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 1adb_1_A DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.606 174.600 0.011 0.000 1.055 1 S CA 0.000 58.246 58.200 0.076 0.000 1.107 1 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 2 T N 1.782 116.351 114.554 0.026 0.000 2.698 2 T HA 0.099 nan 4.350 nan 0.000 0.295 2 T C -0.916 173.760 174.700 -0.040 0.000 1.007 2 T CA -0.373 61.733 62.100 0.009 0.000 0.980 2 T CB 0.357 69.237 68.868 0.021 0.000 1.036 2 T HN -0.120 8.142 8.240 0.036 0.000 0.526 3 A N 1.824 124.623 122.820 -0.034 0.000 2.429 3 A HA 0.171 nan 4.320 nan 0.000 0.295 3 A C -1.749 175.816 177.584 -0.031 0.000 1.032 3 A CA 0.487 52.497 52.037 -0.045 0.000 0.572 3 A CB 0.749 19.699 19.000 -0.082 0.000 1.487 3 A HN 0.253 8.387 8.150 -0.016 0.006 0.632 4 G N -3.118 105.662 108.800 -0.034 0.000 3.941 4 G HA2 0.037 nan 3.960 nan 0.000 0.222 4 G HA3 0.037 nan 3.960 nan 0.000 0.222 4 G C -1.008 173.875 174.900 -0.029 0.000 1.118 4 G CA 0.572 45.657 45.100 -0.026 0.000 0.880 4 G HN 0.217 8.484 8.290 -0.039 0.000 0.546 5 K N -1.289 119.088 120.400 -0.037 0.000 2.250 5 K HA 0.341 nan 4.320 nan 0.000 0.261 5 K C -0.701 175.870 176.600 -0.048 0.000 1.047 5 K CA -1.554 54.712 56.287 -0.035 0.000 0.884 5 K CB 2.275 34.760 32.500 -0.026 0.000 1.476 5 K HN -0.671 7.552 8.250 -0.045 0.000 0.445 6 V N 0.778 120.670 119.914 -0.037 0.000 2.790 6 V HA -0.107 nan 4.120 nan 0.000 0.304 6 V C -0.050 176.003 176.094 -0.069 0.000 1.142 6 V CA 1.454 63.731 62.300 -0.039 0.000 1.282 6 V CB -0.616 31.198 31.823 -0.015 0.000 0.877 6 V HN 0.159 8.334 8.190 -0.026 0.000 0.504 7 I N 7.590 128.101 120.570 -0.097 0.000 2.418 7 I HA 0.228 nan 4.170 nan 0.000 0.287 7 I C -1.409 174.656 176.117 -0.086 0.000 1.008 7 I CA -0.910 60.293 61.300 -0.161 0.000 1.104 7 I CB 3.080 40.847 38.000 -0.389 0.000 1.264 7 I HN 0.791 8.849 8.210 -0.077 0.107 0.438 8 K N 8.721 129.092 120.400 -0.048 0.000 2.234 8 K HA 0.588 nan 4.320 nan 0.000 0.277 8 K C -1.190 175.423 176.600 0.021 0.000 1.038 8 K CA -0.508 55.781 56.287 0.004 0.000 0.888 8 K CB -0.018 32.490 32.500 0.014 0.000 1.091 8 K HN 0.185 8.401 8.250 -0.057 0.000 0.467 9 C N 2.126 121.459 119.300 0.055 0.000 3.295 9 C HA 0.647 nan 4.460 nan 0.000 0.370 9 C C -2.041 173.013 174.990 0.106 0.000 1.974 9 C CA -3.388 55.688 59.018 0.097 0.000 1.282 9 C CB 3.815 31.653 27.740 0.163 0.000 2.380 9 C HN 0.921 9.185 8.230 0.058 0.000 0.443 10 K N -0.095 120.387 120.400 0.136 0.000 2.166 10 K HA 0.809 nan 4.320 nan 0.000 0.245 10 K C -1.865 174.864 176.600 0.215 0.000 0.967 10 K CA -1.094 55.297 56.287 0.174 0.000 0.863 10 K CB 2.539 35.171 32.500 0.219 0.000 1.107 10 K HN -0.078 8.420 8.250 0.148 -0.160 0.436 11 A N 1.094 124.071 122.820 0.262 0.000 2.544 11 A HA 0.631 nan 4.320 nan 0.000 0.291 11 A C -2.902 174.819 177.584 0.229 0.000 1.055 11 A CA -0.053 52.175 52.037 0.318 0.000 0.651 11 A CB 3.880 22.910 19.000 0.050 0.000 1.296 11 A HN 0.588 8.865 8.150 0.213 0.000 0.431 12 A N -0.626 122.340 122.820 0.242 0.000 2.256 12 A HA 0.825 nan 4.320 nan 0.000 0.317 12 A C -1.672 175.990 177.584 0.131 0.000 1.318 12 A CA -1.402 50.702 52.037 0.112 0.000 0.894 12 A CB 0.835 19.802 19.000 -0.056 0.000 1.165 12 A HN -0.025 8.368 8.150 0.404 0.000 0.525 13 V N 2.775 122.670 119.914 -0.032 0.000 2.427 13 V HA 0.594 nan 4.120 nan 0.000 0.286 13 V C -1.028 174.873 176.094 -0.323 0.000 1.034 13 V CA -1.477 60.643 62.300 -0.300 0.000 0.893 13 V CB 1.424 32.790 31.823 -0.761 0.000 0.982 13 V HN 0.663 8.835 8.190 -0.030 0.000 0.452 14 L N 4.403 125.445 121.223 -0.302 0.000 2.264 14 L HA 0.458 nan 4.340 nan 0.000 0.287 14 L C -0.636 176.084 176.870 -0.251 0.000 1.039 14 L CA -0.867 53.769 54.840 -0.340 0.000 0.829 14 L CB 0.961 42.781 42.059 -0.397 0.000 1.211 14 L HN 0.517 8.607 8.230 -0.234 0.000 0.427 15 W N 4.228 125.474 121.300 -0.090 0.000 2.480 15 W HA -0.172 nan 4.660 nan 0.000 0.299 15 W C -0.858 175.630 176.519 -0.052 0.000 1.187 15 W CA 1.509 58.827 57.345 -0.045 0.000 1.347 15 W CB 0.674 30.111 29.460 -0.038 0.000 1.121 15 W HN 0.412 8.604 8.180 0.021 0.000 0.533 16 E N -4.622 115.661 120.200 0.139 0.000 2.340 16 E HA 0.226 nan 4.350 nan 0.000 0.273 16 E C -1.522 175.052 176.600 -0.042 0.000 0.891 16 E CA -1.825 54.604 56.400 0.048 0.000 0.757 16 E CB 2.382 32.112 29.700 0.050 0.000 1.231 16 E HN -0.491 7.937 8.360 0.114 0.000 0.439 17 E N -0.087 120.086 120.200 -0.045 0.000 2.422 17 E HA -0.216 nan 4.350 nan 0.000 0.260 17 E C 0.151 176.705 176.600 -0.077 0.000 1.108 17 E CA 0.251 56.605 56.400 -0.077 0.000 0.943 17 E CB 0.078 29.752 29.700 -0.042 0.000 0.961 17 E HN 0.184 8.535 8.360 -0.016 0.000 0.443 18 K N -3.749 116.596 120.400 -0.091 0.000 3.035 18 K HA -0.506 nan 4.320 nan 0.000 0.262 18 K C -1.171 175.379 176.600 -0.084 0.000 1.024 18 K CA 1.021 57.265 56.287 -0.071 0.000 0.748 18 K CB -1.248 31.231 32.500 -0.035 0.000 1.247 18 K HN 0.585 8.659 8.250 -0.105 0.113 0.482 19 K N -2.124 118.193 120.400 -0.139 0.000 2.502 19 K HA 0.391 nan 4.320 nan 0.000 0.257 19 K C -2.771 173.688 176.600 -0.235 0.000 0.938 19 K CA -2.964 53.243 56.287 -0.133 0.000 0.819 19 K CB 2.155 34.602 32.500 -0.088 0.000 1.333 19 K HN -0.492 7.623 8.250 -0.196 0.018 0.434 20 P HA -0.056 nan 4.420 nan 0.000 0.271 20 P C -1.334 175.824 177.300 -0.238 0.000 1.238 20 P CA -0.191 62.816 63.100 -0.155 0.000 0.794 20 P CB 0.552 32.227 31.700 -0.042 0.000 0.959 21 F N -1.853 117.993 119.950 -0.174 0.000 2.389 21 F HA 0.008 nan 4.527 nan 0.000 0.337 21 F C -0.097 175.649 175.800 -0.090 0.000 1.112 21 F CA 0.177 58.081 58.000 -0.161 0.000 1.192 21 F CB 1.128 39.987 39.000 -0.235 0.000 1.185 21 F HN -0.257 8.187 8.300 0.240 0.000 0.552 22 S N 1.607 117.380 115.700 0.122 0.000 2.433 22 S HA 0.246 nan 4.470 nan 0.000 0.310 22 S C -1.388 173.265 174.600 0.089 0.000 1.097 22 S CA -1.900 56.379 58.200 0.131 0.000 1.103 22 S CB 0.589 63.959 63.200 0.282 0.000 0.992 22 S HN 0.522 8.882 8.310 0.083 0.000 0.469 23 I N 7.678 128.276 120.570 0.046 0.000 2.337 23 I HA 0.366 nan 4.170 nan 0.000 0.291 23 I C -0.382 175.781 176.117 0.077 0.000 1.046 23 I CA -0.812 60.501 61.300 0.023 0.000 1.324 23 I CB -1.613 36.352 38.000 -0.058 0.000 1.409 23 I HN 0.575 8.807 8.210 0.037 0.000 0.494 24 E N 5.439 125.700 120.200 0.102 0.000 2.435 24 E HA 0.363 nan 4.350 nan 0.000 0.272 24 E C -2.158 174.508 176.600 0.110 0.000 1.031 24 E CA -1.956 54.513 56.400 0.116 0.000 0.872 24 E CB 2.271 32.066 29.700 0.159 0.000 1.588 24 E HN 0.798 9.218 8.360 0.100 0.000 0.460 25 E N -0.453 119.810 120.200 0.106 0.000 2.174 25 E HA 0.530 nan 4.350 nan 0.000 0.282 25 E C -0.844 175.806 176.600 0.084 0.000 0.992 25 E CA -0.546 55.909 56.400 0.092 0.000 0.803 25 E CB 0.343 30.093 29.700 0.083 0.000 1.090 25 E HN 0.135 8.562 8.360 0.112 0.000 0.396 26 V N -0.539 119.415 119.914 0.066 0.000 3.019 26 V HA 0.858 nan 4.120 nan 0.000 0.317 26 V C -1.689 174.453 176.094 0.081 0.000 1.094 26 V CA -3.111 59.227 62.300 0.064 0.000 1.000 26 V CB 3.472 35.296 31.823 0.002 0.000 1.060 26 V HN 0.604 8.729 8.190 0.066 0.105 0.443 27 E N 1.315 121.577 120.200 0.104 0.000 2.133 27 E HA 0.578 nan 4.350 nan 0.000 0.274 27 E C -1.080 175.604 176.600 0.139 0.000 0.930 27 E CA -1.509 54.944 56.400 0.088 0.000 0.770 27 E CB 1.984 31.724 29.700 0.068 0.000 1.104 27 E HN -0.183 8.249 8.360 0.120 0.000 0.403 28 V N 5.374 125.356 119.914 0.114 0.000 2.370 28 V HA 0.439 nan 4.120 nan 0.000 0.279 28 V C -1.257 174.862 176.094 0.040 0.000 1.029 28 V CA -1.331 61.061 62.300 0.153 0.000 0.870 28 V CB 1.007 32.934 31.823 0.174 0.000 0.984 28 V HN 1.014 9.130 8.190 0.056 0.108 0.451 29 A N 8.695 131.527 122.820 0.020 0.000 2.322 29 A HA 0.550 nan 4.320 nan 0.000 0.269 29 A C -2.510 175.063 177.584 -0.018 0.000 1.094 29 A CA -2.641 49.391 52.037 -0.009 0.000 0.807 29 A CB -0.351 18.640 19.000 -0.016 0.000 1.047 29 A HN -0.187 7.973 8.150 0.016 0.000 0.487 30 P HA 0.150 nan 4.420 nan 0.000 0.267 30 P C -1.814 175.475 177.300 -0.018 0.000 1.200 30 P CA -1.268 61.819 63.100 -0.023 0.000 0.772 30 P CB -0.698 30.986 31.700 -0.026 0.000 0.855 31 P HA 0.023 nan 4.420 nan 0.000 0.271 31 P C -0.719 176.569 177.300 -0.021 0.000 1.220 31 P CA -0.609 62.485 63.100 -0.010 0.000 0.768 31 P CB 0.404 32.106 31.700 0.004 0.000 0.848 32 K N 4.252 124.637 120.400 -0.025 0.000 2.679 32 K HA 0.006 nan 4.320 nan 0.000 0.280 32 K C -0.277 176.293 176.600 -0.050 0.000 1.040 32 K CA -0.636 55.630 56.287 -0.035 0.000 1.002 32 K CB 0.790 33.271 32.500 -0.031 0.000 1.276 32 K HN 0.344 8.914 8.250 -0.022 -0.333 0.492 33 A N -1.995 120.778 122.820 -0.078 0.000 2.511 33 A HA -0.133 nan 4.320 nan 0.000 0.242 33 A C 0.030 177.553 177.584 -0.100 0.000 1.069 33 A CA 0.741 52.669 52.037 -0.183 0.000 0.763 33 A CB -0.500 18.354 19.000 -0.244 0.000 1.001 33 A HN 0.203 8.315 8.150 -0.064 0.000 0.498 34 H N -0.930 118.131 119.070 -0.015 0.000 2.899 34 H HA -0.464 nan 4.556 nan 0.000 0.282 34 H C -1.086 174.232 175.328 -0.017 0.000 1.198 34 H CA 1.599 57.638 56.048 -0.015 0.000 1.140 34 H CB -2.235 27.516 29.762 -0.019 0.000 1.317 34 H HN 0.778 8.783 8.280 -0.276 0.109 0.375 35 E N -3.755 116.483 120.200 0.064 0.000 2.299 35 E HA 0.854 nan 4.350 nan 0.000 0.265 35 E C -2.252 174.366 176.600 0.031 0.000 0.911 35 E CA -1.548 54.875 56.400 0.038 0.000 0.789 35 E CB 4.482 34.190 29.700 0.014 0.000 1.246 35 E HN -0.721 7.629 8.360 0.024 0.025 0.427 36 V N -0.149 119.785 119.914 0.034 0.000 2.686 36 V HA 0.516 nan 4.120 nan 0.000 0.306 36 V C -1.777 174.346 176.094 0.048 0.000 1.065 36 V CA -1.202 61.119 62.300 0.036 0.000 0.894 36 V CB 3.056 34.900 31.823 0.034 0.000 1.004 36 V HN 0.864 9.075 8.190 0.035 0.000 0.424 37 R N 5.941 126.475 120.500 0.057 0.000 2.312 37 R HA 0.886 nan 4.340 nan 0.000 0.311 37 R C -1.473 174.891 176.300 0.107 0.000 1.004 37 R CA -1.182 54.973 56.100 0.092 0.000 0.902 37 R CB 2.259 32.609 30.300 0.083 0.000 1.073 37 R HN 0.555 8.853 8.270 0.047 0.000 0.457 38 I N 5.104 125.743 120.570 0.114 0.000 2.545 38 I HA 0.421 nan 4.170 nan 0.000 0.292 38 I C -2.107 173.959 176.117 -0.084 0.000 1.040 38 I CA -1.210 60.108 61.300 0.030 0.000 1.068 38 I CB 3.548 41.539 38.000 -0.016 0.000 1.251 38 I HN 0.881 9.173 8.210 0.137 0.000 0.424 39 K N 6.374 126.626 120.400 -0.246 0.000 2.262 39 K HA 0.309 nan 4.320 nan 0.000 0.282 39 K C -1.212 175.072 176.600 -0.527 0.000 1.066 39 K CA -1.711 54.160 56.287 -0.693 0.000 0.901 39 K CB 1.255 33.417 32.500 -0.563 0.000 1.089 39 K HN 0.756 8.826 8.250 -0.133 0.100 0.476 40 M N 6.298 125.454 119.600 -0.739 0.000 2.217 40 M HA 0.123 nan 4.480 nan 0.000 0.354 40 M C -0.002 175.930 176.300 -0.614 0.000 1.225 40 M CA 0.182 55.010 55.300 -0.786 0.000 1.137 40 M CB -0.317 31.428 32.600 -1.424 0.000 1.576 40 M HN 0.046 7.783 8.290 -0.921 0.000 0.461 41 V N 1.943 121.759 119.914 -0.165 0.000 3.013 41 V HA 0.364 nan 4.120 nan 0.000 0.238 41 V C -1.509 174.824 176.094 0.397 0.000 1.161 41 V CA 1.018 63.389 62.300 0.119 0.000 1.170 41 V CB 1.559 33.401 31.823 0.032 0.000 0.917 41 V HN 0.334 8.442 8.190 -0.137 0.000 0.478 42 A N -3.863 119.144 122.820 0.312 0.000 2.572 42 A HA 0.729 nan 4.320 nan 0.000 0.295 42 A C -2.937 174.810 177.584 0.271 0.000 1.072 42 A CA -0.462 51.733 52.037 0.263 0.000 0.691 42 A CB 3.031 22.095 19.000 0.107 0.000 1.291 42 A HN -0.480 7.777 8.150 0.177 0.000 0.404 43 T N -0.071 114.618 114.554 0.226 0.000 2.952 43 T HA 0.727 nan 4.350 nan 0.000 0.305 43 T C -0.686 174.086 174.700 0.119 0.000 1.064 43 T CA -1.116 61.119 62.100 0.225 0.000 1.008 43 T CB 3.251 72.366 68.868 0.412 0.000 1.078 43 T HN 0.388 8.707 8.240 0.131 0.000 0.459 44 G N 1.856 110.707 108.800 0.086 0.000 2.425 44 G HA2 0.804 nan 3.960 nan 0.000 0.302 44 G HA3 0.804 nan 3.960 nan 0.000 0.302 44 G C -1.287 173.623 174.900 0.016 0.000 1.159 44 G CA -1.917 43.194 45.100 0.019 0.000 0.865 44 G HN 0.571 8.912 8.290 0.085 0.000 0.515 45 I N 1.920 122.436 120.570 -0.090 0.000 2.307 45 I HA 0.033 nan 4.170 nan 0.000 0.287 45 I C -1.395 174.622 176.117 -0.166 0.000 1.054 45 I CA -0.606 60.571 61.300 -0.204 0.000 1.218 45 I CB -0.117 37.565 38.000 -0.529 0.000 1.398 45 I HN -0.391 7.754 8.210 -0.108 0.000 0.475 46 C N 7.866 127.129 119.300 -0.062 0.000 2.347 46 C HA 0.150 nan 4.460 nan 0.000 0.366 46 C C 1.058 176.054 174.990 0.009 0.000 1.241 46 C CA -1.824 57.200 59.018 0.009 0.000 2.360 46 C CB 2.151 29.955 27.740 0.107 0.000 2.290 46 C HN -0.036 8.374 8.230 0.004 -0.177 0.587 47 R N 1.749 122.235 120.500 -0.024 0.000 2.189 47 R HA -0.177 nan 4.340 nan 0.000 0.218 47 R C 1.742 177.865 176.300 -0.295 0.000 1.074 47 R CA 2.592 58.599 56.100 -0.155 0.000 0.991 47 R CB 0.022 30.197 30.300 -0.207 0.000 0.883 47 R HN 0.629 8.899 8.270 -0.001 0.000 0.457 48 S N -0.835 114.812 115.700 -0.088 0.000 2.423 48 S HA -0.247 nan 4.470 nan 0.000 0.231 48 S C 1.307 175.999 174.600 0.154 0.000 1.014 48 S CA 3.705 61.903 58.200 -0.003 0.000 0.965 48 S CB -0.169 63.004 63.200 -0.045 0.000 0.785 48 S HN -0.547 7.756 8.310 0.036 0.029 0.495 49 D N 0.277 120.836 120.400 0.266 0.000 2.224 49 D HA -0.111 nan 4.640 nan 0.000 0.205 49 D C 1.290 177.824 176.300 0.389 0.000 0.965 49 D CA 3.498 57.677 54.000 0.299 0.000 0.852 49 D CB -0.085 41.028 40.800 0.523 0.000 0.947 49 D HN -0.690 7.842 8.370 0.304 0.021 0.494 50 D N -0.681 119.956 120.400 0.395 0.000 2.149 50 D HA -0.168 nan 4.640 nan 0.000 0.201 50 D C 1.983 178.417 176.300 0.223 0.000 0.972 50 D CA 2.944 57.174 54.000 0.384 0.000 0.835 50 D CB 0.363 41.333 40.800 0.282 0.000 0.966 50 D HN -0.793 7.610 8.370 0.257 0.121 0.476 51 H N -0.913 118.245 119.070 0.148 0.000 2.387 51 H HA -0.214 nan 4.556 nan 0.000 0.299 51 H C 2.943 178.298 175.328 0.044 0.000 1.099 51 H CA 2.448 58.548 56.048 0.086 0.000 1.315 51 H CB -0.418 29.392 29.762 0.081 0.000 1.380 51 H HN -0.118 8.077 8.280 0.009 0.091 0.513 52 V N -0.451 119.547 119.914 0.139 0.000 2.261 52 V HA -0.314 nan 4.120 nan 0.000 0.246 52 V C 2.403 178.478 176.094 -0.032 0.000 1.047 52 V CA 4.372 66.668 62.300 -0.006 0.000 1.015 52 V CB -0.557 31.133 31.823 -0.222 0.000 0.642 52 V HN -0.458 7.723 8.190 0.149 0.099 0.446 53 V N -2.422 117.469 119.914 -0.037 0.000 2.626 53 V HA -0.331 nan 4.120 nan 0.000 0.252 53 V C 1.185 177.251 176.094 -0.047 0.000 1.067 53 V CA 3.728 65.955 62.300 -0.123 0.000 1.081 53 V CB -0.849 30.832 31.823 -0.236 0.000 0.686 53 V HN -0.564 7.563 8.190 0.030 0.081 0.468 54 S N -1.062 114.658 115.700 0.034 0.000 2.527 54 S HA -0.065 nan 4.470 nan 0.000 0.222 54 S C 0.942 175.558 174.600 0.027 0.000 0.985 54 S CA 1.791 60.018 58.200 0.045 0.000 0.921 54 S CB 0.630 63.892 63.200 0.105 0.000 0.772 54 S HN 0.079 8.326 8.310 0.083 0.114 0.529 55 G N -0.124 108.690 108.800 0.024 0.000 2.159 55 G HA2 -0.352 nan 3.960 nan 0.000 0.256 55 G HA3 -0.352 nan 3.960 nan 0.000 0.256 55 G C 0.958 175.863 174.900 0.010 0.000 0.977 55 G CA 0.932 46.040 45.100 0.012 0.000 0.652 55 G HN -0.485 7.656 8.290 0.029 0.166 0.531 56 T N 2.073 116.634 114.554 0.011 0.000 2.904 56 T HA -0.090 nan 4.350 nan 0.000 0.267 56 T C -0.838 173.831 174.700 -0.052 0.000 1.059 56 T CA 2.852 64.916 62.100 -0.060 0.000 1.137 56 T CB 0.322 69.079 68.868 -0.185 0.000 0.879 56 T HN -0.270 7.944 8.240 0.050 0.056 0.467 57 L N 1.575 122.815 121.223 0.029 0.000 2.295 57 L HA 0.426 nan 4.340 nan 0.000 0.281 57 L C -1.796 175.118 176.870 0.074 0.000 1.018 57 L CA -1.066 53.817 54.840 0.072 0.000 0.841 57 L CB 1.317 43.481 42.059 0.176 0.000 1.218 57 L HN -0.482 7.675 8.230 0.070 0.115 0.424 58 V N 7.256 127.202 119.914 0.053 0.000 2.427 58 V HA 0.114 nan 4.120 nan 0.000 0.268 58 V C -0.622 175.512 176.094 0.066 0.000 1.046 58 V CA 0.275 62.602 62.300 0.044 0.000 0.970 58 V CB -0.124 31.713 31.823 0.023 0.000 1.001 58 V HN 0.142 8.356 8.190 0.040 0.000 0.476 59 T N 8.143 122.736 114.554 0.065 0.000 2.956 59 T HA 0.477 nan 4.350 nan 0.000 0.312 59 T C -2.814 171.892 174.700 0.010 0.000 1.151 59 T CA -2.647 59.498 62.100 0.075 0.000 1.024 59 T CB 1.647 70.650 68.868 0.225 0.000 1.140 59 T HN 0.147 8.415 8.240 0.047 0.000 0.473 60 P HA 0.072 nan 4.420 nan 0.000 0.262 60 P C -1.359 175.942 177.300 0.002 0.000 1.199 60 P CA -0.131 62.871 63.100 -0.164 0.000 0.763 60 P CB 0.431 31.809 31.700 -0.537 0.000 0.790 61 L N 3.348 124.648 121.223 0.128 0.000 2.375 61 L HA 0.418 nan 4.340 nan 0.000 0.268 61 L C -1.142 175.911 176.870 0.306 0.000 1.058 61 L CA -2.890 52.065 54.840 0.192 0.000 0.803 61 L CB -0.097 42.019 42.059 0.096 0.000 1.212 61 L HN -0.002 8.280 8.230 0.086 0.000 0.451 62 P HA 0.304 nan 4.420 nan 0.000 0.275 62 P C -2.511 174.833 177.300 0.073 0.000 1.228 62 P CA -0.429 62.713 63.100 0.069 0.000 0.786 62 P CB 0.874 32.547 31.700 -0.044 0.000 0.927 63 V N 1.589 121.491 119.914 -0.020 0.000 3.078 63 V HA 0.711 nan 4.120 nan 0.000 0.311 63 V C -1.936 174.134 176.094 -0.041 0.000 1.138 63 V CA -2.105 60.226 62.300 0.051 0.000 1.007 63 V CB 4.570 36.449 31.823 0.093 0.000 1.045 63 V HN 0.404 8.530 8.190 -0.107 0.000 0.432 64 I N 5.940 126.515 120.570 0.008 0.000 2.359 64 I HA 0.399 nan 4.170 nan 0.000 0.284 64 I C -1.952 174.176 176.117 0.019 0.000 1.018 64 I CA -1.247 60.027 61.300 -0.044 0.000 1.173 64 I CB 1.176 39.002 38.000 -0.290 0.000 1.326 64 I HN 0.057 8.335 8.210 0.112 0.000 0.462 65 A N 5.395 128.177 122.820 -0.062 0.000 2.250 65 A HA 0.469 nan 4.320 nan 0.000 0.283 65 A C -1.129 176.020 177.584 -0.725 0.000 1.206 65 A CA -1.009 50.820 52.037 -0.346 0.000 0.840 65 A CB 1.300 20.043 19.000 -0.430 0.000 1.220 65 A HN 0.367 8.566 8.150 0.081 0.000 0.505 66 G N -2.880 105.525 108.800 -0.659 0.000 3.363 66 G HA2 -0.167 nan 3.960 nan 0.000 0.685 66 G HA3 -0.167 nan 3.960 nan 0.000 0.685 66 G C -0.954 173.960 174.900 0.024 0.000 1.199 66 G CA -0.324 44.331 45.100 -0.742 0.000 0.946 66 G HN -0.288 8.009 8.290 -0.200 -0.127 0.558 67 H N -0.885 118.186 119.070 0.002 0.000 3.255 67 H HA 0.154 nan 4.556 nan 0.000 0.256 67 H C -1.352 174.042 175.328 0.111 0.000 1.049 67 H CA -0.099 55.961 56.048 0.019 0.000 1.202 67 H CB 2.124 31.757 29.762 -0.214 0.000 1.497 67 H HN 0.310 8.475 8.280 -0.192 0.000 0.503 68 E N -0.275 119.758 120.200 -0.278 0.000 2.102 68 E HA 0.237 nan 4.350 nan 0.000 0.263 68 E C -2.441 174.181 176.600 0.036 0.000 0.894 68 E CA -1.631 54.733 56.400 -0.061 0.000 0.746 68 E CB 0.432 30.077 29.700 -0.091 0.000 1.129 68 E HN -0.117 7.989 8.360 -0.422 0.000 0.416 69 A N 3.739 126.604 122.820 0.074 0.000 2.557 69 A HA 0.840 nan 4.320 nan 0.000 0.292 69 A C -2.127 175.490 177.584 0.055 0.000 1.139 69 A CA -0.442 51.646 52.037 0.086 0.000 0.665 69 A CB 3.149 22.215 19.000 0.109 0.000 1.285 69 A HN 0.021 8.221 8.150 0.084 0.000 0.433 70 A N -2.694 120.150 122.820 0.039 0.000 2.547 70 A HA 0.789 nan 4.320 nan 0.000 0.297 70 A C -2.366 175.205 177.584 -0.021 0.000 1.056 70 A CA -0.575 51.468 52.037 0.010 0.000 0.688 70 A CB 2.712 21.717 19.000 0.009 0.000 1.282 70 A HN 0.224 8.409 8.150 0.058 0.000 0.400 71 G N -0.380 108.393 108.800 -0.045 0.000 2.731 71 G HA2 0.921 nan 3.960 nan 0.000 0.309 71 G HA3 0.921 nan 3.960 nan 0.000 0.309 71 G C -3.070 171.790 174.900 -0.067 0.000 1.273 71 G CA -0.282 44.764 45.100 -0.090 0.000 0.798 71 G HN 0.530 8.803 8.290 -0.029 0.000 0.509 72 I N -1.768 118.750 120.570 -0.088 0.000 2.545 72 I HA 0.523 nan 4.170 nan 0.000 0.292 72 I C -0.780 175.315 176.117 -0.038 0.000 1.040 72 I CA -1.346 59.923 61.300 -0.051 0.000 1.068 72 I CB 4.208 42.179 38.000 -0.048 0.000 1.251 72 I HN 0.662 8.682 8.210 -0.137 0.107 0.424 73 V N 6.811 126.721 119.914 -0.008 0.000 2.425 73 V HA -0.184 nan 4.120 nan 0.000 0.276 73 V C 0.441 176.557 176.094 0.036 0.000 1.017 73 V CA 1.410 63.719 62.300 0.015 0.000 1.062 73 V CB -1.987 29.847 31.823 0.017 0.000 0.997 73 V HN 0.614 8.800 8.190 -0.006 0.000 0.476 74 E N 8.533 128.777 120.200 0.074 0.000 2.170 74 E HA -0.140 nan 4.350 nan 0.000 0.191 74 E C -0.289 176.355 176.600 0.073 0.000 0.981 74 E CA 1.847 58.317 56.400 0.118 0.000 0.830 74 E CB 1.371 31.243 29.700 0.287 0.000 0.775 74 E HN 0.149 8.558 8.360 0.081 0.000 0.470 75 S N -3.526 112.208 115.700 0.058 0.000 2.587 75 S HA 0.203 nan 4.470 nan 0.000 0.269 75 S C -2.423 172.193 174.600 0.027 0.000 1.154 75 S CA -0.975 57.244 58.200 0.032 0.000 0.824 75 S CB 1.447 64.659 63.200 0.019 0.000 1.118 75 S HN -0.590 7.760 8.310 0.066 0.000 0.462 76 I N -2.831 117.748 120.570 0.014 0.000 3.042 76 I HA 0.893 nan 4.170 nan 0.000 0.310 76 I C -1.558 174.557 176.117 -0.003 0.000 1.117 76 I CA -2.948 58.359 61.300 0.012 0.000 1.003 76 I CB 4.409 42.416 38.000 0.013 0.000 1.228 76 I HN -0.013 8.202 8.210 0.009 0.000 0.443 77 G N -0.422 108.373 108.800 -0.009 0.000 2.531 77 G HA2 0.335 nan 3.960 nan 0.000 0.313 77 G HA3 0.335 nan 3.960 nan 0.000 0.313 77 G C -1.914 172.946 174.900 -0.066 0.000 1.238 77 G CA -1.987 43.092 45.100 -0.035 0.000 0.994 77 G HN 0.495 8.787 8.290 0.003 0.000 0.493 78 E N -0.511 119.627 120.200 -0.105 0.000 2.415 78 E HA -0.322 nan 4.350 nan 0.000 0.263 78 E C 0.857 177.297 176.600 -0.266 0.000 0.995 78 E CA 1.121 57.434 56.400 -0.145 0.000 0.915 78 E CB 0.564 30.178 29.700 -0.142 0.000 0.951 78 E HN 0.352 8.655 8.360 -0.094 0.000 0.449 79 G N 4.217 112.906 108.800 -0.184 0.000 2.199 79 G HA2 -0.414 nan 3.960 nan 0.000 0.254 79 G HA3 -0.414 nan 3.960 nan 0.000 0.254 79 G C -0.639 174.296 174.900 0.058 0.000 0.982 79 G CA 0.375 45.378 45.100 -0.162 0.000 0.632 79 G HN 0.384 8.610 8.290 -0.108 0.000 0.529 80 V N 0.396 120.336 119.914 0.045 0.000 2.637 80 V HA -0.113 nan 4.120 nan 0.000 0.296 80 V C 0.354 176.486 176.094 0.062 0.000 1.046 80 V CA 1.743 64.100 62.300 0.095 0.000 1.066 80 V CB -0.503 31.352 31.823 0.053 0.000 0.968 80 V HN -0.620 7.500 8.190 -0.022 0.058 0.483 81 T N 1.870 116.460 114.554 0.061 0.000 3.130 81 T HA 0.158 nan 4.350 nan 0.000 0.288 81 T C 0.869 175.585 174.700 0.028 0.000 0.936 81 T CA 0.514 62.637 62.100 0.038 0.000 0.897 81 T CB 0.726 69.616 68.868 0.038 0.000 1.178 81 T HN 0.405 9.006 8.240 0.073 -0.317 0.543 82 T N -0.259 114.312 114.554 0.028 0.000 3.040 82 T HA 0.185 nan 4.350 nan 0.000 0.250 82 T C -0.924 173.786 174.700 0.017 0.000 1.058 82 T CA 0.418 62.529 62.100 0.019 0.000 0.988 82 T CB 0.750 69.627 68.868 0.015 0.000 0.993 82 T HN 0.007 8.506 8.240 0.036 -0.238 0.519 83 V N -5.976 113.949 119.914 0.020 0.000 3.188 83 V HA 0.609 nan 4.120 nan 0.000 0.305 83 V C -2.001 174.103 176.094 0.017 0.000 1.232 83 V CA -2.316 59.994 62.300 0.017 0.000 1.043 83 V CB 2.884 34.718 31.823 0.017 0.000 1.068 83 V HN -0.592 7.612 8.190 0.024 0.000 0.439 84 R N -0.382 120.127 120.500 0.014 0.000 2.740 84 R HA 0.555 nan 4.340 nan 0.000 0.273 84 R C -2.970 173.338 176.300 0.014 0.000 0.998 84 R CA -3.480 52.628 56.100 0.013 0.000 0.900 84 R CB 3.583 33.890 30.300 0.011 0.000 1.223 84 R HN 0.164 8.642 8.270 0.013 -0.201 0.466 85 P HA -0.223 nan 4.420 nan 0.000 0.263 85 P C -0.459 176.849 177.300 0.014 0.000 1.195 85 P CA 1.210 64.321 63.100 0.018 0.000 0.762 85 P CB -0.412 31.299 31.700 0.019 0.000 0.799 86 G N 5.458 114.266 108.800 0.013 0.000 2.238 86 G HA2 -0.370 nan 3.960 nan 0.000 0.217 86 G HA3 -0.370 nan 3.960 nan 0.000 0.217 86 G C -0.505 174.398 174.900 0.005 0.000 0.996 86 G CA -0.344 44.761 45.100 0.008 0.000 0.632 86 G HN 0.395 8.589 8.290 0.014 0.104 0.503 87 D N 2.860 123.263 120.400 0.006 0.000 2.372 87 D HA 0.073 nan 4.640 nan 0.000 0.243 87 D C -0.657 175.643 176.300 0.000 0.000 1.121 87 D CA 0.597 54.600 54.000 0.005 0.000 0.898 87 D CB 0.660 41.464 40.800 0.007 0.000 1.202 87 D HN -0.190 8.112 8.370 0.008 0.073 0.428 88 K N -0.198 120.202 120.400 0.001 0.000 2.144 88 K HA 0.691 nan 4.320 nan 0.000 0.270 88 K C -0.838 175.763 176.600 0.001 0.000 1.005 88 K CA 0.097 56.382 56.287 -0.003 0.000 0.932 88 K CB 1.030 33.531 32.500 0.002 0.000 1.021 88 K HN 0.378 8.630 8.250 0.004 0.000 0.462 89 V N -3.550 116.362 119.914 -0.003 0.000 3.216 89 V HA 0.864 nan 4.120 nan 0.000 0.302 89 V C -2.006 174.089 176.094 0.003 0.000 1.286 89 V CA -1.972 60.329 62.300 0.002 0.000 1.048 89 V CB 3.961 35.785 31.823 0.002 0.000 1.081 89 V HN 0.631 8.815 8.190 -0.010 0.000 0.442 90 I N -0.553 120.023 120.570 0.010 0.000 2.466 90 I HA 0.646 nan 4.170 nan 0.000 0.289 90 I C -2.429 173.694 176.117 0.010 0.000 1.026 90 I CA -3.350 57.960 61.300 0.018 0.000 1.078 90 I CB 3.635 41.655 38.000 0.034 0.000 1.249 90 I HN 0.452 8.668 8.210 0.010 0.000 0.429 91 P HA 0.233 nan 4.420 nan 0.000 0.281 91 P C -1.585 175.712 177.300 -0.005 0.000 1.252 91 P CA -0.996 62.114 63.100 0.016 0.000 0.778 91 P CB 0.088 31.815 31.700 0.044 0.000 0.895 92 L N 2.651 123.832 121.223 -0.069 0.000 2.264 92 L HA 0.162 nan 4.340 nan 0.000 0.289 92 L C 0.222 176.984 176.870 -0.180 0.000 1.044 92 L CA -0.771 53.935 54.840 -0.223 0.000 0.807 92 L CB 0.398 42.298 42.059 -0.264 0.000 1.192 92 L HN 0.458 8.517 8.230 -0.054 0.139 0.425 93 F N 0.107 119.945 119.950 -0.187 0.000 2.558 93 F HA 0.084 nan 4.527 nan 0.000 0.298 93 F C -0.320 175.400 175.800 -0.134 0.000 1.119 93 F CA 0.178 58.094 58.000 -0.140 0.000 1.451 93 F CB 0.086 39.023 39.000 -0.105 0.000 1.091 93 F HN 0.216 8.317 8.300 -0.332 0.000 0.563 94 T N 4.083 118.249 114.554 -0.647 0.000 2.821 94 T HA 0.475 nan 4.350 nan 0.000 0.307 94 T C -2.307 172.245 174.700 -0.248 0.000 1.034 94 T CA -1.943 59.949 62.100 -0.348 0.000 0.953 94 T CB 0.665 69.278 68.868 -0.425 0.000 0.968 94 T HN -0.146 7.421 8.240 -1.058 0.038 0.462 95 P HA 0.120 nan 4.420 nan 0.000 0.274 95 P C -1.982 175.278 177.300 -0.067 0.000 1.260 95 P CA -0.427 62.614 63.100 -0.099 0.000 0.793 95 P CB 0.835 32.484 31.700 -0.084 0.000 1.048 96 Q N -1.142 118.627 119.800 -0.051 0.000 3.412 96 Q HA 0.188 nan 4.340 nan 0.000 0.219 96 Q C -0.435 175.546 176.000 -0.033 0.000 0.913 96 Q CA -1.055 54.732 55.803 -0.025 0.000 0.722 96 Q CB 0.723 29.459 28.738 -0.003 0.000 1.385 96 Q HN -0.340 7.896 8.270 -0.056 0.000 0.461 97 C N -0.127 119.147 119.300 -0.043 0.000 2.432 97 C HA 0.152 nan 4.460 nan 0.000 0.282 97 C C 1.534 176.500 174.990 -0.040 0.000 1.388 97 C CA 0.325 59.312 59.018 -0.051 0.000 1.777 97 C CB -0.220 27.483 27.740 -0.061 0.000 1.882 97 C HN 0.210 8.411 8.230 -0.048 0.000 0.520 98 G N 2.003 110.789 108.800 -0.023 0.000 2.220 98 G HA2 -0.404 nan 3.960 nan 0.000 0.269 98 G HA3 -0.404 nan 3.960 nan 0.000 0.269 98 G C -0.109 174.782 174.900 -0.014 0.000 0.977 98 G CA 0.984 46.077 45.100 -0.013 0.000 0.634 98 G HN -0.150 8.083 8.290 -0.017 0.047 0.539 99 K N 0.028 120.414 120.400 -0.024 0.000 2.287 99 K HA 0.194 nan 4.320 nan 0.000 0.199 99 K C 0.321 176.910 176.600 -0.019 0.000 1.061 99 K CA 0.262 56.535 56.287 -0.023 0.000 0.976 99 K CB 1.117 33.596 32.500 -0.035 0.000 0.898 99 K HN -0.312 7.812 8.250 -0.033 0.106 0.492 100 C N -0.506 118.779 119.300 -0.026 0.000 2.758 100 C HA 0.096 nan 4.460 nan 0.000 0.371 100 C C 1.482 176.467 174.990 -0.008 0.000 1.342 100 C CA -1.510 57.492 59.018 -0.026 0.000 2.257 100 C CB 0.604 28.317 27.740 -0.045 0.000 2.621 100 C HN -0.465 7.745 8.230 -0.033 0.000 0.730 101 R N 0.516 121.010 120.500 -0.011 0.000 2.120 101 R HA -0.249 nan 4.340 nan 0.000 0.234 101 R C 1.172 177.489 176.300 0.028 0.000 1.123 101 R CA 2.433 58.536 56.100 0.005 0.000 0.975 101 R CB -0.749 29.542 30.300 -0.015 0.000 0.866 101 R HN 0.588 8.844 8.270 -0.023 0.000 0.446 102 V N -2.490 117.431 119.914 0.012 0.000 2.323 102 V HA -0.185 nan 4.120 nan 0.000 0.244 102 V C 2.442 178.593 176.094 0.096 0.000 1.041 102 V CA 3.335 65.663 62.300 0.046 0.000 1.025 102 V CB -0.501 31.337 31.823 0.026 0.000 0.656 102 V HN -0.289 7.892 8.190 -0.014 0.000 0.451 103 C N -0.204 119.127 119.300 0.053 0.000 2.422 103 C HA -0.252 nan 4.460 nan 0.000 0.279 103 C C 1.744 176.769 174.990 0.058 0.000 1.305 103 C CA 2.939 61.988 59.018 0.051 0.000 1.757 103 C CB -1.639 26.113 27.740 0.019 0.000 1.962 103 C HN -0.324 7.920 8.230 0.024 0.000 0.499 104 K N -4.584 115.854 120.400 0.062 0.000 2.418 104 K HA 0.014 nan 4.320 nan 0.000 0.195 104 K C -0.393 176.258 176.600 0.086 0.000 1.035 104 K CA 0.043 56.363 56.287 0.056 0.000 1.003 104 K CB -0.035 32.492 32.500 0.044 0.000 0.793 104 K HN -0.417 7.847 8.250 0.058 0.020 0.494 105 H N 3.722 122.800 119.070 0.013 0.000 2.620 105 H HA 0.189 nan 4.556 nan 0.000 0.313 105 H C -1.671 173.671 175.328 0.022 0.000 1.075 105 H CA -1.471 54.587 56.048 0.017 0.000 1.397 105 H CB 1.845 31.618 29.762 0.018 0.000 1.446 105 H HN -0.602 7.595 8.280 0.192 0.197 0.493 106 P HA -0.319 nan 4.420 nan 0.000 0.218 106 P C 0.223 177.420 177.300 -0.172 0.000 1.154 106 P CA 2.668 65.605 63.100 -0.272 0.000 0.872 106 P CB 0.314 31.819 31.700 -0.325 0.000 0.790 107 E N -4.044 116.022 120.200 -0.223 0.000 2.389 107 E HA 0.019 nan 4.350 nan 0.000 0.199 107 E C -0.127 176.579 176.600 0.176 0.000 0.978 107 E CA -0.697 55.719 56.400 0.026 0.000 0.912 107 E CB 1.004 30.735 29.700 0.052 0.000 0.907 107 E HN -0.536 7.395 8.360 -0.680 0.021 0.494 108 G N -0.350 108.677 108.800 0.378 0.000 2.483 108 G HA2 -0.124 nan 3.960 nan 0.000 0.248 108 G HA3 -0.124 nan 3.960 nan 0.000 0.248 108 G C -1.161 173.841 174.900 0.169 0.000 1.248 108 G CA 0.162 45.409 45.100 0.245 0.000 0.838 108 G HN -0.509 8.103 8.290 0.537 0.000 0.566 109 N N 1.091 119.887 118.700 0.162 0.000 2.166 109 N HA -0.012 nan 4.740 nan 0.000 0.222 109 N C -0.329 175.316 175.510 0.225 0.000 1.282 109 N CA 0.278 53.430 53.050 0.170 0.000 0.890 109 N CB 1.406 39.991 38.487 0.164 0.000 1.114 109 N HN 0.127 8.604 8.380 0.162 0.000 0.494 110 F N 3.579 123.548 119.950 0.032 0.000 2.685 110 F HA -0.040 nan 4.527 nan 0.000 0.349 110 F C -0.265 175.534 175.800 -0.002 0.000 1.294 110 F CA -2.031 55.976 58.000 0.013 0.000 1.201 110 F CB -2.044 36.961 39.000 0.009 0.000 1.615 110 F HN -0.498 7.990 8.300 0.312 0.000 0.674 111 C N 6.375 125.664 119.300 -0.019 0.000 2.502 111 C HA -0.160 nan 4.460 nan 0.000 0.404 111 C C 1.361 176.171 174.990 -0.300 0.000 1.409 111 C CA -0.115 58.827 59.018 -0.127 0.000 1.648 111 C CB 0.374 28.063 27.740 -0.085 0.000 2.571 111 C HN 0.065 8.307 8.230 0.087 0.040 0.601 112 L N 6.336 127.429 121.223 -0.216 0.000 2.549 112 L HA -0.129 nan 4.340 nan 0.000 0.229 112 L C 0.536 177.283 176.870 -0.206 0.000 1.158 112 L CA 1.016 55.719 54.840 -0.229 0.000 0.842 112 L CB -0.851 41.124 42.059 -0.140 0.000 0.952 112 L HN 0.161 8.306 8.230 -0.143 0.000 0.452 113 K N -3.156 117.135 120.400 -0.182 0.000 2.410 113 K HA 0.101 nan 4.320 nan 0.000 0.200 113 K C -0.497 176.012 176.600 -0.152 0.000 1.023 113 K CA -1.053 55.149 56.287 -0.142 0.000 1.149 113 K CB -0.240 32.197 32.500 -0.106 0.000 0.859 113 K HN -0.679 7.370 8.250 -0.181 0.092 0.514 114 N N 0.350 118.915 118.700 -0.225 0.000 2.482 114 N HA -0.096 nan 4.740 nan 0.000 0.260 114 N C -0.771 174.662 175.510 -0.129 0.000 1.236 114 N CA 0.478 53.417 53.050 -0.185 0.000 0.938 114 N CB 0.950 39.253 38.487 -0.307 0.000 1.128 114 N HN -0.579 7.531 8.380 -0.320 0.078 0.448 115 D N 0.892 121.256 120.400 -0.061 0.000 2.738 115 D HA 0.205 nan 4.640 nan 0.000 0.246 115 D C -0.448 175.845 176.300 -0.012 0.000 1.270 115 D CA 0.105 54.079 54.000 -0.044 0.000 0.833 115 D CB 0.076 40.850 40.800 -0.044 0.000 1.040 115 D HN 0.327 8.673 8.370 -0.041 0.000 0.487 116 L N -2.784 118.466 121.223 0.045 0.000 2.577 116 L HA 0.055 nan 4.340 nan 0.000 0.225 116 L C 0.310 177.265 176.870 0.142 0.000 1.053 116 L CA 1.104 56.015 54.840 0.118 0.000 0.866 116 L CB 0.722 42.941 42.059 0.267 0.000 1.132 116 L HN -0.164 7.985 8.230 0.017 0.091 0.486 117 S N -0.006 115.783 115.700 0.149 0.000 2.345 117 S HA -0.232 nan 4.470 nan 0.000 0.219 117 S C 0.090 174.718 174.600 0.047 0.000 1.031 117 S CA 3.120 61.391 58.200 0.119 0.000 0.984 117 S CB 0.205 63.450 63.200 0.075 0.000 0.874 117 S HN -0.143 8.229 8.310 0.102 0.000 0.451 118 M N 1.311 120.918 119.600 0.012 0.000 1.998 118 M HA 0.391 nan 4.480 nan 0.000 0.289 118 M C -2.641 173.654 176.300 -0.007 0.000 0.886 118 M CA -3.146 52.154 55.300 -0.000 0.000 0.853 118 M CB 2.233 34.825 32.600 -0.013 0.000 1.462 118 M HN -0.469 7.817 8.290 -0.006 0.000 0.375 119 P HA 0.016 nan 4.420 nan 0.000 0.269 119 P C -1.354 175.932 177.300 -0.024 0.000 1.252 119 P CA 0.034 63.134 63.100 -0.001 0.000 0.780 119 P CB 0.151 31.867 31.700 0.027 0.000 0.829 120 R N 4.211 124.695 120.500 -0.027 0.000 2.173 120 R HA 0.044 nan 4.340 nan 0.000 0.208 120 R C 0.684 176.949 176.300 -0.059 0.000 1.035 120 R CA -0.003 56.075 56.100 -0.037 0.000 1.004 120 R CB 0.417 30.707 30.300 -0.016 0.000 0.917 120 R HN -0.162 8.420 8.270 -0.021 -0.324 0.462 121 G N -1.237 107.559 108.800 -0.007 0.000 2.160 121 G HA2 -0.278 nan 3.960 nan 0.000 0.244 121 G HA3 -0.278 nan 3.960 nan 0.000 0.244 121 G C -0.578 174.465 174.900 0.239 0.000 1.022 121 G CA 0.170 45.319 45.100 0.082 0.000 0.741 121 G HN -0.367 8.289 8.290 0.008 -0.361 0.508 122 T N -4.022 110.580 114.554 0.080 0.000 2.061 122 T HA 0.403 nan 4.350 nan 0.000 0.190 122 T C -2.111 172.379 174.700 -0.351 0.000 0.781 122 T CA -1.606 60.459 62.100 -0.058 0.000 1.192 122 T CB 2.219 71.073 68.868 -0.024 0.000 2.891 122 T HN -0.781 7.456 8.240 0.028 0.020 0.450 123 M N -1.860 117.563 119.600 -0.296 0.000 2.843 123 M HA 0.324 nan 4.480 nan 0.000 0.273 123 M C 0.620 176.828 176.300 -0.152 0.000 1.286 123 M CA -1.258 53.863 55.300 -0.299 0.000 0.807 123 M CB 3.744 36.110 32.600 -0.389 0.000 1.684 123 M HN -0.398 7.781 8.290 -0.185 0.000 0.458 124 Q N 1.019 120.750 119.800 -0.115 0.000 2.096 124 Q HA -0.339 nan 4.340 nan 0.000 0.208 124 Q C 1.658 177.620 176.000 -0.063 0.000 0.993 124 Q CA 3.124 58.882 55.803 -0.076 0.000 0.862 124 Q CB -0.256 28.448 28.738 -0.057 0.000 0.915 124 Q HN 0.474 9.002 8.270 -0.120 -0.330 0.416 125 D N -4.874 115.489 120.400 -0.063 0.000 2.324 125 D HA -0.081 nan 4.640 nan 0.000 0.235 125 D C 0.749 177.023 176.300 -0.044 0.000 1.095 125 D CA -0.681 53.292 54.000 -0.045 0.000 0.871 125 D CB -1.244 39.535 40.800 -0.035 0.000 0.906 125 D HN -0.365 7.959 8.370 -0.076 0.000 0.522 126 G N -0.893 107.874 108.800 -0.056 0.000 2.155 126 G HA2 -0.448 nan 3.960 nan 0.000 0.257 126 G HA3 -0.448 nan 3.960 nan 0.000 0.257 126 G C -0.958 173.925 174.900 -0.029 0.000 0.983 126 G CA 0.535 45.613 45.100 -0.036 0.000 0.676 126 G HN 0.019 8.073 8.290 -0.072 0.193 0.528 127 T N -3.598 110.922 114.554 -0.057 0.000 2.856 127 T HA 0.368 nan 4.350 nan 0.000 0.283 127 T C -0.173 174.477 174.700 -0.083 0.000 1.008 127 T CA -2.388 59.686 62.100 -0.043 0.000 0.997 127 T CB 2.691 71.538 68.868 -0.034 0.000 0.992 127 T HN -0.550 7.836 8.240 -0.083 -0.196 0.454 128 S N 3.867 119.561 115.700 -0.011 0.000 2.502 128 S HA 0.146 nan 4.470 nan 0.000 0.251 128 S C -0.177 174.451 174.600 0.046 0.000 1.254 128 S CA 0.742 58.985 58.200 0.071 0.000 0.989 128 S CB 0.701 63.970 63.200 0.115 0.000 1.015 128 S HN 0.387 8.705 8.310 0.014 0.000 0.529 129 R N -4.175 116.314 120.500 -0.018 0.000 2.359 129 R HA 0.212 nan 4.340 nan 0.000 0.242 129 R C -1.467 174.660 176.300 -0.290 0.000 0.809 129 R CA 0.215 56.194 56.100 -0.202 0.000 1.067 129 R CB 1.992 32.125 30.300 -0.279 0.000 1.693 129 R HN 0.008 8.219 8.270 -0.099 0.000 0.451 130 F N -1.213 118.747 119.950 0.016 0.000 2.480 130 F HA 0.666 nan 4.527 nan 0.000 0.329 130 F C -1.086 174.705 175.800 -0.016 0.000 1.091 130 F CA -2.294 55.683 58.000 -0.039 0.000 0.972 130 F CB 2.192 41.122 39.000 -0.117 0.000 1.150 130 F HN -0.384 7.809 8.300 -0.177 0.000 0.467 131 T N 4.112 118.787 114.554 0.201 0.000 2.928 131 T HA 0.493 nan 4.350 nan 0.000 0.296 131 T C -2.551 172.225 174.700 0.127 0.000 1.000 131 T CA -0.189 61.989 62.100 0.130 0.000 0.989 131 T CB 2.109 71.036 68.868 0.098 0.000 1.005 131 T HN 0.177 8.551 8.240 0.223 0.000 0.442 132 C N 5.827 125.214 119.300 0.145 0.000 2.563 132 C HA 0.737 nan 4.460 nan 0.000 0.314 132 C C -0.394 174.760 174.990 0.274 0.000 1.199 132 C CA -1.861 57.271 59.018 0.189 0.000 1.564 132 C CB 2.141 29.963 27.740 0.137 0.000 2.173 132 C HN 0.438 8.763 8.230 0.158 0.000 0.485 133 R N 3.622 124.256 120.500 0.225 0.000 1.804 133 R HA -0.423 nan 4.340 nan 0.000 0.082 133 R C 0.082 176.449 176.300 0.111 0.000 0.945 133 R CA 2.412 58.605 56.100 0.156 0.000 1.841 133 R CB -1.441 28.945 30.300 0.143 0.000 0.352 133 R HN 0.879 9.267 8.270 0.198 0.000 0.703 134 G N -1.572 107.297 108.800 0.116 0.000 3.258 134 G HA2 0.165 nan 3.960 nan 0.000 0.175 134 G HA3 0.165 nan 3.960 nan 0.000 0.175 134 G C -1.345 173.608 174.900 0.089 0.000 1.261 134 G CA 0.023 45.173 45.100 0.083 0.000 0.881 134 G HN 0.262 8.633 8.290 0.149 0.008 0.851 135 K N 2.271 122.746 120.400 0.124 0.000 2.143 135 K HA 0.484 nan 4.320 nan 0.000 0.272 135 K C -2.642 174.027 176.600 0.114 0.000 1.001 135 K CA -2.787 53.572 56.287 0.119 0.000 0.915 135 K CB -0.487 32.106 32.500 0.156 0.000 1.047 135 K HN -0.491 7.857 8.250 0.164 0.000 0.458 136 P HA 0.073 nan 4.420 nan 0.000 0.269 136 P C -1.234 176.056 177.300 -0.017 0.000 1.209 136 P CA 0.679 63.798 63.100 0.031 0.000 0.776 136 P CB 0.430 32.129 31.700 -0.002 0.000 0.876 137 I N 0.929 121.500 120.570 0.002 0.000 2.693 137 I HA 0.395 nan 4.170 nan 0.000 0.303 137 I C -0.863 175.260 176.117 0.009 0.000 1.025 137 I CA -2.100 59.174 61.300 -0.044 0.000 1.086 137 I CB 3.591 41.583 38.000 -0.013 0.000 1.268 137 I HN 0.526 8.684 8.210 0.074 0.096 0.440 138 H N 3.667 122.840 119.070 0.172 0.000 2.551 138 H HA 0.227 nan 4.556 nan 0.000 0.358 138 H C -0.289 175.234 175.328 0.324 0.000 1.151 138 H CA -0.592 55.601 56.048 0.241 0.000 1.374 138 H CB 1.492 31.362 29.762 0.180 0.000 1.473 138 H HN 0.336 8.618 8.280 0.004 0.000 0.574 139 H N 0.741 120.044 119.070 0.388 0.000 2.482 139 H HA 0.207 nan 4.556 nan 0.000 0.344 139 H C -0.828 174.705 175.328 0.341 0.000 1.151 139 H CA -0.416 55.847 56.048 0.358 0.000 1.300 139 H CB 1.727 31.603 29.762 0.189 0.000 1.494 139 H HN 0.471 9.055 8.280 0.684 0.106 0.542 140 F N 1.703 121.805 119.950 0.253 0.000 2.460 140 F HA 0.218 nan 4.527 nan 0.000 0.341 140 F C -1.000 174.878 175.800 0.130 0.000 1.130 140 F CA -2.111 55.971 58.000 0.137 0.000 0.962 140 F CB 2.073 41.113 39.000 0.068 0.000 1.171 140 F HN 0.531 9.123 8.300 0.487 0.000 0.436 141 L N 4.961 125.960 121.223 -0.374 0.000 4.312 141 L HA -0.439 nan 4.340 nan 0.000 0.427 141 L C 0.114 176.947 176.870 -0.063 0.000 1.149 141 L CA 0.927 55.580 54.840 -0.311 0.000 0.978 141 L CB -1.638 40.099 42.059 -0.536 0.000 1.963 141 L HN 1.182 9.246 8.230 -0.277 0.000 0.970 142 G N -6.280 102.544 108.800 0.040 0.000 2.148 142 G HA2 -0.410 nan 3.960 nan 0.000 0.254 142 G HA3 -0.410 nan 3.960 nan 0.000 0.254 142 G C -0.628 174.354 174.900 0.138 0.000 0.981 142 G CA 0.630 45.779 45.100 0.081 0.000 0.670 142 G HN 0.299 8.570 8.290 0.090 0.072 0.528 143 T N -5.985 108.668 114.554 0.165 0.000 3.221 143 T HA 0.252 nan 4.350 nan 0.000 0.250 143 T C -0.185 174.645 174.700 0.217 0.000 0.988 143 T CA 0.133 62.335 62.100 0.169 0.000 1.163 143 T CB 2.380 71.333 68.868 0.142 0.000 1.098 143 T HN -0.156 8.013 8.240 0.142 0.156 0.422 144 S N 2.094 117.936 115.700 0.235 0.000 3.386 144 S HA -0.367 nan 4.470 nan 0.000 0.403 144 S C 0.247 174.907 174.600 0.099 0.000 0.893 144 S CA 1.250 59.566 58.200 0.194 0.000 1.336 144 S CB -1.266 62.104 63.200 0.284 0.000 0.925 144 S HN -0.216 8.240 8.310 0.243 0.000 0.589 145 T N -2.597 111.983 114.554 0.044 0.000 3.081 145 T HA 0.083 nan 4.350 nan 0.000 0.255 145 T C 1.353 176.239 174.700 0.309 0.000 1.113 145 T CA 1.131 63.292 62.100 0.103 0.000 1.082 145 T CB 0.142 69.080 68.868 0.117 0.000 0.939 145 T HN -0.025 8.082 8.240 -0.015 0.124 0.506 146 F N 4.557 124.621 119.950 0.190 0.000 2.798 146 F HA 0.293 nan 4.527 nan 0.000 0.324 146 F C -1.798 174.176 175.800 0.290 0.000 1.210 146 F CA -3.309 54.898 58.000 0.346 0.000 1.379 146 F CB -2.983 36.147 39.000 0.217 0.000 1.368 146 F HN 0.211 8.537 8.300 0.043 0.000 0.565 147 S N -2.145 113.658 115.700 0.172 0.000 2.540 147 S HA 0.319 nan 4.470 nan 0.000 0.275 147 S C -0.207 174.169 174.600 -0.373 0.000 1.123 147 S CA -2.179 55.981 58.200 -0.068 0.000 0.907 147 S CB 1.799 64.896 63.200 -0.171 0.000 1.081 147 S HN -0.320 7.962 8.310 0.109 0.094 0.476 148 Q N 3.018 122.623 119.800 -0.325 0.000 2.234 148 Q HA -0.252 nan 4.340 nan 0.000 0.206 148 Q C -0.138 175.548 176.000 -0.523 0.000 0.980 148 Q CA 3.288 58.811 55.803 -0.466 0.000 0.869 148 Q CB 1.067 29.749 28.738 -0.093 0.000 0.912 148 Q HN 0.051 8.232 8.270 -0.147 0.000 0.436 149 Y N -5.618 114.545 120.300 -0.229 0.000 2.534 149 Y HA 0.359 nan 4.550 nan 0.000 0.345 149 Y C -2.358 173.534 175.900 -0.013 0.000 1.031 149 Y CA -0.992 57.033 58.100 -0.124 0.000 1.022 149 Y CB 3.937 42.370 38.460 -0.045 0.000 1.292 149 Y HN -0.855 7.396 8.280 -0.002 0.027 0.459 150 T N 0.463 115.149 114.554 0.219 0.000 2.792 150 T HA 0.413 nan 4.350 nan 0.000 0.303 150 T C -2.696 172.135 174.700 0.220 0.000 1.310 150 T CA -1.693 60.588 62.100 0.302 0.000 1.007 150 T CB 3.249 72.256 68.868 0.232 0.000 1.335 150 T HN 0.011 8.360 8.240 0.181 0.000 0.504 151 V N 1.930 121.962 119.914 0.196 0.000 2.656 151 V HA 0.950 nan 4.120 nan 0.000 0.307 151 V C -1.641 174.527 176.094 0.125 0.000 1.051 151 V CA -1.570 60.801 62.300 0.118 0.000 0.893 151 V CB 2.468 34.327 31.823 0.059 0.000 0.999 151 V HN 0.327 8.664 8.190 0.244 0.000 0.426 152 V N -0.655 119.308 119.914 0.080 0.000 2.962 152 V HA 0.683 nan 4.120 nan 0.000 0.313 152 V C -1.743 174.368 176.094 0.029 0.000 1.099 152 V CA -3.117 59.220 62.300 0.060 0.000 0.971 152 V CB 3.399 35.256 31.823 0.058 0.000 1.028 152 V HN 0.829 9.059 8.190 0.067 0.000 0.430 153 D N 2.606 123.011 120.400 0.008 0.000 2.357 153 D HA 0.052 nan 4.640 nan 0.000 0.242 153 D C 0.750 177.056 176.300 0.009 0.000 1.153 153 D CA 1.353 55.356 54.000 0.005 0.000 0.918 153 D CB 1.154 41.942 40.800 -0.020 0.000 1.181 153 D HN 0.236 8.607 8.370 0.001 0.000 0.435 154 E N 3.965 124.178 120.200 0.021 0.000 2.209 154 E HA -0.379 nan 4.350 nan 0.000 0.196 154 E C 1.625 178.218 176.600 -0.013 0.000 0.993 154 E CA 3.404 59.813 56.400 0.015 0.000 0.819 154 E CB 0.014 29.734 29.700 0.033 0.000 0.745 154 E HN 0.387 8.773 8.360 0.043 0.000 0.477 155 I N -8.716 111.835 120.570 -0.032 0.000 3.111 155 I HA -0.041 nan 4.170 nan 0.000 0.272 155 I C 0.483 176.574 176.117 -0.044 0.000 1.268 155 I CA 1.341 62.615 61.300 -0.043 0.000 1.467 155 I CB -0.424 37.541 38.000 -0.059 0.000 1.087 155 I HN -0.115 8.040 8.210 -0.033 0.035 0.467 156 S N 0.020 115.699 115.700 -0.035 0.000 2.537 156 S HA 0.224 nan 4.470 nan 0.000 0.246 156 S C -1.900 172.683 174.600 -0.029 0.000 1.036 156 S CA 0.658 58.832 58.200 -0.042 0.000 1.041 156 S CB 0.094 63.276 63.200 -0.030 0.000 0.799 156 S HN -0.307 7.826 8.310 -0.024 0.163 0.456 157 V N -0.772 119.129 119.914 -0.021 0.000 2.851 157 V HA 0.508 nan 4.120 nan 0.000 0.307 157 V C -2.257 173.832 176.094 -0.007 0.000 1.129 157 V CA -1.087 61.207 62.300 -0.009 0.000 0.932 157 V CB 3.283 35.109 31.823 0.005 0.000 1.024 157 V HN -0.878 7.237 8.190 -0.023 0.061 0.426 158 A N 7.657 130.476 122.820 -0.002 0.000 2.355 158 A HA 0.582 nan 4.320 nan 0.000 0.317 158 A C -2.121 175.470 177.584 0.010 0.000 1.094 158 A CA -1.841 50.199 52.037 0.006 0.000 0.764 158 A CB 3.554 22.561 19.000 0.011 0.000 1.230 158 A HN 0.772 8.920 8.150 -0.002 0.000 0.448 159 K N 3.533 123.940 120.400 0.012 0.000 2.276 159 K HA 0.359 nan 4.320 nan 0.000 0.283 159 K C -0.919 175.690 176.600 0.015 0.000 1.044 159 K CA -0.678 55.617 56.287 0.012 0.000 0.944 159 K CB 0.633 33.140 32.500 0.012 0.000 1.012 159 K HN 0.316 8.573 8.250 0.012 0.000 0.472 160 I N -1.220 119.359 120.570 0.015 0.000 3.023 160 I HA 0.293 nan 4.170 nan 0.000 0.312 160 I C -1.653 174.475 176.117 0.018 0.000 1.056 160 I CA -2.915 58.396 61.300 0.019 0.000 1.033 160 I CB 3.165 41.177 38.000 0.021 0.000 1.233 160 I HN -0.003 8.215 8.210 0.012 0.000 0.462 161 D N 0.791 121.204 120.400 0.022 0.000 2.581 161 D HA -0.214 nan 4.640 nan 0.000 0.238 161 D C 1.092 177.402 176.300 0.017 0.000 1.145 161 D CA 1.038 55.049 54.000 0.019 0.000 0.866 161 D CB 1.259 42.073 40.800 0.024 0.000 1.151 161 D HN 0.197 8.584 8.370 0.028 0.000 0.500 162 A N 5.281 128.107 122.820 0.011 0.000 2.131 162 A HA -0.210 nan 4.320 nan 0.000 0.220 162 A C -0.121 177.468 177.584 0.009 0.000 1.158 162 A CA 2.213 54.255 52.037 0.008 0.000 0.665 162 A CB -0.261 18.742 19.000 0.005 0.000 0.795 162 A HN 0.341 8.496 8.150 0.009 0.000 0.460 163 A N -4.520 118.306 122.820 0.010 0.000 2.348 163 A HA 0.205 nan 4.320 nan 0.000 0.224 163 A C 0.111 177.709 177.584 0.023 0.000 1.227 163 A CA -0.236 51.806 52.037 0.009 0.000 0.885 163 A CB 0.340 19.339 19.000 -0.001 0.000 0.933 163 A HN -0.229 8.012 8.150 0.011 -0.085 0.506 164 S N 1.553 117.275 115.700 0.036 0.000 2.549 164 S HA 0.111 nan 4.470 nan 0.000 0.283 164 S C -1.972 172.665 174.600 0.062 0.000 1.320 164 S CA -1.596 56.645 58.200 0.069 0.000 1.058 164 S CB -0.094 63.145 63.200 0.066 0.000 0.882 164 S HN -0.089 8.060 8.310 0.029 0.178 0.498 165 P HA 0.266 nan 4.420 nan 0.000 0.266 165 P C -0.069 177.248 177.300 0.029 0.000 1.586 165 P CA -0.525 62.620 63.100 0.075 0.000 1.088 165 P CB -0.186 31.594 31.700 0.133 0.000 1.584 166 L N 4.163 125.395 121.223 0.014 0.000 2.189 166 L HA -0.469 nan 4.340 nan 0.000 0.214 166 L C 1.380 178.248 176.870 -0.002 0.000 1.097 166 L CA 2.946 57.786 54.840 0.000 0.000 0.764 166 L CB -0.627 41.436 42.059 0.008 0.000 0.900 166 L HN -0.379 7.863 8.230 0.020 0.000 0.436 167 E N -2.918 117.286 120.200 0.006 0.000 2.494 167 E HA -0.103 nan 4.350 nan 0.000 0.193 167 E C 0.274 176.862 176.600 -0.020 0.000 1.074 167 E CA 1.547 57.951 56.400 0.006 0.000 0.867 167 E CB -0.694 29.015 29.700 0.015 0.000 0.924 167 E HN 0.125 8.462 8.360 0.014 0.031 0.502 168 K N -1.551 118.813 120.400 -0.059 0.000 2.363 168 K HA 0.086 nan 4.320 nan 0.000 0.215 168 K C 1.400 177.828 176.600 -0.287 0.000 1.179 168 K CA 1.007 57.204 56.287 -0.150 0.000 0.856 168 K CB 1.488 33.916 32.500 -0.120 0.000 1.371 168 K HN -0.197 7.818 8.250 -0.052 0.204 0.455 169 V N 1.103 120.817 119.914 -0.334 0.000 2.794 169 V HA -0.335 nan 4.120 nan 0.000 0.260 169 V C 1.852 177.868 176.094 -0.131 0.000 1.103 169 V CA 3.546 65.658 62.300 -0.312 0.000 1.125 169 V CB -0.946 30.766 31.823 -0.185 0.000 0.702 169 V HN -0.058 7.983 8.190 -0.249 0.000 0.494 170 C N -0.373 118.883 119.300 -0.072 0.000 2.419 170 C HA -0.182 nan 4.460 nan 0.000 0.281 170 C C 2.053 177.058 174.990 0.025 0.000 1.336 170 C CA 2.272 61.289 59.018 -0.001 0.000 1.770 170 C CB -2.066 25.688 27.740 0.024 0.000 1.929 170 C HN -0.482 7.634 8.230 -0.082 0.065 0.509 171 L N 1.581 122.802 121.223 -0.004 0.000 2.362 171 L HA -0.160 nan 4.340 nan 0.000 0.219 171 L C 1.296 178.252 176.870 0.143 0.000 1.134 171 L CA 1.583 56.457 54.840 0.056 0.000 0.807 171 L CB -0.763 41.312 42.059 0.027 0.000 0.927 171 L HN -0.208 7.951 8.230 -0.064 0.033 0.447 172 I N -1.236 119.400 120.570 0.109 0.000 3.111 172 I HA -0.267 nan 4.170 nan 0.000 0.272 172 I C 1.030 177.326 176.117 0.299 0.000 1.268 172 I CA 2.213 63.633 61.300 0.199 0.000 1.467 172 I CB -0.679 37.385 38.000 0.106 0.000 1.087 172 I HN -0.397 7.670 8.210 0.018 0.153 0.467 173 G N -1.503 107.440 108.800 0.238 0.000 2.443 173 G HA2 -0.244 nan 3.960 nan 0.000 0.219 173 G HA3 -0.244 nan 3.960 nan 0.000 0.219 173 G C -1.349 173.835 174.900 0.473 0.000 1.131 173 G CA 1.577 46.835 45.100 0.264 0.000 0.775 173 G HN -0.123 8.078 8.290 0.159 0.184 0.547 174 C N -1.967 117.627 119.300 0.490 0.000 3.301 174 C HA 0.342 nan 4.460 nan 0.000 0.172 174 C C 0.823 176.069 174.990 0.427 0.000 2.629 174 C CA 0.791 60.196 59.018 0.646 0.000 0.959 174 C CB -0.100 27.908 27.740 0.447 0.000 1.292 174 C HN -0.688 7.713 8.230 0.346 0.036 0.693 175 G N 1.757 110.712 108.800 0.258 0.000 2.732 175 G HA2 -0.474 nan 3.960 nan 0.000 0.222 175 G HA3 -0.474 nan 3.960 nan 0.000 0.222 175 G C 0.738 175.731 174.900 0.156 0.000 1.203 175 G CA 2.751 47.962 45.100 0.185 0.000 0.780 175 G HN 0.275 9.040 8.290 0.202 -0.354 0.621 176 F N 1.783 121.769 119.950 0.060 0.000 2.039 176 F HA -0.244 nan 4.527 nan 0.000 0.294 176 F C 1.307 177.112 175.800 0.009 0.000 1.130 176 F CA 3.037 61.028 58.000 -0.015 0.000 1.189 176 F CB 0.397 39.325 39.000 -0.120 0.000 0.983 176 F HN -0.179 8.300 8.300 0.298 0.000 0.471 177 S N -0.770 114.901 115.700 -0.047 0.000 2.372 177 S HA -0.519 nan 4.470 nan 0.000 0.227 177 S C 2.563 177.098 174.600 -0.109 0.000 1.044 177 S CA 4.009 62.124 58.200 -0.141 0.000 1.050 177 S CB -0.225 62.826 63.200 -0.248 0.000 0.901 177 S HN 0.192 8.634 8.310 0.221 0.000 0.447 178 T N -1.324 113.205 114.554 -0.041 0.000 2.746 178 T HA -0.128 nan 4.350 nan 0.000 0.267 178 T C 2.128 176.777 174.700 -0.084 0.000 1.039 178 T CA 3.886 65.987 62.100 0.002 0.000 1.142 178 T CB -0.413 68.614 68.868 0.265 0.000 0.866 178 T HN 0.359 8.668 8.240 0.115 0.000 0.444 179 G N 1.522 110.256 108.800 -0.111 0.000 2.394 179 G HA2 -0.232 nan 3.960 nan 0.000 0.215 179 G HA3 -0.232 nan 3.960 nan 0.000 0.215 179 G C 0.564 175.292 174.900 -0.288 0.000 1.165 179 G CA 1.482 46.477 45.100 -0.176 0.000 0.784 179 G HN -0.509 7.732 8.290 -0.082 0.000 0.535 180 Y N 2.866 122.823 120.300 -0.571 0.000 2.200 180 Y HA -0.362 nan 4.550 nan 0.000 0.290 180 Y C 1.592 177.284 175.900 -0.345 0.000 1.137 180 Y CA 2.810 60.546 58.100 -0.605 0.000 1.163 180 Y CB 0.340 38.054 38.460 -1.244 0.000 0.988 180 Y HN 0.571 8.469 8.280 -0.454 0.110 0.518 181 G N -3.202 105.462 108.800 -0.226 0.000 2.408 181 G HA2 -0.417 nan 3.960 nan 0.000 0.217 181 G HA3 -0.417 nan 3.960 nan 0.000 0.217 181 G C 1.199 175.797 174.900 -0.504 0.000 1.150 181 G CA 2.006 46.738 45.100 -0.614 0.000 0.776 181 G HN 0.275 8.408 8.290 -0.081 0.109 0.542 182 S N 2.499 118.005 115.700 -0.323 0.000 2.400 182 S HA -0.403 nan 4.470 nan 0.000 0.232 182 S C 1.232 175.824 174.600 -0.013 0.000 1.025 182 S CA 3.290 61.417 58.200 -0.122 0.000 0.993 182 S CB -0.122 63.072 63.200 -0.011 0.000 0.808 182 S HN -0.305 7.829 8.310 -0.294 0.000 0.478 183 A N 0.994 123.656 122.820 -0.262 0.000 1.862 183 A HA 0.017 nan 4.320 nan 0.000 0.211 183 A C 1.892 179.314 177.584 -0.270 0.000 1.220 183 A CA 2.762 54.659 52.037 -0.233 0.000 0.616 183 A CB -0.471 18.258 19.000 -0.452 0.000 0.878 183 A HN -0.625 7.266 8.150 -0.391 0.025 0.453 184 V N -0.774 118.891 119.914 -0.415 0.000 2.270 184 V HA -0.315 nan 4.120 nan 0.000 0.245 184 V C 1.642 177.577 176.094 -0.266 0.000 1.043 184 V CA 4.438 66.513 62.300 -0.375 0.000 1.014 184 V CB -0.630 30.855 31.823 -0.564 0.000 0.645 184 V HN -0.321 7.539 8.190 -0.550 0.000 0.447 185 K N -2.360 117.849 120.400 -0.319 0.000 2.078 185 K HA -0.015 nan 4.320 nan 0.000 0.203 185 K C 2.047 178.521 176.600 -0.210 0.000 1.043 185 K CA 2.054 58.171 56.287 -0.284 0.000 0.960 185 K CB 0.811 32.994 32.500 -0.528 0.000 0.761 185 K HN -0.397 7.496 8.250 -0.416 0.107 0.448 186 V N -1.109 118.680 119.914 -0.209 0.000 2.251 186 V HA -0.234 nan 4.120 nan 0.000 0.237 186 V C 2.405 178.462 176.094 -0.062 0.000 1.040 186 V CA 3.838 66.069 62.300 -0.114 0.000 1.005 186 V CB -0.160 31.606 31.823 -0.095 0.000 0.645 186 V HN -0.100 7.930 8.190 -0.268 0.000 0.458 187 A N -2.081 120.718 122.820 -0.035 0.000 1.972 187 A HA -0.200 nan 4.320 nan 0.000 0.219 187 A C -0.143 177.356 177.584 -0.142 0.000 1.169 187 A CA 1.868 53.866 52.037 -0.066 0.000 0.635 187 A CB 0.255 19.173 19.000 -0.136 0.000 0.810 187 A HN 0.106 8.272 8.150 0.027 0.000 0.446 188 K N -5.833 114.448 120.400 -0.199 0.000 3.549 188 K HA -0.335 nan 4.320 nan 0.000 0.275 188 K C -1.094 175.277 176.600 -0.381 0.000 1.060 188 K CA 0.148 56.316 56.287 -0.198 0.000 0.812 188 K CB -1.864 30.597 32.500 -0.065 0.000 1.374 188 K HN -0.401 7.728 8.250 -0.172 0.018 0.455 189 V N -1.882 117.683 119.914 -0.582 0.000 2.617 189 V HA -0.193 nan 4.120 nan 0.000 0.304 189 V C -0.431 175.513 176.094 -0.251 0.000 1.040 189 V CA 1.505 63.336 62.300 -0.781 0.000 1.149 189 V CB 0.024 31.577 31.823 -0.449 0.000 0.914 189 V HN -0.415 7.520 8.190 -0.424 0.000 0.487 190 T N 2.149 116.714 114.554 0.018 0.000 2.929 190 T HA 0.230 nan 4.350 nan 0.000 0.284 190 T C -0.677 174.082 174.700 0.098 0.000 1.014 190 T CA -2.138 60.029 62.100 0.112 0.000 1.051 190 T CB 1.398 70.389 68.868 0.206 0.000 1.028 190 T HN -0.008 8.366 8.240 0.224 0.000 0.485 191 Q N 4.084 123.919 119.800 0.059 0.000 2.300 191 Q HA -0.442 nan 4.340 nan 0.000 0.280 191 Q C 1.123 177.161 176.000 0.063 0.000 1.033 191 Q CA 1.714 57.547 55.803 0.051 0.000 0.903 191 Q CB 0.297 29.056 28.738 0.034 0.000 1.195 191 Q HN 0.509 8.806 8.270 0.045 0.000 0.386 192 G N 4.533 113.371 108.800 0.063 0.000 2.195 192 G HA2 -0.435 nan 3.960 nan 0.000 0.246 192 G HA3 -0.435 nan 3.960 nan 0.000 0.246 192 G C -0.462 174.487 174.900 0.082 0.000 0.984 192 G CA -0.105 45.031 45.100 0.059 0.000 0.633 192 G HN 1.060 9.274 8.290 0.059 0.111 0.525 193 S N 1.452 117.230 115.700 0.130 0.000 2.593 193 S HA 0.056 nan 4.470 nan 0.000 0.269 193 S C -0.476 174.225 174.600 0.168 0.000 1.334 193 S CA 0.440 58.750 58.200 0.185 0.000 1.015 193 S CB 1.209 64.643 63.200 0.390 0.000 0.912 193 S HN -0.480 7.831 8.310 0.137 0.081 0.541 194 T N 4.060 118.709 114.554 0.158 0.000 2.743 194 T HA 0.380 nan 4.350 nan 0.000 0.292 194 T C -1.006 173.811 174.700 0.194 0.000 0.972 194 T CA 0.225 62.404 62.100 0.131 0.000 0.967 194 T CB 0.340 69.256 68.868 0.079 0.000 0.926 194 T HN -0.233 8.362 8.240 0.139 -0.272 0.459 195 C N 6.876 126.300 119.300 0.206 0.000 2.399 195 C HA 1.079 nan 4.460 nan 0.000 0.348 195 C C -1.546 173.564 174.990 0.200 0.000 1.183 195 C CA -2.175 57.008 59.018 0.275 0.000 2.023 195 C CB 3.015 30.931 27.740 0.294 0.000 2.361 195 C HN 1.091 9.300 8.230 0.158 0.116 0.521 196 A N 0.846 123.825 122.820 0.265 0.000 2.422 196 A HA 0.827 nan 4.320 nan 0.000 0.302 196 A C -2.544 175.246 177.584 0.344 0.000 1.041 196 A CA -0.957 51.203 52.037 0.204 0.000 0.708 196 A CB 2.981 22.103 19.000 0.203 0.000 1.257 196 A HN 0.450 8.823 8.150 0.371 0.000 0.414 197 V N 1.697 121.741 119.914 0.216 0.000 2.488 197 V HA 0.536 nan 4.120 nan 0.000 0.293 197 V C -1.665 174.558 176.094 0.216 0.000 1.027 197 V CA -0.830 61.641 62.300 0.285 0.000 0.862 197 V CB 1.939 33.835 31.823 0.123 0.000 1.008 197 V HN 0.505 8.730 8.190 0.058 0.000 0.428 198 F N 5.900 125.937 119.950 0.146 0.000 2.421 198 F HA 0.474 nan 4.527 nan 0.000 0.358 198 F C -0.328 175.543 175.800 0.117 0.000 1.115 198 F CA -1.671 56.403 58.000 0.123 0.000 1.160 198 F CB 0.417 39.486 39.000 0.114 0.000 1.123 198 F HN 0.451 9.203 8.300 0.753 0.000 0.508 199 G N 4.562 113.503 108.800 0.236 0.000 3.380 199 G HA2 -0.297 nan 3.960 nan 0.000 0.685 199 G HA3 -0.297 nan 3.960 nan 0.000 0.685 199 G C -1.038 173.943 174.900 0.134 0.000 1.136 199 G CA -0.512 44.694 45.100 0.177 0.000 1.011 199 G HN 0.654 9.056 8.290 0.187 0.000 0.471 200 L N 3.084 124.378 121.223 0.118 0.000 2.956 200 L HA 0.233 nan 4.340 nan 0.000 0.232 200 L C -0.334 176.585 176.870 0.081 0.000 1.291 200 L CA -0.729 54.173 54.840 0.104 0.000 1.122 200 L CB -1.527 40.614 42.059 0.136 0.000 1.461 200 L HN 0.538 9.184 8.230 0.116 -0.347 0.470 201 G N 0.061 108.905 108.800 0.073 0.000 2.795 201 G HA2 0.378 nan 3.960 nan 0.000 0.267 201 G HA3 0.378 nan 3.960 nan 0.000 0.267 201 G C 0.311 175.246 174.900 0.060 0.000 1.362 201 G CA -1.748 43.387 45.100 0.058 0.000 1.048 201 G HN -0.834 7.446 8.290 0.080 0.058 0.547 202 G N -1.120 107.712 108.800 0.054 0.000 2.505 202 G HA2 -0.363 nan 3.960 nan 0.000 0.220 202 G HA3 -0.363 nan 3.960 nan 0.000 0.220 202 G C 1.235 176.177 174.900 0.070 0.000 1.145 202 G CA 2.446 47.586 45.100 0.066 0.000 0.761 202 G HN 0.561 8.877 8.290 0.043 0.000 0.571 203 V N 1.767 121.719 119.914 0.063 0.000 2.379 203 V HA -0.348 nan 4.120 nan 0.000 0.245 203 V C 2.304 178.411 176.094 0.021 0.000 1.044 203 V CA 3.322 65.653 62.300 0.052 0.000 1.036 203 V CB -0.916 30.949 31.823 0.071 0.000 0.664 203 V HN -0.067 8.153 8.190 0.062 0.008 0.453 204 G N -0.267 108.557 108.800 0.040 0.000 2.421 204 G HA2 -0.335 nan 3.960 nan 0.000 0.216 204 G HA3 -0.335 nan 3.960 nan 0.000 0.216 204 G C 1.221 176.123 174.900 0.004 0.000 1.171 204 G CA 2.008 47.125 45.100 0.027 0.000 0.775 204 G HN -0.325 7.999 8.290 0.058 0.000 0.543 205 L N 0.714 121.960 121.223 0.038 0.000 2.043 205 L HA -0.508 nan 4.340 nan 0.000 0.212 205 L C 2.288 179.183 176.870 0.042 0.000 1.075 205 L CA 3.197 58.067 54.840 0.050 0.000 0.752 205 L CB -0.327 41.778 42.059 0.077 0.000 0.891 205 L HN 0.490 8.752 8.230 0.053 0.000 0.432 206 S N -1.406 114.315 115.700 0.036 0.000 2.419 206 S HA -0.269 nan 4.470 nan 0.000 0.233 206 S C 1.627 176.161 174.600 -0.110 0.000 1.016 206 S CA 4.177 62.381 58.200 0.007 0.000 0.974 206 S CB -0.536 62.637 63.200 -0.045 0.000 0.786 206 S HN -0.321 8.016 8.310 0.042 -0.002 0.492 207 V N 2.889 122.701 119.914 -0.171 0.000 2.427 207 V HA -0.364 nan 4.120 nan 0.000 0.248 207 V C 1.470 177.387 176.094 -0.294 0.000 1.051 207 V CA 3.848 65.936 62.300 -0.353 0.000 1.048 207 V CB -0.760 30.750 31.823 -0.521 0.000 0.666 207 V HN -0.435 7.552 8.190 -0.121 0.130 0.456 208 I N -0.484 119.997 120.570 -0.149 0.000 2.226 208 I HA -0.662 nan 4.170 nan 0.000 0.245 208 I C 1.584 177.685 176.117 -0.026 0.000 1.100 208 I CA 4.452 65.708 61.300 -0.074 0.000 1.374 208 I CB -0.146 37.848 38.000 -0.010 0.000 1.057 208 I HN -0.153 7.917 8.210 -0.110 0.074 0.413 209 M N -1.495 118.122 119.600 0.030 0.000 2.082 209 M HA -0.465 nan 4.480 nan 0.000 0.258 209 M C 2.514 178.888 176.300 0.124 0.000 1.069 209 M CA 4.439 59.818 55.300 0.131 0.000 1.102 209 M CB -0.398 32.356 32.600 0.257 0.000 1.336 209 M HN 0.379 8.607 8.290 0.023 0.076 0.404 210 G N -2.506 106.296 108.800 0.004 0.000 2.443 210 G HA2 -0.308 nan 3.960 nan 0.000 0.219 210 G HA3 -0.308 nan 3.960 nan 0.000 0.219 210 G C 0.960 175.746 174.900 -0.191 0.000 1.131 210 G CA 1.869 46.848 45.100 -0.202 0.000 0.775 210 G HN -0.048 8.135 8.290 -0.057 0.072 0.547 211 C N 2.368 121.573 119.300 -0.157 0.000 2.440 211 C HA -0.222 nan 4.460 nan 0.000 0.278 211 C C 1.577 176.545 174.990 -0.037 0.000 1.295 211 C CA 3.431 62.383 59.018 -0.110 0.000 1.738 211 C CB -1.664 26.029 27.740 -0.078 0.000 1.987 211 C HN -0.184 7.827 8.230 -0.164 0.120 0.492 212 K N 0.100 120.500 120.400 0.000 0.000 2.026 212 K HA -0.346 nan 4.320 nan 0.000 0.208 212 K C 2.596 179.224 176.600 0.047 0.000 1.048 212 K CA 3.387 59.695 56.287 0.036 0.000 0.929 212 K CB -0.146 32.390 32.500 0.061 0.000 0.713 212 K HN -0.184 8.065 8.250 -0.002 0.000 0.439 213 A N -0.888 121.973 122.820 0.069 0.000 1.978 213 A HA -0.162 nan 4.320 nan 0.000 0.220 213 A C 1.404 179.007 177.584 0.033 0.000 1.170 213 A CA 2.575 54.669 52.037 0.096 0.000 0.636 213 A CB -0.697 18.419 19.000 0.194 0.000 0.810 213 A HN -0.224 7.973 8.150 0.078 0.000 0.448 214 A N -4.257 118.548 122.820 -0.025 0.000 2.167 214 A HA 0.004 nan 4.320 nan 0.000 0.214 214 A C 0.323 177.903 177.584 -0.007 0.000 1.151 214 A CA -0.045 51.965 52.037 -0.044 0.000 0.735 214 A CB 0.264 19.197 19.000 -0.111 0.000 0.802 214 A HN -0.462 7.537 8.150 -0.048 0.123 0.467 215 G N -2.812 105.996 108.800 0.013 0.000 2.130 215 G HA2 -0.314 nan 3.960 nan 0.000 0.216 215 G HA3 -0.314 nan 3.960 nan 0.000 0.216 215 G C -0.735 174.188 174.900 0.038 0.000 0.999 215 G CA -0.337 44.780 45.100 0.028 0.000 0.686 215 G HN -0.370 7.733 8.290 0.014 0.196 0.515 216 A N 0.586 123.428 122.820 0.037 0.000 2.567 216 A HA 0.065 nan 4.320 nan 0.000 0.240 216 A C -1.055 176.564 177.584 0.058 0.000 1.053 216 A CA 0.727 52.803 52.037 0.065 0.000 0.755 216 A CB -0.158 18.881 19.000 0.065 0.000 0.978 216 A HN -0.329 7.833 8.150 0.020 0.000 0.507 217 A N 4.336 127.195 122.820 0.064 0.000 2.021 217 A HA 0.084 nan 4.320 nan 0.000 0.216 217 A C -0.371 177.240 177.584 0.045 0.000 1.163 217 A CA 1.141 53.207 52.037 0.049 0.000 0.676 217 A CB 1.055 20.082 19.000 0.046 0.000 0.818 217 A HN 0.432 8.619 8.150 0.081 0.012 0.453 218 R N -2.359 118.175 120.500 0.056 0.000 2.564 218 R HA 0.373 nan 4.340 nan 0.000 0.284 218 R C -2.644 173.692 176.300 0.059 0.000 1.031 218 R CA -0.294 55.833 56.100 0.046 0.000 0.904 218 R CB 3.293 33.618 30.300 0.042 0.000 1.199 218 R HN -0.476 7.816 8.270 0.075 0.024 0.443 219 I N 5.438 126.031 120.570 0.039 0.000 2.517 219 I HA 0.323 nan 4.170 nan 0.000 0.280 219 I C -1.455 174.669 176.117 0.012 0.000 1.061 219 I CA -1.251 60.075 61.300 0.044 0.000 1.091 219 I CB 2.363 40.382 38.000 0.032 0.000 1.205 219 I HN 0.498 8.722 8.210 0.023 0.000 0.459 220 I N 7.226 127.800 120.570 0.007 0.000 2.342 220 I HA 0.351 nan 4.170 nan 0.000 0.291 220 I C -0.856 175.219 176.117 -0.069 0.000 1.010 220 I CA -0.954 60.317 61.300 -0.049 0.000 1.308 220 I CB 1.081 39.044 38.000 -0.062 0.000 1.400 220 I HN 0.546 8.670 8.210 0.038 0.109 0.488 221 G N 5.836 114.574 108.800 -0.104 0.000 2.356 221 G HA2 0.580 nan 3.960 nan 0.000 0.322 221 G HA3 0.580 nan 3.960 nan 0.000 0.322 221 G C -2.379 172.453 174.900 -0.114 0.000 1.125 221 G CA -1.513 43.542 45.100 -0.075 0.000 0.885 221 G HN -0.032 8.177 8.290 -0.136 0.000 0.467 222 V N 4.022 123.868 119.914 -0.113 0.000 2.487 222 V HA 0.775 nan 4.120 nan 0.000 0.298 222 V C -1.955 174.185 176.094 0.077 0.000 1.028 222 V CA -1.486 60.736 62.300 -0.131 0.000 0.860 222 V CB 1.782 33.241 31.823 -0.606 0.000 0.991 222 V HN 0.614 8.749 8.190 -0.091 0.000 0.427 223 D N 6.403 126.938 120.400 0.225 0.000 2.706 223 D HA 0.335 nan 4.640 nan 0.000 0.225 223 D C -1.138 175.235 176.300 0.123 0.000 1.241 223 D CA -0.327 53.781 54.000 0.179 0.000 0.784 223 D CB 4.687 45.590 40.800 0.171 0.000 1.521 223 D HN 0.082 8.640 8.370 0.312 0.000 0.461 224 I N -5.076 115.534 120.570 0.067 0.000 3.578 224 I HA 0.057 nan 4.170 nan 0.000 0.295 224 I C -0.655 175.431 176.117 -0.052 0.000 1.280 224 I CA 0.115 61.437 61.300 0.037 0.000 1.347 224 I CB 0.128 38.161 38.000 0.056 0.000 1.051 224 I HN 0.143 8.399 8.210 0.077 0.000 0.460 225 N N 1.280 119.912 118.700 -0.114 0.000 2.589 225 N HA 0.081 nan 4.740 nan 0.000 0.232 225 N C 0.626 175.861 175.510 -0.458 0.000 1.015 225 N CA -1.007 51.929 53.050 -0.189 0.000 0.931 225 N CB 0.537 38.957 38.487 -0.111 0.000 1.150 225 N HN -0.337 8.241 8.380 -0.073 -0.242 0.512 226 K N 5.947 126.040 120.400 -0.512 0.000 2.113 226 K HA -0.352 nan 4.320 nan 0.000 0.208 226 K C 0.707 176.916 176.600 -0.651 0.000 1.047 226 K CA 3.261 59.047 56.287 -0.836 0.000 0.928 226 K CB -0.226 32.072 32.500 -0.337 0.000 0.716 226 K HN 0.051 8.117 8.250 -0.306 0.000 0.446 227 D N -2.475 117.735 120.400 -0.316 0.000 2.351 227 D HA -0.152 nan 4.640 nan 0.000 0.216 227 D C 1.305 177.537 176.300 -0.113 0.000 0.968 227 D CA 2.391 56.299 54.000 -0.155 0.000 0.899 227 D CB -1.091 39.658 40.800 -0.085 0.000 0.907 227 D HN 0.178 8.368 8.370 -0.263 0.022 0.514 228 K N -1.744 118.544 120.400 -0.186 0.000 2.305 228 K HA 0.010 nan 4.320 nan 0.000 0.199 228 K C 1.889 178.585 176.600 0.160 0.000 1.047 228 K CA 0.323 56.598 56.287 -0.019 0.000 0.976 228 K CB -0.243 32.253 32.500 -0.007 0.000 0.765 228 K HN -0.401 7.456 8.250 -0.368 0.172 0.474 229 F N -0.057 119.906 119.950 0.022 0.000 2.043 229 F HA -0.437 nan 4.527 nan 0.000 0.297 229 F C 1.635 177.447 175.800 0.019 0.000 1.118 229 F CA 2.068 60.080 58.000 0.019 0.000 1.202 229 F CB -1.586 37.424 39.000 0.018 0.000 0.965 229 F HN -0.367 7.786 8.300 -0.178 0.040 0.482 230 A N -1.842 121.111 122.820 0.221 0.000 1.892 230 A HA -0.478 nan 4.320 nan 0.000 0.218 230 A C 2.019 179.660 177.584 0.096 0.000 1.188 230 A CA 3.596 55.708 52.037 0.123 0.000 0.631 230 A CB -1.090 17.962 19.000 0.087 0.000 0.822 230 A HN 0.428 8.709 8.150 0.217 0.000 0.447 231 K N -1.666 118.791 120.400 0.094 0.000 2.147 231 K HA -0.248 nan 4.320 nan 0.000 0.205 231 K C 1.609 178.259 176.600 0.084 0.000 1.049 231 K CA 1.867 58.201 56.287 0.077 0.000 0.936 231 K CB -0.702 31.840 32.500 0.069 0.000 0.722 231 K HN -0.027 8.283 8.250 0.099 0.000 0.446 232 A N -0.568 122.316 122.820 0.107 0.000 1.841 232 A HA -0.226 nan 4.320 nan 0.000 0.214 232 A C 2.381 180.000 177.584 0.059 0.000 1.195 232 A CA 3.089 55.180 52.037 0.091 0.000 0.611 232 A CB -0.745 18.326 19.000 0.119 0.000 0.835 232 A HN -0.526 7.586 8.150 0.140 0.121 0.443 233 K N -1.468 118.963 120.400 0.051 0.000 2.074 233 K HA -0.389 nan 4.320 nan 0.000 0.209 233 K C 2.719 179.341 176.600 0.037 0.000 1.048 233 K CA 3.447 59.751 56.287 0.027 0.000 0.926 233 K CB -0.258 32.255 32.500 0.021 0.000 0.713 233 K HN -0.099 8.194 8.250 0.072 0.000 0.444 234 E N -0.676 119.553 120.200 0.048 0.000 2.085 234 E HA -0.255 nan 4.350 nan 0.000 0.194 234 E C 1.460 178.091 176.600 0.052 0.000 0.994 234 E CA 2.845 59.273 56.400 0.047 0.000 0.801 234 E CB 0.197 29.927 29.700 0.049 0.000 0.743 234 E HN -0.175 8.215 8.360 0.057 0.004 0.453 235 V N -9.319 110.631 119.914 0.060 0.000 3.649 235 V HA 0.268 nan 4.120 nan 0.000 0.275 235 V C -0.111 176.022 176.094 0.065 0.000 1.281 235 V CA -0.783 61.560 62.300 0.071 0.000 1.143 235 V CB -0.944 30.931 31.823 0.088 0.000 0.892 235 V HN -0.560 7.567 8.190 0.061 0.099 0.441 236 G N -1.811 107.019 108.800 0.049 0.000 3.259 236 G HA2 -0.127 nan 3.960 nan 0.000 0.217 236 G HA3 -0.127 nan 3.960 nan 0.000 0.217 236 G C -1.077 173.838 174.900 0.025 0.000 0.993 236 G CA -0.135 44.989 45.100 0.040 0.000 0.836 236 G HN -0.494 7.648 8.290 0.045 0.175 0.514 237 A N 0.218 123.050 122.820 0.019 0.000 2.520 237 A HA -0.022 nan 4.320 nan 0.000 0.245 237 A C 0.274 177.851 177.584 -0.012 0.000 1.072 237 A CA 0.999 53.036 52.037 -0.001 0.000 0.761 237 A CB 0.458 19.450 19.000 -0.013 0.000 1.004 237 A HN -0.438 7.636 8.150 0.028 0.093 0.499 238 T N 4.749 119.294 114.554 -0.016 0.000 2.978 238 T HA -0.060 nan 4.350 nan 0.000 0.262 238 T C 0.240 174.914 174.700 -0.044 0.000 1.063 238 T CA 2.028 64.118 62.100 -0.018 0.000 1.140 238 T CB 0.407 69.272 68.868 -0.006 0.000 0.886 238 T HN 0.384 8.617 8.240 -0.012 0.000 0.470 239 E N -2.064 118.091 120.200 -0.074 0.000 2.446 239 E HA 0.310 nan 4.350 nan 0.000 0.276 239 E C -2.236 174.236 176.600 -0.213 0.000 0.969 239 E CA -0.984 55.343 56.400 -0.122 0.000 0.800 239 E CB 4.884 34.526 29.700 -0.095 0.000 1.341 239 E HN -0.664 7.655 8.360 -0.068 0.000 0.460 240 C N -0.029 119.059 119.300 -0.353 0.000 2.701 240 C HA 0.819 nan 4.460 nan 0.000 0.336 240 C C -1.603 173.015 174.990 -0.620 0.000 1.123 240 C CA -0.838 57.772 59.018 -0.679 0.000 1.326 240 C CB 2.163 29.121 27.740 -1.303 0.000 1.833 240 C HN 0.126 8.175 8.230 -0.302 0.000 0.473 241 V N 5.068 124.758 119.914 -0.374 0.000 2.656 241 V HA 0.390 nan 4.120 nan 0.000 0.307 241 V C -3.173 173.062 176.094 0.236 0.000 1.051 241 V CA -1.165 61.115 62.300 -0.034 0.000 0.893 241 V CB 4.339 36.133 31.823 -0.049 0.000 0.999 241 V HN 1.154 9.046 8.190 -0.323 0.104 0.426 242 N N 7.152 126.094 118.700 0.403 0.000 2.564 242 N HA 0.516 nan 4.740 nan 0.000 0.248 242 N C -0.966 174.752 175.510 0.347 0.000 0.986 242 N CA -3.647 49.636 53.050 0.388 0.000 0.921 242 N CB 1.078 39.779 38.487 0.357 0.000 1.136 242 N HN 0.284 8.914 8.380 0.416 0.000 0.509 243 P HA -0.352 nan 4.420 nan 0.000 0.218 243 P C 1.048 178.509 177.300 0.268 0.000 1.150 243 P CA 2.313 65.550 63.100 0.229 0.000 0.841 243 P CB 0.324 32.111 31.700 0.146 0.000 0.784 244 Q N -3.560 116.356 119.800 0.193 0.000 2.515 244 Q HA -0.231 nan 4.340 nan 0.000 0.212 244 Q C 1.222 177.281 176.000 0.098 0.000 0.970 244 Q CA 2.021 57.901 55.803 0.129 0.000 0.941 244 Q CB -0.582 28.205 28.738 0.082 0.000 0.998 244 Q HN -0.164 8.467 8.270 0.178 -0.254 0.518 245 D N -1.825 118.638 120.400 0.105 0.000 2.367 245 D HA 0.041 nan 4.640 nan 0.000 0.207 245 D C -0.319 175.836 176.300 -0.242 0.000 1.034 245 D CA 1.345 55.276 54.000 -0.115 0.000 0.861 245 D CB 1.011 41.655 40.800 -0.260 0.000 0.943 245 D HN 0.009 8.342 8.370 0.241 0.182 0.515 246 Y N -0.972 119.348 120.300 0.032 0.000 2.453 246 Y HA 0.123 nan 4.550 nan 0.000 0.326 246 Y C 0.782 176.696 175.900 0.024 0.000 1.186 246 Y CA -0.706 57.410 58.100 0.025 0.000 1.200 246 Y CB 1.490 39.965 38.460 0.024 0.000 1.247 246 Y HN -0.642 7.825 8.280 0.387 0.045 0.482 247 K N 1.068 121.573 120.400 0.176 0.000 2.387 247 K HA -0.024 nan 4.320 nan 0.000 0.198 247 K C -1.108 175.551 176.600 0.098 0.000 1.022 247 K CA 0.185 56.534 56.287 0.104 0.000 1.128 247 K CB 0.095 32.634 32.500 0.065 0.000 0.853 247 K HN 0.526 8.891 8.250 0.190 0.000 0.523 248 K N -1.592 118.883 120.400 0.124 0.000 2.443 248 K HA 0.377 nan 4.320 nan 0.000 0.251 248 K C -2.692 173.935 176.600 0.044 0.000 0.972 248 K CA -2.763 53.566 56.287 0.069 0.000 0.833 248 K CB 0.505 33.038 32.500 0.054 0.000 1.317 248 K HN -0.749 7.547 8.250 0.194 0.071 0.441 249 P HA 0.005 nan 4.420 nan 0.000 0.260 249 P C 0.796 178.082 177.300 -0.023 0.000 1.172 249 P CA -0.330 62.777 63.100 0.011 0.000 0.760 249 P CB 0.416 32.119 31.700 0.005 0.000 0.773 250 I N 2.167 122.730 120.570 -0.013 0.000 2.300 250 I HA -0.541 nan 4.170 nan 0.000 0.252 250 I C 1.561 177.658 176.117 -0.033 0.000 1.119 250 I CA 3.041 64.311 61.300 -0.051 0.000 1.384 250 I CB -0.066 37.966 38.000 0.055 0.000 1.062 250 I HN 0.537 8.762 8.210 0.025 0.000 0.426 251 Q N -2.493 117.313 119.800 0.009 0.000 2.172 251 Q HA -0.262 nan 4.340 nan 0.000 0.200 251 Q C 2.246 178.225 176.000 -0.035 0.000 0.964 251 Q CA 3.503 59.310 55.803 0.006 0.000 0.855 251 Q CB -0.654 28.080 28.738 -0.007 0.000 0.918 251 Q HN 0.247 8.496 8.270 0.016 0.030 0.444 252 E N 0.513 120.686 120.200 -0.045 0.000 2.051 252 E HA -0.338 nan 4.350 nan 0.000 0.192 252 E C 2.182 178.739 176.600 -0.071 0.000 0.991 252 E CA 3.136 59.507 56.400 -0.048 0.000 0.799 252 E CB -0.182 29.497 29.700 -0.035 0.000 0.748 252 E HN -0.237 8.001 8.360 -0.038 0.100 0.449 253 V N 0.918 120.758 119.914 -0.122 0.000 2.231 253 V HA -0.383 nan 4.120 nan 0.000 0.248 253 V C 2.227 178.231 176.094 -0.149 0.000 1.054 253 V CA 4.544 66.724 62.300 -0.199 0.000 1.015 253 V CB -0.876 30.662 31.823 -0.475 0.000 0.638 253 V HN -0.417 7.699 8.190 -0.124 0.000 0.444 254 L N -3.095 118.049 121.223 -0.132 0.000 2.079 254 L HA -0.363 nan 4.340 nan 0.000 0.210 254 L C 2.370 179.210 176.870 -0.051 0.000 1.081 254 L CA 3.319 58.110 54.840 -0.082 0.000 0.752 254 L CB -1.164 40.874 42.059 -0.034 0.000 0.896 254 L HN 0.314 8.356 8.230 -0.136 0.106 0.433 255 T N -3.093 111.431 114.554 -0.049 0.000 2.904 255 T HA -0.332 nan 4.350 nan 0.000 0.267 255 T C 2.096 176.771 174.700 -0.043 0.000 1.059 255 T CA 3.933 66.004 62.100 -0.048 0.000 1.137 255 T CB -0.527 68.308 68.868 -0.054 0.000 0.879 255 T HN 0.164 8.265 8.240 -0.051 0.107 0.467 256 E N 2.952 123.126 120.200 -0.042 0.000 2.028 256 E HA -0.268 nan 4.350 nan 0.000 0.190 256 E C 2.630 179.215 176.600 -0.024 0.000 0.984 256 E CA 2.878 59.261 56.400 -0.030 0.000 0.800 256 E CB -0.005 29.681 29.700 -0.024 0.000 0.758 256 E HN -0.180 8.149 8.360 -0.051 0.000 0.448 257 M N -2.349 117.233 119.600 -0.030 0.000 2.346 257 M HA -0.301 nan 4.480 nan 0.000 0.263 257 M C 1.601 177.892 176.300 -0.015 0.000 1.064 257 M CA 3.386 58.675 55.300 -0.020 0.000 1.083 257 M CB -0.157 32.427 32.600 -0.026 0.000 1.399 257 M HN -0.061 8.202 8.290 -0.045 0.000 0.435 258 S N -1.904 113.785 115.700 -0.018 0.000 2.572 258 S HA -0.015 nan 4.470 nan 0.000 0.228 258 S C 0.030 174.624 174.600 -0.010 0.000 0.963 258 S CA -1.011 57.184 58.200 -0.009 0.000 0.939 258 S CB -0.124 63.071 63.200 -0.009 0.000 0.804 258 S HN -0.521 7.741 8.310 -0.027 0.032 0.480 259 N N 1.182 119.874 118.700 -0.013 0.000 2.641 259 N HA -0.388 nan 4.740 nan 0.000 0.267 259 N C -0.104 175.392 175.510 -0.024 0.000 1.087 259 N CA 0.521 53.563 53.050 -0.013 0.000 0.731 259 N CB -0.835 37.651 38.487 -0.003 0.000 0.886 259 N HN -0.027 8.145 8.380 -0.015 0.199 0.547 260 G N -2.500 106.277 108.800 -0.039 0.000 2.134 260 G HA2 -0.379 nan 3.960 nan 0.000 0.209 260 G HA3 -0.379 nan 3.960 nan 0.000 0.209 260 G C -1.743 173.104 174.900 -0.089 0.000 0.993 260 G CA -0.122 44.941 45.100 -0.062 0.000 0.669 260 G HN 0.574 8.842 8.290 -0.036 0.000 0.519 261 G N -3.143 105.614 108.800 -0.071 0.000 2.697 261 G HA2 -0.279 nan 3.960 nan 0.000 0.686 261 G HA3 -0.279 nan 3.960 nan 0.000 0.686 261 G C -0.065 174.795 174.900 -0.066 0.000 1.179 261 G CA -0.822 44.228 45.100 -0.083 0.000 0.765 261 G HN -0.825 7.435 8.290 -0.051 0.000 0.649 262 V N -4.616 115.272 119.914 -0.044 0.000 3.264 262 V HA 0.408 nan 4.120 nan 0.000 0.304 262 V C -0.379 175.678 176.094 -0.062 0.000 1.086 262 V CA -1.155 61.139 62.300 -0.011 0.000 1.090 262 V CB 1.207 33.057 31.823 0.045 0.000 1.112 262 V HN -0.274 7.893 8.190 -0.039 0.000 0.472 263 D N 2.642 123.008 120.400 -0.057 0.000 2.183 263 D HA 0.152 nan 4.640 nan 0.000 0.205 263 D C -0.147 175.808 176.300 -0.574 0.000 0.962 263 D CA 3.910 57.741 54.000 -0.282 0.000 0.849 263 D CB 1.389 41.990 40.800 -0.332 0.000 0.978 263 D HN 0.235 8.619 8.370 0.023 0.000 0.488 264 F N -3.746 116.222 119.950 0.030 0.000 2.573 264 F HA 0.478 nan 4.527 nan 0.000 0.316 264 F C -2.139 173.632 175.800 -0.047 0.000 1.148 264 F CA -1.459 56.506 58.000 -0.059 0.000 0.940 264 F CB 3.704 42.695 39.000 -0.015 0.000 1.214 264 F HN -0.678 7.711 8.300 0.149 0.000 0.448 265 S N 0.497 116.194 115.700 -0.005 0.000 2.566 265 S HA 0.832 nan 4.470 nan 0.000 0.298 265 S C -1.445 173.062 174.600 -0.155 0.000 1.083 265 S CA -1.914 56.340 58.200 0.091 0.000 0.978 265 S CB 2.577 65.853 63.200 0.126 0.000 1.073 265 S HN 0.623 8.872 8.310 -0.103 0.000 0.491 266 F N -1.009 119.064 119.950 0.206 0.000 2.556 266 F HA 0.511 nan 4.527 nan 0.000 0.314 266 F C -1.703 174.192 175.800 0.159 0.000 1.106 266 F CA -1.004 57.086 58.000 0.150 0.000 0.911 266 F CB 3.873 42.942 39.000 0.115 0.000 1.190 266 F HN 0.264 8.903 8.300 0.565 0.000 0.448 267 E N 2.873 123.221 120.200 0.246 0.000 2.081 267 E HA 0.531 nan 4.350 nan 0.000 0.276 267 E C -1.076 175.637 176.600 0.188 0.000 0.950 267 E CA -1.105 55.390 56.400 0.157 0.000 0.776 267 E CB 1.368 31.096 29.700 0.047 0.000 1.094 267 E HN 0.393 8.882 8.360 0.215 0.000 0.402 268 V N 6.746 126.785 119.914 0.209 0.000 2.854 268 V HA 0.337 nan 4.120 nan 0.000 0.366 268 V C -0.884 175.302 176.094 0.153 0.000 1.322 268 V CA -0.946 61.453 62.300 0.165 0.000 1.243 268 V CB -1.646 30.262 31.823 0.141 0.000 1.337 268 V HN 0.483 8.828 8.190 0.258 0.000 0.585 269 I N -1.111 119.552 120.570 0.154 0.000 3.366 269 I HA 0.159 nan 4.170 nan 0.000 0.267 269 I C -0.156 176.053 176.117 0.152 0.000 1.149 269 I CA 0.519 61.909 61.300 0.150 0.000 1.436 269 I CB 2.586 40.679 38.000 0.155 0.000 1.379 269 I HN -0.716 7.861 8.210 0.148 -0.278 0.460 270 G N -2.193 106.678 108.800 0.120 0.000 2.337 270 G HA2 -0.294 nan 3.960 nan 0.000 0.134 270 G HA3 -0.294 nan 3.960 nan 0.000 0.134 270 G C -1.190 173.739 174.900 0.049 0.000 1.052 270 G CA -0.639 44.517 45.100 0.094 0.000 0.737 270 G HN -0.494 8.335 8.290 0.105 -0.476 0.485 271 R N -1.321 119.208 120.500 0.047 0.000 2.750 271 R HA 0.352 nan 4.340 nan 0.000 0.281 271 R C -0.279 176.035 176.300 0.023 0.000 0.972 271 R CA -1.955 54.165 56.100 0.032 0.000 0.912 271 R CB 2.574 32.903 30.300 0.049 0.000 1.187 271 R HN -0.681 7.869 8.270 0.054 -0.248 0.464 272 L N 2.438 123.672 121.223 0.018 0.000 2.056 272 L HA -0.311 nan 4.340 nan 0.000 0.207 272 L C 1.255 178.145 176.870 0.034 0.000 1.078 272 L CA 2.968 57.824 54.840 0.026 0.000 0.749 272 L CB -1.301 40.769 42.059 0.018 0.000 0.901 272 L HN 0.622 8.861 8.230 0.014 0.000 0.433 273 D N -3.402 117.013 120.400 0.024 0.000 2.097 273 D HA -0.248 nan 4.640 nan 0.000 0.195 273 D C 2.013 178.306 176.300 -0.012 0.000 0.989 273 D CA 3.320 57.330 54.000 0.015 0.000 0.827 273 D CB -1.731 39.084 40.800 0.024 0.000 0.966 273 D HN 0.302 8.687 8.370 0.025 0.000 0.456 274 T N -4.182 110.361 114.554 -0.018 0.000 2.995 274 T HA -0.126 nan 4.350 nan 0.000 0.269 274 T C 2.158 176.741 174.700 -0.196 0.000 1.091 274 T CA 2.635 64.666 62.100 -0.115 0.000 1.128 274 T CB -0.915 67.930 68.868 -0.038 0.000 0.891 274 T HN 0.011 8.258 8.240 0.012 0.000 0.492 275 M N 0.141 119.714 119.600 -0.045 0.000 2.296 275 M HA -0.222 nan 4.480 nan 0.000 0.265 275 M C 1.886 178.236 176.300 0.082 0.000 1.064 275 M CA 3.749 59.083 55.300 0.058 0.000 1.109 275 M CB -0.194 32.502 32.600 0.160 0.000 1.396 275 M HN -0.370 7.900 8.290 -0.002 0.019 0.430 276 V N -0.641 119.273 119.914 0.001 0.000 2.500 276 V HA -0.268 nan 4.120 nan 0.000 0.243 276 V C 1.980 177.964 176.094 -0.184 0.000 1.039 276 V CA 3.863 66.112 62.300 -0.085 0.000 1.053 276 V CB -1.040 30.758 31.823 -0.041 0.000 0.695 276 V HN -0.412 7.642 8.190 -0.002 0.135 0.463 277 T N 2.063 116.511 114.554 -0.177 0.000 2.833 277 T HA -0.298 nan 4.350 nan 0.000 0.269 277 T C 1.473 175.996 174.700 -0.295 0.000 1.054 277 T CA 5.013 67.005 62.100 -0.180 0.000 1.135 277 T CB -0.701 68.100 68.868 -0.111 0.000 0.869 277 T HN 0.106 8.260 8.240 -0.143 0.000 0.466 278 A N 1.069 123.567 122.820 -0.537 0.000 1.898 278 A HA -0.130 nan 4.320 nan 0.000 0.216 278 A C 1.823 179.248 177.584 -0.265 0.000 1.181 278 A CA 3.079 54.789 52.037 -0.544 0.000 0.620 278 A CB -0.978 17.680 19.000 -0.570 0.000 0.819 278 A HN 0.131 7.854 8.150 -0.518 0.116 0.442 279 L N -1.836 119.194 121.223 -0.321 0.000 2.027 279 L HA -0.284 nan 4.340 nan 0.000 0.206 279 L C 2.242 178.904 176.870 -0.346 0.000 1.074 279 L CA 2.924 57.487 54.840 -0.461 0.000 0.745 279 L CB -0.256 41.282 42.059 -0.868 0.000 0.898 279 L HN -0.616 7.342 8.230 -0.309 0.087 0.433 280 S N 0.052 115.586 115.700 -0.276 0.000 2.383 280 S HA -0.271 nan 4.470 nan 0.000 0.227 280 S C 1.953 176.469 174.600 -0.139 0.000 1.026 280 S CA 3.247 61.327 58.200 -0.199 0.000 0.981 280 S CB -0.417 62.690 63.200 -0.155 0.000 0.818 280 S HN 0.350 8.496 8.310 -0.274 0.000 0.472 281 C N -1.855 117.391 119.300 -0.089 0.000 2.511 281 C HA 0.177 nan 4.460 nan 0.000 0.277 281 C C 0.008 174.966 174.990 -0.054 0.000 1.451 281 C CA -1.270 57.730 59.018 -0.030 0.000 1.735 281 C CB -2.010 25.782 27.740 0.086 0.000 1.704 281 C HN -0.412 7.761 8.230 -0.095 0.000 0.571 282 C N -0.899 118.337 119.300 -0.106 0.000 2.351 282 C HA 0.376 nan 4.460 nan 0.000 0.359 282 C C -0.851 174.019 174.990 -0.200 0.000 1.193 282 C CA -3.262 55.677 59.018 -0.132 0.000 2.270 282 C CB 2.197 29.855 27.740 -0.135 0.000 2.369 282 C HN -0.634 7.453 8.230 -0.140 0.058 0.553 283 Q N 2.387 122.031 119.800 -0.260 0.000 2.269 283 Q HA -0.262 nan 4.340 nan 0.000 0.300 283 Q C 1.430 177.187 176.000 -0.405 0.000 1.070 283 Q CA 1.075 56.639 55.803 -0.397 0.000 0.957 283 Q CB 0.396 28.722 28.738 -0.687 0.000 1.131 283 Q HN 0.574 8.596 8.270 -0.232 0.109 0.377 284 E N 5.952 125.955 120.200 -0.328 0.000 2.118 284 E HA -0.399 nan 4.350 nan 0.000 0.195 284 E C -0.111 176.345 176.600 -0.240 0.000 0.992 284 E CA 3.579 59.828 56.400 -0.251 0.000 0.804 284 E CB -0.582 29.006 29.700 -0.188 0.000 0.741 284 E HN 0.715 8.895 8.360 -0.300 0.000 0.458 285 A N -2.601 120.030 122.820 -0.315 0.000 2.147 285 A HA -0.066 nan 4.320 nan 0.000 0.211 285 A C -0.083 177.445 177.584 -0.094 0.000 1.160 285 A CA 1.285 53.210 52.037 -0.186 0.000 0.781 285 A CB 0.136 19.071 19.000 -0.109 0.000 0.842 285 A HN 0.106 8.197 8.150 -0.423 -0.195 0.475 286 Y N -7.863 112.374 120.300 -0.105 0.000 2.926 286 Y HA 0.285 nan 4.550 nan 0.000 0.279 286 Y C 0.082 175.872 175.900 -0.184 0.000 1.035 286 Y CA -2.390 55.638 58.100 -0.121 0.000 1.268 286 Y CB -0.315 38.079 38.460 -0.111 0.000 1.392 286 Y HN -0.663 7.225 8.280 -0.654 0.000 0.585 287 G N 1.684 110.347 108.800 -0.229 0.000 2.544 287 G HA2 0.050 nan 3.960 nan 0.000 0.242 287 G HA3 0.050 nan 3.960 nan 0.000 0.242 287 G C -2.755 172.047 174.900 -0.163 0.000 1.247 287 G CA 0.126 45.090 45.100 -0.225 0.000 0.840 287 G HN -0.016 7.990 8.290 -0.346 0.076 0.578 288 V N 1.201 121.009 119.914 -0.176 0.000 2.638 288 V HA 0.604 nan 4.120 nan 0.000 0.306 288 V C -1.546 174.518 176.094 -0.050 0.000 1.052 288 V CA -1.231 61.042 62.300 -0.044 0.000 0.885 288 V CB 2.944 34.829 31.823 0.103 0.000 0.999 288 V HN 0.228 8.253 8.190 -0.276 0.000 0.424 289 S N 4.427 120.103 115.700 -0.039 0.000 2.519 289 S HA 0.769 nan 4.470 nan 0.000 0.309 289 S C -2.136 172.482 174.600 0.031 0.000 1.100 289 S CA -1.670 56.494 58.200 -0.060 0.000 1.059 289 S CB 2.093 65.238 63.200 -0.092 0.000 1.008 289 S HN 0.482 8.801 8.310 0.015 0.000 0.478 290 V N 7.418 127.230 119.914 -0.170 0.000 2.459 290 V HA 0.584 nan 4.120 nan 0.000 0.295 290 V C -1.499 174.620 176.094 0.042 0.000 1.029 290 V CA -1.385 60.866 62.300 -0.081 0.000 0.874 290 V CB 2.615 34.327 31.823 -0.186 0.000 0.985 290 V HN 0.910 8.864 8.190 -0.395 0.000 0.438 291 I N 6.883 127.472 120.570 0.032 0.000 2.315 291 I HA 0.456 nan 4.170 nan 0.000 0.291 291 I C -1.404 174.735 176.117 0.037 0.000 1.006 291 I CA -0.621 60.697 61.300 0.030 0.000 1.265 291 I CB 1.414 39.371 38.000 -0.072 0.000 1.387 291 I HN 0.350 8.432 8.210 -0.021 0.116 0.475 292 V N 8.154 128.124 119.914 0.093 0.000 3.307 292 V HA 0.228 nan 4.120 nan 0.000 0.244 292 V C 0.324 176.465 176.094 0.078 0.000 1.196 292 V CA -0.095 62.260 62.300 0.091 0.000 1.132 292 V CB 0.612 32.515 31.823 0.133 0.000 0.875 292 V HN 0.741 9.004 8.190 0.121 0.000 0.468 293 G N -0.796 108.057 108.800 0.087 0.000 2.569 293 G HA2 -0.032 nan 3.960 nan 0.000 0.249 293 G HA3 -0.032 nan 3.960 nan 0.000 0.249 293 G C -1.146 173.795 174.900 0.068 0.000 1.216 293 G CA -0.803 44.356 45.100 0.098 0.000 0.845 293 G HN -0.449 7.897 8.290 0.094 0.000 0.568 294 V N 3.421 123.399 119.914 0.106 0.000 2.348 294 V HA 0.182 nan 4.120 nan 0.000 0.270 294 V C -1.114 174.954 176.094 -0.044 0.000 1.037 294 V CA -3.432 58.899 62.300 0.051 0.000 0.872 294 V CB 0.523 32.428 31.823 0.136 0.000 1.002 294 V HN 0.375 8.676 8.190 0.185 0.000 0.464 295 P HA 0.385 nan 4.420 nan 0.000 0.274 295 P C -2.644 174.578 177.300 -0.131 0.000 1.246 295 P CA -2.513 60.534 63.100 -0.087 0.000 0.795 295 P CB -0.152 31.512 31.700 -0.061 0.000 1.006 296 P HA -0.005 nan 4.420 nan 0.000 0.276 296 P C -0.283 176.976 177.300 -0.068 0.000 1.243 296 P CA -0.394 62.641 63.100 -0.108 0.000 0.768 296 P CB 0.427 32.082 31.700 -0.074 0.000 0.856 297 D N 7.517 127.882 120.400 -0.059 0.000 1.686 297 D HA -0.472 nan 4.640 nan 0.000 0.614 297 D C 0.527 176.811 176.300 -0.026 0.000 0.720 297 D CA 2.540 56.521 54.000 -0.033 0.000 1.723 297 D CB -0.012 40.776 40.800 -0.019 0.000 0.449 297 D HN 0.184 8.510 8.370 -0.074 0.000 0.294 298 S N -1.185 114.503 115.700 -0.021 0.000 2.484 298 S HA 0.159 nan 4.470 nan 0.000 0.242 298 S C -1.648 172.941 174.600 -0.018 0.000 1.158 298 S CA -0.070 58.120 58.200 -0.018 0.000 1.162 298 S CB 0.707 63.900 63.200 -0.011 0.000 0.850 298 S HN -0.205 8.094 8.310 -0.020 0.000 0.477 299 Q N 1.072 120.859 119.800 -0.023 0.000 2.241 299 Q HA 0.078 nan 4.340 nan 0.000 0.254 299 Q C -0.776 175.213 176.000 -0.019 0.000 0.917 299 Q CA -0.141 55.651 55.803 -0.018 0.000 0.919 299 Q CB 1.782 30.509 28.738 -0.019 0.000 1.237 299 Q HN -0.456 7.736 8.270 -0.029 0.060 0.434 300 N N 2.671 121.364 118.700 -0.011 0.000 2.472 300 N HA 0.244 nan 4.740 nan 0.000 0.289 300 N C -1.523 173.989 175.510 0.003 0.000 1.156 300 N CA -0.300 52.745 53.050 -0.008 0.000 0.940 300 N CB 1.522 40.007 38.487 -0.004 0.000 1.200 300 N HN 0.186 8.562 8.380 -0.007 0.000 0.511 301 L N -0.997 120.234 121.223 0.014 0.000 2.354 301 L HA 0.380 nan 4.340 nan 0.000 0.269 301 L C -0.446 176.454 176.870 0.050 0.000 1.005 301 L CA -0.780 54.082 54.840 0.037 0.000 0.819 301 L CB 1.374 43.470 42.059 0.061 0.000 1.311 301 L HN 0.108 8.344 8.230 0.010 0.000 0.423 302 S N 2.544 118.271 115.700 0.045 0.000 2.578 302 S HA 0.247 nan 4.470 nan 0.000 0.283 302 S C -1.235 173.395 174.600 0.050 0.000 1.195 302 S CA -0.086 58.138 58.200 0.041 0.000 1.050 302 S CB 0.616 63.829 63.200 0.022 0.000 1.012 302 S HN 0.064 8.397 8.310 0.038 0.000 0.511 303 M N 3.051 122.678 119.600 0.045 0.000 2.643 303 M HA 0.100 nan 4.480 nan 0.000 0.276 303 M C -2.507 173.794 176.300 0.002 0.000 1.200 303 M CA 0.001 55.315 55.300 0.023 0.000 0.863 303 M CB 2.791 35.433 32.600 0.070 0.000 1.711 303 M HN -0.097 8.218 8.290 0.043 0.000 0.492 304 N N 3.351 122.030 118.700 -0.035 0.000 2.426 304 N HA 0.365 nan 4.740 nan 0.000 0.257 304 N C -0.855 174.627 175.510 -0.046 0.000 1.002 304 N CA -2.037 50.992 53.050 -0.036 0.000 0.942 304 N CB 1.108 39.566 38.487 -0.047 0.000 1.112 304 N HN 0.226 8.570 8.380 -0.060 0.000 0.499 305 P HA -0.157 nan 4.420 nan 0.000 0.228 305 P C 1.056 178.333 177.300 -0.039 0.000 1.151 305 P CA 1.372 64.461 63.100 -0.018 0.000 0.770 305 P CB 0.561 32.264 31.700 0.005 0.000 0.786 306 M N -0.390 119.183 119.600 -0.046 0.000 2.213 306 M HA -0.284 nan 4.480 nan 0.000 0.263 306 M C 1.831 178.086 176.300 -0.076 0.000 1.062 306 M CA 2.046 57.315 55.300 -0.052 0.000 1.105 306 M CB -1.193 31.377 32.600 -0.049 0.000 1.385 306 M HN 0.269 8.863 8.290 -0.042 -0.330 0.417 307 L N -1.791 119.370 121.223 -0.103 0.000 2.051 307 L HA -0.349 nan 4.340 nan 0.000 0.214 307 L C 2.661 179.443 176.870 -0.147 0.000 1.076 307 L CA 3.681 58.431 54.840 -0.151 0.000 0.758 307 L CB -0.944 40.984 42.059 -0.217 0.000 0.890 307 L HN -0.420 7.739 8.230 -0.097 0.013 0.433 308 L N -3.175 117.982 121.223 -0.111 0.000 2.249 308 L HA -0.237 nan 4.340 nan 0.000 0.207 308 L C 2.473 179.312 176.870 -0.051 0.000 1.090 308 L CA 2.125 56.920 54.840 -0.076 0.000 0.802 308 L CB -0.131 41.915 42.059 -0.022 0.000 0.947 308 L HN -0.589 7.460 8.230 -0.094 0.124 0.453 309 L N -0.280 120.916 121.223 -0.045 0.000 2.127 309 L HA -0.416 nan 4.340 nan 0.000 0.211 309 L C 1.590 178.436 176.870 -0.041 0.000 1.089 309 L CA 2.826 57.646 54.840 -0.034 0.000 0.757 309 L CB -0.260 41.782 42.059 -0.029 0.000 0.899 309 L HN -0.229 7.880 8.230 -0.048 0.091 0.434 310 S N -2.369 113.295 115.700 -0.061 0.000 2.359 310 S HA -0.241 nan 4.470 nan 0.000 0.224 310 S C 0.680 175.242 174.600 -0.063 0.000 1.035 310 S CA 2.564 60.722 58.200 -0.070 0.000 1.018 310 S CB 0.404 63.545 63.200 -0.099 0.000 0.876 310 S HN 0.030 8.281 8.310 -0.071 0.016 0.448 311 G N -3.116 105.644 108.800 -0.066 0.000 3.859 311 G HA2 -0.184 nan 3.960 nan 0.000 0.220 311 G HA3 -0.184 nan 3.960 nan 0.000 0.220 311 G C -0.850 174.018 174.900 -0.053 0.000 0.892 311 G CA -0.408 44.664 45.100 -0.046 0.000 0.858 311 G HN -0.757 7.487 8.290 -0.076 0.000 0.625 312 R N 1.115 121.558 120.500 -0.094 0.000 2.758 312 R HA -0.070 nan 4.340 nan 0.000 0.263 312 R C -0.547 175.725 176.300 -0.047 0.000 1.010 312 R CA 0.985 57.020 56.100 -0.107 0.000 1.114 312 R CB 0.393 30.587 30.300 -0.177 0.000 0.985 312 R HN -0.528 7.674 8.270 -0.113 0.000 0.439 313 T N 2.104 116.644 114.554 -0.023 0.000 2.841 313 T HA 0.361 nan 4.350 nan 0.000 0.285 313 T C -1.730 173.040 174.700 0.117 0.000 0.991 313 T CA -1.505 60.625 62.100 0.050 0.000 0.966 313 T CB 2.095 70.995 68.868 0.053 0.000 0.962 313 T HN 0.096 8.307 8.240 -0.049 0.000 0.438 314 W N 6.682 127.953 121.300 -0.049 0.000 2.475 314 W HA 0.641 nan 4.660 nan 0.000 0.317 314 W C -1.557 174.932 176.519 -0.051 0.000 1.046 314 W CA -2.611 54.698 57.345 -0.059 0.000 1.215 314 W CB 1.298 30.724 29.460 -0.057 0.000 1.335 314 W HN 0.333 8.665 8.180 0.254 0.000 0.471 315 K N 3.962 124.440 120.400 0.130 0.000 2.399 315 K HA 0.563 nan 4.320 nan 0.000 0.260 315 K C -1.319 175.205 176.600 -0.128 0.000 1.049 315 K CA -1.486 54.781 56.287 -0.033 0.000 0.890 315 K CB 4.058 36.558 32.500 0.000 0.000 1.430 315 K HN 0.473 8.874 8.250 0.250 0.000 0.459 316 G N -2.471 106.253 108.800 -0.128 0.000 2.690 316 G HA2 0.808 nan 3.960 nan 0.000 0.291 316 G HA3 0.808 nan 3.960 nan 0.000 0.291 316 G C -2.245 172.593 174.900 -0.104 0.000 1.403 316 G CA -0.394 44.625 45.100 -0.135 0.000 0.864 316 G HN -0.053 8.175 8.290 -0.103 0.000 0.480 317 A N 1.543 124.307 122.820 -0.093 0.000 2.594 317 A HA 0.335 nan 4.320 nan 0.000 0.296 317 A C -1.942 175.594 177.584 -0.081 0.000 1.061 317 A CA 0.210 52.189 52.037 -0.097 0.000 0.689 317 A CB 2.964 21.915 19.000 -0.080 0.000 1.280 317 A HN -0.192 7.911 8.150 -0.078 0.000 0.406 318 I N 1.116 121.627 120.570 -0.098 0.000 2.404 318 I HA 0.256 nan 4.170 nan 0.000 0.293 318 I C -0.126 176.098 176.117 0.178 0.000 0.992 318 I CA -1.170 60.131 61.300 0.001 0.000 1.149 318 I CB 2.617 40.492 38.000 -0.208 0.000 1.315 318 I HN 0.592 8.722 8.210 -0.132 0.000 0.446 319 F N 7.860 127.884 119.950 0.123 0.000 3.091 319 F HA -0.363 nan 4.527 nan 0.000 0.288 319 F C 0.247 176.084 175.800 0.062 0.000 0.907 319 F CA -0.009 58.070 58.000 0.132 0.000 1.028 319 F CB -0.611 38.360 39.000 -0.048 0.000 1.022 319 F HN 0.796 9.373 8.300 0.462 0.000 0.665 320 G N -2.957 105.762 108.800 -0.134 0.000 2.233 320 G HA2 -0.471 nan 3.960 nan 0.000 0.270 320 G HA3 -0.471 nan 3.960 nan 0.000 0.270 320 G C 0.249 174.749 174.900 -0.668 0.000 1.011 320 G CA 0.371 45.218 45.100 -0.422 0.000 0.762 320 G HN 0.329 8.600 8.290 -0.003 0.017 0.511 321 G N -3.452 105.144 108.800 -0.341 0.000 2.184 321 G HA2 -0.438 nan 3.960 nan 0.000 0.264 321 G HA3 -0.438 nan 3.960 nan 0.000 0.264 321 G C -0.078 174.695 174.900 -0.212 0.000 0.975 321 G CA -0.044 44.897 45.100 -0.265 0.000 0.642 321 G HN -0.367 7.785 8.290 -0.160 0.042 0.536 322 F N 1.274 121.196 119.950 -0.047 0.000 2.472 322 F HA -0.162 nan 4.527 nan 0.000 0.364 322 F C -0.120 175.783 175.800 0.172 0.000 1.090 322 F CA -1.040 56.955 58.000 -0.009 0.000 1.188 322 F CB 0.126 38.966 39.000 -0.267 0.000 1.105 322 F HN -0.449 7.463 8.300 -0.340 0.184 0.536 323 K N 6.226 126.827 120.400 0.335 0.000 2.351 323 K HA -0.116 nan 4.320 nan 0.000 0.287 323 K C 1.023 177.774 176.600 0.251 0.000 1.068 323 K CA 0.515 56.941 56.287 0.232 0.000 0.998 323 K CB -0.251 32.343 32.500 0.157 0.000 0.968 323 K HN 0.523 8.966 8.250 0.323 0.000 0.464 324 S N 7.351 123.196 115.700 0.241 0.000 2.414 324 S HA -0.511 nan 4.470 nan 0.000 0.238 324 S C 1.528 176.187 174.600 0.098 0.000 1.055 324 S CA 4.055 62.354 58.200 0.165 0.000 1.174 324 S CB -0.086 63.057 63.200 -0.095 0.000 1.087 324 S HN 0.477 8.911 8.310 0.207 0.000 0.428 325 K N -1.149 119.277 120.400 0.043 0.000 2.063 325 K HA -0.290 nan 4.320 nan 0.000 0.208 325 K C 1.293 177.918 176.600 0.041 0.000 1.048 325 K CA 2.737 59.041 56.287 0.028 0.000 0.928 325 K CB 0.100 32.606 32.500 0.011 0.000 0.713 325 K HN -0.511 7.877 8.250 0.033 -0.118 0.442 326 D N -4.257 116.175 120.400 0.054 0.000 2.249 326 D HA 0.089 nan 4.640 nan 0.000 0.205 326 D C 1.717 178.042 176.300 0.042 0.000 0.962 326 D CA 1.758 55.785 54.000 0.046 0.000 0.860 326 D CB 0.093 40.921 40.800 0.046 0.000 0.955 326 D HN -0.668 7.932 8.370 0.065 -0.191 0.505 327 S N 1.212 116.943 115.700 0.051 0.000 2.377 327 S HA -0.090 nan 4.470 nan 0.000 0.223 327 S C 1.976 176.541 174.600 -0.058 0.000 1.030 327 S CA 3.554 61.737 58.200 -0.027 0.000 0.970 327 S CB 0.140 63.287 63.200 -0.089 0.000 0.830 327 S HN -0.486 7.878 8.310 0.089 0.000 0.473 328 V N 2.300 122.227 119.914 0.023 0.000 2.324 328 V HA -0.253 nan 4.120 nan 0.000 0.250 328 V C -0.938 175.175 176.094 0.031 0.000 1.060 328 V CA 6.201 68.529 62.300 0.047 0.000 1.042 328 V CB -2.331 29.554 31.823 0.102 0.000 0.650 328 V HN -0.306 7.931 8.190 0.079 0.000 0.450 329 P HA -0.216 nan 4.420 nan 0.000 0.215 329 P C 1.522 178.840 177.300 0.030 0.000 1.157 329 P CA 3.065 66.182 63.100 0.028 0.000 0.863 329 P CB -0.423 31.291 31.700 0.024 0.000 0.787 330 K N -1.959 118.454 120.400 0.021 0.000 2.147 330 K HA -0.244 nan 4.320 nan 0.000 0.205 330 K C 2.700 179.327 176.600 0.045 0.000 1.049 330 K CA 3.374 59.677 56.287 0.027 0.000 0.936 330 K CB -0.360 32.154 32.500 0.022 0.000 0.722 330 K HN -0.773 7.486 8.250 0.014 0.000 0.446 331 L N -1.216 120.022 121.223 0.026 0.000 2.156 331 L HA -0.272 nan 4.340 nan 0.000 0.208 331 L C 2.151 179.133 176.870 0.186 0.000 1.095 331 L CA 2.964 57.862 54.840 0.096 0.000 0.770 331 L CB -0.217 41.832 42.059 -0.017 0.000 0.914 331 L HN 0.247 8.368 8.230 -0.013 0.102 0.439 332 V N -0.586 119.394 119.914 0.110 0.000 2.358 332 V HA -0.473 nan 4.120 nan 0.000 0.246 332 V C 1.678 177.837 176.094 0.108 0.000 1.047 332 V CA 4.321 66.686 62.300 0.109 0.000 1.035 332 V CB -1.224 30.637 31.823 0.063 0.000 0.658 332 V HN -0.230 7.920 8.190 0.071 0.083 0.452 333 A N -0.613 122.246 122.820 0.065 0.000 1.851 333 A HA -0.453 nan 4.320 nan 0.000 0.216 333 A C 1.682 179.262 177.584 -0.007 0.000 1.195 333 A CA 3.709 55.762 52.037 0.027 0.000 0.622 333 A CB -0.936 18.078 19.000 0.024 0.000 0.831 333 A HN 0.065 8.252 8.150 0.061 0.000 0.444 334 D N -1.737 118.681 120.400 0.030 0.000 2.190 334 D HA -0.323 nan 4.640 nan 0.000 0.200 334 D C 1.822 177.958 176.300 -0.273 0.000 0.992 334 D CA 3.758 57.748 54.000 -0.017 0.000 0.854 334 D CB -0.472 40.436 40.800 0.179 0.000 0.936 334 D HN -0.346 8.071 8.370 0.079 0.000 0.462 335 F N 0.852 120.500 119.950 -0.503 0.000 2.113 335 F HA -0.263 nan 4.527 nan 0.000 0.297 335 F C 1.578 177.115 175.800 -0.438 0.000 1.103 335 F CA 3.148 60.668 58.000 -0.801 0.000 1.248 335 F CB 0.191 38.853 39.000 -0.565 0.000 0.999 335 F HN -0.916 7.252 8.300 -0.004 0.130 0.475 336 M N -1.531 117.899 119.600 -0.283 0.000 2.202 336 M HA -0.372 nan 4.480 nan 0.000 0.262 336 M C 1.910 178.030 176.300 -0.300 0.000 1.063 336 M CA 1.389 56.518 55.300 -0.285 0.000 1.097 336 M CB -1.269 31.270 32.600 -0.102 0.000 1.382 336 M HN -0.112 8.068 8.290 -0.058 0.075 0.413 337 A N -3.966 118.702 122.820 -0.253 0.000 2.327 337 A HA -0.040 nan 4.320 nan 0.000 0.228 337 A C -0.937 176.500 177.584 -0.245 0.000 1.275 337 A CA -0.355 51.563 52.037 -0.197 0.000 0.875 337 A CB -0.933 17.997 19.000 -0.116 0.000 0.925 337 A HN -0.129 7.750 8.150 -0.232 0.132 0.493 338 K N -5.005 115.159 120.400 -0.393 0.000 3.071 338 K HA -0.358 nan 4.320 nan 0.000 0.265 338 K C 0.284 176.717 176.600 -0.278 0.000 1.060 338 K CA 1.014 57.068 56.287 -0.388 0.000 0.767 338 K CB -2.454 29.889 32.500 -0.263 0.000 1.241 338 K HN -0.152 7.586 8.250 -0.514 0.204 0.486 339 K N -2.351 117.865 120.400 -0.307 0.000 2.296 339 K HA -0.086 nan 4.320 nan 0.000 0.200 339 K C -0.326 176.292 176.600 0.029 0.000 1.048 339 K CA 1.561 57.789 56.287 -0.097 0.000 0.966 339 K CB 0.866 33.375 32.500 0.015 0.000 0.754 339 K HN 0.104 8.082 8.250 -0.430 0.014 0.466 340 F N -6.090 113.814 119.950 -0.076 0.000 2.668 340 F HA 0.175 nan 4.527 nan 0.000 0.309 340 F C -2.165 173.596 175.800 -0.064 0.000 1.117 340 F CA -3.314 54.644 58.000 -0.072 0.000 0.951 340 F CB 2.008 40.918 39.000 -0.151 0.000 1.323 340 F HN -0.920 6.930 8.300 -0.698 0.031 0.451 341 A N 0.821 123.752 122.820 0.185 0.000 2.318 341 A HA 0.276 nan 4.320 nan 0.000 0.324 341 A C -1.310 176.389 177.584 0.192 0.000 1.170 341 A CA -0.897 51.222 52.037 0.138 0.000 0.810 341 A CB 1.123 20.167 19.000 0.074 0.000 1.198 341 A HN 0.311 8.612 8.150 0.251 0.000 0.484 342 L N 1.602 122.948 121.223 0.205 0.000 2.513 342 L HA 0.106 nan 4.340 nan 0.000 0.222 342 L C 1.275 178.192 176.870 0.078 0.000 1.096 342 L CA 0.502 55.392 54.840 0.083 0.000 0.857 342 L CB 0.057 42.077 42.059 -0.066 0.000 1.026 342 L HN 0.468 8.901 8.230 0.339 0.000 0.469 343 D N 0.238 120.694 120.400 0.094 0.000 2.149 343 D HA -0.163 nan 4.640 nan 0.000 0.198 343 D C 0.164 176.493 176.300 0.047 0.000 0.990 343 D CA 4.407 58.444 54.000 0.061 0.000 0.839 343 D CB -1.929 38.903 40.800 0.053 0.000 0.948 343 D HN 0.351 8.756 8.370 0.127 0.041 0.460 344 P HA -0.105 nan 4.420 nan 0.000 0.226 344 P C 0.288 177.621 177.300 0.055 0.000 1.153 344 P CA 1.802 64.934 63.100 0.053 0.000 0.777 344 P CB -0.188 31.553 31.700 0.067 0.000 0.794 345 L N -4.567 116.695 121.223 0.065 0.000 2.418 345 L HA -0.090 nan 4.340 nan 0.000 0.218 345 L C -0.881 176.018 176.870 0.049 0.000 1.125 345 L CA 0.748 55.628 54.840 0.067 0.000 0.835 345 L CB 0.206 42.317 42.059 0.087 0.000 0.953 345 L HN -0.567 7.665 8.230 0.071 0.040 0.454 346 I N -1.489 119.102 120.570 0.035 0.000 2.291 346 I HA -0.143 nan 4.170 nan 0.000 0.292 346 I C 0.140 176.255 176.117 -0.002 0.000 1.064 346 I CA 0.574 61.887 61.300 0.022 0.000 1.269 346 I CB -0.613 37.395 38.000 0.013 0.000 1.418 346 I HN -0.799 7.279 8.210 0.035 0.153 0.485 347 T N 4.654 119.217 114.554 0.015 0.000 3.014 347 T HA 0.160 nan 4.350 nan 0.000 0.250 347 T C 0.395 174.857 174.700 -0.397 0.000 1.060 347 T CA -0.067 61.964 62.100 -0.115 0.000 1.040 347 T CB 1.003 69.870 68.868 -0.002 0.000 0.971 347 T HN 0.284 8.568 8.240 0.073 0.000 0.497 348 H N -0.449 118.603 119.070 -0.030 0.000 3.046 348 H HA 0.223 nan 4.556 nan 0.000 0.361 348 H C -2.382 172.918 175.328 -0.046 0.000 1.235 348 H CA -0.463 55.562 56.048 -0.039 0.000 1.146 348 H CB 4.105 33.838 29.762 -0.049 0.000 1.859 348 H HN -0.622 7.730 8.280 0.119 0.000 0.548 349 V N 3.681 123.638 119.914 0.072 0.000 2.509 349 V HA 0.405 nan 4.120 nan 0.000 0.289 349 V C -1.602 174.489 176.094 -0.005 0.000 1.026 349 V CA -0.444 61.864 62.300 0.012 0.000 0.872 349 V CB 1.458 33.279 31.823 -0.004 0.000 1.017 349 V HN 0.255 8.491 8.190 0.076 0.000 0.436 350 L N 7.125 128.325 121.223 -0.038 0.000 2.322 350 L HA 0.707 nan 4.340 nan 0.000 0.269 350 L C -2.419 174.394 176.870 -0.096 0.000 1.012 350 L CA -3.460 51.342 54.840 -0.064 0.000 0.815 350 L CB 2.410 44.416 42.059 -0.088 0.000 1.295 350 L HN 0.645 8.843 8.230 -0.052 0.000 0.438 351 P HA 0.227 nan 4.420 nan 0.000 0.271 351 P C 0.359 177.571 177.300 -0.147 0.000 1.216 351 P CA -0.475 62.568 63.100 -0.095 0.000 0.776 351 P CB 0.360 32.022 31.700 -0.064 0.000 0.881 352 F N 5.984 125.715 119.950 -0.365 0.000 2.085 352 F HA -0.577 nan 4.527 nan 0.000 0.299 352 F C 1.106 176.728 175.800 -0.296 0.000 1.096 352 F CA 4.309 62.022 58.000 -0.477 0.000 1.227 352 F CB 0.265 38.839 39.000 -0.709 0.000 0.983 352 F HN 0.618 8.762 8.300 -0.112 0.089 0.482 353 E N -3.133 116.870 120.200 -0.328 0.000 2.333 353 E HA -0.318 nan 4.350 nan 0.000 0.200 353 E C 1.219 177.636 176.600 -0.304 0.000 1.010 353 E CA 2.592 58.798 56.400 -0.322 0.000 0.841 353 E CB -0.730 28.904 29.700 -0.111 0.000 0.757 353 E HN 0.416 8.717 8.360 -0.080 0.010 0.508 354 K N -2.488 117.742 120.400 -0.282 0.000 2.498 354 K HA 0.176 nan 4.320 nan 0.000 0.207 354 K C 0.411 176.863 176.600 -0.247 0.000 1.033 354 K CA -1.515 54.646 56.287 -0.211 0.000 1.138 354 K CB -0.208 32.207 32.500 -0.142 0.000 0.860 354 K HN 0.005 7.875 8.250 -0.289 0.207 0.490 355 I N 1.009 121.344 120.570 -0.393 0.000 2.248 355 I HA -0.575 nan 4.170 nan 0.000 0.248 355 I C -0.065 175.961 176.117 -0.152 0.000 1.107 355 I CA 4.056 65.108 61.300 -0.413 0.000 1.373 355 I CB 0.026 37.565 38.000 -0.770 0.000 1.055 355 I HN -0.018 7.795 8.210 -0.521 0.085 0.418 356 N N -1.557 117.066 118.700 -0.128 0.000 2.120 356 N HA -0.435 nan 4.740 nan 0.000 0.188 356 N C 1.973 177.508 175.510 0.042 0.000 1.024 356 N CA 3.866 56.922 53.050 0.011 0.000 0.852 356 N CB -0.495 37.990 38.487 -0.004 0.000 1.003 356 N HN 0.129 8.379 8.380 -0.192 0.015 0.424 357 E N 0.575 120.755 120.200 -0.033 0.000 2.110 357 E HA -0.254 nan 4.350 nan 0.000 0.193 357 E C 2.173 178.731 176.600 -0.071 0.000 0.988 357 E CA 2.652 59.023 56.400 -0.048 0.000 0.804 357 E CB -0.437 29.219 29.700 -0.074 0.000 0.745 357 E HN -0.479 7.838 8.360 -0.073 0.000 0.458 358 G N -1.076 107.669 108.800 -0.093 0.000 2.421 358 G HA2 -0.289 nan 3.960 nan 0.000 0.216 358 G HA3 -0.289 nan 3.960 nan 0.000 0.216 358 G C 1.428 176.227 174.900 -0.169 0.000 1.171 358 G CA 2.038 47.034 45.100 -0.174 0.000 0.775 358 G HN -0.366 7.765 8.290 -0.094 0.103 0.543 359 F N 1.094 120.966 119.950 -0.131 0.000 2.234 359 F HA -0.285 nan 4.527 nan 0.000 0.299 359 F C 1.843 177.619 175.800 -0.040 0.000 1.087 359 F CA 4.189 62.157 58.000 -0.054 0.000 1.340 359 F CB -0.031 38.985 39.000 0.027 0.000 1.031 359 F HN -0.212 8.243 8.300 0.257 0.000 0.500 360 D N 0.224 120.692 120.400 0.114 0.000 2.144 360 D HA -0.241 nan 4.640 nan 0.000 0.200 360 D C 2.649 178.937 176.300 -0.019 0.000 0.978 360 D CA 3.881 57.908 54.000 0.045 0.000 0.833 360 D CB -0.246 40.565 40.800 0.018 0.000 0.961 360 D HN -0.181 8.157 8.370 0.112 0.100 0.470 361 L N -0.729 120.442 121.223 -0.087 0.000 2.027 361 L HA -0.347 nan 4.340 nan 0.000 0.206 361 L C 2.143 178.944 176.870 -0.114 0.000 1.074 361 L CA 2.647 57.395 54.840 -0.152 0.000 0.745 361 L CB 0.025 41.891 42.059 -0.322 0.000 0.898 361 L HN -0.312 7.764 8.230 -0.096 0.097 0.433 362 L N -1.632 119.518 121.223 -0.122 0.000 1.971 362 L HA -0.441 nan 4.340 nan 0.000 0.215 362 L C 2.292 179.144 176.870 -0.031 0.000 1.072 362 L CA 3.366 58.148 54.840 -0.096 0.000 0.758 362 L CB -0.222 41.743 42.059 -0.157 0.000 0.889 362 L HN -0.291 7.845 8.230 -0.155 0.000 0.433 363 R N -2.610 117.894 120.500 0.006 0.000 2.159 363 R HA -0.306 nan 4.340 nan 0.000 0.237 363 R C 2.511 178.821 176.300 0.017 0.000 1.131 363 R CA 2.969 59.089 56.100 0.034 0.000 0.982 363 R CB -0.306 30.035 30.300 0.068 0.000 0.868 363 R HN 0.096 8.376 8.270 0.018 0.000 0.453 364 S N -2.728 112.970 115.700 -0.002 0.000 2.562 364 S HA -0.050 nan 4.470 nan 0.000 0.221 364 S C 0.506 175.102 174.600 -0.008 0.000 0.975 364 S CA 0.926 59.123 58.200 -0.005 0.000 0.918 364 S CB 0.564 63.755 63.200 -0.015 0.000 0.772 364 S HN -0.178 7.998 8.310 -0.014 0.126 0.531 365 G N 0.737 109.531 108.800 -0.010 0.000 2.225 365 G HA2 -0.420 nan 3.960 nan 0.000 0.254 365 G HA3 -0.420 nan 3.960 nan 0.000 0.254 365 G C -0.366 174.531 174.900 -0.006 0.000 0.988 365 G CA 0.777 45.872 45.100 -0.008 0.000 0.625 365 G HN -0.107 7.998 8.290 -0.013 0.177 0.527 366 E N 0.932 121.127 120.200 -0.007 0.000 2.338 366 E HA 0.226 nan 4.350 nan 0.000 0.231 366 E C -1.510 175.134 176.600 0.073 0.000 1.231 366 E CA -1.780 54.635 56.400 0.026 0.000 1.490 366 E CB -0.496 29.226 29.700 0.037 0.000 1.360 366 E HN -0.169 8.117 8.360 -0.020 0.061 0.435 367 S N -2.589 113.134 115.700 0.038 0.000 2.607 367 S HA 0.445 nan 4.470 nan 0.000 0.273 367 S C -1.663 172.965 174.600 0.046 0.000 1.148 367 S CA -0.760 57.481 58.200 0.068 0.000 0.833 367 S CB 3.214 66.368 63.200 -0.076 0.000 1.130 367 S HN -0.722 7.514 8.310 0.012 0.082 0.470 368 I N -0.443 120.165 120.570 0.064 0.000 4.274 368 I HA 0.253 nan 4.170 nan 0.000 0.246 368 I C -0.427 175.703 176.117 0.023 0.000 1.052 368 I CA 0.076 61.402 61.300 0.043 0.000 1.840 368 I CB 1.647 39.681 38.000 0.057 0.000 1.576 368 I HN -0.279 7.997 8.210 0.109 0.000 0.451 369 R N -1.074 119.449 120.500 0.038 0.000 2.534 369 R HA 0.321 nan 4.340 nan 0.000 0.301 369 R C -1.814 174.500 176.300 0.024 0.000 0.961 369 R CA -2.010 54.096 56.100 0.010 0.000 0.871 369 R CB 2.568 32.879 30.300 0.020 0.000 1.170 369 R HN -0.203 8.102 8.270 0.058 0.000 0.446 370 T N 5.327 119.860 114.554 -0.034 0.000 2.771 370 T HA 0.478 nan 4.350 nan 0.000 0.281 370 T C -1.347 173.320 174.700 -0.056 0.000 0.982 370 T CA -0.257 61.823 62.100 -0.033 0.000 0.978 370 T CB 1.418 70.210 68.868 -0.127 0.000 0.930 370 T HN 0.441 8.630 8.240 -0.085 0.000 0.447 371 I N 6.539 127.092 120.570 -0.029 0.000 2.336 371 I HA 0.607 nan 4.170 nan 0.000 0.292 371 I C -1.693 174.386 176.117 -0.063 0.000 0.991 371 I CA -1.722 59.559 61.300 -0.032 0.000 1.227 371 I CB 1.156 39.150 38.000 -0.010 0.000 1.366 371 I HN 0.331 8.539 8.210 -0.003 0.000 0.466 372 L N 7.845 129.015 121.223 -0.088 0.000 2.295 372 L HA 0.592 nan 4.340 nan 0.000 0.285 372 L C -0.966 175.778 176.870 -0.209 0.000 1.035 372 L CA -1.680 53.062 54.840 -0.163 0.000 0.806 372 L CB 1.161 43.097 42.059 -0.205 0.000 1.214 372 L HN 0.697 8.788 8.230 -0.054 0.107 0.426 373 T N 0.744 115.164 114.554 -0.223 0.000 2.855 373 T HA 0.684 nan 4.350 nan 0.000 0.281 373 T C -0.217 174.279 174.700 -0.341 0.000 1.007 373 T CA -2.344 59.638 62.100 -0.198 0.000 1.009 373 T CB 1.530 70.362 68.868 -0.061 0.000 0.983 373 T HN 0.411 8.543 8.240 -0.181 0.000 0.455 374 F N 0.000 119.930 119.950 -0.034 0.000 2.286 374 F HA 0.000 nan 4.527 nan 0.000 0.279 374 F CA 0.000 57.948 58.000 -0.087 0.000 1.383 374 F CB 0.000 38.874 39.000 -0.210 0.000 1.145 374 F HN 0.000 8.285 8.300 0.142 0.100 0.574