.637 177.300 -0.053 0.000 1.157 401 P CA 3.002 66.104 63.100 0.003 0.000 0.868 401 P CB -0.080 31.608 31.700 -0.020 0.000 0.788 402 A N 0.170 122.945 122.820 -0.075 0.000 1.892 402 A HA -0.202 4.119 4.320 0.001 0.000 0.218 402 A C 2.352 179.856 177.584 -0.133 0.000 1.188 402 A CA 2.488 54.466 52.037 -0.098 0.000 0.631 402 A CB -1.711 17.235 19.000 -0.090 0.000 0.822 402 A HN 0.211 nan 8.150 nan 0.000 0.447 403 A N -0.752 121.951 122.820 -0.195 0.000 2.015 403 A HA 0.181 4.502 4.320 0.001 0.000 0.219 403 A C 2.343 179.612 177.584 -0.524 0.000 1.163 403 A CA 1.748 53.578 52.037 -0.344 0.000 0.646 403 A CB -1.210 17.544 19.000 -0.411 0.000 0.806 403 A HN 0.732 nan 8.150 nan 0.000 0.448 404 G N -0.393 108.161 108.800 -0.410 0.000 2.402 404 G HA2 0.023 3.984 3.960 0.001 0.000 0.216 404 G HA3 0.023 3.984 3.960 0.001 0.000 0.216 404 G C 1.717 176.602 174.900 -0.025 0.000 1.162 404 G CA 1.278 46.295 45.100 -0.139 0.000 0.777 404 G HN 0.736 nan 8.290 nan 0.000 0.539 405 A N 0.867 123.681 122.820 -0.011 0.000 1.902 405 A HA 0.007 4.327 4.320 0.001 0.000 0.217 405 A C 2.452 180.039 177.584 0.006 0.000 1.181 405 A CA 1.526 53.613 52.037 0.083 0.000 0.623 405 A CB -0.335 18.698 19.000 0.055 0.000 0.818 405 A HN 0.358 nan 8.150 nan 0.000 0.443 406 R N -0.540 119.933 120.500 -0.046 0.000 2.090 406 R HA 0.006 4.347 4.340 0.001 0.000 0.228 406 R C 2.485 178.764 176.300 -0.034 0.000 1.110 406 R CA 0.991 57.069 56.100 -0.037 0.000 0.973 406 R CB -0.464 29.813 30.300 -0.038 0.000 0.869 406 R HN 0.501 nan 8.270 nan 0.000 0.440 407 A N 0.987 123.780 122.820 -0.045 0.000 1.883 407 A HA -0.146 4.174 4.320 0.001 0.000 0.217 407 A C 2.371 179.937 177.584 -0.030 0.000 1.186 407 A CA 1.611 53.665 52.037 0.028 0.000 0.624 407 A CB -0.666 18.421 19.000 0.146 0.000 0.822 407 A HN 0.112 nan 8.150 nan 0.000 0.444 408 V N 0.166 120.000 119.914 -0.134 0.000 2.343 408 V HA -0.215 3.906 4.120 0.001 0.000 0.247 408 V C 2.694 178.573 176.094 -0.358 0.000 1.051 408 V CA 1.982 64.077 62.300 -0.343 0.000 1.036 408 V CB -0.796 30.557 31.823 -0.784 0.000 0.654 408 V HN 0.450 nan 8.190 nan 0.000 0.451 409 R N -0.099 120.238 120.500 -0.272 0.000 2.115 409 R HA -0.105 4.236 4.340 0.001 0.000 0.230 409 R C 2.219 178.443 176.300 -0.126 0.000 1.111 409 R CA 1.125 57.123 56.100 -0.170 0.000 0.976 409 R CB -0.522 29.739 30.300 -0.064 0.000 0.870 409 R HN 0.633 nan 8.270 nan 0.000 0.445 410 Q N 0.016 119.763 119.800 -0.087 0.000 2.046 410 Q HA -0.024 4.317 4.340 0.001 0.000 0.200 410 Q C 2.199 178.077 176.000 -0.204 0.000 0.975 410 Q CA 1.559 57.319 55.803 -0.072 0.000 0.836 410 Q CB -0.201 28.560 28.738 0.039 0.000 0.896 410 Q HN 0.321 nan 8.270 nan 0.000 0.428 411 A N 1.102 123.832 122.820 -0.149 0.000 1.892 411 A HA -0.222 4.099 4.320 0.001 0.000 0.218 411 A C 2.053 179.504 177.584 -0.221 0.000 1.188 411 A CA 1.395 53.334 52.037 -0.164 0.000 0.631 411 A CB -0.794 18.142 19.000 -0.106 0.000 0.822 411 A HN 0.331 nan 8.150 nan 0.000 0.447 412 I N -0.261 120.183 120.570 -0.211 0.000 2.179 412 I HA -0.253 3.917 4.170 0.001 0.000 0.242 412 I C 1.969 177.965 176.117 -0.202 0.000 1.088 412 I CA 1.612 62.803 61.300 -0.182 0.000 1.357 412 I CB -0.524 37.382 38.000 -0.157 0.000 1.051 412 I HN 0.289 nan 8.210 nan 0.000 0.409 413 D N 1.115 121.369 120.400 -0.242 0.000 2.097 413 D HA -0.163 4.477 4.640 0.001 0.000 0.195 413 D C 2.258 178.299 176.300 -0.431 0.000 0.989 413 D CA 1.615 55.455 54.000 -0.267 0.000 0.827 413 D CB -0.240 40.432 40.800 -0.213 0.000 0.966 413 D HN 0.346 nan 8.370 nan 0.000 0.456 414 A N 0.873 123.240 122.820 -0.754 0.000 1.908 414 A HA -0.172 4.149 4.320 0.001 0.000 0.218 414 A C 2.363 179.739 177.584 -0.348 0.000 1.181 414 A CA 1.096 52.639 52.037 -0.823 0.000 0.627 414 A CB -0.742 17.736 19.000 -0.869 0.000 0.818 414 A HN 0.245 nan 8.150 nan 0.000 0.445 415 I N -0.848 119.571 120.570 -0.253 0.000 2.546 415 I HA -0.165 4.005 4.170 0.001 0.000 0.255 415 I C 1.985 178.035 176.117 -0.112 0.000 1.163 415 I CA 0.634 61.847 61.300 -0.144 0.000 1.457 415 I CB -0.247 37.685 38.000 -0.114 0.000 1.092 415 I HN 0.246 nan 8.210 nan 0.000 0.434 416 M N 0.399 119.924 119.600 -0.125 0.000 2.630 416 M HA -0.090 4.391 4.480 0.001 0.000 0.254 416 M C 1.491 177.753 176.300 -0.063 0.000 1.092 416 M CA 1.273 56.525 55.300 -0.079 0.000 1.087 416 M CB -0.560 31.997 32.600 -0.071 0.000 1.453 416 M HN 0.465 nan 8.290 nan 0.000 0.509 417 Q N -1.545 118.207 119.800 -0.081 0.000 2.103 417 Q HA 0.383 4.724 4.340 0.001 0.000 0.219 417 Q C 0.680 176.659 176.000 -0.035 0.000 0.784 417 Q CA 0.405 56.181 55.803 -0.044 0.000 1.014 417 Q CB 0.417 29.139 28.738 -0.027 0.000 1.183 417 Q HN 0.386 nan 8.270 nan 0.000 0.469 418 G N 2.176 110.945 108.800 -0.051 0.000 2.225 418 G HA2 -0.238 3.722 3.960 0.001 0.000 0.264 418 G HA3 -0.238 3.722 3.960 0.001 0.000 0.264 418 G C -0.151 174.739 174.900 -0.016 0.000 1.060 418 G CA 0.146 45.227 45.100 -0.032 0.000 0.833 418 G HN 0.454 nan 8.290 nan 0.000 0.498 419 I N 1.148 121.699 120.570 -0.032 0.000 2.330 419 I HA 0.236 4.406 4.170 0.001 0.000 0.286 419 I C -1.847 174.285 176.117 0.025 0.000 1.025 419 I CA -2.345 58.972 61.300 0.028 0.000 1.197 419 I CB 1.326 39.396 38.000 0.118 0.000 1.358 419 I HN -0.139 nan 8.210 nan 0.000 0.467 420 P HA -0.122 nan 4.420 nan 0.000 0.261 420 P C 0.719 178.076 177.300 0.095 0.000 1.158 420 P CA 0.024 63.152 63.100 0.048 0.000 0.758 420 P CB 0.495 32.225 31.700 0.049 0.000 0.763 421 L N 3.149 124.432 121.223 0.100 0.000 2.042 421 L HA -0.192 4.148 4.340 0.001 0.000 0.210 421 L C 1.785 178.766 176.870 0.185 0.000 1.076 421 L CA 1.989 56.917 54.840 0.146 0.000 0.749 421 L CB -1.093 41.075 42.059 0.182 0.000 0.893 421 L HN 0.371 nan 8.230 nan 0.000 0.432 422 D N -0.519 119.988 120.400 0.178 0.000 2.219 422 D HA -0.120 4.521 4.640 0.001 0.000 0.205 422 D C 2.276 178.650 176.300 0.124 0.000 0.970 422 D CA 1.295 55.387 54.000 0.153 0.000 0.851 422 D CB 0.139 41.027 40.800 0.147 0.000 0.943 422 D HN 0.556 nan 8.370 nan 0.000 0.488 423 E N -0.284 119.993 120.200 0.129 0.000 2.250 423 E HA -0.082 4.269 4.350 0.001 0.000 0.192 423 E C 1.765 178.458 176.600 0.156 0.000 0.986 423 E CA 0.195 56.664 56.400 0.116 0.000 0.849 423 E CB -0.922 28.838 29.700 0.100 0.000 0.797 423 E HN 0.462 nan 8.360 nan 0.000 0.482 424 Y N 0.331 120.667 120.300 0.059 0.000 2.337 424 Y HA 0.260 4.810 4.550 0.001 0.000 0.293 424 Y C 2.700 178.696 175.900 0.159 0.000 1.123 424 Y CA 1.139 59.282 58.100 0.072 0.000 1.201 424 Y CB 0.066 38.505 38.460 -0.035 0.000 1.011 424 Y HN 0.316 nan 8.280 nan 0.000 0.545 425 A N 0.620 123.570 122.820 0.218 0.000 1.969 425 A HA -0.144 4.176 4.320 0.001 0.000 0.218 425 A C 2.237 179.879 177.584 0.097 0.000 1.169 425 A CA 1.861 53.999 52.037 0.167 0.000 0.635 425 A CB -1.141 17.939 19.000 0.134 0.000 0.810 425 A HN 0.418 nan 8.150 nan 0.000 0.445 426 K N -0.962 119.478 120.400 0.066 0.000 2.286 426 K HA -0.152 4.169 4.320 0.001 0.000 0.203 426 K C 1.711 178.294 176.600 -0.029 0.000 1.045 426 K CA 2.238 58.536 56.287 0.019 0.000 0.935 426 K CB -1.241 31.268 32.500 0.016 0.000 0.737 426 K HN 0.520 nan 8.250 nan 0.000 0.460 427 T N -0.656 113.866 114.554 -0.053 0.000 3.200 427 T HA 0.295 4.646 4.350 0.001 0.000 0.284 427 T C -1.037 173.368 174.700 -0.493 0.000 1.009 427 T CA -0.356 61.605 62.100 -0.232 0.000 0.907 427 T CB -0.252 68.440 68.868 -0.294 0.000 1.120 427 T HN 0.624 nan 8.240 nan 0.000 0.534 428 H N -0.088 118.909 119.070 -0.123 0.000 3.172 428 H HA 0.489 5.046 4.556 0.001 0.000 0.322 428 H C 0.913 176.237 175.328 -0.006 0.000 1.003 428 H CA -0.205 55.801 56.048 -0.069 0.000 1.466 428 H CB 1.477 31.207 29.762 -0.054 0.000 1.673 428 H HN 0.070 nan 8.280 nan 0.000 0.512 429 K N 2.268 122.702 120.400 0.058 0.000 1.991 429 K HA -0.194 4.127 4.320 0.001 0.000 0.212 429 K C 1.714 178.378 176.600 0.106 0.000 1.049 429 K CA 2.199 58.518 56.287 0.054 0.000 0.932 429 K CB -0.541 31.972 32.500 0.020 0.000 0.717 429 K HN 0.658 nan 8.250 nan 0.000 0.441 430 E N 0.295 120.565 120.200 0.118 0.000 2.065 430 E HA -0.187 4.163 4.350 0.001 0.000 0.201 430 E C 2.024 178.782 176.600 0.264 0.000 1.016 430 E CA 1.468 57.968 56.400 0.165 0.000 0.818 430 E CB -0.424 29.301 29.700 0.041 0.000 0.749 430 E HN 0.410 nan 8.360 nan 0.000 0.453 431 L N 0.570 121.909 121.223 0.193 0.000 1.989 431 L HA -0.158 4.182 4.340 0.001 0.000 0.211 431 L C 2.125 179.073 176.870 0.130 0.000 1.071 431 L CA 2.300 57.244 54.840 0.173 0.000 0.749 431 L CB -1.016 41.151 42.059 0.179 0.000 0.890 431 L HN 0.142 nan 8.230 nan 0.000 0.431 432 A N -0.528 122.358 122.820 0.111 0.000 1.917 432 A HA -0.229 4.092 4.320 0.001 0.000 0.219 432 A C 2.344 179.926 177.584 -0.003 0.000 1.182 432 A CA 1.784 53.853 52.037 0.053 0.000 0.633 432 A CB -0.581 18.445 19.000 0.043 0.000 0.819 432 A HN 0.477 nan 8.150 nan 0.000 0.448 433 R N -0.535 119.966 120.500 0.002 0.000 2.115 433 R HA -0.043 4.297 4.340 0.001 0.000 0.230 433 R C 2.408 178.517 176.300 -0.319 0.000 1.111 433 R CA 1.289 57.312 56.100 -0.129 0.000 0.976 433 R CB -0.987 29.277 30.300 -0.060 0.000 0.870 433 R HN 0.557 nan 8.270 nan 0.000 0.445 434 A N 1.480 124.191 122.820 -0.182 0.000 1.873 434 A HA -0.103 4.217 4.320 0.001 0.000 0.215 434 A C 2.186 179.702 177.584 -0.113 0.000 1.186 434 A CA 0.931 52.873 52.037 -0.159 0.000 0.616 434 A CB -0.410 18.737 19.000 0.245 0.000 0.823 434 A HN 0.070 nan 8.150 nan 0.000 0.442 435 L N 0.068 121.259 121.223 -0.053 0.000 2.042 435 L HA -0.210 4.131 4.340 0.001 0.000 0.210 435 L C 2.477 179.265 176.870 -0.136 0.000 1.076 435 L CA 2.294 57.078 54.840 -0.094 0.000 0.749 435 L CB -1.590 40.428 42.059 -0.069 0.000 0.893 435 L HN 0.676 nan 8.230 nan 0.000 0.432 436 E N 0.313 120.416 120.200 -0.161 0.000 2.118 436 E HA -0.284 4.067 4.350 0.001 0.000 0.195 436 E C 2.242 178.689 176.600 -0.255 0.000 0.992 436 E CA 1.735 58.029 56.400 -0.177 0.000 0.804 436 E CB 0.164 29.759 29.700 -0.175 0.000 0.741 436 E HN 0.434 nan 8.360 nan 0.000 0.458 437 K N -0.775 119.369 120.400 -0.427 0.000 2.078 437 K HA -0.063 4.258 4.320 0.001 0.000 0.203 437 K C 1.632 177.919 176.600 -0.522 0.000 1.043 437 K CA 1.011 56.927 56.287 -0.620 0.000 0.960 437 K CB 0.037 31.858 32.500 -1.132 0.000 0.761 437 K HN 0.201 nan 8.250 nan 0.000 0.448 438 W N 0.975 122.106 121.300 -0.282 0.000 3.107 438 W HA 0.274 4.935 4.660 0.001 0.000 0.293 438 W C 1.222 177.560 176.519 -0.302 0.000 1.239 438 W CA 0.490 57.583 57.345 -0.420 0.000 1.653 438 W CB -0.429 28.484 29.460 -0.911 0.000 1.068 438 W HN 0.493 nan 8.180 nan 0.000 0.615 439 G N 1.921 110.691 108.800 -0.049 0.000 2.665 439 G HA2 -0.347 3.613 3.960 0.001 0.000 0.326 439 G HA3 -0.347 3.613 3.960 0.001 0.000 0.326 439 G C 0.552 175.356 174.900 -0.160 0.000 1.231 439 G CA 1.371 46.420 45.100 -0.084 0.000 0.992 439 G HN 0.469 nan 8.290 nan 0.000 0.549 440 H N -0.079 119.111 119.070 0.201 0.000 2.885 440 H HA 0.511 5.067 4.556 0.001 0.000 0.254 440 H C 1.278 176.734 175.328 0.213 0.000 1.185 440 H CA 0.455 56.641 56.048 0.229 0.000 1.029 440 H CB -0.420 29.411 29.762 0.116 0.000 1.743 440 H HN 0.807 nan 8.280 nan 0.000 0.632 441 V N 2.056 122.148 119.914 0.297 0.000 2.963 441 V HA 0.188 4.309 4.120 0.001 0.000 0.306 441 V C 1.072 177.321 176.094 0.259 0.000 1.077 441 V CA 0.300 62.733 62.300 0.221 0.000 1.124 441 V CB 0.281 32.196 31.823 0.154 0.000 0.987 441 V HN 0.352 nan 8.190 nan 0.000 0.487 442 T N 2.641 117.286 114.554 0.151 0.000 2.770 442 T HA 0.620 4.970 4.350 0.001 0.000 0.297 442 T C -2.396 172.358 174.700 0.090 0.000 0.997 442 T CA -1.684 60.480 62.100 0.107 0.000 0.949 442 T CB 0.652 69.554 68.868 0.057 0.000 0.941 442 T HN 0.673 nan 8.240 nan 0.000 0.457 443 P HA 0.378 nan 4.420 nan 0.000 0.264 443 P C -0.610 176.718 177.300 0.047 0.000 1.183 443 P CA -0.289 62.850 63.100 0.065 0.000 0.763 443 P CB 0.608 32.337 31.700 0.048 0.000 0.807 444 V N 0.000 119.941 119.914 0.044 0.000 2.409 444 V HA 0.000 4.120 4.120 0.001 0.000 0.244 444 V CA 0.000 62.321 62.300 0.036 0.000 1.235 444 V CB 0.000 31.844 31.823 0.035 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556