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 2hxt_1_A DATA FIRST_RESID 2 DATA SEQUENCE RTIIALETHD VRFPTSRELD GSDAMNPDPD YSAAYVVLRT DGAEDLAGYG DATA SEQUENCE LVFTIGRGND VQTAAVAALA EHVVGLSVDK VIADLGAFAR RLTNDSQLRW DATA SEQUENCE LGPEKGVMHM AIGAVINAAW DLAARAANKP LWRFIAELTP EQLVDTIDFR DATA SEQUENCE YLSDALTRDE ALAILRDAQP QRAARTATLI EQGYPAYTTS PGWLGYSDEK DATA SEQUENCE LVRLAKEAVA DGFRTIKLKV GANVQDDIRR CRLARAAIGP DIAMAVDANQ DATA SEQUENCE RWDVGPAIDW MRQLAEFDIA WIEEPTSPDD VLGHAAIRQG ITPVPVSTGE DATA SEQUENCE HTQNRVVFKQ LLQAGAVDLI QIDAARVGGV NENLAILLLA AKFGVRVFPH DATA SEQUENCE AGGVGLCELV QHLAMADFVA ITGKMEDRAI EFVDHLHQHF LDPVRIQHGR DATA SEQUENCE YLAPEVPGFS AEMHPASIAE FSYPDGRFWV EDLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.290 176.300 -0.017 0.000 0.893 2 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 2 R CB 0.000 30.286 30.300 -0.024 0.000 0.687 3 T N 2.044 116.589 114.554 -0.014 0.000 2.906 3 T HA 0.507 4.857 4.350 0.001 0.000 0.295 3 T C -0.035 174.657 174.700 -0.013 0.000 1.061 3 T CA -0.750 61.344 62.100 -0.010 0.000 1.000 3 T CB 1.625 70.493 68.868 -0.001 0.000 1.103 3 T HN 0.327 nan 8.240 nan 0.000 0.486 4 I N 3.169 123.735 120.570 -0.007 0.000 2.436 4 I HA 0.191 4.361 4.170 0.001 0.000 0.289 4 I C 1.445 177.562 176.117 -0.000 0.000 1.083 4 I CA -0.005 61.290 61.300 -0.009 0.000 1.372 4 I CB 0.536 38.542 38.000 0.011 0.000 1.408 4 I HN 0.670 nan 8.210 nan 0.000 0.516 5 I N 3.416 123.982 120.570 -0.008 0.000 3.860 5 I HA 0.553 4.723 4.170 0.001 0.000 0.319 5 I C 0.655 176.770 176.117 -0.002 0.000 1.279 5 I CA 0.016 61.314 61.300 -0.003 0.000 1.220 5 I CB 0.264 38.263 38.000 -0.003 0.000 1.027 5 I HN 0.515 nan 8.210 nan 0.000 0.428 6 A N 1.401 124.217 122.820 -0.007 0.000 2.599 6 A HA 0.667 4.987 4.320 0.001 0.000 0.294 6 A C -1.798 175.777 177.584 -0.015 0.000 1.055 6 A CA -0.499 51.534 52.037 -0.007 0.000 0.683 6 A CB 1.339 20.336 19.000 -0.005 0.000 1.278 6 A HN 0.260 nan 8.150 nan 0.000 0.412 7 L N 1.634 122.850 121.223 -0.012 0.000 2.353 7 L HA 0.553 4.893 4.340 0.001 0.000 0.270 7 L C -0.560 176.291 176.870 -0.032 0.000 1.003 7 L CA -0.127 54.702 54.840 -0.018 0.000 0.862 7 L CB 0.941 43.004 42.059 0.005 0.000 1.221 7 L HN 0.831 nan 8.230 nan 0.000 0.430 8 E N 2.877 123.052 120.200 -0.041 0.000 2.216 8 E HA 0.460 4.811 4.350 0.001 0.000 0.279 8 E C -0.621 175.924 176.600 -0.092 0.000 0.997 8 E CA -0.531 55.834 56.400 -0.059 0.000 0.817 8 E CB 1.686 31.399 29.700 0.022 0.000 1.096 8 E HN 0.568 nan 8.360 nan 0.000 0.393 9 T N 0.211 114.636 114.554 -0.215 0.000 2.893 9 T HA 0.592 4.942 4.350 0.001 0.000 0.291 9 T C -0.843 173.626 174.700 -0.386 0.000 1.028 9 T CA -1.013 60.992 62.100 -0.158 0.000 0.995 9 T CB 1.137 69.966 68.868 -0.064 0.000 1.051 9 T HN 0.438 nan 8.240 nan 0.000 0.470 10 H N 0.107 119.272 119.070 0.158 0.000 2.865 10 H HA 0.522 5.078 4.556 0.000 0.000 0.362 10 H C -1.354 174.058 175.328 0.140 0.000 1.114 10 H CA -0.705 55.442 56.048 0.165 0.000 1.208 10 H CB 1.653 31.556 29.762 0.234 0.000 1.727 10 H HN 0.652 nan 8.280 nan 0.000 0.534 11 D N 3.350 123.867 120.400 0.196 0.000 2.441 11 D HA 0.202 4.842 4.640 0.001 0.000 0.221 11 D C -0.827 175.540 176.300 0.112 0.000 1.156 11 D CA -0.250 53.822 54.000 0.120 0.000 0.896 11 D CB 0.370 41.222 40.800 0.087 0.000 1.028 11 D HN 0.227 nan 8.370 nan 0.000 0.509 12 V N 5.385 125.345 119.914 0.076 0.000 2.417 12 V HA 0.531 4.652 4.120 0.001 0.000 0.291 12 V C 0.383 176.398 176.094 -0.132 0.000 1.024 12 V CA -0.757 61.526 62.300 -0.028 0.000 0.861 12 V CB 1.515 33.287 31.823 -0.085 0.000 0.985 12 V HN 0.358 nan 8.190 nan 0.000 0.436 13 R N 3.845 124.260 120.500 -0.142 0.000 2.628 13 R HA 0.674 5.014 4.340 0.001 0.000 0.288 13 R C -1.730 174.549 176.300 -0.036 0.000 0.980 13 R CA -0.543 55.505 56.100 -0.086 0.000 0.891 13 R CB 2.369 32.546 30.300 -0.205 0.000 1.188 13 R HN 0.526 nan 8.270 nan 0.000 0.450 14 F N 2.588 122.651 119.950 0.188 0.000 2.469 14 F HA 0.356 4.883 4.527 0.000 0.000 0.332 14 F C -1.520 174.312 175.800 0.053 0.000 1.103 14 F CA -2.594 55.340 58.000 -0.111 0.000 0.979 14 F CB 1.727 40.508 39.000 -0.366 0.000 1.137 14 F HN 0.315 nan 8.300 nan 0.000 0.463 15 P HA 0.017 nan 4.420 nan 0.000 0.238 15 P C 0.799 178.098 177.300 -0.001 0.000 1.714 15 P CA 0.174 63.343 63.100 0.116 0.000 0.908 15 P CB -0.568 31.113 31.700 -0.031 0.000 1.893 16 T N -2.880 111.635 114.554 -0.065 0.000 2.929 16 T HA -0.145 4.205 4.350 0.001 0.000 0.271 16 T C 1.826 176.396 174.700 -0.217 0.000 1.085 16 T CA 1.423 63.371 62.100 -0.253 0.000 1.125 16 T CB -0.926 67.604 68.868 -0.564 0.000 0.874 16 T HN 0.292 nan 8.240 nan 0.000 0.494 17 S N 1.516 117.155 115.700 -0.102 0.000 2.474 17 S HA -0.040 4.430 4.470 0.001 0.000 0.235 17 S C 2.081 176.670 174.600 -0.019 0.000 0.997 17 S CA -0.106 58.053 58.200 -0.069 0.000 0.949 17 S CB -0.409 62.788 63.200 -0.005 0.000 0.766 17 S HN 0.320 nan 8.310 nan 0.000 0.517 18 R N 1.651 122.156 120.500 0.009 0.000 2.105 18 R HA 0.025 4.365 4.340 0.001 0.000 0.239 18 R C 1.304 177.619 176.300 0.025 0.000 1.135 18 R CA 1.559 57.681 56.100 0.036 0.000 0.967 18 R CB -0.617 29.716 30.300 0.055 0.000 0.861 18 R HN 0.688 nan 8.270 nan 0.000 0.442 19 E N 0.053 120.256 120.200 0.004 0.000 2.548 19 E HA 0.196 4.546 4.350 0.001 0.000 0.206 19 E C -0.108 176.546 176.600 0.089 0.000 1.005 19 E CA -0.207 56.222 56.400 0.048 0.000 0.951 19 E CB 0.410 30.139 29.700 0.048 0.000 1.035 19 E HN 0.093 nan 8.360 nan 0.000 0.470 20 L N 1.550 122.761 121.223 -0.020 0.000 3.865 20 L HA -0.203 4.137 4.340 0.001 0.000 0.408 20 L C -0.754 175.946 176.870 -0.284 0.000 1.209 20 L CA 0.342 55.123 54.840 -0.097 0.000 0.940 20 L CB -1.393 40.670 42.059 0.006 0.000 1.971 20 L HN 0.235 nan 8.230 nan 0.000 0.899 21 D N 1.071 121.234 120.400 -0.394 0.000 2.390 21 D HA 0.373 5.013 4.640 0.001 0.000 0.249 21 D C 1.349 176.799 176.300 -1.417 0.000 1.144 21 D CA 1.326 54.832 54.000 -0.823 0.000 0.880 21 D CB 1.363 41.661 40.800 -0.837 0.000 1.182 21 D HN 0.417 nan 8.370 nan 0.000 0.451 22 G N 2.024 109.326 108.800 -2.496 0.000 2.175 22 G HA2 -0.292 3.668 3.960 0.001 0.000 0.244 22 G HA3 -0.292 3.668 3.960 0.001 0.000 0.244 22 G C 0.450 174.700 174.900 -1.084 0.000 0.982 22 G CA 0.352 44.036 45.100 -2.360 0.000 0.641 22 G HN 0.719 nan 8.290 nan 0.000 0.527 23 S N 0.582 115.871 115.700 -0.685 0.000 2.560 23 S HA 0.536 5.007 4.470 0.001 0.000 0.284 23 S C 0.004 174.619 174.600 0.024 0.000 1.327 23 S CA 0.702 58.767 58.200 -0.226 0.000 1.055 23 S CB 1.646 64.740 63.200 -0.175 0.000 0.868 23 S HN 1.203 nan 8.310 nan 0.000 0.506 24 D N 0.388 120.805 120.400 0.028 0.000 2.752 24 D HA 0.627 5.267 4.640 0.001 0.000 0.313 24 D C 0.740 177.041 176.300 0.001 0.000 1.225 24 D CA -0.469 53.568 54.000 0.062 0.000 0.976 24 D CB 0.483 41.343 40.800 0.099 0.000 1.443 24 D HN 0.468 nan 8.370 nan 0.000 0.515 25 A N -0.564 122.235 122.820 -0.035 0.000 2.019 25 A HA -0.072 4.248 4.320 0.001 0.000 0.219 25 A C 1.964 179.509 177.584 -0.065 0.000 1.164 25 A CA 2.091 54.094 52.037 -0.058 0.000 0.644 25 A CB -0.745 18.175 19.000 -0.132 0.000 0.805 25 A HN 0.559 nan 8.150 nan 0.000 0.449 26 M N -0.476 119.078 119.600 -0.077 0.000 2.552 26 M HA 0.176 4.656 4.480 0.001 0.000 0.264 26 M C -0.634 175.647 176.300 -0.032 0.000 1.159 26 M CA 0.808 56.070 55.300 -0.064 0.000 1.176 26 M CB 0.298 32.846 32.600 -0.086 0.000 1.327 26 M HN 0.227 nan 8.290 nan 0.000 0.481 27 N N 0.820 119.507 118.700 -0.022 0.000 2.707 27 N HA 0.276 5.017 4.740 0.001 0.000 0.235 27 N C -2.461 173.033 175.510 -0.026 0.000 1.028 27 N CA -1.159 51.882 53.050 -0.015 0.000 0.906 27 N CB 0.954 39.444 38.487 0.006 0.000 1.131 27 N HN 0.130 nan 8.380 nan 0.000 0.509 28 P HA -0.041 nan 4.420 nan 0.000 0.225 28 P C -0.226 177.045 177.300 -0.048 0.000 1.156 28 P CA 1.281 64.364 63.100 -0.027 0.000 0.787 28 P CB 0.276 31.971 31.700 -0.009 0.000 0.802 29 D N -3.425 116.944 120.400 -0.052 0.000 3.220 29 D HA 0.117 4.758 4.640 0.001 0.000 0.309 29 D C -2.827 173.433 176.300 -0.067 0.000 1.276 29 D CA -1.964 51.997 54.000 -0.064 0.000 0.736 29 D CB -0.474 40.309 40.800 -0.028 0.000 1.304 29 D HN 0.108 nan 8.370 nan 0.000 0.582 30 P HA 0.224 nan 4.420 nan 0.000 0.271 30 P C -0.589 176.684 177.300 -0.044 0.000 1.218 30 P CA 0.068 63.149 63.100 -0.032 0.000 0.780 30 P CB 1.304 33.036 31.700 0.053 0.000 0.901 31 D N 2.197 122.616 120.400 0.031 0.000 2.464 31 D HA 0.177 4.817 4.640 0.001 0.000 0.243 31 D C 0.084 176.511 176.300 0.212 0.000 1.104 31 D CA -0.367 53.681 54.000 0.079 0.000 0.883 31 D CB 0.012 40.857 40.800 0.076 0.000 1.050 31 D HN 0.360 nan 8.370 nan 0.000 0.524 32 Y N 1.209 121.560 120.300 0.086 0.000 2.865 32 Y HA -0.070 4.480 4.550 0.001 0.000 0.338 32 Y C 1.025 177.107 175.900 0.303 0.000 1.269 32 Y CA 0.186 58.447 58.100 0.268 0.000 1.585 32 Y CB 0.426 39.046 38.460 0.267 0.000 1.224 32 Y HN 0.112 nan 8.280 nan 0.000 0.554 33 S N 1.820 117.698 115.700 0.296 0.000 2.632 33 S HA 0.837 5.307 4.470 0.001 0.000 0.289 33 S C -0.968 173.763 174.600 0.219 0.000 1.115 33 S CA -0.912 57.401 58.200 0.187 0.000 0.889 33 S CB 2.059 65.239 63.200 -0.035 0.000 1.116 33 S HN 0.705 nan 8.310 nan 0.000 0.486 34 A N 0.872 123.818 122.820 0.209 0.000 2.374 34 A HA 0.804 5.124 4.320 0.001 0.000 0.305 34 A C -0.556 177.143 177.584 0.193 0.000 1.053 34 A CA -0.714 51.471 52.037 0.247 0.000 0.726 34 A CB 1.090 20.294 19.000 0.339 0.000 1.229 34 A HN 1.080 nan 8.150 nan 0.000 0.431 35 A N 2.178 125.101 122.820 0.172 0.000 2.621 35 A HA 0.523 4.843 4.320 0.001 0.000 0.329 35 A C -0.617 177.111 177.584 0.239 0.000 1.458 35 A CA -0.241 51.888 52.037 0.154 0.000 1.052 35 A CB -0.570 18.478 19.000 0.080 0.000 1.142 35 A HN 0.934 nan 8.150 nan 0.000 0.523 36 Y N 2.373 122.765 120.300 0.153 0.000 2.335 36 Y HA 0.431 4.981 4.550 0.001 0.000 0.331 36 Y C -0.022 176.003 175.900 0.209 0.000 1.094 36 Y CA 0.067 58.283 58.100 0.193 0.000 1.253 36 Y CB 1.064 39.650 38.460 0.210 0.000 1.203 36 Y HN 0.447 nan 8.280 nan 0.000 0.508 37 V N 6.973 126.739 119.914 -0.247 0.000 2.789 37 V HA 0.738 4.858 4.120 0.001 0.000 0.311 37 V C -1.741 174.130 176.094 -0.372 0.000 1.073 37 V CA -0.665 61.511 62.300 -0.207 0.000 0.921 37 V CB 2.107 33.887 31.823 -0.072 0.000 1.009 37 V HN 0.554 nan 8.190 nan 0.000 0.426 38 V N 7.159 126.927 119.914 -0.243 0.000 2.531 38 V HA 0.485 4.605 4.120 0.001 0.000 0.301 38 V C -0.386 175.575 176.094 -0.222 0.000 1.034 38 V CA -0.557 61.555 62.300 -0.314 0.000 0.865 38 V CB 1.792 33.496 31.823 -0.197 0.000 0.995 38 V HN 0.731 nan 8.190 nan 0.000 0.424 39 L N 5.635 126.693 121.223 -0.274 0.000 2.270 39 L HA 0.507 4.847 4.340 0.001 0.000 0.286 39 L C 0.556 177.313 176.870 -0.189 0.000 1.059 39 L CA -0.256 54.483 54.840 -0.169 0.000 0.839 39 L CB 0.497 42.469 42.059 -0.144 0.000 1.221 39 L HN 0.546 nan 8.230 nan 0.000 0.431 40 R N 1.662 122.089 120.500 -0.120 0.000 2.410 40 R HA 0.458 4.798 4.340 0.001 0.000 0.288 40 R C 0.159 176.423 176.300 -0.061 0.000 1.051 40 R CA -0.172 55.875 56.100 -0.089 0.000 1.021 40 R CB 1.807 32.083 30.300 -0.041 0.000 1.032 40 R HN 0.594 nan 8.270 nan 0.000 0.481 41 T N -2.452 112.071 114.554 -0.051 0.000 2.907 41 T HA 0.170 4.521 4.350 0.001 0.000 0.290 41 T C 0.215 174.904 174.700 -0.019 0.000 1.066 41 T CA -0.944 61.134 62.100 -0.037 0.000 1.012 41 T CB 1.604 70.444 68.868 -0.047 0.000 1.184 41 T HN 0.568 nan 8.240 nan 0.000 0.522 42 D N -0.645 119.747 120.400 -0.013 0.000 2.370 42 D HA 0.284 4.924 4.640 0.001 0.000 0.230 42 D C 0.944 177.241 176.300 -0.004 0.000 1.143 42 D CA -0.473 53.524 54.000 -0.005 0.000 0.834 42 D CB -0.374 40.424 40.800 -0.003 0.000 0.944 42 D HN 0.733 nan 8.370 nan 0.000 0.504 43 G N -0.190 108.605 108.800 -0.008 0.000 2.849 43 G HA2 0.555 4.515 3.960 0.001 0.000 0.174 43 G HA3 0.555 4.515 3.960 0.001 0.000 0.174 43 G C -0.210 174.691 174.900 0.002 0.000 1.370 43 G CA -0.389 44.707 45.100 -0.006 0.000 1.040 43 G HN 0.348 nan 8.290 nan 0.000 0.582 44 A N -0.901 121.922 122.820 0.005 0.000 2.425 44 A HA 0.398 4.718 4.320 0.001 0.000 0.242 44 A C 1.279 178.878 177.584 0.025 0.000 1.077 44 A CA 0.536 52.583 52.037 0.015 0.000 0.781 44 A CB 0.474 19.484 19.000 0.015 0.000 1.020 44 A HN 0.686 nan 8.150 nan 0.000 0.494 45 E N 0.462 120.684 120.200 0.038 0.000 2.219 45 E HA -0.221 4.129 4.350 0.001 0.000 0.198 45 E C 1.230 177.877 176.600 0.078 0.000 0.998 45 E CA 1.994 58.429 56.400 0.058 0.000 0.818 45 E CB -0.034 29.703 29.700 0.063 0.000 0.741 45 E HN 0.748 nan 8.360 nan 0.000 0.477 46 D N -0.672 119.767 120.400 0.065 0.000 2.224 46 D HA -0.117 4.523 4.640 0.001 0.000 0.205 46 D C 0.161 176.502 176.300 0.068 0.000 0.965 46 D CA 0.199 54.245 54.000 0.078 0.000 0.852 46 D CB -0.050 40.782 40.800 0.053 0.000 0.947 46 D HN 0.212 nan 8.370 nan 0.000 0.494 47 L N 1.017 122.257 121.223 0.030 0.000 2.401 47 L HA 0.494 4.834 4.340 0.001 0.000 0.283 47 L C -0.599 176.250 176.870 -0.035 0.000 1.151 47 L CA -0.042 54.794 54.840 -0.007 0.000 0.942 47 L CB -0.172 41.874 42.059 -0.022 0.000 1.283 47 L HN 0.064 nan 8.230 nan 0.000 0.442 48 A N 2.871 125.657 122.820 -0.057 0.000 2.608 48 A HA 0.812 5.133 4.320 0.001 0.000 0.292 48 A C -0.542 176.875 177.584 -0.279 0.000 1.066 48 A CA -0.163 51.754 52.037 -0.200 0.000 0.676 48 A CB 0.894 19.734 19.000 -0.267 0.000 1.277 48 A HN 0.657 nan 8.150 nan 0.000 0.413 49 G N -0.257 108.302 108.800 -0.402 0.000 2.415 49 G HA2 0.621 4.581 3.960 0.001 0.000 0.327 49 G HA3 0.621 4.581 3.960 0.001 0.000 0.327 49 G C -1.414 173.195 174.900 -0.485 0.000 1.182 49 G CA -0.308 44.618 45.100 -0.289 0.000 0.924 49 G HN 0.505 nan 8.290 nan 0.000 0.470 50 Y N 0.177 120.472 120.300 -0.008 0.000 2.485 50 Y HA 0.754 5.304 4.550 0.001 0.000 0.345 50 Y C 0.729 176.604 175.900 -0.042 0.000 0.998 50 Y CA -0.322 57.742 58.100 -0.061 0.000 1.059 50 Y CB 2.913 41.394 38.460 0.034 0.000 1.234 50 Y HN 0.870 nan 8.280 nan 0.000 0.461 51 G N 1.173 109.988 108.800 0.026 0.000 2.608 51 G HA2 0.707 4.667 3.960 0.001 0.000 0.291 51 G HA3 0.707 4.667 3.960 0.001 0.000 0.291 51 G C -2.237 172.703 174.900 0.066 0.000 1.425 51 G CA -0.976 44.135 45.100 0.019 0.000 0.787 51 G HN 0.771 nan 8.290 nan 0.000 0.484 52 L N -2.761 118.518 121.223 0.092 0.000 2.724 52 L HA 0.832 5.173 4.340 0.001 0.000 0.258 52 L C -1.225 175.723 176.870 0.130 0.000 0.967 52 L CA -1.095 53.855 54.840 0.182 0.000 0.891 52 L CB 1.425 43.696 42.059 0.354 0.000 1.456 52 L HN 0.517 nan 8.230 nan 0.000 0.416 53 V N 1.942 121.939 119.914 0.138 0.000 2.435 53 V HA 0.505 4.625 4.120 0.001 0.000 0.290 53 V C -0.601 175.589 176.094 0.160 0.000 1.030 53 V CA -0.182 62.183 62.300 0.109 0.000 0.881 53 V CB 1.408 33.262 31.823 0.053 0.000 0.983 53 V HN 0.717 nan 8.190 nan 0.000 0.445 54 F N 5.287 125.248 119.950 0.018 0.000 2.411 54 F HA 0.695 5.223 4.527 0.000 0.000 0.350 54 F C 0.430 176.220 175.800 -0.016 0.000 1.114 54 F CA -0.084 57.916 58.000 0.001 0.000 1.135 54 F CB 1.220 40.200 39.000 -0.033 0.000 1.120 54 F HN 0.674 nan 8.300 nan 0.000 0.495 55 T N 3.300 117.327 114.554 -0.878 0.000 2.804 55 T HA 0.542 4.893 4.350 0.001 0.000 0.290 55 T C 0.084 174.237 174.700 -0.912 0.000 1.099 55 T CA -0.587 61.044 62.100 -0.782 0.000 1.011 55 T CB 1.390 70.052 68.868 -0.344 0.000 1.291 55 T HN 0.699 nan 8.240 nan 0.000 0.523 56 I N -1.826 118.451 120.570 -0.489 0.000 3.654 56 I HA 0.707 4.878 4.170 0.001 0.000 0.337 56 I C 0.812 176.847 176.117 -0.137 0.000 1.568 56 I CA -0.449 60.704 61.300 -0.246 0.000 1.115 56 I CB -0.412 37.519 38.000 -0.115 0.000 1.300 56 I HN 1.151 nan 8.210 nan 0.000 0.471 57 G N 1.867 110.555 108.800 -0.186 0.000 2.433 57 G HA2 -0.117 3.843 3.960 0.001 0.000 0.211 57 G HA3 -0.117 3.843 3.960 0.001 0.000 0.211 57 G C -0.306 174.432 174.900 -0.271 0.000 1.214 57 G CA -0.800 44.168 45.100 -0.221 0.000 1.271 57 G HN 0.353 nan 8.290 nan 0.000 0.503 58 R N 1.465 121.827 120.500 -0.231 0.000 2.583 58 R HA 0.358 4.698 4.340 0.001 0.000 0.274 58 R C 1.504 177.705 176.300 -0.165 0.000 0.998 58 R CA 1.663 57.641 56.100 -0.203 0.000 1.081 58 R CB 0.090 30.307 30.300 -0.139 0.000 0.940 58 R HN 2.203 nan 8.270 nan 0.000 0.413 59 G N 2.034 110.747 108.800 -0.144 0.000 2.217 59 G HA2 -0.346 3.614 3.960 0.001 0.000 0.246 59 G HA3 -0.346 3.614 3.960 0.001 0.000 0.246 59 G C 0.829 175.661 174.900 -0.112 0.000 0.990 59 G CA 0.420 45.454 45.100 -0.110 0.000 0.627 59 G HN 0.651 nan 8.290 nan 0.000 0.522 60 N N 1.743 120.353 118.700 -0.149 0.000 2.289 60 N HA -0.057 4.683 4.740 0.001 0.000 0.184 60 N C 1.919 177.387 175.510 -0.071 0.000 1.016 60 N CA 2.000 54.976 53.050 -0.122 0.000 0.872 60 N CB -0.187 38.206 38.487 -0.156 0.000 0.973 60 N HN 0.670 nan 8.380 nan 0.000 0.433 61 D N -0.727 119.632 120.400 -0.069 0.000 2.149 61 D HA -0.099 4.542 4.640 0.001 0.000 0.201 61 D C 1.818 178.107 176.300 -0.018 0.000 0.972 61 D CA 0.716 54.703 54.000 -0.022 0.000 0.835 61 D CB -0.573 40.226 40.800 -0.001 0.000 0.966 61 D HN 0.139 nan 8.370 nan 0.000 0.476 62 V N 0.743 120.638 119.914 -0.031 0.000 2.358 62 V HA -0.236 3.885 4.120 0.001 0.000 0.246 62 V C 2.758 178.842 176.094 -0.018 0.000 1.047 62 V CA 1.743 64.029 62.300 -0.023 0.000 1.035 62 V CB -0.766 31.039 31.823 -0.030 0.000 0.658 62 V HN 0.149 nan 8.190 nan 0.000 0.452 63 Q N 0.394 120.178 119.800 -0.028 0.000 2.124 63 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 63 Q C 2.173 178.173 176.000 0.001 0.000 0.977 63 Q CA 2.487 58.279 55.803 -0.018 0.000 0.850 63 Q CB -0.696 28.021 28.738 -0.035 0.000 0.901 63 Q HN 0.627 nan 8.270 nan 0.000 0.429 64 T N 0.046 114.603 114.554 0.005 0.000 2.777 64 T HA -0.066 4.284 4.350 0.001 0.000 0.266 64 T C 1.688 176.394 174.700 0.010 0.000 1.040 64 T CA 1.249 63.361 62.100 0.020 0.000 1.141 64 T CB -0.517 68.368 68.868 0.028 0.000 0.868 64 T HN 0.454 nan 8.240 nan 0.000 0.444 65 A N 1.352 124.174 122.820 0.003 0.000 1.972 65 A HA 0.183 4.504 4.320 0.001 0.000 0.219 65 A C 2.602 180.190 177.584 0.007 0.000 1.169 65 A CA 1.713 53.751 52.037 0.001 0.000 0.635 65 A CB -0.953 18.046 19.000 -0.001 0.000 0.810 65 A HN 0.500 nan 8.150 nan 0.000 0.446 66 A N -0.535 122.291 122.820 0.010 0.000 1.898 66 A HA 0.021 4.341 4.320 0.001 0.000 0.216 66 A C 2.207 179.805 177.584 0.024 0.000 1.181 66 A CA 1.725 53.773 52.037 0.019 0.000 0.620 66 A CB -0.835 18.176 19.000 0.018 0.000 0.819 66 A HN 0.371 nan 8.150 nan 0.000 0.442 67 V N -0.105 119.822 119.914 0.021 0.000 2.358 67 V HA -0.225 3.896 4.120 0.001 0.000 0.246 67 V C 3.038 179.144 176.094 0.020 0.000 1.047 67 V CA 1.818 64.133 62.300 0.025 0.000 1.035 67 V CB -1.235 30.604 31.823 0.026 0.000 0.658 67 V HN 0.599 nan 8.190 nan 0.000 0.452 68 A N 0.157 122.982 122.820 0.008 0.000 1.978 68 A HA -0.111 4.210 4.320 0.001 0.000 0.220 68 A C 2.287 179.875 177.584 0.006 0.000 1.170 68 A CA 1.843 53.880 52.037 -0.001 0.000 0.636 68 A CB -0.652 18.340 19.000 -0.012 0.000 0.810 68 A HN 0.606 nan 8.150 nan 0.000 0.448 69 A N -0.801 122.028 122.820 0.014 0.000 2.216 69 A HA 0.216 4.537 4.320 0.001 0.000 0.214 69 A C 1.709 179.313 177.584 0.033 0.000 1.160 69 A CA 0.847 52.894 52.037 0.017 0.000 0.725 69 A CB -0.462 18.551 19.000 0.022 0.000 0.784 69 A HN 0.479 nan 8.150 nan 0.000 0.472 70 L N -1.493 119.758 121.223 0.046 0.000 2.592 70 L HA 0.110 4.450 4.340 0.001 0.000 0.227 70 L C 2.616 179.528 176.870 0.070 0.000 1.127 70 L CA 0.399 55.287 54.840 0.080 0.000 0.884 70 L CB -0.211 41.889 42.059 0.069 0.000 1.065 70 L HN 0.381 nan 8.230 nan 0.000 0.457 71 A N 0.703 123.544 122.820 0.035 0.000 1.908 71 A HA -0.266 4.055 4.320 0.001 0.000 0.218 71 A C 2.203 179.797 177.584 0.016 0.000 1.181 71 A CA 2.025 54.077 52.037 0.025 0.000 0.627 71 A CB -0.318 18.685 19.000 0.005 0.000 0.818 71 A HN 0.386 nan 8.150 nan 0.000 0.445 72 E N -0.372 119.816 120.200 -0.020 0.000 2.118 72 E HA -0.233 4.117 4.350 0.001 0.000 0.195 72 E C 1.868 178.427 176.600 -0.068 0.000 0.992 72 E CA 1.782 58.139 56.400 -0.071 0.000 0.804 72 E CB -0.409 29.205 29.700 -0.143 0.000 0.741 72 E HN 0.713 nan 8.360 nan 0.000 0.458 73 H N -1.183 117.872 119.070 -0.026 0.000 2.428 73 H HA 0.040 4.597 4.556 0.001 0.000 0.296 73 H C 1.883 177.187 175.328 -0.039 0.000 1.062 73 H CA 1.594 57.614 56.048 -0.048 0.000 1.350 73 H CB 0.332 30.043 29.762 -0.085 0.000 1.403 73 H HN 0.131 nan 8.280 nan 0.000 0.533 74 V N 0.243 120.231 119.914 0.123 0.000 3.085 74 V HA 0.001 4.121 4.120 0.001 0.000 0.245 74 V C 1.046 177.203 176.094 0.105 0.000 1.114 74 V CA 0.199 62.578 62.300 0.133 0.000 1.108 74 V CB 0.439 32.371 31.823 0.182 0.000 0.798 74 V HN -0.053 nan 8.190 nan 0.000 0.471 75 V N 2.066 122.018 119.914 0.063 0.000 2.540 75 V HA 0.452 4.572 4.120 0.001 0.000 0.297 75 V C 1.448 177.562 176.094 0.034 0.000 1.024 75 V CA 1.536 63.859 62.300 0.039 0.000 1.105 75 V CB -0.046 31.788 31.823 0.019 0.000 0.938 75 V HN 0.686 nan 8.190 nan 0.000 0.482 76 G N 3.869 112.686 108.800 0.030 0.000 2.213 76 G HA2 -0.187 3.773 3.960 0.001 0.000 0.226 76 G HA3 -0.187 3.773 3.960 0.001 0.000 0.226 76 G C 0.076 174.996 174.900 0.032 0.000 0.992 76 G CA -0.146 44.968 45.100 0.024 0.000 0.632 76 G HN 0.553 nan 8.290 nan 0.000 0.511 77 L N 1.787 123.042 121.223 0.053 0.000 2.439 77 L HA 0.483 4.823 4.340 0.001 0.000 0.269 77 L C 1.326 178.218 176.870 0.037 0.000 1.179 77 L CA 0.197 55.075 54.840 0.064 0.000 0.828 77 L CB 1.273 43.408 42.059 0.125 0.000 1.106 77 L HN 0.267 nan 8.230 nan 0.000 0.467 78 S N 1.323 117.040 115.700 0.028 0.000 2.510 78 S HA 0.114 4.584 4.470 0.001 0.000 0.279 78 S C 1.109 175.702 174.600 -0.012 0.000 1.284 78 S CA -0.834 57.370 58.200 0.006 0.000 1.059 78 S CB 1.117 64.320 63.200 0.005 0.000 0.901 78 S HN 0.397 nan 8.310 nan 0.000 0.491 79 V N 4.965 124.860 119.914 -0.032 0.000 2.287 79 V HA -0.138 3.982 4.120 0.001 0.000 0.248 79 V C 2.160 178.209 176.094 -0.074 0.000 1.053 79 V CA 2.159 64.419 62.300 -0.067 0.000 1.027 79 V CB -0.663 31.118 31.823 -0.070 0.000 0.646 79 V HN 0.827 nan 8.190 nan 0.000 0.447 80 D N 0.038 120.408 120.400 -0.050 0.000 2.123 80 D HA -0.186 4.454 4.640 0.001 0.000 0.196 80 D C 2.227 178.501 176.300 -0.043 0.000 0.992 80 D CA 1.382 55.355 54.000 -0.045 0.000 0.833 80 D CB -0.184 40.599 40.800 -0.028 0.000 0.954 80 D HN 0.463 nan 8.370 nan 0.000 0.455 81 K N 0.409 120.793 120.400 -0.027 0.000 2.097 81 K HA -0.043 4.278 4.320 0.001 0.000 0.205 81 K C 2.260 178.848 176.600 -0.020 0.000 1.050 81 K CA 0.341 56.621 56.287 -0.012 0.000 0.938 81 K CB 0.067 32.573 32.500 0.010 0.000 0.718 81 K HN -0.018 nan 8.250 nan 0.000 0.442 82 V N 2.669 122.558 119.914 -0.042 0.000 2.237 82 V HA -0.240 3.881 4.120 0.001 0.000 0.245 82 V C 2.269 178.243 176.094 -0.199 0.000 1.046 82 V CA 1.985 64.226 62.300 -0.097 0.000 1.007 82 V CB -0.525 31.171 31.823 -0.212 0.000 0.638 82 V HN 0.390 nan 8.190 nan 0.000 0.445 83 I N -0.614 119.829 120.570 -0.211 0.000 2.756 83 I HA -0.013 4.157 4.170 0.001 0.000 0.262 83 I C 2.076 178.110 176.117 -0.139 0.000 1.225 83 I CA 1.597 62.758 61.300 -0.232 0.000 1.472 83 I CB -0.519 37.356 38.000 -0.209 0.000 1.094 83 I HN 0.168 nan 8.210 nan 0.000 0.454 84 A N 0.061 122.826 122.820 -0.092 0.000 2.178 84 A HA 0.021 4.341 4.320 0.001 0.000 0.211 84 A C 0.709 178.261 177.584 -0.053 0.000 1.157 84 A CA 0.659 52.663 52.037 -0.053 0.000 0.780 84 A CB -0.058 18.922 19.000 -0.033 0.000 0.828 84 A HN 0.498 nan 8.150 nan 0.000 0.476 85 D N -0.558 119.804 120.400 -0.063 0.000 2.586 85 D HA 0.283 4.923 4.640 0.001 0.000 0.254 85 D C 0.518 176.802 176.300 -0.026 0.000 1.248 85 D CA -0.260 53.722 54.000 -0.029 0.000 0.843 85 D CB 0.006 40.811 40.800 0.009 0.000 1.332 85 D HN 0.130 nan 8.370 nan 0.000 0.523 86 L N 0.707 121.856 121.223 -0.124 0.000 2.362 86 L HA 0.092 4.433 4.340 0.001 0.000 0.219 86 L C 2.385 179.316 176.870 0.102 0.000 1.134 86 L CA 1.267 56.019 54.840 -0.148 0.000 0.807 86 L CB 0.131 41.804 42.059 -0.643 0.000 0.927 86 L HN 0.352 nan 8.230 nan 0.000 0.447 87 G N -0.413 108.447 108.800 0.100 0.000 2.394 87 G HA2 -0.188 3.772 3.960 0.001 0.000 0.214 87 G HA3 -0.188 3.772 3.960 0.001 0.000 0.214 87 G C 1.788 176.756 174.900 0.113 0.000 1.176 87 G CA 0.669 45.850 45.100 0.135 0.000 0.786 87 G HN 0.427 nan 8.290 nan 0.000 0.533 88 A N 0.326 123.201 122.820 0.092 0.000 1.933 88 A HA 0.068 4.388 4.320 0.001 0.000 0.218 88 A C 2.155 179.784 177.584 0.074 0.000 1.175 88 A CA 1.525 53.603 52.037 0.069 0.000 0.628 88 A CB -0.540 18.495 19.000 0.058 0.000 0.814 88 A HN 0.393 nan 8.150 nan 0.000 0.444 89 F N 0.967 120.907 119.950 -0.017 0.000 2.102 89 F HA -0.070 4.458 4.527 0.000 0.000 0.298 89 F C 2.514 178.312 175.800 -0.003 0.000 1.105 89 F CA 1.305 59.292 58.000 -0.021 0.000 1.239 89 F CB -0.411 38.563 39.000 -0.044 0.000 0.991 89 F HN 0.247 nan 8.300 nan 0.000 0.474 90 A N 0.718 123.632 122.820 0.157 0.000 1.877 90 A HA -0.182 4.138 4.320 0.001 0.000 0.216 90 A C 2.321 179.881 177.584 -0.041 0.000 1.186 90 A CA 1.680 53.767 52.037 0.084 0.000 0.620 90 A CB -0.758 18.368 19.000 0.210 0.000 0.822 90 A HN 0.450 nan 8.150 nan 0.000 0.443 91 R N -0.938 119.552 120.500 -0.015 0.000 2.120 91 R HA -0.127 4.213 4.340 0.001 0.000 0.234 91 R C 2.423 178.657 176.300 -0.110 0.000 1.123 91 R CA 1.338 57.417 56.100 -0.035 0.000 0.975 91 R CB -0.334 29.965 30.300 -0.002 0.000 0.866 91 R HN 0.608 nan 8.270 nan 0.000 0.446 92 R N 1.138 121.523 120.500 -0.191 0.000 2.127 92 R HA -0.126 4.214 4.340 0.001 0.000 0.238 92 R C 1.841 177.871 176.300 -0.450 0.000 1.134 92 R CA 1.279 57.207 56.100 -0.288 0.000 0.975 92 R CB -0.041 30.054 30.300 -0.343 0.000 0.865 92 R HN 0.210 nan 8.270 nan 0.000 0.447 93 L N -0.811 120.171 121.223 -0.401 0.000 2.200 93 L HA 0.019 4.359 4.340 0.001 0.000 0.200 93 L C 2.556 179.343 176.870 -0.138 0.000 1.072 93 L CA 1.238 55.870 54.840 -0.348 0.000 0.787 93 L CB -0.641 41.250 42.059 -0.281 0.000 0.957 93 L HN 0.285 nan 8.230 nan 0.000 0.459 94 T N -3.483 111.037 114.554 -0.057 0.000 2.995 94 T HA -0.047 4.304 4.350 0.001 0.000 0.269 94 T C 1.413 176.124 174.700 0.018 0.000 1.091 94 T CA 0.887 63.008 62.100 0.034 0.000 1.128 94 T CB -0.296 68.626 68.868 0.090 0.000 0.891 94 T HN 0.144 nan 8.240 nan 0.000 0.492 95 N N 1.671 120.360 118.700 -0.018 0.000 2.270 95 N HA 0.078 4.818 4.740 0.001 0.000 0.198 95 N C -0.215 175.300 175.510 0.008 0.000 1.117 95 N CA 0.061 53.111 53.050 0.000 0.000 0.845 95 N CB -0.021 38.462 38.487 -0.007 0.000 0.980 95 N HN 0.506 nan 8.380 nan 0.000 0.486 96 D N 0.919 121.316 120.400 -0.004 0.000 2.359 96 D HA 0.014 4.654 4.640 0.001 0.000 0.250 96 D C 1.179 177.527 176.300 0.079 0.000 1.264 96 D CA 0.009 54.038 54.000 0.048 0.000 0.911 96 D CB 0.723 41.569 40.800 0.077 0.000 1.056 96 D HN 0.135 nan 8.370 nan 0.000 0.499 97 S N 3.336 119.086 115.700 0.084 0.000 2.400 97 S HA -0.275 4.195 4.470 0.001 0.000 0.232 97 S C 1.587 176.276 174.600 0.149 0.000 1.025 97 S CA 1.024 59.291 58.200 0.112 0.000 0.993 97 S CB -0.190 63.071 63.200 0.100 0.000 0.808 97 S HN 0.610 nan 8.310 nan 0.000 0.478 98 Q N 0.608 120.478 119.800 0.117 0.000 2.172 98 Q HA 0.179 4.520 4.340 0.001 0.000 0.200 98 Q C 2.231 178.327 176.000 0.159 0.000 0.964 98 Q CA 1.176 57.048 55.803 0.115 0.000 0.855 98 Q CB -0.327 28.442 28.738 0.052 0.000 0.918 98 Q HN 0.561 nan 8.270 nan 0.000 0.444 99 L N -0.022 121.283 121.223 0.137 0.000 2.156 99 L HA -0.089 4.251 4.340 0.001 0.000 0.208 99 L C 2.302 179.251 176.870 0.132 0.000 1.095 99 L CA 0.755 55.673 54.840 0.129 0.000 0.770 99 L CB -0.269 41.856 42.059 0.109 0.000 0.914 99 L HN 0.160 nan 8.230 nan 0.000 0.439 100 R N -0.611 119.968 120.500 0.132 0.000 2.120 100 R HA -0.214 4.126 4.340 0.001 0.000 0.234 100 R C 2.151 178.513 176.300 0.103 0.000 1.123 100 R CA 1.393 57.551 56.100 0.096 0.000 0.975 100 R CB -0.368 29.988 30.300 0.094 0.000 0.866 100 R HN 0.512 nan 8.270 nan 0.000 0.446 101 W N 1.165 122.470 121.300 0.009 0.000 2.350 101 W HA -0.171 4.489 4.660 0.000 0.000 0.289 101 W C 0.889 177.407 176.519 -0.002 0.000 1.215 101 W CA 1.049 58.395 57.345 0.003 0.000 1.236 101 W CB 0.065 29.528 29.460 0.005 0.000 1.130 101 W HN 0.078 nan 8.180 nan 0.000 0.541 102 L N 0.224 121.545 121.223 0.164 0.000 2.551 102 L HA 0.067 4.407 4.340 0.001 0.000 0.228 102 L C 1.967 178.829 176.870 -0.013 0.000 1.153 102 L CA 1.610 56.501 54.840 0.085 0.000 0.851 102 L CB -1.030 41.092 42.059 0.104 0.000 0.959 102 L HN -0.055 nan 8.230 nan 0.000 0.451 103 G N -1.340 107.425 108.800 -0.059 0.000 2.694 103 G HA2 0.308 4.269 3.960 0.001 0.000 0.212 103 G HA3 0.308 4.269 3.960 0.001 0.000 0.212 103 G C -2.357 172.438 174.900 -0.176 0.000 2.030 103 G CA 0.000 45.040 45.100 -0.100 0.000 0.731 103 G HN 0.074 nan 8.290 nan 0.000 0.795 104 P HA 0.373 nan 4.420 nan 0.000 0.282 104 P C -0.906 176.260 177.300 -0.222 0.000 1.249 104 P CA -0.279 62.734 63.100 -0.146 0.000 0.806 104 P CB 0.878 32.511 31.700 -0.110 0.000 0.984 105 E N 0.334 120.324 120.200 -0.349 0.000 2.269 105 E HA -0.248 4.102 4.350 0.001 0.000 0.223 105 E C -0.090 176.157 176.600 -0.588 0.000 1.244 105 E CA 0.791 56.637 56.400 -0.925 0.000 0.713 105 E CB -1.526 27.781 29.700 -0.656 0.000 1.178 105 E HN 0.576 nan 8.360 nan 0.000 0.370 106 K N -2.048 118.217 120.400 -0.226 0.000 2.642 106 K HA 0.615 4.936 4.320 0.001 0.000 0.290 106 K C 0.269 176.876 176.600 0.012 0.000 1.006 106 K CA -0.598 55.656 56.287 -0.054 0.000 0.869 106 K CB 1.464 33.904 32.500 -0.100 0.000 1.499 106 K HN 0.330 nan 8.250 nan 0.000 0.403 107 G N 0.454 109.254 108.800 0.000 0.000 2.645 107 G HA2 -0.278 3.683 3.960 0.001 0.000 0.246 107 G HA3 -0.278 3.683 3.960 0.001 0.000 0.246 107 G C 0.637 175.544 174.900 0.011 0.000 1.322 107 G CA -0.021 45.068 45.100 -0.017 0.000 0.898 107 G HN 0.654 nan 8.290 nan 0.000 0.573 108 V N -0.260 119.649 119.914 -0.007 0.000 2.250 108 V HA -0.297 3.823 4.120 0.001 0.000 0.250 108 V C 2.932 179.043 176.094 0.029 0.000 1.060 108 V CA 3.509 65.808 62.300 -0.001 0.000 1.030 108 V CB -0.714 31.104 31.823 -0.009 0.000 0.643 108 V HN 0.695 nan 8.190 nan 0.000 0.445 109 M N -0.752 118.877 119.600 0.049 0.000 2.159 109 M HA -0.150 4.331 4.480 0.001 0.000 0.263 109 M C 2.045 178.412 176.300 0.112 0.000 1.063 109 M CA 1.892 57.235 55.300 0.071 0.000 1.110 109 M CB -0.755 31.890 32.600 0.075 0.000 1.374 109 M HN 0.503 nan 8.290 nan 0.000 0.411 110 H N -0.854 118.219 119.070 0.005 0.000 2.395 110 H HA 0.035 4.591 4.556 0.000 0.000 0.299 110 H C 1.736 177.076 175.328 0.020 0.000 1.070 110 H CA 1.959 58.015 56.048 0.012 0.000 1.356 110 H CB -0.030 29.735 29.762 0.006 0.000 1.401 110 H HN 0.352 nan 8.280 nan 0.000 0.524 111 M N -0.779 118.830 119.600 0.014 0.000 2.175 111 M HA -0.089 4.391 4.480 0.001 0.000 0.264 111 M C 2.531 178.813 176.300 -0.030 0.000 1.063 111 M CA 1.260 56.535 55.300 -0.041 0.000 1.119 111 M CB -0.168 32.425 32.600 -0.011 0.000 1.377 111 M HN 0.413 nan 8.290 nan 0.000 0.415 112 A N 0.813 123.632 122.820 -0.001 0.000 1.877 112 A HA -0.142 4.179 4.320 0.001 0.000 0.216 112 A C 2.042 179.631 177.584 0.009 0.000 1.186 112 A CA 1.427 53.472 52.037 0.013 0.000 0.620 112 A CB -0.841 18.174 19.000 0.025 0.000 0.822 112 A HN 0.439 nan 8.150 nan 0.000 0.443 113 I N -0.305 120.261 120.570 -0.006 0.000 2.226 113 I HA -0.207 3.963 4.170 0.001 0.000 0.245 113 I C 2.656 178.759 176.117 -0.023 0.000 1.100 113 I CA 1.110 62.403 61.300 -0.012 0.000 1.374 113 I CB -0.529 37.469 38.000 -0.003 0.000 1.057 113 I HN 0.412 nan 8.210 nan 0.000 0.413 114 G N 0.334 109.069 108.800 -0.108 0.000 2.432 114 G HA2 -0.215 3.746 3.960 0.001 0.000 0.219 114 G HA3 -0.215 3.746 3.960 0.001 0.000 0.219 114 G C 1.827 176.741 174.900 0.023 0.000 1.135 114 G CA 0.790 45.844 45.100 -0.077 0.000 0.767 114 G HN 0.495 nan 8.290 nan 0.000 0.550 115 A N 0.045 122.879 122.820 0.023 0.000 1.929 115 A HA 0.166 4.487 4.320 0.001 0.000 0.216 115 A C 2.547 180.180 177.584 0.083 0.000 1.176 115 A CA 1.585 53.648 52.037 0.043 0.000 0.628 115 A CB -0.416 18.606 19.000 0.037 0.000 0.816 115 A HN 0.230 nan 8.150 nan 0.000 0.444 116 V N 0.122 120.101 119.914 0.109 0.000 2.453 116 V HA -0.205 3.916 4.120 0.001 0.000 0.247 116 V C 2.365 178.648 176.094 0.315 0.000 1.048 116 V CA 1.710 64.116 62.300 0.177 0.000 1.049 116 V CB -0.586 31.341 31.823 0.172 0.000 0.672 116 V HN 0.554 nan 8.190 nan 0.000 0.457 117 I N 0.409 121.180 120.570 0.334 0.000 2.252 117 I HA -0.205 3.965 4.170 0.001 0.000 0.245 117 I C 2.374 178.761 176.117 0.450 0.000 1.102 117 I CA 1.316 62.899 61.300 0.472 0.000 1.385 117 I CB -0.452 37.772 38.000 0.373 0.000 1.064 117 I HN 0.343 nan 8.210 nan 0.000 0.414 118 N N 1.159 120.054 118.700 0.325 0.000 2.166 118 N HA -0.137 4.603 4.740 0.001 0.000 0.186 118 N C 1.859 177.592 175.510 0.372 0.000 1.019 118 N CA 1.586 54.871 53.050 0.391 0.000 0.856 118 N CB -0.337 38.243 38.487 0.155 0.000 0.993 118 N HN 0.351 nan 8.380 nan 0.000 0.426 119 A N 0.709 123.644 122.820 0.192 0.000 1.969 119 A HA 0.066 4.387 4.320 0.001 0.000 0.218 119 A C 2.318 179.913 177.584 0.019 0.000 1.169 119 A CA 1.703 53.796 52.037 0.094 0.000 0.635 119 A CB -0.599 18.404 19.000 0.006 0.000 0.810 119 A HN 0.310 nan 8.150 nan 0.000 0.445 120 A N -1.490 121.306 122.820 -0.041 0.000 1.930 120 A HA -0.092 4.229 4.320 0.001 0.000 0.217 120 A C 1.901 179.335 177.584 -0.249 0.000 1.175 120 A CA 1.246 53.073 52.037 -0.350 0.000 0.627 120 A CB -0.771 17.703 19.000 -0.876 0.000 0.815 120 A HN 0.716 nan 8.150 nan 0.000 0.443 121 W N 0.037 121.265 121.300 -0.119 0.000 2.402 121 W HA -0.038 4.622 4.660 0.001 0.000 0.286 121 W C 1.910 178.297 176.519 -0.220 0.000 1.221 121 W CA 1.224 58.481 57.345 -0.145 0.000 1.257 121 W CB -0.256 29.171 29.460 -0.055 0.000 1.120 121 W HN 0.514 nan 8.180 nan 0.000 0.551 122 D N 0.051 120.560 120.400 0.181 0.000 2.117 122 D HA -0.198 4.442 4.640 0.001 0.000 0.197 122 D C 2.066 178.331 176.300 -0.059 0.000 0.987 122 D CA 1.301 55.374 54.000 0.121 0.000 0.829 122 D CB -0.313 40.645 40.800 0.263 0.000 0.961 122 D HN 0.007 nan 8.370 nan 0.000 0.460 123 L N 0.407 121.561 121.223 -0.116 0.000 2.046 123 L HA -0.010 4.331 4.340 0.001 0.000 0.208 123 L C 2.169 178.869 176.870 -0.282 0.000 1.077 123 L CA 2.203 56.933 54.840 -0.183 0.000 0.747 123 L CB -1.018 40.909 42.059 -0.221 0.000 0.896 123 L HN 0.089 nan 8.230 nan 0.000 0.432 124 A N -0.493 122.071 122.820 -0.426 0.000 1.877 124 A HA -0.086 4.234 4.320 0.001 0.000 0.216 124 A C 2.455 179.496 177.584 -0.905 0.000 1.186 124 A CA 1.852 53.503 52.037 -0.645 0.000 0.620 124 A CB -1.221 17.284 19.000 -0.825 0.000 0.822 124 A HN 0.584 nan 8.150 nan 0.000 0.443 125 A N -0.292 121.959 122.820 -0.949 0.000 1.902 125 A HA -0.156 4.164 4.320 0.001 0.000 0.217 125 A C 2.240 179.639 177.584 -0.309 0.000 1.181 125 A CA 1.584 53.187 52.037 -0.724 0.000 0.623 125 A CB -0.457 18.297 19.000 -0.411 0.000 0.818 125 A HN 0.542 nan 8.150 nan 0.000 0.443 126 R N -0.556 119.816 120.500 -0.212 0.000 2.081 126 R HA -0.078 4.263 4.340 0.001 0.000 0.235 126 R C 2.430 178.673 176.300 -0.095 0.000 1.131 126 R CA 1.236 57.279 56.100 -0.095 0.000 0.960 126 R CB -0.448 29.829 30.300 -0.038 0.000 0.856 126 R HN 0.511 nan 8.270 nan 0.000 0.436 127 A N 0.829 123.564 122.820 -0.142 0.000 1.972 127 A HA -0.053 4.267 4.320 0.001 0.000 0.219 127 A C 2.136 179.680 177.584 -0.067 0.000 1.169 127 A CA 1.615 53.591 52.037 -0.102 0.000 0.635 127 A CB -0.369 18.556 19.000 -0.125 0.000 0.810 127 A HN 0.392 nan 8.150 nan 0.000 0.446 128 A N -1.323 121.448 122.820 -0.081 0.000 2.251 128 A HA 0.191 4.512 4.320 0.001 0.000 0.209 128 A C 0.883 178.472 177.584 0.009 0.000 1.187 128 A CA 0.635 52.680 52.037 0.013 0.000 0.823 128 A CB -0.752 18.344 19.000 0.160 0.000 0.846 128 A HN 0.742 nan 8.150 nan 0.000 0.486 129 N N -0.877 117.811 118.700 -0.022 0.000 2.738 129 N HA -0.154 4.586 4.740 0.001 0.000 0.249 129 N C -0.997 174.507 175.510 -0.010 0.000 1.047 129 N CA 0.778 53.822 53.050 -0.010 0.000 0.707 129 N CB -0.754 37.732 38.487 -0.001 0.000 0.937 129 N HN 0.613 nan 8.380 nan 0.000 0.545 130 K N 0.178 120.567 120.400 -0.019 0.000 2.502 130 K HA 0.489 4.810 4.320 0.001 0.000 0.257 130 K C -2.720 173.850 176.600 -0.050 0.000 0.938 130 K CA -1.621 54.644 56.287 -0.037 0.000 0.819 130 K CB 2.367 34.869 32.500 0.002 0.000 1.333 130 K HN -0.039 nan 8.250 nan 0.000 0.434 131 P HA -0.006 nan 4.420 nan 0.000 0.271 131 P C 0.567 177.840 177.300 -0.044 0.000 1.218 131 P CA -0.424 62.686 63.100 0.018 0.000 0.780 131 P CB 0.804 32.559 31.700 0.093 0.000 0.901 132 L N 4.263 125.438 121.223 -0.080 0.000 2.051 132 L HA -0.161 4.180 4.340 0.001 0.000 0.214 132 L C 2.340 179.285 176.870 0.125 0.000 1.076 132 L CA 1.903 56.666 54.840 -0.127 0.000 0.758 132 L CB -1.519 40.134 42.059 -0.676 0.000 0.890 132 L HN 0.562 nan 8.230 nan 0.000 0.433 133 W N -0.201 121.276 121.300 0.295 0.000 2.342 133 W HA -0.223 4.437 4.660 0.001 0.000 0.297 133 W C 2.052 178.647 176.519 0.127 0.000 1.213 133 W CA 1.212 58.658 57.345 0.167 0.000 1.251 133 W CB -1.253 28.282 29.460 0.124 0.000 1.136 133 W HN 0.164 nan 8.180 nan 0.000 0.526 134 R N -0.307 119.815 120.500 -0.629 0.000 2.093 134 R HA -0.080 4.260 4.340 0.001 0.000 0.224 134 R C 2.314 178.506 176.300 -0.180 0.000 1.101 134 R CA 1.572 57.315 56.100 -0.595 0.000 0.979 134 R CB -0.957 28.814 30.300 -0.882 0.000 0.877 134 R HN 0.122 nan 8.270 nan 0.000 0.441 135 F N 1.848 121.683 119.950 -0.192 0.000 2.095 135 F HA -0.201 4.327 4.527 0.001 0.000 0.298 135 F C 1.946 177.755 175.800 0.014 0.000 1.104 135 F CA 1.464 59.418 58.000 -0.076 0.000 1.232 135 F CB -0.224 38.749 39.000 -0.044 0.000 0.987 135 F HN -0.138 nan 8.300 nan 0.000 0.475 136 I N 0.279 120.888 120.570 0.065 0.000 2.142 136 I HA -0.291 3.880 4.170 0.001 0.000 0.240 136 I C 2.632 178.723 176.117 -0.042 0.000 1.078 136 I CA 1.356 62.676 61.300 0.033 0.000 1.343 136 I CB -1.029 37.017 38.000 0.075 0.000 1.046 136 I HN 0.215 nan 8.210 nan 0.000 0.405 137 A N 0.023 122.849 122.820 0.009 0.000 2.125 137 A HA -0.160 4.161 4.320 0.001 0.000 0.219 137 A C 1.927 179.485 177.584 -0.043 0.000 1.156 137 A CA 1.387 53.437 52.037 0.021 0.000 0.671 137 A CB -0.504 18.571 19.000 0.126 0.000 0.794 137 A HN 0.512 nan 8.150 nan 0.000 0.459 138 E N -0.779 119.352 120.200 -0.115 0.000 2.481 138 E HA 0.260 4.610 4.350 0.001 0.000 0.198 138 E C -0.338 176.159 176.600 -0.173 0.000 1.027 138 E CA -0.418 55.904 56.400 -0.130 0.000 0.900 138 E CB 0.207 29.826 29.700 -0.134 0.000 0.993 138 E HN 0.531 nan 8.360 nan 0.000 0.482 139 L N 1.731 122.824 121.223 -0.216 0.000 2.453 139 L HA 0.134 4.474 4.340 0.001 0.000 0.261 139 L C 1.048 177.855 176.870 -0.105 0.000 1.179 139 L CA -0.411 54.301 54.840 -0.213 0.000 0.813 139 L CB 0.632 42.553 42.059 -0.230 0.000 1.110 139 L HN 0.082 nan 8.230 nan 0.000 0.466 140 T N -1.427 113.079 114.554 -0.080 0.000 2.860 140 T HA 0.161 4.511 4.350 0.001 0.000 0.299 140 T C -1.934 172.754 174.700 -0.020 0.000 1.045 140 T CA -1.503 60.571 62.100 -0.043 0.000 1.071 140 T CB 1.075 69.922 68.868 -0.034 0.000 0.985 140 T HN 0.352 nan 8.240 nan 0.000 0.537 141 P HA -0.076 nan 4.420 nan 0.000 0.216 141 P C 1.298 178.615 177.300 0.029 0.000 1.150 141 P CA 1.009 64.118 63.100 0.014 0.000 0.837 141 P CB 0.059 31.764 31.700 0.008 0.000 0.786 142 E N -0.480 119.729 120.200 0.016 0.000 2.051 142 E HA -0.193 4.158 4.350 0.001 0.000 0.192 142 E C 2.150 178.772 176.600 0.036 0.000 0.991 142 E CA 1.253 57.667 56.400 0.024 0.000 0.799 142 E CB -0.902 28.803 29.700 0.008 0.000 0.748 142 E HN 0.375 nan 8.360 nan 0.000 0.449 143 Q N -0.119 119.690 119.800 0.015 0.000 2.124 143 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 143 Q C 2.258 178.292 176.000 0.057 0.000 0.977 143 Q CA 0.987 56.797 55.803 0.013 0.000 0.850 143 Q CB -0.141 28.575 28.738 -0.037 0.000 0.901 143 Q HN 0.286 nan 8.270 nan 0.000 0.429 144 L N 0.084 121.347 121.223 0.066 0.000 2.027 144 L HA -0.162 4.178 4.340 0.001 0.000 0.206 144 L C 2.464 179.424 176.870 0.150 0.000 1.074 144 L CA 1.066 55.975 54.840 0.114 0.000 0.745 144 L CB -0.679 41.428 42.059 0.080 0.000 0.898 144 L HN 0.214 nan 8.230 nan 0.000 0.433 145 V N -3.837 116.175 119.914 0.164 0.000 2.759 145 V HA -0.184 3.936 4.120 0.001 0.000 0.256 145 V C 1.727 177.994 176.094 0.289 0.000 1.080 145 V CA 1.656 64.125 62.300 0.283 0.000 1.101 145 V CB -0.686 31.310 31.823 0.289 0.000 0.698 145 V HN 0.324 nan 8.190 nan 0.000 0.477 146 D N 1.596 122.104 120.400 0.180 0.000 2.264 146 D HA -0.092 4.548 4.640 0.001 0.000 0.208 146 D C 2.371 178.761 176.300 0.151 0.000 0.966 146 D CA 1.933 56.023 54.000 0.151 0.000 0.864 146 D CB -0.114 40.740 40.800 0.090 0.000 0.933 146 D HN 0.790 nan 8.370 nan 0.000 0.499 147 T N -2.206 112.448 114.554 0.168 0.000 3.067 147 T HA 0.124 4.475 4.350 0.001 0.000 0.257 147 T C 1.113 175.893 174.700 0.133 0.000 1.105 147 T CA -0.140 62.078 62.100 0.197 0.000 1.104 147 T CB 0.130 69.216 68.868 0.364 0.000 0.925 147 T HN -0.033 nan 8.240 nan 0.000 0.498 148 I N 2.335 122.928 120.570 0.037 0.000 2.472 148 I HA 0.286 4.456 4.170 0.001 0.000 0.290 148 I C -0.121 175.834 176.117 -0.270 0.000 1.016 148 I CA -0.693 60.478 61.300 -0.216 0.000 1.348 148 I CB 0.923 38.579 38.000 -0.574 0.000 1.417 148 I HN 0.067 nan 8.210 nan 0.000 0.521 149 D N 5.374 125.615 120.400 -0.265 0.000 2.396 149 D HA 0.177 4.818 4.640 0.001 0.000 0.225 149 D C 0.211 176.363 176.300 -0.246 0.000 1.121 149 D CA -0.145 53.770 54.000 -0.141 0.000 0.853 149 D CB 0.500 41.275 40.800 -0.043 0.000 1.043 149 D HN 0.266 nan 8.370 nan 0.000 0.500 150 F N 1.836 121.791 119.950 0.009 0.000 2.797 150 F HA 0.154 4.681 4.527 0.001 0.000 0.302 150 F C 1.650 177.430 175.800 -0.033 0.000 1.130 150 F CA -0.294 57.710 58.000 0.007 0.000 1.387 150 F CB 0.003 39.008 39.000 0.010 0.000 1.107 150 F HN 0.148 nan 8.300 nan 0.000 0.577 151 R N -0.012 120.488 120.500 0.001 0.000 2.623 151 R HA -0.069 4.271 4.340 0.001 0.000 0.271 151 R C -0.181 176.012 176.300 -0.177 0.000 1.043 151 R CA 0.269 56.227 56.100 -0.236 0.000 1.083 151 R CB -0.023 29.963 30.300 -0.522 0.000 0.974 151 R HN 0.284 nan 8.270 nan 0.000 0.436 152 Y N 1.144 121.487 120.300 0.072 0.000 4.907 152 Y HA -0.260 4.290 4.550 0.001 0.000 0.246 152 Y C 0.295 176.239 175.900 0.073 0.000 0.968 152 Y CA 0.652 58.785 58.100 0.056 0.000 1.961 152 Y CB -1.893 36.585 38.460 0.031 0.000 1.487 152 Y HN 0.629 nan 8.280 nan 0.000 0.575 153 L N -0.940 120.408 121.223 0.208 0.000 2.966 153 L HA 0.142 4.482 4.340 0.001 0.000 0.262 153 L C 1.924 178.910 176.870 0.193 0.000 1.165 153 L CA 0.754 55.714 54.840 0.201 0.000 0.978 153 L CB 0.156 42.340 42.059 0.208 0.000 1.337 153 L HN 0.250 nan 8.230 nan 0.000 0.563 154 S N -0.305 115.491 115.700 0.159 0.000 2.465 154 S HA -0.186 4.284 4.470 0.001 0.000 0.241 154 S C 1.370 176.033 174.600 0.105 0.000 1.000 154 S CA 1.354 59.623 58.200 0.116 0.000 0.964 154 S CB -0.368 62.878 63.200 0.077 0.000 0.763 154 S HN 0.594 nan 8.310 nan 0.000 0.512 155 D N 0.852 121.325 120.400 0.121 0.000 2.349 155 D HA 0.293 4.933 4.640 0.001 0.000 0.215 155 D C 1.362 177.750 176.300 0.147 0.000 1.016 155 D CA 0.769 54.838 54.000 0.114 0.000 0.870 155 D CB 0.066 40.931 40.800 0.108 0.000 0.917 155 D HN 0.602 nan 8.370 nan 0.000 0.524 156 A N -0.294 122.635 122.820 0.183 0.000 2.027 156 A HA 0.395 4.715 4.320 0.001 0.000 0.196 156 A C 0.254 177.985 177.584 0.245 0.000 1.573 156 A CA -0.091 52.105 52.037 0.265 0.000 1.097 156 A CB 0.671 19.870 19.000 0.333 0.000 1.196 156 A HN 0.147 nan 8.150 nan 0.000 0.462 157 L N 1.436 122.792 121.223 0.222 0.000 2.611 157 L HA 0.511 4.851 4.340 0.001 0.000 0.263 157 L C -0.215 176.807 176.870 0.253 0.000 0.969 157 L CA 0.205 55.183 54.840 0.229 0.000 0.894 157 L CB 1.531 43.751 42.059 0.269 0.000 1.229 157 L HN 0.322 nan 8.230 nan 0.000 0.416 158 T N 0.096 114.715 114.554 0.108 0.000 2.881 158 T HA 0.376 4.727 4.350 0.001 0.000 0.278 158 T C 1.093 175.597 174.700 -0.327 0.000 0.982 158 T CA -0.298 61.761 62.100 -0.069 0.000 0.989 158 T CB 1.401 70.215 68.868 -0.090 0.000 1.058 158 T HN 0.724 nan 8.240 nan 0.000 0.529 159 R N 0.146 120.133 120.500 -0.855 0.000 2.091 159 R HA -0.144 4.196 4.340 0.001 0.000 0.238 159 R C 1.331 177.429 176.300 -0.336 0.000 1.136 159 R CA 2.023 57.518 56.100 -1.009 0.000 0.959 159 R CB -0.601 29.160 30.300 -0.897 0.000 0.856 159 R HN 0.709 nan 8.270 nan 0.000 0.437 160 D N 0.385 120.648 120.400 -0.228 0.000 2.144 160 D HA -0.141 4.500 4.640 0.001 0.000 0.199 160 D C 1.719 177.983 176.300 -0.061 0.000 0.984 160 D CA 1.285 55.218 54.000 -0.112 0.000 0.834 160 D CB -0.098 40.648 40.800 -0.089 0.000 0.955 160 D HN 0.439 nan 8.370 nan 0.000 0.465 161 E N 0.350 120.521 120.200 -0.047 0.000 2.106 161 E HA -0.064 4.287 4.350 0.001 0.000 0.192 161 E C 2.074 178.695 176.600 0.035 0.000 0.984 161 E CA 0.881 57.281 56.400 -0.000 0.000 0.806 161 E CB 0.004 29.716 29.700 0.019 0.000 0.750 161 E HN 0.185 nan 8.360 nan 0.000 0.458 162 A N 1.064 123.928 122.820 0.074 0.000 1.898 162 A HA -0.137 4.183 4.320 0.001 0.000 0.216 162 A C 2.161 179.793 177.584 0.079 0.000 1.181 162 A CA 0.911 53.029 52.037 0.135 0.000 0.620 162 A CB -0.573 18.612 19.000 0.309 0.000 0.819 162 A HN 0.136 nan 8.150 nan 0.000 0.442 163 L N -0.751 120.497 121.223 0.041 0.000 2.046 163 L HA -0.227 4.113 4.340 0.001 0.000 0.208 163 L C 3.118 179.994 176.870 0.010 0.000 1.077 163 L CA 1.084 55.936 54.840 0.021 0.000 0.747 163 L CB -0.504 41.550 42.059 -0.008 0.000 0.896 163 L HN 0.460 nan 8.230 nan 0.000 0.432 164 A N 0.282 123.104 122.820 0.003 0.000 1.877 164 A HA -0.204 4.117 4.320 0.001 0.000 0.216 164 A C 2.185 179.770 177.584 0.002 0.000 1.186 164 A CA 1.631 53.667 52.037 -0.003 0.000 0.620 164 A CB -0.671 18.324 19.000 -0.008 0.000 0.822 164 A HN 0.365 nan 8.150 nan 0.000 0.443 165 I N -0.414 120.164 120.570 0.012 0.000 2.179 165 I HA -0.264 3.907 4.170 0.001 0.000 0.242 165 I C 2.362 178.482 176.117 0.006 0.000 1.088 165 I CA 1.212 62.518 61.300 0.011 0.000 1.357 165 I CB -0.359 37.657 38.000 0.027 0.000 1.051 165 I HN 0.290 nan 8.210 nan 0.000 0.409 166 L N 0.053 121.286 121.223 0.015 0.000 2.093 166 L HA -0.156 4.185 4.340 0.001 0.000 0.208 166 L C 2.699 179.567 176.870 -0.004 0.000 1.085 166 L CA 1.268 56.113 54.840 0.009 0.000 0.755 166 L CB -0.520 41.552 42.059 0.023 0.000 0.904 166 L HN 0.148 nan 8.230 nan 0.000 0.435 167 R N -0.188 120.310 120.500 -0.003 0.000 2.115 167 R HA -0.120 4.220 4.340 0.001 0.000 0.226 167 R C 1.763 178.053 176.300 -0.015 0.000 1.100 167 R CA 1.125 57.219 56.100 -0.010 0.000 0.980 167 R CB -0.245 30.049 30.300 -0.009 0.000 0.875 167 R HN 0.289 nan 8.270 nan 0.000 0.445 168 D N 0.500 120.891 120.400 -0.015 0.000 2.218 168 D HA -0.101 4.540 4.640 0.001 0.000 0.204 168 D C 1.531 177.814 176.300 -0.029 0.000 0.976 168 D CA 1.283 55.271 54.000 -0.020 0.000 0.853 168 D CB -0.003 40.786 40.800 -0.019 0.000 0.939 168 D HN 0.262 nan 8.370 nan 0.000 0.481 169 A N 0.253 123.054 122.820 -0.032 0.000 2.081 169 A HA -0.075 4.245 4.320 0.001 0.000 0.214 169 A C 1.978 179.535 177.584 -0.045 0.000 1.158 169 A CA 0.361 52.369 52.037 -0.048 0.000 0.724 169 A CB -0.233 18.735 19.000 -0.055 0.000 0.826 169 A HN 0.130 nan 8.150 nan 0.000 0.463 170 Q N -0.081 119.700 119.800 -0.032 0.000 2.096 170 Q HA -0.203 4.137 4.340 0.001 0.000 0.208 170 Q C -0.521 175.462 176.000 -0.028 0.000 0.993 170 Q CA 2.069 57.856 55.803 -0.028 0.000 0.862 170 Q CB -1.399 27.326 28.738 -0.022 0.000 0.915 170 Q HN 0.497 nan 8.270 nan 0.000 0.416 171 P HA -0.155 nan 4.420 nan 0.000 0.218 171 P C 0.916 178.199 177.300 -0.028 0.000 1.148 171 P CA 1.226 64.311 63.100 -0.024 0.000 0.822 171 P CB 0.072 31.759 31.700 -0.023 0.000 0.784 172 Q N -1.684 118.091 119.800 -0.042 0.000 2.282 172 Q HA 0.155 4.495 4.340 0.001 0.000 0.206 172 Q C 1.873 177.837 176.000 -0.059 0.000 0.878 172 Q CA 0.102 55.874 55.803 -0.052 0.000 0.944 172 Q CB 0.011 28.703 28.738 -0.076 0.000 1.100 172 Q HN 0.335 nan 8.270 nan 0.000 0.509 173 R N 0.619 121.091 120.500 -0.046 0.000 2.094 173 R HA -0.158 4.183 4.340 0.001 0.000 0.239 173 R C 2.136 178.441 176.300 0.009 0.000 1.137 173 R CA 1.705 57.788 56.100 -0.029 0.000 0.943 173 R CB -0.336 29.954 30.300 -0.016 0.000 0.850 173 R HN 0.213 nan 8.270 nan 0.000 0.433 174 A N 1.048 123.875 122.820 0.012 0.000 1.877 174 A HA -0.142 4.179 4.320 0.001 0.000 0.216 174 A C 2.379 179.993 177.584 0.050 0.000 1.186 174 A CA 1.806 53.863 52.037 0.034 0.000 0.620 174 A CB -0.731 18.280 19.000 0.019 0.000 0.822 174 A HN 0.446 nan 8.150 nan 0.000 0.443 175 A N -0.271 122.566 122.820 0.029 0.000 1.902 175 A HA -0.171 4.149 4.320 0.001 0.000 0.217 175 A C 2.239 179.863 177.584 0.067 0.000 1.181 175 A CA 1.592 53.652 52.037 0.038 0.000 0.623 175 A CB -0.461 18.547 19.000 0.014 0.000 0.818 175 A HN 0.561 nan 8.150 nan 0.000 0.443 176 R N -0.987 119.532 120.500 0.032 0.000 2.096 176 R HA -0.073 4.267 4.340 0.001 0.000 0.235 176 R C 2.228 178.683 176.300 0.259 0.000 1.127 176 R CA 1.713 57.849 56.100 0.060 0.000 0.968 176 R CB -0.684 29.442 30.300 -0.290 0.000 0.861 176 R HN 0.519 nan 8.270 nan 0.000 0.440 177 T N 0.877 115.563 114.554 0.220 0.000 2.746 177 T HA -0.149 4.201 4.350 0.001 0.000 0.267 177 T C 1.953 176.817 174.700 0.275 0.000 1.039 177 T CA 1.454 63.756 62.100 0.337 0.000 1.142 177 T CB -0.227 68.809 68.868 0.280 0.000 0.866 177 T HN 0.384 nan 8.240 nan 0.000 0.444 178 A N 1.263 124.191 122.820 0.180 0.000 1.902 178 A HA -0.121 4.199 4.320 0.001 0.000 0.217 178 A C 2.569 180.224 177.584 0.118 0.000 1.181 178 A CA 2.064 54.181 52.037 0.134 0.000 0.623 178 A CB -1.263 17.792 19.000 0.091 0.000 0.818 178 A HN 0.462 nan 8.150 nan 0.000 0.443 179 T N 0.103 114.740 114.554 0.138 0.000 2.746 179 T HA -0.146 4.204 4.350 0.001 0.000 0.267 179 T C 1.844 176.569 174.700 0.042 0.000 1.039 179 T CA 1.591 63.756 62.100 0.109 0.000 1.142 179 T CB -0.368 68.612 68.868 0.187 0.000 0.866 179 T HN 0.344 nan 8.240 nan 0.000 0.444 180 L N 1.004 122.274 121.223 0.078 0.000 2.056 180 L HA 0.090 4.430 4.340 0.001 0.000 0.207 180 L C 2.132 178.950 176.870 -0.087 0.000 1.078 180 L CA 1.501 56.279 54.840 -0.104 0.000 0.749 180 L CB -0.650 41.330 42.059 -0.133 0.000 0.901 180 L HN 0.266 nan 8.230 nan 0.000 0.433 181 I N -0.421 120.169 120.570 0.034 0.000 2.286 181 I HA -0.280 3.890 4.170 0.001 0.000 0.248 181 I C 2.504 178.634 176.117 0.023 0.000 1.115 181 I CA 1.762 63.103 61.300 0.069 0.000 1.392 181 I CB -0.242 37.859 38.000 0.168 0.000 1.065 181 I HN 0.478 nan 8.210 nan 0.000 0.418 182 E N 0.491 120.701 120.200 0.016 0.000 2.122 182 E HA -0.164 4.186 4.350 0.001 0.000 0.190 182 E C 2.018 178.600 176.600 -0.031 0.000 0.977 182 E CA 0.703 57.102 56.400 -0.000 0.000 0.820 182 E CB 0.221 29.927 29.700 0.011 0.000 0.770 182 E HN 0.522 nan 8.360 nan 0.000 0.462 183 Q N -0.342 119.422 119.800 -0.060 0.000 2.378 183 Q HA 0.228 4.568 4.340 0.001 0.000 0.216 183 Q C 0.640 176.569 176.000 -0.118 0.000 0.892 183 Q CA 0.265 56.015 55.803 -0.089 0.000 0.931 183 Q CB 1.486 30.157 28.738 -0.111 0.000 1.086 183 Q HN 0.297 nan 8.270 nan 0.000 0.528 184 G N 1.141 109.860 108.800 -0.135 0.000 2.760 184 G HA2 -0.305 3.655 3.960 0.001 0.000 0.246 184 G HA3 -0.305 3.655 3.960 0.001 0.000 0.246 184 G C -1.442 173.368 174.900 -0.149 0.000 1.359 184 G CA -0.540 44.484 45.100 -0.125 0.000 0.861 184 G HN 0.211 nan 8.290 nan 0.000 0.541 185 Y N 0.956 121.128 120.300 -0.214 0.000 2.409 185 Y HA 0.616 5.166 4.550 0.001 0.000 0.343 185 Y C -2.069 173.769 175.900 -0.103 0.000 0.973 185 Y CA -2.173 55.784 58.100 -0.238 0.000 1.064 185 Y CB 2.201 40.485 38.460 -0.294 0.000 1.207 185 Y HN 0.498 nan 8.280 nan 0.000 0.452 186 P HA 0.206 nan 4.420 nan 0.000 0.265 186 P C -1.324 176.162 177.300 0.309 0.000 1.187 186 P CA 0.464 63.622 63.100 0.096 0.000 0.766 186 P CB 0.645 32.324 31.700 -0.034 0.000 0.820 187 A N 3.193 126.192 122.820 0.299 0.000 2.479 187 A HA 0.835 5.155 4.320 0.001 0.000 0.296 187 A C -1.522 176.397 177.584 0.559 0.000 1.121 187 A CA -0.513 51.787 52.037 0.438 0.000 0.743 187 A CB 1.176 20.383 19.000 0.345 0.000 1.323 187 A HN 0.601 nan 8.150 nan 0.000 0.415 188 Y N -1.394 119.175 120.300 0.448 0.000 2.581 188 Y HA 0.818 5.368 4.550 0.000 0.000 0.345 188 Y C -0.443 175.505 175.900 0.079 0.000 1.036 188 Y CA -0.624 57.676 58.100 0.335 0.000 1.042 188 Y CB 1.499 40.173 38.460 0.357 0.000 1.289 188 Y HN 0.691 nan 8.280 nan 0.000 0.471 189 T N 0.806 115.252 114.554 -0.179 0.000 2.863 189 T HA 0.430 4.780 4.350 0.001 0.000 0.285 189 T C -0.036 174.535 174.700 -0.215 0.000 1.009 189 T CA -0.268 61.572 62.100 -0.432 0.000 0.989 189 T CB 1.459 69.756 68.868 -0.952 0.000 1.004 189 T HN 0.894 nan 8.240 nan 0.000 0.455 190 T N 2.437 116.808 114.554 -0.305 0.000 3.001 190 T HA 0.105 4.455 4.350 0.001 0.000 0.251 190 T C 2.125 176.354 174.700 -0.785 0.000 1.040 190 T CA 0.091 61.926 62.100 -0.441 0.000 0.985 190 T CB 0.088 68.690 68.868 -0.444 0.000 1.011 190 T HN 0.544 nan 8.240 nan 0.000 0.509 191 S N 2.506 117.903 115.700 -0.504 0.000 2.420 191 S HA -0.062 4.408 4.470 0.001 0.000 0.237 191 S C -0.800 173.668 174.600 -0.221 0.000 1.023 191 S CA 1.167 59.175 58.200 -0.319 0.000 0.991 191 S CB -0.803 62.348 63.200 -0.082 0.000 0.792 191 S HN 0.458 nan 8.310 nan 0.000 0.488 192 P HA 0.110 nan 4.420 nan 0.000 0.227 192 P C 1.152 178.422 177.300 -0.050 0.000 1.161 192 P CA 0.691 63.770 63.100 -0.035 0.000 0.788 192 P CB -0.126 31.537 31.700 -0.062 0.000 0.822 193 G N -1.682 106.929 108.800 -0.315 0.000 3.189 193 G HA2 -0.003 3.957 3.960 0.001 0.000 0.225 193 G HA3 -0.003 3.957 3.960 0.001 0.000 0.225 193 G C -0.276 174.456 174.900 -0.281 0.000 1.159 193 G CA -0.444 44.493 45.100 -0.271 0.000 0.763 193 G HN 0.171 nan 8.290 nan 0.000 0.549 194 W N -0.068 121.066 121.300 -0.277 0.000 2.343 194 W HA 0.159 4.820 4.660 0.000 0.000 0.337 194 W C 1.350 177.643 176.519 -0.376 0.000 1.320 194 W CA -1.298 55.772 57.345 -0.460 0.000 1.290 194 W CB 0.750 29.673 29.460 -0.894 0.000 1.206 194 W HN -0.030 nan 8.180 nan 0.000 0.565 195 L N 4.203 125.456 121.223 0.051 0.000 2.265 195 L HA -0.040 4.300 4.340 0.001 0.000 0.215 195 L C 2.126 179.017 176.870 0.036 0.000 1.117 195 L CA 2.162 57.023 54.840 0.035 0.000 0.782 195 L CB -0.964 41.122 42.059 0.045 0.000 0.914 195 L HN 0.667 nan 8.230 nan 0.000 0.441 196 G N -2.347 106.449 108.800 -0.006 0.000 2.744 196 G HA2 -0.140 3.821 3.960 0.001 0.000 0.211 196 G HA3 -0.140 3.821 3.960 0.001 0.000 0.211 196 G C 0.165 175.188 174.900 0.205 0.000 1.143 196 G CA -0.227 44.908 45.100 0.058 0.000 0.788 196 G HN 0.203 nan 8.290 nan 0.000 0.534 197 Y N 1.648 122.009 120.300 0.102 0.000 2.326 197 Y HA 0.370 4.920 4.550 0.000 0.000 0.333 197 Y C 1.295 177.228 175.900 0.056 0.000 1.240 197 Y CA -1.849 56.301 58.100 0.083 0.000 1.365 197 Y CB 0.734 39.256 38.460 0.104 0.000 1.289 197 Y HN 0.071 nan 8.280 nan 0.000 0.548 198 S N 0.458 116.273 115.700 0.192 0.000 2.600 198 S HA 0.067 4.537 4.470 0.001 0.000 0.265 198 S C 0.614 175.269 174.600 0.091 0.000 1.325 198 S CA -0.576 57.686 58.200 0.104 0.000 1.002 198 S CB 0.772 64.006 63.200 0.056 0.000 0.921 198 S HN 0.575 nan 8.310 nan 0.000 0.554 199 D N 1.085 121.520 120.400 0.059 0.000 2.144 199 D HA -0.069 4.571 4.640 0.001 0.000 0.199 199 D C 1.785 178.102 176.300 0.028 0.000 0.984 199 D CA 1.473 55.497 54.000 0.040 0.000 0.834 199 D CB -0.392 40.422 40.800 0.024 0.000 0.955 199 D HN 0.695 nan 8.370 nan 0.000 0.465 200 E N 0.660 120.873 120.200 0.020 0.000 2.077 200 E HA -0.144 4.207 4.350 0.001 0.000 0.193 200 E C 1.912 178.509 176.600 -0.004 0.000 0.989 200 E CA 0.894 57.298 56.400 0.006 0.000 0.800 200 E CB -0.134 29.566 29.700 0.001 0.000 0.746 200 E HN 0.239 nan 8.360 nan 0.000 0.452 201 K N 0.214 120.607 120.400 -0.012 0.000 2.057 201 K HA -0.110 4.211 4.320 0.001 0.000 0.206 201 K C 2.047 178.640 176.600 -0.011 0.000 1.050 201 K CA 0.761 57.011 56.287 -0.062 0.000 0.935 201 K CB -0.144 32.254 32.500 -0.170 0.000 0.715 201 K HN 0.101 nan 8.250 nan 0.000 0.439 202 L N 0.889 122.150 121.223 0.063 0.000 1.989 202 L HA -0.174 4.166 4.340 0.001 0.000 0.211 202 L C 1.928 178.817 176.870 0.031 0.000 1.071 202 L CA 1.654 56.546 54.840 0.086 0.000 0.749 202 L CB -0.615 41.490 42.059 0.077 0.000 0.890 202 L HN -0.002 nan 8.230 nan 0.000 0.431 203 V N 0.270 120.193 119.914 0.015 0.000 2.295 203 V HA -0.292 3.828 4.120 0.001 0.000 0.246 203 V C 2.827 178.923 176.094 0.004 0.000 1.049 203 V CA 2.204 64.506 62.300 0.004 0.000 1.024 203 V CB -0.833 30.991 31.823 0.002 0.000 0.648 203 V HN 0.589 nan 8.190 nan 0.000 0.447 204 R N -0.087 120.412 120.500 -0.001 0.000 2.083 204 R HA -0.149 4.191 4.340 0.001 0.000 0.237 204 R C 2.276 178.577 176.300 0.001 0.000 1.137 204 R CA 1.789 57.886 56.100 -0.004 0.000 0.951 204 R CB -0.308 29.982 30.300 -0.018 0.000 0.851 204 R HN 0.454 nan 8.270 nan 0.000 0.434 205 L N 0.172 121.395 121.223 -0.000 0.000 2.141 205 L HA -0.061 4.279 4.340 0.001 0.000 0.209 205 L C 2.730 179.609 176.870 0.014 0.000 1.094 205 L CA 1.028 55.875 54.840 0.011 0.000 0.763 205 L CB -0.532 41.542 42.059 0.025 0.000 0.908 205 L HN 0.347 nan 8.230 nan 0.000 0.437 206 A N 0.378 123.204 122.820 0.009 0.000 1.902 206 A HA -0.219 4.102 4.320 0.001 0.000 0.217 206 A C 2.341 179.939 177.584 0.023 0.000 1.181 206 A CA 1.660 53.700 52.037 0.005 0.000 0.623 206 A CB -0.312 18.685 19.000 -0.004 0.000 0.818 206 A HN 0.301 nan 8.150 nan 0.000 0.443 207 K N -0.355 120.058 120.400 0.022 0.000 2.057 207 K HA -0.140 4.180 4.320 0.001 0.000 0.207 207 K C 1.965 178.590 176.600 0.041 0.000 1.049 207 K CA 1.563 57.866 56.287 0.028 0.000 0.931 207 K CB -0.183 32.328 32.500 0.018 0.000 0.714 207 K HN 0.617 nan 8.250 nan 0.000 0.440 208 E N 0.518 120.743 120.200 0.042 0.000 2.110 208 E HA -0.177 4.173 4.350 0.001 0.000 0.193 208 E C 2.047 178.710 176.600 0.103 0.000 0.988 208 E CA 0.930 57.364 56.400 0.057 0.000 0.804 208 E CB -0.090 29.638 29.700 0.047 0.000 0.745 208 E HN 0.319 nan 8.360 nan 0.000 0.458 209 A N 1.031 123.918 122.820 0.111 0.000 1.877 209 A HA -0.155 4.166 4.320 0.001 0.000 0.216 209 A C 2.517 180.269 177.584 0.281 0.000 1.186 209 A CA 1.289 53.452 52.037 0.209 0.000 0.620 209 A CB -0.691 18.344 19.000 0.057 0.000 0.822 209 A HN 0.119 nan 8.150 nan 0.000 0.443 210 V N -0.164 119.843 119.914 0.154 0.000 2.427 210 V HA -0.208 3.912 4.120 0.001 0.000 0.248 210 V C 3.005 179.148 176.094 0.080 0.000 1.051 210 V CA 1.799 64.171 62.300 0.121 0.000 1.048 210 V CB -1.199 30.668 31.823 0.073 0.000 0.666 210 V HN 0.609 nan 8.190 nan 0.000 0.456 211 A N -0.374 122.486 122.820 0.067 0.000 2.019 211 A HA -0.215 4.105 4.320 0.001 0.000 0.219 211 A C 1.826 179.426 177.584 0.027 0.000 1.164 211 A CA 1.782 53.840 52.037 0.036 0.000 0.644 211 A CB -0.452 18.567 19.000 0.032 0.000 0.805 211 A HN 0.527 nan 8.150 nan 0.000 0.449 212 D N -1.419 119.016 120.400 0.058 0.000 2.349 212 D HA 0.241 4.881 4.640 0.001 0.000 0.224 212 D C 1.406 177.613 176.300 -0.154 0.000 1.029 212 D CA 1.150 55.146 54.000 -0.007 0.000 0.879 212 D CB 0.191 41.041 40.800 0.082 0.000 0.906 212 D HN 0.597 nan 8.370 nan 0.000 0.528 213 G N 0.255 108.997 108.800 -0.096 0.000 2.179 213 G HA2 -0.255 3.705 3.960 0.001 0.000 0.220 213 G HA3 -0.255 3.705 3.960 0.001 0.000 0.220 213 G C 0.197 174.985 174.900 -0.186 0.000 0.990 213 G CA -0.559 44.445 45.100 -0.160 0.000 0.646 213 G HN 0.255 nan 8.290 nan 0.000 0.517 214 F N 1.335 121.282 119.950 -0.005 0.000 2.538 214 F HA 0.448 4.976 4.527 0.001 0.000 0.371 214 F C 1.811 177.640 175.800 0.048 0.000 1.087 214 F CA -0.324 57.691 58.000 0.025 0.000 1.250 214 F CB 0.747 39.772 39.000 0.042 0.000 1.110 214 F HN -0.138 nan 8.300 nan 0.000 0.570 215 R N 1.048 121.688 120.500 0.234 0.000 2.317 215 R HA 0.174 4.515 4.340 0.001 0.000 0.208 215 R C -0.241 176.171 176.300 0.188 0.000 0.914 215 R CA 0.272 56.471 56.100 0.164 0.000 1.060 215 R CB -0.037 30.334 30.300 0.118 0.000 1.015 215 R HN 0.532 nan 8.270 nan 0.000 0.498 216 T N 1.267 115.979 114.554 0.262 0.000 2.956 216 T HA 0.570 4.920 4.350 0.001 0.000 0.312 216 T C -0.241 174.582 174.700 0.206 0.000 1.151 216 T CA -0.653 61.574 62.100 0.212 0.000 1.024 216 T CB 2.214 71.249 68.868 0.278 0.000 1.140 216 T HN 0.148 nan 8.240 nan 0.000 0.473 217 I N -0.843 119.763 120.570 0.060 0.000 3.042 217 I HA 0.872 5.042 4.170 0.001 0.000 0.310 217 I C -1.186 174.868 176.117 -0.106 0.000 1.117 217 I CA -1.211 60.098 61.300 0.015 0.000 1.003 217 I CB 2.527 40.505 38.000 -0.037 0.000 1.228 217 I HN 0.453 nan 8.210 nan 0.000 0.443 218 K N 2.878 123.215 120.400 -0.106 0.000 2.427 218 K HA 0.680 5.000 4.320 0.001 0.000 0.252 218 K C -2.029 174.438 176.600 -0.221 0.000 0.931 218 K CA -0.607 55.548 56.287 -0.220 0.000 0.793 218 K CB 2.108 34.533 32.500 -0.125 0.000 1.211 218 K HN 0.627 nan 8.250 nan 0.000 0.426 219 L N 3.288 124.382 121.223 -0.215 0.000 2.334 219 L HA 0.455 4.795 4.340 0.001 0.000 0.276 219 L C -0.469 176.318 176.870 -0.139 0.000 1.014 219 L CA -0.609 54.130 54.840 -0.169 0.000 0.815 219 L CB 1.612 43.596 42.059 -0.125 0.000 1.268 219 L HN 0.507 nan 8.230 nan 0.000 0.428 220 K N 2.328 122.666 120.400 -0.104 0.000 2.218 220 K HA 0.685 5.005 4.320 0.001 0.000 0.276 220 K C -0.414 176.173 176.600 -0.023 0.000 1.022 220 K CA -0.258 55.996 56.287 -0.055 0.000 0.946 220 K CB 1.676 34.182 32.500 0.011 0.000 1.000 220 K HN 0.476 nan 8.250 nan 0.000 0.468 221 V N -2.825 117.067 119.914 -0.036 0.000 3.165 221 V HA 0.868 4.988 4.120 0.001 0.000 0.309 221 V C 0.597 176.647 176.094 -0.072 0.000 1.267 221 V CA -0.035 62.295 62.300 0.051 0.000 1.067 221 V CB 1.456 33.374 31.823 0.160 0.000 1.082 221 V HN 0.808 nan 8.190 nan 0.000 0.451 222 G N -0.867 107.953 108.800 0.034 0.000 2.255 222 G HA2 0.005 3.966 3.960 0.001 0.000 0.196 222 G HA3 0.005 3.966 3.960 0.001 0.000 0.196 222 G C 0.790 175.663 174.900 -0.044 0.000 0.998 222 G CA 0.938 45.853 45.100 -0.309 0.000 0.656 222 G HN 1.932 nan 8.290 nan 0.000 0.490 223 A N -0.455 122.495 122.820 0.216 0.000 1.973 223 A HA 0.521 4.841 4.320 0.001 0.000 0.210 223 A C 0.901 178.764 177.584 0.466 0.000 1.200 223 A CA 1.567 53.764 52.037 0.267 0.000 0.707 223 A CB 0.143 19.234 19.000 0.151 0.000 0.862 223 A HN 0.696 nan 8.150 nan 0.000 0.461 224 N N -0.423 118.596 118.700 0.531 0.000 2.519 224 N HA 0.139 4.880 4.740 0.001 0.000 0.291 224 N C 0.125 175.800 175.510 0.274 0.000 1.107 224 N CA -0.090 53.168 53.050 0.346 0.000 0.904 224 N CB 2.168 40.761 38.487 0.176 0.000 1.500 224 N HN -0.071 nan 8.380 nan 0.000 0.510 225 V N 3.984 123.777 119.914 -0.202 0.000 2.490 225 V HA -0.220 3.900 4.120 0.001 0.000 0.250 225 V C 1.805 177.799 176.094 -0.167 0.000 1.061 225 V CA 2.096 64.100 62.300 -0.494 0.000 1.064 225 V CB -0.026 31.095 31.823 -1.170 0.000 0.670 225 V HN 0.646 nan 8.190 nan 0.000 0.461 226 Q N -0.150 119.585 119.800 -0.109 0.000 2.079 226 Q HA -0.161 4.180 4.340 0.001 0.000 0.200 226 Q C 1.957 177.960 176.000 0.006 0.000 0.974 226 Q CA 2.078 57.854 55.803 -0.046 0.000 0.840 226 Q CB -0.446 28.271 28.738 -0.036 0.000 0.898 226 Q HN 0.633 nan 8.270 nan 0.000 0.430 227 D N 0.243 120.669 120.400 0.043 0.000 2.117 227 D HA -0.135 4.505 4.640 0.001 0.000 0.197 227 D C 1.161 177.499 176.300 0.063 0.000 0.987 227 D CA 1.132 55.169 54.000 0.061 0.000 0.829 227 D CB -0.176 40.681 40.800 0.096 0.000 0.961 227 D HN 0.221 nan 8.370 nan 0.000 0.460 228 D N 0.178 120.653 120.400 0.125 0.000 2.117 228 D HA -0.076 4.565 4.640 0.001 0.000 0.197 228 D C 2.307 178.615 176.300 0.014 0.000 0.987 228 D CA 0.390 54.474 54.000 0.140 0.000 0.829 228 D CB -0.257 40.767 40.800 0.373 0.000 0.961 228 D HN 0.272 nan 8.370 nan 0.000 0.460 229 I N 0.496 121.082 120.570 0.026 0.000 2.179 229 I HA -0.233 3.938 4.170 0.001 0.000 0.242 229 I C 2.639 178.669 176.117 -0.144 0.000 1.088 229 I CA 0.878 62.186 61.300 0.014 0.000 1.357 229 I CB -0.144 37.926 38.000 0.116 0.000 1.051 229 I HN -0.072 nan 8.210 nan 0.000 0.409 230 R N 1.052 121.512 120.500 -0.067 0.000 2.073 230 R HA -0.158 4.182 4.340 0.001 0.000 0.234 230 R C 2.502 178.725 176.300 -0.128 0.000 1.134 230 R CA 1.537 57.595 56.100 -0.070 0.000 0.952 230 R CB -0.082 30.206 30.300 -0.021 0.000 0.850 230 R HN 0.241 nan 8.270 nan 0.000 0.433 231 R N -0.607 119.824 120.500 -0.114 0.000 2.075 231 R HA -0.095 4.245 4.340 0.001 0.000 0.232 231 R C 2.494 178.664 176.300 -0.217 0.000 1.126 231 R CA 1.617 57.650 56.100 -0.113 0.000 0.963 231 R CB -0.373 29.898 30.300 -0.050 0.000 0.858 231 R HN 0.307 nan 8.270 nan 0.000 0.435 232 C N -0.054 119.022 119.300 -0.375 0.000 2.440 232 C HA -0.047 4.413 4.460 0.001 0.000 0.278 232 C C 2.669 177.218 174.990 -0.735 0.000 1.295 232 C CA 0.496 59.169 59.018 -0.574 0.000 1.738 232 C CB -0.795 26.466 27.740 -0.798 0.000 1.987 232 C HN 0.477 nan 8.230 nan 0.000 0.492 233 R N 0.598 120.583 120.500 -0.858 0.000 2.066 233 R HA -0.076 4.264 4.340 0.001 0.000 0.232 233 R C 2.101 178.317 176.300 -0.141 0.000 1.131 233 R CA 1.416 57.283 56.100 -0.388 0.000 0.955 233 R CB -0.332 29.906 30.300 -0.104 0.000 0.851 233 R HN 0.474 nan 8.270 nan 0.000 0.432 234 L N 0.295 121.437 121.223 -0.135 0.000 2.046 234 L HA -0.133 4.208 4.340 0.001 0.000 0.208 234 L C 2.738 179.574 176.870 -0.056 0.000 1.077 234 L CA 1.369 56.170 54.840 -0.065 0.000 0.747 234 L CB -0.547 41.482 42.059 -0.051 0.000 0.896 234 L HN 0.346 nan 8.230 nan 0.000 0.432 235 A N 0.102 122.871 122.820 -0.086 0.000 1.898 235 A HA -0.235 4.086 4.320 0.001 0.000 0.216 235 A C 2.329 179.890 177.584 -0.038 0.000 1.181 235 A CA 1.681 53.682 52.037 -0.061 0.000 0.620 235 A CB -0.460 18.491 19.000 -0.082 0.000 0.819 235 A HN 0.287 nan 8.150 nan 0.000 0.442 236 R N 0.475 120.950 120.500 -0.042 0.000 2.096 236 R HA -0.030 4.310 4.340 0.001 0.000 0.235 236 R C 2.017 178.334 176.300 0.028 0.000 1.127 236 R CA 2.015 58.124 56.100 0.016 0.000 0.968 236 R CB -0.950 29.400 30.300 0.083 0.000 0.861 236 R HN 0.379 nan 8.270 nan 0.000 0.440 237 A N -0.044 122.788 122.820 0.021 0.000 1.969 237 A HA 0.077 4.397 4.320 0.001 0.000 0.218 237 A C 2.315 179.909 177.584 0.016 0.000 1.169 237 A CA 1.514 53.566 52.037 0.025 0.000 0.635 237 A CB -0.812 18.202 19.000 0.023 0.000 0.810 237 A HN 0.475 nan 8.150 nan 0.000 0.445 238 A N 0.456 123.280 122.820 0.007 0.000 1.929 238 A HA 0.032 4.352 4.320 0.001 0.000 0.216 238 A C 2.056 179.647 177.584 0.013 0.000 1.176 238 A CA 1.342 53.384 52.037 0.008 0.000 0.628 238 A CB -0.597 18.404 19.000 0.002 0.000 0.816 238 A HN 0.914 nan 8.150 nan 0.000 0.444 239 I N -4.270 116.308 120.570 0.014 0.000 3.427 239 I HA 0.466 4.636 4.170 0.001 0.000 0.288 239 I C 0.979 177.111 176.117 0.025 0.000 1.249 239 I CA 0.467 61.780 61.300 0.021 0.000 1.421 239 I CB -0.482 37.531 38.000 0.021 0.000 1.086 239 I HN 0.434 nan 8.210 nan 0.000 0.448 240 G N 2.439 111.254 108.800 0.025 0.000 2.712 240 G HA2 -0.154 3.807 3.960 0.001 0.000 0.683 240 G HA3 -0.154 3.807 3.960 0.001 0.000 0.683 240 G C -2.220 172.699 174.900 0.032 0.000 1.320 240 G CA -0.174 44.942 45.100 0.026 0.000 0.847 240 G HN 0.116 nan 8.290 nan 0.000 0.553 241 P HA 0.080 nan 4.420 nan 0.000 0.229 241 P C 0.594 177.914 177.300 0.033 0.000 1.160 241 P CA 1.464 64.584 63.100 0.034 0.000 0.777 241 P CB 0.215 31.933 31.700 0.029 0.000 0.814 242 D N -0.330 120.089 120.400 0.031 0.000 2.271 242 D HA 0.038 4.679 4.640 0.001 0.000 0.206 242 D C 1.073 177.398 176.300 0.042 0.000 0.967 242 D CA 0.308 54.328 54.000 0.033 0.000 0.867 242 D CB 0.238 41.055 40.800 0.027 0.000 0.960 242 D HN 0.157 nan 8.370 nan 0.000 0.509 243 I N 1.941 122.537 120.570 0.043 0.000 2.588 243 I HA 0.130 4.300 4.170 0.001 0.000 0.283 243 I C 0.851 176.995 176.117 0.046 0.000 1.119 243 I CA -0.792 60.539 61.300 0.053 0.000 1.419 243 I CB 0.486 38.517 38.000 0.052 0.000 1.394 243 I HN -0.182 nan 8.210 nan 0.000 0.562 244 A N 7.933 130.788 122.820 0.058 0.000 2.388 244 A HA 0.500 4.821 4.320 0.001 0.000 0.257 244 A C -0.041 177.525 177.584 -0.031 0.000 1.095 244 A CA -0.355 51.703 52.037 0.035 0.000 0.791 244 A CB 0.518 19.570 19.000 0.087 0.000 1.029 244 A HN 0.812 nan 8.150 nan 0.000 0.489 245 M N 3.072 122.618 119.600 -0.089 0.000 2.106 245 M HA 0.576 5.056 4.480 0.001 0.000 0.288 245 M C -0.411 175.700 176.300 -0.315 0.000 0.941 245 M CA -0.260 54.941 55.300 -0.166 0.000 0.934 245 M CB 1.301 33.849 32.600 -0.088 0.000 1.551 245 M HN 0.837 nan 8.290 nan 0.000 0.437 246 A N 3.786 126.258 122.820 -0.581 0.000 2.269 246 A HA 0.869 5.189 4.320 0.001 0.000 0.319 246 A C -0.746 176.483 177.584 -0.591 0.000 1.110 246 A CA -0.598 50.870 52.037 -0.950 0.000 0.847 246 A CB 1.087 18.772 19.000 -2.192 0.000 1.161 246 A HN 0.888 nan 8.150 nan 0.000 0.497 247 V N -1.305 118.307 119.914 -0.503 0.000 2.914 247 V HA 0.807 4.927 4.120 0.001 0.000 0.314 247 V C -1.280 174.681 176.094 -0.222 0.000 1.084 247 V CA -0.811 61.336 62.300 -0.254 0.000 0.963 247 V CB 2.076 33.850 31.823 -0.082 0.000 1.025 247 V HN 0.803 nan 8.190 nan 0.000 0.432 248 D N 1.742 122.050 120.400 -0.154 0.000 2.788 248 D HA 0.709 5.349 4.640 0.001 0.000 0.247 248 D C 0.286 176.449 176.300 -0.227 0.000 1.236 248 D CA 0.100 54.020 54.000 -0.132 0.000 0.898 248 D CB 2.303 43.069 40.800 -0.057 0.000 1.401 248 D HN 0.888 nan 8.370 nan 0.000 0.549 249 A N 3.522 126.101 122.820 -0.403 0.000 2.308 249 A HA 0.122 4.442 4.320 0.001 0.000 0.217 249 A C 0.835 178.075 177.584 -0.574 0.000 1.216 249 A CA -0.112 51.476 52.037 -0.749 0.000 0.864 249 A CB -0.254 17.734 19.000 -1.688 0.000 0.902 249 A HN 0.729 nan 8.150 nan 0.000 0.499 250 N N 0.423 118.917 118.700 -0.343 0.000 2.714 250 N HA -0.262 4.478 4.740 0.001 0.000 0.252 250 N C -0.308 175.028 175.510 -0.290 0.000 1.014 250 N CA 1.282 54.175 53.050 -0.261 0.000 0.735 250 N CB -1.182 37.200 38.487 -0.175 0.000 0.924 250 N HN 0.795 nan 8.380 nan 0.000 0.540 251 Q N -3.404 116.204 119.800 -0.320 0.000 2.424 251 Q HA -0.271 4.069 4.340 0.001 0.000 0.234 251 Q C 0.941 176.762 176.000 -0.300 0.000 0.748 251 Q CA 1.216 56.867 55.803 -0.253 0.000 1.286 251 Q CB -0.722 27.929 28.738 -0.146 0.000 1.494 251 Q HN 0.399 nan 8.270 nan 0.000 0.683 252 R N -0.030 120.168 120.500 -0.504 0.000 2.096 252 R HA -0.062 4.278 4.340 0.001 0.000 0.235 252 R C 0.750 176.909 176.300 -0.234 0.000 1.127 252 R CA 1.170 57.006 56.100 -0.441 0.000 0.968 252 R CB -0.074 29.852 30.300 -0.622 0.000 0.861 252 R HN 0.327 nan 8.270 nan 0.000 0.440 253 W N 1.353 122.541 121.300 -0.186 0.000 2.332 253 W HA 0.282 4.942 4.660 0.000 0.000 0.351 253 W C 0.169 176.628 176.519 -0.099 0.000 1.195 253 W CA -1.329 55.930 57.345 -0.142 0.000 1.334 253 W CB -0.072 29.280 29.460 -0.179 0.000 1.206 253 W HN -0.132 nan 8.180 nan 0.000 0.637 254 D N -0.656 119.863 120.400 0.198 0.000 2.432 254 D HA 0.220 4.860 4.640 0.001 0.000 0.258 254 D C 1.317 177.662 176.300 0.075 0.000 1.146 254 D CA -0.536 53.516 54.000 0.088 0.000 1.015 254 D CB 1.462 42.302 40.800 0.067 0.000 1.107 254 D HN -0.092 nan 8.370 nan 0.000 0.529 255 V N 0.744 120.674 119.914 0.026 0.000 2.233 255 V HA -0.177 3.943 4.120 0.001 0.000 0.247 255 V C 2.268 178.370 176.094 0.013 0.000 1.050 255 V CA 2.519 64.825 62.300 0.010 0.000 1.010 255 V CB -0.969 30.851 31.823 -0.004 0.000 0.637 255 V HN 0.756 nan 8.190 nan 0.000 0.444 256 G N 0.396 109.202 108.800 0.011 0.000 2.459 256 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 256 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 256 G C -0.194 174.699 174.900 -0.012 0.000 1.183 256 G CA 1.228 46.328 45.100 0.001 0.000 0.776 256 G HN 0.520 nan 8.290 nan 0.000 0.552 257 P HA -0.024 nan 4.420 nan 0.000 0.216 257 P C 2.172 179.376 177.300 -0.160 0.000 1.150 257 P CA 1.833 64.916 63.100 -0.028 0.000 0.837 257 P CB -0.107 31.621 31.700 0.045 0.000 0.786 258 A N -0.602 122.148 122.820 -0.117 0.000 1.877 258 A HA -0.187 4.133 4.320 0.001 0.000 0.216 258 A C 2.180 179.660 177.584 -0.172 0.000 1.186 258 A CA 1.493 53.410 52.037 -0.200 0.000 0.620 258 A CB -1.604 17.504 19.000 0.181 0.000 0.822 258 A HN 0.109 nan 8.150 nan 0.000 0.443 259 I N -0.062 120.470 120.570 -0.063 0.000 2.226 259 I HA -0.239 3.931 4.170 0.001 0.000 0.245 259 I C 1.792 177.876 176.117 -0.056 0.000 1.100 259 I CA 1.512 62.790 61.300 -0.036 0.000 1.374 259 I CB -0.477 37.514 38.000 -0.015 0.000 1.057 259 I HN 0.264 nan 8.210 nan 0.000 0.413 260 D N -0.018 120.338 120.400 -0.073 0.000 2.144 260 D HA -0.208 4.433 4.640 0.001 0.000 0.200 260 D C 1.818 178.058 176.300 -0.101 0.000 0.978 260 D CA 0.931 54.882 54.000 -0.081 0.000 0.833 260 D CB -0.292 40.457 40.800 -0.084 0.000 0.961 260 D HN 0.453 nan 8.370 nan 0.000 0.470 261 W N 1.041 122.100 121.300 -0.401 0.000 2.379 261 W HA -0.107 4.553 4.660 0.000 0.000 0.307 261 W C 1.787 178.114 176.519 -0.320 0.000 1.200 261 W CA 0.736 57.785 57.345 -0.493 0.000 1.297 261 W CB -0.194 28.595 29.460 -1.118 0.000 1.140 261 W HN -0.052 nan 8.180 nan 0.000 0.507 262 M N 0.171 119.779 119.600 0.014 0.000 2.296 262 M HA -0.143 4.337 4.480 0.001 0.000 0.265 262 M C 2.008 178.337 176.300 0.049 0.000 1.064 262 M CA 1.246 56.595 55.300 0.082 0.000 1.109 262 M CB -1.533 31.112 32.600 0.074 0.000 1.396 262 M HN 0.060 nan 8.290 nan 0.000 0.430 263 R N 0.549 121.047 120.500 -0.003 0.000 2.152 263 R HA -0.164 4.176 4.340 0.001 0.000 0.232 263 R C 1.615 177.893 176.300 -0.036 0.000 1.117 263 R CA 1.299 57.384 56.100 -0.025 0.000 0.981 263 R CB 0.073 30.346 30.300 -0.044 0.000 0.870 263 R HN 0.513 nan 8.270 nan 0.000 0.451 264 Q N -0.575 119.204 119.800 -0.036 0.000 2.392 264 Q HA 0.073 4.413 4.340 0.001 0.000 0.203 264 Q C 1.328 177.368 176.000 0.068 0.000 0.917 264 Q CA 0.354 56.135 55.803 -0.037 0.000 0.939 264 Q CB 0.606 29.274 28.738 -0.117 0.000 1.063 264 Q HN 0.368 nan 8.270 nan 0.000 0.516 265 L N -1.179 120.124 121.223 0.134 0.000 2.749 265 L HA 0.299 4.639 4.340 0.001 0.000 0.242 265 L C 2.079 179.061 176.870 0.185 0.000 1.103 265 L CA 0.135 55.160 54.840 0.309 0.000 0.906 265 L CB -0.038 42.229 42.059 0.348 0.000 1.228 265 L HN 0.079 nan 8.230 nan 0.000 0.517 266 A N 1.662 124.510 122.820 0.046 0.000 1.986 266 A HA -0.254 4.067 4.320 0.001 0.000 0.220 266 A C 2.101 179.631 177.584 -0.091 0.000 1.171 266 A CA 2.082 54.120 52.037 0.002 0.000 0.640 266 A CB -0.481 18.512 19.000 -0.012 0.000 0.811 266 A HN 0.659 nan 8.150 nan 0.000 0.451 267 E N -1.148 118.888 120.200 -0.275 0.000 2.401 267 E HA -0.147 4.203 4.350 0.001 0.000 0.199 267 E C 0.892 177.222 176.600 -0.450 0.000 1.023 267 E CA 1.015 57.165 56.400 -0.415 0.000 0.859 267 E CB -0.503 28.842 29.700 -0.592 0.000 0.780 267 E HN 0.694 nan 8.360 nan 0.000 0.523 268 F N 1.303 121.255 119.950 0.004 0.000 2.692 268 F HA 0.165 4.692 4.527 0.001 0.000 0.303 268 F C -0.041 175.757 175.800 -0.004 0.000 1.114 268 F CA -0.200 57.800 58.000 0.001 0.000 1.361 268 F CB 0.158 39.159 39.000 0.002 0.000 1.063 268 F HN -0.139 nan 8.300 nan 0.000 0.550 269 D N 2.067 122.523 120.400 0.093 0.000 3.908 269 D HA -0.179 4.461 4.640 0.001 0.000 0.237 269 D C -0.737 175.601 176.300 0.063 0.000 1.091 269 D CA 0.199 54.236 54.000 0.063 0.000 1.147 269 D CB -0.535 40.298 40.800 0.055 0.000 0.857 269 D HN -0.022 nan 8.370 nan 0.000 0.410 270 I N 2.300 122.903 120.570 0.055 0.000 2.325 270 I HA 0.345 4.516 4.170 0.001 0.000 0.291 270 I C 1.963 178.085 176.117 0.008 0.000 1.019 270 I CA -0.142 61.169 61.300 0.018 0.000 1.302 270 I CB 0.423 38.449 38.000 0.043 0.000 1.401 270 I HN 0.417 nan 8.210 nan 0.000 0.485 271 A N 7.216 130.001 122.820 -0.059 0.000 1.902 271 A HA -0.022 4.298 4.320 0.001 0.000 0.217 271 A C 0.417 178.121 177.584 0.201 0.000 1.181 271 A CA 1.205 53.263 52.037 0.035 0.000 0.623 271 A CB -0.109 18.856 19.000 -0.059 0.000 0.818 271 A HN 0.868 nan 8.150 nan 0.000 0.443 272 W N -3.949 117.292 121.300 -0.099 0.000 3.189 272 W HA 0.527 5.188 4.660 0.001 0.000 0.314 272 W C -1.870 174.615 176.519 -0.057 0.000 1.204 272 W CA -1.516 55.768 57.345 -0.102 0.000 1.171 272 W CB -0.048 29.286 29.460 -0.210 0.000 1.394 272 W HN 0.155 nan 8.180 nan 0.000 0.568 273 I N 2.541 123.235 120.570 0.207 0.000 2.362 273 I HA 0.468 4.638 4.170 0.001 0.000 0.289 273 I C -0.457 175.811 176.117 0.252 0.000 0.994 273 I CA -0.856 60.523 61.300 0.131 0.000 1.158 273 I CB 1.348 39.458 38.000 0.182 0.000 1.315 273 I HN 0.582 nan 8.210 nan 0.000 0.451 274 E N 6.214 126.528 120.200 0.189 0.000 2.249 274 E HA 0.253 4.603 4.350 0.001 0.000 0.280 274 E C -0.540 176.091 176.600 0.051 0.000 1.016 274 E CA -0.280 56.250 56.400 0.217 0.000 0.830 274 E CB 0.597 30.468 29.700 0.286 0.000 1.081 274 E HN 0.640 nan 8.360 nan 0.000 0.395 275 E N 3.090 123.338 120.200 0.079 0.000 2.197 275 E HA -0.176 4.174 4.350 0.001 0.000 0.184 275 E C -1.858 174.700 176.600 -0.070 0.000 1.439 275 E CA 0.114 56.548 56.400 0.056 0.000 0.688 275 E CB -0.458 29.198 29.700 -0.074 0.000 1.090 275 E HN 0.555 nan 8.360 nan 0.000 0.341 276 P HA -0.138 nan 4.420 nan 0.000 0.220 276 P C 0.768 177.969 177.300 -0.165 0.000 1.148 276 P CA 1.253 64.295 63.100 -0.097 0.000 0.803 276 P CB 0.480 32.278 31.700 0.163 0.000 0.782 277 T N -1.972 112.447 114.554 -0.225 0.000 2.618 277 T HA 0.327 4.678 4.350 0.001 0.000 0.286 277 T C -0.885 173.766 174.700 -0.081 0.000 1.027 277 T CA -0.482 61.498 62.100 -0.199 0.000 1.063 277 T CB 0.992 69.704 68.868 -0.261 0.000 1.440 277 T HN -0.155 nan 8.240 nan 0.000 0.505 278 S N 1.977 117.649 115.700 -0.048 0.000 2.573 278 S HA 0.112 4.582 4.470 0.001 0.000 0.297 278 S C -1.353 173.313 174.600 0.110 0.000 1.280 278 S CA -0.603 57.605 58.200 0.014 0.000 1.061 278 S CB 0.550 63.749 63.200 -0.000 0.000 0.812 278 S HN 0.527 nan 8.310 nan 0.000 0.500 279 P HA 0.024 nan 4.420 nan 0.000 0.234 279 P C 0.013 177.299 177.300 -0.023 0.000 1.167 279 P CA 0.666 63.782 63.100 0.027 0.000 0.763 279 P CB 0.099 31.815 31.700 0.027 0.000 0.835 280 D N -0.980 119.421 120.400 0.001 0.000 2.389 280 D HA 0.004 4.645 4.640 0.001 0.000 0.206 280 D C 0.298 176.597 176.300 -0.000 0.000 1.055 280 D CA 0.441 54.423 54.000 -0.029 0.000 0.856 280 D CB -0.131 40.648 40.800 -0.035 0.000 0.957 280 D HN 0.077 nan 8.370 nan 0.000 0.509 281 D N 1.254 121.692 120.400 0.062 0.000 2.483 281 D HA 0.056 4.697 4.640 0.001 0.000 0.220 281 D C 1.407 177.798 176.300 0.152 0.000 1.173 281 D CA -0.166 53.878 54.000 0.073 0.000 0.964 281 D CB 0.914 41.732 40.800 0.030 0.000 1.046 281 D HN -0.216 nan 8.370 nan 0.000 0.517 282 V N 3.633 123.583 119.914 0.059 0.000 2.270 282 V HA -0.225 3.895 4.120 0.001 0.000 0.245 282 V C 2.544 178.675 176.094 0.062 0.000 1.043 282 V CA 1.215 63.539 62.300 0.040 0.000 1.014 282 V CB -0.368 31.441 31.823 -0.023 0.000 0.645 282 V HN 0.568 nan 8.190 nan 0.000 0.447 283 L N 0.398 121.642 121.223 0.034 0.000 2.083 283 L HA -0.079 4.261 4.340 0.001 0.000 0.209 283 L C 2.633 179.523 176.870 0.033 0.000 1.083 283 L CA 1.661 56.518 54.840 0.029 0.000 0.752 283 L CB -1.216 40.851 42.059 0.013 0.000 0.899 283 L HN 0.489 nan 8.230 nan 0.000 0.433 284 G N -1.270 107.545 108.800 0.026 0.000 2.402 284 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 284 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 284 G C 1.417 176.296 174.900 -0.036 0.000 1.162 284 G CA 0.368 45.458 45.100 -0.018 0.000 0.777 284 G HN 0.369 nan 8.290 nan 0.000 0.539 285 H N 0.668 119.741 119.070 0.004 0.000 2.387 285 H HA -0.005 4.551 4.556 0.001 0.000 0.299 285 H C 2.950 178.289 175.328 0.017 0.000 1.090 285 H CA 1.213 57.268 56.048 0.011 0.000 1.332 285 H CB -0.111 29.646 29.762 -0.009 0.000 1.386 285 H HN 0.397 nan 8.280 nan 0.000 0.516 286 A N 1.087 123.981 122.820 0.124 0.000 1.933 286 A HA -0.076 4.244 4.320 0.001 0.000 0.218 286 A C 2.682 180.298 177.584 0.054 0.000 1.175 286 A CA 1.516 53.599 52.037 0.076 0.000 0.628 286 A CB -0.673 18.359 19.000 0.055 0.000 0.814 286 A HN 0.429 nan 8.150 nan 0.000 0.444 287 A N -0.141 122.702 122.820 0.038 0.000 1.930 287 A HA -0.034 4.287 4.320 0.001 0.000 0.217 287 A C 2.102 179.702 177.584 0.025 0.000 1.175 287 A CA 1.437 53.489 52.037 0.025 0.000 0.627 287 A CB -0.550 18.458 19.000 0.013 0.000 0.815 287 A HN 0.493 nan 8.150 nan 0.000 0.443 288 I N -1.114 119.470 120.570 0.023 0.000 2.252 288 I HA -0.228 3.943 4.170 0.001 0.000 0.245 288 I C 2.692 178.840 176.117 0.053 0.000 1.102 288 I CA 1.578 62.897 61.300 0.031 0.000 1.385 288 I CB -0.302 37.710 38.000 0.020 0.000 1.064 288 I HN 0.354 nan 8.210 nan 0.000 0.414 289 R N 0.939 121.480 120.500 0.068 0.000 2.091 289 R HA -0.230 4.110 4.340 0.001 0.000 0.238 289 R C 2.282 178.613 176.300 0.053 0.000 1.136 289 R CA 1.708 57.851 56.100 0.072 0.000 0.959 289 R CB -0.127 30.220 30.300 0.079 0.000 0.856 289 R HN 0.411 nan 8.270 nan 0.000 0.437 290 Q N -1.195 118.632 119.800 0.044 0.000 2.170 290 Q HA -0.078 4.262 4.340 0.001 0.000 0.203 290 Q C 1.958 177.975 176.000 0.029 0.000 0.976 290 Q CA 1.419 57.243 55.803 0.035 0.000 0.858 290 Q CB -0.019 28.737 28.738 0.030 0.000 0.907 290 Q HN 0.554 nan 8.270 nan 0.000 0.433 291 G N 0.979 109.796 108.800 0.028 0.000 2.453 291 G HA2 -0.096 3.864 3.960 0.001 0.000 0.215 291 G HA3 -0.096 3.864 3.960 0.001 0.000 0.215 291 G C 1.379 176.293 174.900 0.022 0.000 1.147 291 G CA 0.534 45.646 45.100 0.020 0.000 0.802 291 G HN 0.482 nan 8.290 nan 0.000 0.535 292 I N -1.774 118.816 120.570 0.034 0.000 4.018 292 I HA 0.315 4.485 4.170 0.001 0.000 0.337 292 I C 0.866 177.008 176.117 0.042 0.000 1.327 292 I CA -0.289 61.034 61.300 0.038 0.000 1.100 292 I CB 0.119 38.152 38.000 0.054 0.000 1.025 292 I HN -0.119 nan 8.210 nan 0.000 0.396 293 T N 4.049 118.628 114.554 0.041 0.000 2.939 293 T HA 0.095 4.445 4.350 0.001 0.000 0.319 293 T C -0.853 173.867 174.700 0.033 0.000 1.082 293 T CA -0.513 61.611 62.100 0.041 0.000 1.133 293 T CB 0.496 69.387 68.868 0.038 0.000 1.019 293 T HN 0.348 nan 8.240 nan 0.000 0.548 294 P HA 0.161 nan 4.420 nan 0.000 0.255 294 P C -0.174 177.157 177.300 0.052 0.000 1.301 294 P CA -0.156 62.969 63.100 0.041 0.000 0.817 294 P CB -0.046 31.675 31.700 0.036 0.000 1.259 295 V N 3.234 123.182 119.914 0.056 0.000 2.450 295 V HA 0.069 4.189 4.120 0.001 0.000 0.281 295 V C -1.976 174.171 176.094 0.089 0.000 1.019 295 V CA -1.050 61.293 62.300 0.072 0.000 1.062 295 V CB -0.136 31.731 31.823 0.074 0.000 0.979 295 V HN 0.111 nan 8.190 nan 0.000 0.477 296 P HA 0.153 nan 4.420 nan 0.000 0.268 296 P C -0.651 176.735 177.300 0.144 0.000 1.205 296 P CA 0.110 63.274 63.100 0.107 0.000 0.771 296 P CB 0.599 32.364 31.700 0.108 0.000 0.858 297 V N 2.833 122.811 119.914 0.107 0.000 2.555 297 V HA 0.620 4.740 4.120 0.001 0.000 0.302 297 V C 0.211 176.344 176.094 0.065 0.000 1.038 297 V CA -0.223 62.157 62.300 0.133 0.000 0.887 297 V CB 1.739 33.649 31.823 0.145 0.000 0.991 297 V HN 0.739 nan 8.190 nan 0.000 0.434 298 S N 2.830 118.581 115.700 0.084 0.000 2.627 298 S HA 0.922 5.392 4.470 0.001 0.000 0.283 298 S C -0.720 173.870 174.600 -0.015 0.000 1.127 298 S CA -0.449 57.729 58.200 -0.037 0.000 0.863 298 S CB 2.521 65.590 63.200 -0.219 0.000 1.121 298 S HN 0.945 nan 8.310 nan 0.000 0.479 299 T N -1.278 113.222 114.554 -0.090 0.000 2.733 299 T HA 0.655 5.006 4.350 0.001 0.000 0.312 299 T C 0.293 174.945 174.700 -0.079 0.000 1.590 299 T CA 0.416 62.430 62.100 -0.143 0.000 1.005 299 T CB 0.726 69.325 68.868 -0.450 0.000 1.528 299 T HN 2.122 nan 8.240 nan 0.000 0.496 300 G N 1.324 110.076 108.800 -0.080 0.000 3.511 300 G HA2 -0.097 3.863 3.960 0.001 0.000 0.218 300 G HA3 -0.097 3.863 3.960 0.001 0.000 0.218 300 G C 0.804 175.768 174.900 0.107 0.000 1.001 300 G CA 0.978 46.109 45.100 0.053 0.000 0.877 300 G HN 0.922 nan 8.290 nan 0.000 0.450 301 E N 0.092 120.293 120.200 0.003 0.000 2.265 301 E HA -0.114 4.236 4.350 0.001 0.000 0.196 301 E C 1.509 178.176 176.600 0.111 0.000 0.996 301 E CA 1.370 57.721 56.400 -0.082 0.000 0.832 301 E CB -0.200 29.149 29.700 -0.585 0.000 0.756 301 E HN 0.481 nan 8.360 nan 0.000 0.491 302 H N 0.052 119.056 119.070 -0.111 0.000 2.755 302 H HA 0.243 4.799 4.556 0.000 0.000 0.273 302 H C -0.367 174.895 175.328 -0.109 0.000 1.055 302 H CA -0.144 55.851 56.048 -0.089 0.000 1.191 302 H CB 0.671 30.379 29.762 -0.090 0.000 1.536 302 H HN -0.019 nan 8.280 nan 0.000 0.529 303 T N 2.663 117.174 114.554 -0.071 0.000 2.793 303 T HA -0.060 4.290 4.350 0.001 0.000 0.289 303 T C 1.601 176.234 174.700 -0.112 0.000 0.956 303 T CA -0.052 61.873 62.100 -0.292 0.000 1.177 303 T CB 0.801 69.097 68.868 -0.953 0.000 0.897 303 T HN 0.549 nan 8.240 nan 0.000 0.533 304 Q N 3.200 122.943 119.800 -0.095 0.000 2.124 304 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 304 Q C 0.517 176.568 176.000 0.085 0.000 0.977 304 Q CA 1.267 57.067 55.803 -0.006 0.000 0.850 304 Q CB -0.179 28.527 28.738 -0.053 0.000 0.901 304 Q HN 0.807 nan 8.270 nan 0.000 0.429 305 N N -1.346 117.398 118.700 0.074 0.000 3.179 305 N HA 0.068 4.809 4.740 0.001 0.000 0.250 305 N C 0.014 175.676 175.510 0.253 0.000 1.507 305 N CA -0.535 52.617 53.050 0.171 0.000 0.883 305 N CB 0.309 38.833 38.487 0.060 0.000 1.435 305 N HN 0.042 nan 8.380 nan 0.000 0.532 306 R N -0.550 120.092 120.500 0.236 0.000 2.193 306 R HA 0.024 4.365 4.340 0.001 0.000 0.229 306 R C 0.430 176.832 176.300 0.170 0.000 1.110 306 R CA 1.454 57.692 56.100 0.231 0.000 0.988 306 R CB -0.825 29.541 30.300 0.110 0.000 0.871 306 R HN 0.314 nan 8.270 nan 0.000 0.458 307 V N 1.263 121.239 119.914 0.104 0.000 2.453 307 V HA -0.157 3.963 4.120 0.001 0.000 0.247 307 V C 2.464 178.554 176.094 -0.006 0.000 1.048 307 V CA 1.323 63.650 62.300 0.045 0.000 1.049 307 V CB -0.069 31.741 31.823 -0.023 0.000 0.672 307 V HN 0.157 nan 8.190 nan 0.000 0.457 308 V N -0.912 118.976 119.914 -0.043 0.000 2.453 308 V HA -0.176 3.945 4.120 0.001 0.000 0.247 308 V C 2.165 178.170 176.094 -0.147 0.000 1.048 308 V CA 1.828 64.049 62.300 -0.132 0.000 1.049 308 V CB -0.732 30.963 31.823 -0.213 0.000 0.672 308 V HN 0.425 nan 8.190 nan 0.000 0.457 309 F N 0.704 120.609 119.950 -0.075 0.000 2.134 309 F HA -0.196 4.331 4.527 0.001 0.000 0.299 309 F C 2.514 178.224 175.800 -0.150 0.000 1.097 309 F CA 2.151 60.091 58.000 -0.100 0.000 1.264 309 F CB -0.249 38.708 39.000 -0.073 0.000 1.001 309 F HN 0.026 nan 8.300 nan 0.000 0.479 310 K N 0.446 120.881 120.400 0.058 0.000 2.044 310 K HA -0.272 4.049 4.320 0.001 0.000 0.210 310 K C 1.965 178.478 176.600 -0.145 0.000 1.049 310 K CA 1.959 58.202 56.287 -0.073 0.000 0.927 310 K CB -0.232 32.271 32.500 0.005 0.000 0.713 310 K HN 0.342 nan 8.250 nan 0.000 0.443 311 Q N 0.378 120.127 119.800 -0.086 0.000 2.119 311 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 311 Q C 2.256 178.194 176.000 -0.102 0.000 0.972 311 Q CA 1.294 57.047 55.803 -0.084 0.000 0.847 311 Q CB -0.042 28.656 28.738 -0.067 0.000 0.903 311 Q HN 0.334 nan 8.270 nan 0.000 0.433 312 L N 0.214 121.367 121.223 -0.118 0.000 2.042 312 L HA -0.226 4.115 4.340 0.001 0.000 0.210 312 L C 2.199 179.000 176.870 -0.116 0.000 1.076 312 L CA 1.047 55.820 54.840 -0.112 0.000 0.749 312 L CB -0.362 41.616 42.059 -0.135 0.000 0.893 312 L HN 0.270 nan 8.230 nan 0.000 0.432 313 L N -1.173 119.922 121.223 -0.214 0.000 2.044 313 L HA -0.190 4.150 4.340 0.001 0.000 0.205 313 L C 2.651 179.337 176.870 -0.306 0.000 1.075 313 L CA 1.124 55.741 54.840 -0.372 0.000 0.747 313 L CB -0.504 41.032 42.059 -0.873 0.000 0.903 313 L HN 0.271 nan 8.230 nan 0.000 0.435 314 Q N -0.036 119.591 119.800 -0.288 0.000 2.084 314 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 314 Q C 2.263 178.288 176.000 0.041 0.000 0.978 314 Q CA 1.712 57.506 55.803 -0.015 0.000 0.844 314 Q CB -0.244 28.498 28.738 0.006 0.000 0.898 314 Q HN 0.553 nan 8.270 nan 0.000 0.426 315 A N 0.002 122.821 122.820 -0.002 0.000 2.167 315 A HA 0.225 4.545 4.320 0.001 0.000 0.214 315 A C 1.396 179.000 177.584 0.033 0.000 1.151 315 A CA 0.732 52.781 52.037 0.019 0.000 0.735 315 A CB -0.408 18.595 19.000 0.006 0.000 0.802 315 A HN 0.459 nan 8.150 nan 0.000 0.467 316 G N -1.505 107.314 108.800 0.033 0.000 2.272 316 G HA2 -0.022 3.938 3.960 0.001 0.000 0.280 316 G HA3 -0.022 3.938 3.960 0.001 0.000 0.280 316 G C 0.783 175.708 174.900 0.041 0.000 1.067 316 G CA 0.524 45.653 45.100 0.049 0.000 0.902 316 G HN 1.397 nan 8.290 nan 0.000 0.500 317 A N -1.452 121.383 122.820 0.025 0.000 2.218 317 A HA 0.600 4.921 4.320 0.001 0.000 0.209 317 A C 1.280 178.889 177.584 0.042 0.000 1.168 317 A CA 1.661 53.725 52.037 0.045 0.000 0.804 317 A CB 0.179 19.200 19.000 0.035 0.000 0.834 317 A HN 1.955 nan 8.150 nan 0.000 0.482 318 V N -4.737 115.186 119.914 0.016 0.000 3.007 318 V HA 0.500 4.621 4.120 0.001 0.000 0.311 318 V C -0.361 175.742 176.094 0.016 0.000 1.120 318 V CA -0.682 61.622 62.300 0.006 0.000 0.980 318 V CB 1.821 33.626 31.823 -0.031 0.000 1.033 318 V HN 0.152 nan 8.190 nan 0.000 0.429 319 D N 1.426 121.827 120.400 0.001 0.000 2.338 319 D HA 0.263 4.903 4.640 0.001 0.000 0.208 319 D C 0.180 176.460 176.300 -0.033 0.000 0.997 319 D CA 1.349 55.349 54.000 -0.000 0.000 0.880 319 D CB 1.149 41.951 40.800 0.003 0.000 0.980 319 D HN 0.670 nan 8.370 nan 0.000 0.509 320 L N -1.275 119.893 121.223 -0.091 0.000 2.622 320 L HA 0.538 4.879 4.340 0.001 0.000 0.258 320 L C -1.166 175.641 176.870 -0.104 0.000 0.996 320 L CA -1.288 53.483 54.840 -0.114 0.000 0.858 320 L CB 1.776 43.632 42.059 -0.338 0.000 1.449 320 L HN -0.175 nan 8.230 nan 0.000 0.411 321 I N -1.482 119.079 120.570 -0.015 0.000 2.892 321 I HA 0.801 4.972 4.170 0.001 0.000 0.306 321 I C -0.877 175.290 176.117 0.084 0.000 1.078 321 I CA -0.820 60.511 61.300 0.051 0.000 1.032 321 I CB 2.168 40.273 38.000 0.175 0.000 1.229 321 I HN 0.708 nan 8.210 nan 0.000 0.435 322 Q N 3.461 123.344 119.800 0.138 0.000 2.226 322 Q HA 0.746 5.086 4.340 0.001 0.000 0.256 322 Q C -0.694 175.434 176.000 0.212 0.000 0.962 322 Q CA -0.465 55.445 55.803 0.178 0.000 0.887 322 Q CB 2.317 31.172 28.738 0.195 0.000 1.282 322 Q HN 0.705 nan 8.270 nan 0.000 0.449 323 I N -2.888 117.771 120.570 0.149 0.000 3.002 323 I HA 0.785 4.955 4.170 0.001 0.000 0.310 323 I C -1.106 175.104 176.117 0.155 0.000 1.087 323 I CA -1.069 60.285 61.300 0.090 0.000 1.017 323 I CB 2.598 40.555 38.000 -0.072 0.000 1.226 323 I HN 0.421 nan 8.210 nan 0.000 0.443 324 D N 2.137 122.630 120.400 0.155 0.000 2.896 324 D HA 0.632 5.273 4.640 0.001 0.000 0.241 324 D C 0.455 176.823 176.300 0.114 0.000 1.188 324 D CA -0.410 53.699 54.000 0.182 0.000 0.879 324 D CB 2.485 43.423 40.800 0.230 0.000 1.553 324 D HN 0.762 nan 8.370 nan 0.000 0.515 325 A N 2.866 125.738 122.820 0.086 0.000 2.015 325 A HA 0.176 4.496 4.320 0.001 0.000 0.219 325 A C 1.682 179.287 177.584 0.035 0.000 1.163 325 A CA 1.632 53.703 52.037 0.057 0.000 0.646 325 A CB -0.282 18.734 19.000 0.027 0.000 0.806 325 A HN 0.585 nan 8.150 nan 0.000 0.448 326 A N -1.536 121.319 122.820 0.058 0.000 2.431 326 A HA 0.353 4.674 4.320 0.001 0.000 0.239 326 A C 1.803 179.421 177.584 0.057 0.000 1.230 326 A CA 0.682 52.749 52.037 0.051 0.000 0.928 326 A CB -0.082 18.966 19.000 0.080 0.000 1.006 326 A HN 0.328 nan 8.150 nan 0.000 0.520 327 R N 0.410 120.959 120.500 0.083 0.000 2.119 327 R HA 0.029 4.369 4.340 0.001 0.000 0.222 327 R C 1.015 177.356 176.300 0.068 0.000 1.088 327 R CA 1.858 58.001 56.100 0.071 0.000 0.984 327 R CB -0.662 29.701 30.300 0.105 0.000 0.884 327 R HN 0.448 nan 8.270 nan 0.000 0.447 328 V N -3.376 116.578 119.914 0.067 0.000 3.842 328 V HA 0.609 4.729 4.120 0.001 0.000 0.281 328 V C 1.009 176.992 176.094 -0.185 0.000 1.228 328 V CA -0.465 61.874 62.300 0.065 0.000 0.897 328 V CB 0.326 32.240 31.823 0.152 0.000 1.257 328 V HN 0.039 nan 8.190 nan 0.000 0.451 329 G N -0.220 108.474 108.800 -0.176 0.000 3.471 329 G HA2 0.536 4.496 3.960 0.001 0.000 0.254 329 G HA3 0.536 4.496 3.960 0.001 0.000 0.254 329 G C 0.745 175.608 174.900 -0.062 0.000 1.199 329 G CA 0.579 45.507 45.100 -0.287 0.000 1.683 329 G HN 1.900 nan 8.290 nan 0.000 0.625 330 G N -0.647 108.126 108.800 -0.045 0.000 2.698 330 G HA2 -0.229 3.731 3.960 0.001 0.000 0.233 330 G HA3 -0.229 3.731 3.960 0.001 0.000 0.233 330 G C 1.068 175.933 174.900 -0.059 0.000 1.352 330 G CA -0.286 44.823 45.100 0.015 0.000 0.879 330 G HN 0.678 nan 8.290 nan 0.000 0.567 331 V N 0.591 120.377 119.914 -0.213 0.000 2.324 331 V HA -0.292 3.828 4.120 0.001 0.000 0.250 331 V C 2.799 178.655 176.094 -0.397 0.000 1.060 331 V CA 3.199 65.168 62.300 -0.551 0.000 1.042 331 V CB -1.001 29.870 31.823 -1.586 0.000 0.650 331 V HN 0.730 nan 8.190 nan 0.000 0.450 332 N N 0.265 118.874 118.700 -0.152 0.000 2.094 332 N HA -0.242 4.499 4.740 0.001 0.000 0.191 332 N C 1.856 177.344 175.510 -0.037 0.000 1.023 332 N CA 1.854 54.923 53.050 0.032 0.000 0.857 332 N CB -0.315 38.291 38.487 0.199 0.000 1.013 332 N HN 0.690 nan 8.380 nan 0.000 0.426 333 E N 0.153 120.340 120.200 -0.022 0.000 2.107 333 E HA -0.016 4.334 4.350 0.001 0.000 0.191 333 E C 1.272 177.831 176.600 -0.067 0.000 0.982 333 E CA 0.680 57.072 56.400 -0.014 0.000 0.809 333 E CB 0.067 29.804 29.700 0.062 0.000 0.756 333 E HN 0.274 nan 8.360 nan 0.000 0.459 334 N N 0.368 119.010 118.700 -0.096 0.000 2.309 334 N HA -0.115 4.625 4.740 0.001 0.000 0.182 334 N C 1.807 177.227 175.510 -0.151 0.000 1.018 334 N CA 0.702 53.672 53.050 -0.134 0.000 0.876 334 N CB -0.018 38.400 38.487 -0.115 0.000 0.972 334 N HN 0.269 nan 8.380 nan 0.000 0.434 335 L N 0.494 121.626 121.223 -0.151 0.000 2.056 335 L HA -0.084 4.256 4.340 0.001 0.000 0.207 335 L C 2.428 179.237 176.870 -0.102 0.000 1.078 335 L CA 0.960 55.727 54.840 -0.123 0.000 0.749 335 L CB -0.451 41.541 42.059 -0.112 0.000 0.901 335 L HN 0.089 nan 8.230 nan 0.000 0.433 336 A N 0.359 123.107 122.820 -0.120 0.000 1.902 336 A HA -0.162 4.158 4.320 0.001 0.000 0.217 336 A C 2.193 179.720 177.584 -0.096 0.000 1.181 336 A CA 1.411 53.376 52.037 -0.121 0.000 0.623 336 A CB -0.591 18.316 19.000 -0.155 0.000 0.818 336 A HN 0.345 nan 8.150 nan 0.000 0.443 337 I N -0.434 120.044 120.570 -0.153 0.000 2.252 337 I HA -0.243 3.927 4.170 0.001 0.000 0.245 337 I C 2.320 178.307 176.117 -0.218 0.000 1.102 337 I CA 1.038 62.177 61.300 -0.269 0.000 1.385 337 I CB -0.311 37.365 38.000 -0.541 0.000 1.064 337 I HN 0.275 nan 8.210 nan 0.000 0.414 338 L N 0.055 121.180 121.223 -0.162 0.000 2.093 338 L HA -0.202 4.138 4.340 0.001 0.000 0.208 338 L C 2.482 179.334 176.870 -0.031 0.000 1.085 338 L CA 1.218 56.000 54.840 -0.096 0.000 0.755 338 L CB -0.413 41.600 42.059 -0.076 0.000 0.904 338 L HN 0.263 nan 8.230 nan 0.000 0.435 339 L N -0.809 120.405 121.223 -0.014 0.000 2.093 339 L HA -0.204 4.136 4.340 0.001 0.000 0.208 339 L C 2.460 179.382 176.870 0.086 0.000 1.085 339 L CA 1.003 55.867 54.840 0.040 0.000 0.755 339 L CB -0.319 41.775 42.059 0.057 0.000 0.904 339 L HN 0.235 nan 8.230 nan 0.000 0.435 340 L N -0.520 120.750 121.223 0.078 0.000 2.046 340 L HA -0.210 4.130 4.340 0.001 0.000 0.208 340 L C 2.857 179.850 176.870 0.204 0.000 1.077 340 L CA 1.262 56.199 54.840 0.163 0.000 0.747 340 L CB -0.659 41.437 42.059 0.061 0.000 0.896 340 L HN 0.243 nan 8.230 nan 0.000 0.432 341 A N -0.172 122.692 122.820 0.073 0.000 1.902 341 A HA -0.187 4.133 4.320 0.001 0.000 0.217 341 A C 2.503 180.165 177.584 0.130 0.000 1.181 341 A CA 1.779 53.866 52.037 0.083 0.000 0.623 341 A CB -0.739 18.262 19.000 0.002 0.000 0.818 341 A HN 0.417 nan 8.150 nan 0.000 0.443 342 A N -0.379 122.498 122.820 0.095 0.000 1.877 342 A HA -0.162 4.159 4.320 0.001 0.000 0.216 342 A C 2.144 179.782 177.584 0.090 0.000 1.186 342 A CA 1.964 54.048 52.037 0.078 0.000 0.620 342 A CB -0.457 18.573 19.000 0.049 0.000 0.822 342 A HN 0.529 nan 8.150 nan 0.000 0.443 343 K N -1.678 118.794 120.400 0.120 0.000 2.097 343 K HA -0.094 4.226 4.320 0.001 0.000 0.206 343 K C 1.031 177.618 176.600 -0.022 0.000 1.049 343 K CA 1.398 57.717 56.287 0.053 0.000 0.933 343 K CB -0.219 32.325 32.500 0.075 0.000 0.717 343 K HN 0.426 nan 8.250 nan 0.000 0.442 344 F N 0.231 120.198 119.950 0.029 0.000 2.797 344 F HA 0.212 4.739 4.527 0.001 0.000 0.302 344 F C 1.166 176.984 175.800 0.029 0.000 1.130 344 F CA 0.619 58.638 58.000 0.032 0.000 1.387 344 F CB 0.521 39.544 39.000 0.039 0.000 1.107 344 F HN 0.207 nan 8.300 nan 0.000 0.577 345 G N 1.328 110.218 108.800 0.150 0.000 2.295 345 G HA2 -0.229 3.732 3.960 0.001 0.000 0.287 345 G HA3 -0.229 3.732 3.960 0.001 0.000 0.287 345 G C -0.365 174.603 174.900 0.113 0.000 1.055 345 G CA 0.183 45.344 45.100 0.101 0.000 0.922 345 G HN 0.168 nan 8.290 nan 0.000 0.503 346 V N 0.586 120.577 119.914 0.128 0.000 2.448 346 V HA 0.447 4.568 4.120 0.001 0.000 0.295 346 V C 1.044 177.194 176.094 0.092 0.000 1.025 346 V CA -1.040 61.323 62.300 0.105 0.000 0.859 346 V CB 1.515 33.400 31.823 0.102 0.000 0.988 346 V HN 0.497 nan 8.190 nan 0.000 0.431 347 R N 2.633 123.196 120.500 0.105 0.000 2.679 347 R HA 0.421 4.761 4.340 0.001 0.000 0.268 347 R C -0.806 175.593 176.300 0.165 0.000 1.044 347 R CA -0.211 55.972 56.100 0.139 0.000 1.105 347 R CB 0.764 31.207 30.300 0.238 0.000 0.989 347 R HN 0.502 nan 8.270 nan 0.000 0.447 348 V N 4.111 124.102 119.914 0.127 0.000 2.409 348 V HA 0.305 4.425 4.120 0.001 0.000 0.291 348 V C -0.854 175.315 176.094 0.124 0.000 1.020 348 V CA -0.490 61.883 62.300 0.120 0.000 0.848 348 V CB 1.194 33.033 31.823 0.027 0.000 0.990 348 V HN 0.520 nan 8.190 nan 0.000 0.430 349 F N 5.756 125.667 119.950 -0.064 0.000 2.359 349 F HA 0.484 5.011 4.527 0.001 0.000 0.370 349 F C -2.243 173.595 175.800 0.064 0.000 1.077 349 F CA -2.797 55.194 58.000 -0.015 0.000 1.136 349 F CB 1.419 40.294 39.000 -0.209 0.000 1.387 349 F HN 0.327 nan 8.300 nan 0.000 0.468 350 P HA -0.095 nan 4.420 nan 0.000 0.264 350 P C -0.259 177.155 177.300 0.189 0.000 1.183 350 P CA 0.392 63.557 63.100 0.108 0.000 0.763 350 P CB 0.325 31.993 31.700 -0.053 0.000 0.807 351 H N 2.858 121.993 119.070 0.107 0.000 2.525 351 H HA 0.460 5.017 4.556 0.000 0.000 0.339 351 H C -0.283 175.060 175.328 0.025 0.000 1.109 351 H CA -0.383 55.733 56.048 0.113 0.000 1.352 351 H CB 0.856 30.693 29.762 0.124 0.000 1.461 351 H HN 0.462 nan 8.280 nan 0.000 0.533 352 A N 3.567 125.984 122.820 -0.673 0.000 2.538 352 A HA 0.206 4.526 4.320 0.001 0.000 0.276 352 A C 0.822 178.034 177.584 -0.620 0.000 0.908 352 A CA 0.175 51.881 52.037 -0.551 0.000 1.042 352 A CB -0.235 18.625 19.000 -0.233 0.000 1.218 352 A HN 0.742 nan 8.150 nan 0.000 0.517 353 G N 0.630 108.895 108.800 -0.893 0.000 2.985 353 G HA2 0.546 4.506 3.960 0.001 0.000 0.282 353 G HA3 0.546 4.506 3.960 0.001 0.000 0.282 353 G C 0.326 174.849 174.900 -0.629 0.000 0.791 353 G CA 0.549 45.465 45.100 -0.305 0.000 1.934 353 G HN 1.265 nan 8.290 nan 0.000 0.563 354 G N -0.893 107.328 108.800 -0.965 0.000 2.355 354 G HA2 0.400 4.361 3.960 0.001 0.000 0.296 354 G HA3 0.400 4.361 3.960 0.001 0.000 0.296 354 G C -0.993 173.235 174.900 -1.119 0.000 1.507 354 G CA -0.532 43.320 45.100 -2.080 0.000 0.823 354 G HN 0.736 nan 8.290 nan 0.000 0.569 355 V N 1.405 120.860 119.914 -0.764 0.000 2.493 355 V HA 0.437 4.557 4.120 0.001 0.000 0.292 355 V C 1.642 177.659 176.094 -0.128 0.000 1.016 355 V CA 2.432 64.623 62.300 -0.182 0.000 1.097 355 V CB 0.561 32.465 31.823 0.135 0.000 0.947 355 V HN 2.812 nan 8.190 nan 0.000 0.479 356 G N 4.844 113.464 108.800 -0.299 0.000 2.234 356 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 356 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 356 G C 0.703 175.362 174.900 -0.402 0.000 0.987 356 G CA 0.652 45.380 45.100 -0.620 0.000 0.625 356 G HN 0.755 nan 8.290 nan 0.000 0.532 357 L N -0.101 120.910 121.223 -0.355 0.000 2.093 357 L HA -0.106 4.235 4.340 0.001 0.000 0.208 357 L C 3.071 179.820 176.870 -0.203 0.000 1.085 357 L CA 1.765 56.434 54.840 -0.285 0.000 0.755 357 L CB -0.789 41.030 42.059 -0.399 0.000 0.904 357 L HN 0.507 nan 8.230 nan 0.000 0.435 358 C N 0.063 119.268 119.300 -0.159 0.000 2.432 358 C HA -0.135 4.326 4.460 0.001 0.000 0.277 358 C C 2.654 177.640 174.990 -0.007 0.000 1.249 358 C CA 0.563 59.587 59.018 0.010 0.000 1.725 358 C CB -0.632 27.257 27.740 0.248 0.000 2.028 358 C HN 0.493 nan 8.230 nan 0.000 0.477 359 E N 0.930 121.080 120.200 -0.084 0.000 2.085 359 E HA -0.150 4.201 4.350 0.001 0.000 0.194 359 E C 2.021 178.673 176.600 0.088 0.000 0.994 359 E CA 1.148 57.511 56.400 -0.061 0.000 0.801 359 E CB -0.297 29.211 29.700 -0.319 0.000 0.743 359 E HN 0.595 nan 8.360 nan 0.000 0.453 360 L N -0.748 120.472 121.223 -0.004 0.000 2.034 360 L HA -0.057 4.283 4.340 0.001 0.000 0.203 360 L C 2.348 179.398 176.870 0.300 0.000 1.074 360 L CA 0.542 55.446 54.840 0.105 0.000 0.748 360 L CB -0.570 41.341 42.059 -0.245 0.000 0.905 360 L HN 0.034 nan 8.230 nan 0.000 0.439 361 V N 0.868 120.819 119.914 0.061 0.000 2.720 361 V HA -0.287 3.834 4.120 0.001 0.000 0.256 361 V C 2.629 178.643 176.094 -0.133 0.000 1.082 361 V CA 2.032 64.331 62.300 -0.001 0.000 1.101 361 V CB -0.491 31.289 31.823 -0.072 0.000 0.693 361 V HN 0.677 nan 8.190 nan 0.000 0.479 362 Q N -1.069 118.585 119.800 -0.245 0.000 2.135 362 Q HA -0.308 4.032 4.340 0.001 0.000 0.204 362 Q C 1.876 177.641 176.000 -0.392 0.000 0.981 362 Q CA 2.533 58.022 55.803 -0.524 0.000 0.856 362 Q CB -0.689 27.690 28.738 -0.599 0.000 0.902 362 Q HN 0.751 nan 8.270 nan 0.000 0.425 363 H N 0.736 119.765 119.070 -0.069 0.000 2.387 363 H HA 0.000 4.557 4.556 0.001 0.000 0.299 363 H C 1.983 177.293 175.328 -0.031 0.000 1.090 363 H CA 1.713 57.776 56.048 0.025 0.000 1.332 363 H CB 0.038 29.833 29.762 0.055 0.000 1.386 363 H HN 0.161 nan 8.280 nan 0.000 0.516 364 L N -0.382 120.865 121.223 0.040 0.000 2.072 364 L HA -0.093 4.247 4.340 0.001 0.000 0.205 364 L C 2.727 179.549 176.870 -0.081 0.000 1.079 364 L CA 0.824 55.645 54.840 -0.033 0.000 0.752 364 L CB -0.494 41.544 42.059 -0.035 0.000 0.906 364 L HN 0.330 nan 8.230 nan 0.000 0.436 365 A N 0.013 122.710 122.820 -0.205 0.000 1.902 365 A HA -0.207 4.113 4.320 0.001 0.000 0.217 365 A C 2.308 179.777 177.584 -0.192 0.000 1.181 365 A CA 1.687 53.538 52.037 -0.309 0.000 0.623 365 A CB -0.458 18.099 19.000 -0.739 0.000 0.818 365 A HN 0.325 nan 8.150 nan 0.000 0.443 366 M N -0.595 118.847 119.600 -0.263 0.000 2.175 366 M HA -0.099 4.381 4.480 0.001 0.000 0.264 366 M C 2.495 178.900 176.300 0.175 0.000 1.063 366 M CA 1.328 56.561 55.300 -0.111 0.000 1.119 366 M CB -0.348 31.943 32.600 -0.514 0.000 1.377 366 M HN 0.469 nan 8.290 nan 0.000 0.415 367 A N 0.204 123.140 122.820 0.193 0.000 1.930 367 A HA -0.229 4.091 4.320 0.001 0.000 0.217 367 A C 1.703 179.373 177.584 0.143 0.000 1.175 367 A CA 2.253 54.422 52.037 0.221 0.000 0.627 367 A CB -0.919 18.164 19.000 0.140 0.000 0.815 367 A HN 0.546 nan 8.150 nan 0.000 0.443 368 D N -1.377 119.088 120.400 0.107 0.000 2.097 368 D HA -0.206 4.435 4.640 0.001 0.000 0.195 368 D C 1.693 178.075 176.300 0.136 0.000 0.989 368 D CA 1.564 55.618 54.000 0.090 0.000 0.827 368 D CB -0.264 40.579 40.800 0.071 0.000 0.966 368 D HN 0.424 nan 8.370 nan 0.000 0.456 369 F N 0.291 120.291 119.950 0.082 0.000 2.095 369 F HA -0.204 4.323 4.527 0.001 0.000 0.298 369 F C 1.997 177.828 175.800 0.052 0.000 1.104 369 F CA 1.422 59.462 58.000 0.067 0.000 1.232 369 F CB -0.234 38.823 39.000 0.095 0.000 0.987 369 F HN -0.075 nan 8.300 nan 0.000 0.475 370 V N 0.184 120.102 119.914 0.007 0.000 2.283 370 V HA -0.198 3.922 4.120 0.001 0.000 0.243 370 V C 2.422 178.465 176.094 -0.085 0.000 1.039 370 V CA 1.918 64.173 62.300 -0.075 0.000 1.016 370 V CB -1.211 30.732 31.823 0.200 0.000 0.650 370 V HN 0.470 nan 8.190 nan 0.000 0.449 371 A N -1.929 120.886 122.820 -0.008 0.000 2.303 371 A HA 0.368 4.688 4.320 0.001 0.000 0.217 371 A C 1.844 179.414 177.584 -0.024 0.000 1.205 371 A CA 0.372 52.399 52.037 -0.016 0.000 0.875 371 A CB 0.054 19.061 19.000 0.012 0.000 0.910 371 A HN 0.499 nan 8.150 nan 0.000 0.501 372 I N -1.816 118.737 120.570 -0.027 0.000 3.650 372 I HA 0.003 4.173 4.170 0.001 0.000 0.261 372 I C 2.370 178.469 176.117 -0.029 0.000 1.154 372 I CA 1.277 62.567 61.300 -0.016 0.000 1.418 372 I CB 0.073 38.077 38.000 0.007 0.000 1.539 372 I HN 0.305 nan 8.210 nan 0.000 0.449 373 T N -2.119 112.416 114.554 -0.031 0.000 3.042 373 T HA 0.253 4.603 4.350 0.001 0.000 0.245 373 T C 1.651 176.300 174.700 -0.086 0.000 1.029 373 T CA 0.747 62.831 62.100 -0.027 0.000 1.120 373 T CB 0.456 69.342 68.868 0.030 0.000 0.917 373 T HN 0.486 nan 8.240 nan 0.000 0.467 374 G N 1.838 110.505 108.800 -0.222 0.000 2.160 374 G HA2 -0.229 3.731 3.960 0.001 0.000 0.251 374 G HA3 -0.229 3.731 3.960 0.001 0.000 0.251 374 G C -0.182 174.668 174.900 -0.084 0.000 1.008 374 G CA 0.297 45.135 45.100 -0.438 0.000 0.724 374 G HN 0.713 nan 8.290 nan 0.000 0.514 375 K N -0.411 120.082 120.400 0.155 0.000 2.463 375 K HA 0.656 4.976 4.320 0.001 0.000 0.255 375 K C 0.909 177.620 176.600 0.184 0.000 0.942 375 K CA -0.284 56.122 56.287 0.197 0.000 0.814 375 K CB 1.361 33.905 32.500 0.073 0.000 1.122 375 K HN 0.343 nan 8.250 nan 0.000 0.425 376 M N -0.672 118.896 119.600 -0.053 0.000 2.086 376 M HA 0.238 4.718 4.480 0.001 0.000 0.301 376 M C 0.467 176.479 176.300 -0.480 0.000 1.034 376 M CA -0.076 54.899 55.300 -0.542 0.000 1.122 376 M CB 0.526 32.284 32.600 -1.402 0.000 1.969 376 M HN 0.164 nan 8.290 nan 0.000 0.670 377 E N 2.488 122.514 120.200 -0.291 0.000 2.409 377 E HA -0.109 4.241 4.350 0.001 0.000 0.198 377 E C 0.693 177.223 176.600 -0.116 0.000 1.024 377 E CA 1.323 57.603 56.400 -0.199 0.000 0.861 377 E CB -0.200 29.425 29.700 -0.124 0.000 0.788 377 E HN 0.785 nan 8.360 nan 0.000 0.521 378 D N 0.271 120.609 120.400 -0.103 0.000 2.349 378 D HA -0.036 4.604 4.640 0.001 0.000 0.214 378 D C 0.885 177.136 176.300 -0.081 0.000 1.063 378 D CA -0.028 53.953 54.000 -0.032 0.000 0.847 378 D CB 0.187 40.992 40.800 0.008 0.000 0.933 378 D HN 0.148 nan 8.370 nan 0.000 0.513 379 R N -1.080 119.248 120.500 -0.286 0.000 2.929 379 R HA 0.832 5.172 4.340 0.001 0.000 0.259 379 R C -1.522 174.407 176.300 -0.619 0.000 1.141 379 R CA -1.161 54.442 56.100 -0.829 0.000 0.991 379 R CB 1.026 30.853 30.300 -0.787 0.000 1.287 379 R HN -0.055 nan 8.270 nan 0.000 0.450 380 A N 0.408 122.737 122.820 -0.817 0.000 2.605 380 A HA 0.565 4.886 4.320 0.001 0.000 0.294 380 A C -1.352 176.325 177.584 0.156 0.000 1.062 380 A CA -0.888 51.140 52.037 -0.015 0.000 0.682 380 A CB 1.356 20.549 19.000 0.320 0.000 1.278 380 A HN 0.581 nan 8.150 nan 0.000 0.410 381 I N 1.442 122.141 120.570 0.215 0.000 2.353 381 I HA 0.294 4.464 4.170 0.001 0.000 0.293 381 I C 0.669 176.859 176.117 0.122 0.000 0.992 381 I CA -0.332 60.996 61.300 0.048 0.000 1.268 381 I CB 1.612 39.384 38.000 -0.380 0.000 1.387 381 I HN 0.875 nan 8.210 nan 0.000 0.478 382 E N 5.717 125.871 120.200 -0.075 0.000 2.398 382 E HA 0.165 4.516 4.350 0.001 0.000 0.263 382 E C -1.561 174.981 176.600 -0.097 0.000 1.046 382 E CA -0.076 55.975 56.400 -0.582 0.000 0.908 382 E CB 0.886 30.363 29.700 -0.371 0.000 0.963 382 E HN 0.442 nan 8.360 nan 0.000 0.431 383 F N 4.212 123.957 119.950 -0.341 0.000 2.591 383 F HA 0.461 4.989 4.527 0.001 0.000 0.309 383 F C -1.525 174.173 175.800 -0.170 0.000 1.098 383 F CA -0.735 57.189 58.000 -0.127 0.000 0.937 383 F CB 1.561 40.492 39.000 -0.114 0.000 1.250 383 F HN 0.254 nan 8.300 nan 0.000 0.447 384 V N 1.708 121.014 119.914 -1.012 0.000 2.709 384 V HA 0.466 4.587 4.120 0.001 0.000 0.308 384 V C -1.092 174.355 176.094 -1.079 0.000 1.062 384 V CA -0.728 61.178 62.300 -0.656 0.000 0.901 384 V CB 1.716 33.547 31.823 0.014 0.000 1.003 384 V HN 0.800 nan 8.190 nan 0.000 0.425 385 D N 2.047 121.958 120.400 -0.815 0.000 2.994 385 D HA 0.329 4.970 4.640 0.001 0.000 0.240 385 D C -0.240 175.687 176.300 -0.622 0.000 1.195 385 D CA 0.191 53.891 54.000 -0.500 0.000 0.957 385 D CB -0.704 40.006 40.800 -0.151 0.000 1.105 385 D HN 0.890 nan 8.370 nan 0.000 0.477 386 H N -0.293 118.659 119.070 -0.196 0.000 2.806 386 H HA 0.358 4.914 4.556 0.001 0.000 0.367 386 H C 0.496 175.545 175.328 -0.465 0.000 1.136 386 H CA -1.076 54.831 56.048 -0.235 0.000 1.178 386 H CB 1.514 31.177 29.762 -0.166 0.000 1.718 386 H HN -0.093 nan 8.280 nan 0.000 0.540 387 L N 1.351 122.458 121.223 -0.194 0.000 4.367 387 L HA -0.339 4.002 4.340 0.001 0.000 0.424 387 L C 0.828 177.612 176.870 -0.143 0.000 1.152 387 L CA 0.410 55.112 54.840 -0.229 0.000 0.974 387 L CB -1.396 40.454 42.059 -0.349 0.000 2.012 387 L HN 0.852 nan 8.230 nan 0.000 0.922 388 H N 0.834 119.922 119.070 0.031 0.000 2.491 388 H HA -0.120 4.436 4.556 0.001 0.000 0.290 388 H C 2.168 177.574 175.328 0.130 0.000 1.050 388 H CA 1.604 57.725 56.048 0.121 0.000 1.309 388 H CB 0.067 29.865 29.762 0.059 0.000 1.392 388 H HN 0.784 nan 8.280 nan 0.000 0.554 389 Q N 0.963 120.771 119.800 0.013 0.000 2.368 389 Q HA -0.163 4.177 4.340 0.001 0.000 0.210 389 Q C 0.666 176.617 176.000 -0.082 0.000 0.982 389 Q CA 1.485 57.234 55.803 -0.090 0.000 0.884 389 Q CB -0.439 28.135 28.738 -0.273 0.000 0.933 389 Q HN 0.590 nan 8.270 nan 0.000 0.460 390 H N -1.093 118.034 119.070 0.095 0.000 2.539 390 H HA 0.230 4.786 4.556 0.000 0.000 0.267 390 H C -0.639 174.454 175.328 -0.391 0.000 0.982 390 H CA -0.254 55.756 56.048 -0.063 0.000 1.146 390 H CB 0.169 29.760 29.762 -0.286 0.000 1.382 390 H HN 0.127 nan 8.280 nan 0.000 0.577 391 F N -0.503 119.456 119.950 0.014 0.000 2.480 391 F HA 0.172 4.700 4.527 0.000 0.000 0.329 391 F C 0.552 176.181 175.800 -0.286 0.000 1.091 391 F CA -0.997 56.922 58.000 -0.134 0.000 0.972 391 F CB 1.465 40.460 39.000 -0.009 0.000 1.150 391 F HN -0.141 nan 8.300 nan 0.000 0.467 392 L N 0.815 121.882 121.223 -0.261 0.000 2.141 392 L HA -0.113 4.228 4.340 0.001 0.000 0.209 392 L C 0.706 177.587 176.870 0.019 0.000 1.094 392 L CA 1.629 56.335 54.840 -0.224 0.000 0.763 392 L CB -0.385 41.559 42.059 -0.192 0.000 0.908 392 L HN 0.525 nan 8.230 nan 0.000 0.437 393 D N 0.191 120.649 120.400 0.097 0.000 2.517 393 D HA 0.175 4.816 4.640 0.001 0.000 0.301 393 D C -2.425 173.961 176.300 0.142 0.000 1.202 393 D CA -2.196 51.878 54.000 0.123 0.000 0.910 393 D CB 0.675 41.559 40.800 0.140 0.000 1.021 393 D HN -0.010 nan 8.370 nan 0.000 0.499 394 P HA 0.031 nan 4.420 nan 0.000 0.271 394 P C 0.334 177.662 177.300 0.047 0.000 1.218 394 P CA -0.498 62.682 63.100 0.132 0.000 0.780 394 P CB 1.092 32.889 31.700 0.161 0.000 0.901 395 V N 1.144 121.055 119.914 -0.005 0.000 2.963 395 V HA 0.266 4.386 4.120 0.001 0.000 0.306 395 V C 0.362 176.378 176.094 -0.131 0.000 1.077 395 V CA -0.231 62.056 62.300 -0.023 0.000 1.124 395 V CB -0.356 31.508 31.823 0.068 0.000 0.987 395 V HN 0.438 nan 8.190 nan 0.000 0.487 396 R N 3.899 124.315 120.500 -0.140 0.000 2.439 396 R HA 0.673 5.014 4.340 0.001 0.000 0.310 396 R C -1.175 174.917 176.300 -0.347 0.000 0.955 396 R CA -0.714 55.261 56.100 -0.208 0.000 0.853 396 R CB 1.758 31.981 30.300 -0.127 0.000 1.171 396 R HN 0.638 nan 8.270 nan 0.000 0.449 397 I N 2.665 122.951 120.570 -0.473 0.000 2.377 397 I HA 0.290 4.460 4.170 0.001 0.000 0.293 397 I C -0.207 175.620 176.117 -0.483 0.000 0.987 397 I CA -0.416 60.514 61.300 -0.617 0.000 1.185 397 I CB 1.668 39.115 38.000 -0.922 0.000 1.341 397 I HN 0.632 nan 8.210 nan 0.000 0.455 398 Q N 5.794 125.319 119.800 -0.459 0.000 2.290 398 Q HA 0.320 4.661 4.340 0.001 0.000 0.269 398 Q C -0.875 174.861 176.000 -0.440 0.000 1.016 398 Q CA -0.477 55.033 55.803 -0.490 0.000 0.754 398 Q CB 0.654 29.134 28.738 -0.430 0.000 1.247 398 Q HN 0.764 nan 8.270 nan 0.000 0.451 399 H N 2.541 121.414 119.070 -0.327 0.000 2.713 399 H HA -0.243 4.313 4.556 0.000 0.000 0.311 399 H C 0.769 175.846 175.328 -0.418 0.000 1.175 399 H CA 0.633 56.493 56.048 -0.314 0.000 1.143 399 H CB -1.260 28.379 29.762 -0.205 0.000 1.434 399 H HN 1.126 nan 8.280 nan 0.000 0.418 400 G N 0.055 108.477 108.800 -0.630 0.000 2.153 400 G HA2 -0.349 3.611 3.960 0.001 0.000 0.252 400 G HA3 -0.349 3.611 3.960 0.001 0.000 0.252 400 G C 0.150 174.786 174.900 -0.440 0.000 0.994 400 G CA 0.488 45.067 45.100 -0.868 0.000 0.698 400 G HN 0.637 nan 8.290 nan 0.000 0.521 401 R N -1.408 118.871 120.500 -0.369 0.000 2.744 401 R HA 0.510 4.850 4.340 0.001 0.000 0.279 401 R C -0.923 175.244 176.300 -0.222 0.000 0.977 401 R CA -0.964 55.026 56.100 -0.183 0.000 0.906 401 R CB 1.327 31.555 30.300 -0.120 0.000 1.197 401 R HN 0.125 nan 8.270 nan 0.000 0.463 402 Y N 2.110 122.315 120.300 -0.159 0.000 2.402 402 Y HA 0.144 4.695 4.550 0.001 0.000 0.333 402 Y C 0.512 176.301 175.900 -0.186 0.000 1.076 402 Y CA 0.081 58.071 58.100 -0.184 0.000 1.299 402 Y CB 0.659 39.015 38.460 -0.173 0.000 1.197 402 Y HN 0.226 nan 8.280 nan 0.000 0.517 403 L N 3.865 125.054 121.223 -0.057 0.000 2.350 403 L HA 0.449 4.790 4.340 0.001 0.000 0.275 403 L C 0.393 177.219 176.870 -0.073 0.000 1.099 403 L CA -0.957 53.836 54.840 -0.078 0.000 0.808 403 L CB 0.816 42.821 42.059 -0.090 0.000 1.149 403 L HN 0.675 nan 8.230 nan 0.000 0.442 404 A N 4.643 127.396 122.820 -0.111 0.000 2.492 404 A HA 0.422 4.742 4.320 0.001 0.000 0.254 404 A C -2.225 175.401 177.584 0.071 0.000 1.091 404 A CA -1.018 50.915 52.037 -0.174 0.000 0.768 404 A CB -0.494 18.359 19.000 -0.244 0.000 1.028 404 A HN 0.426 nan 8.150 nan 0.000 0.498 405 P HA 0.146 nan 4.420 nan 0.000 0.269 405 P C 0.216 177.748 177.300 0.387 0.000 1.215 405 P CA 0.147 63.396 63.100 0.249 0.000 0.780 405 P CB 0.695 32.547 31.700 0.253 0.000 0.898 406 E N 0.186 120.534 120.200 0.246 0.000 2.367 406 E HA 0.056 4.406 4.350 0.001 0.000 0.204 406 E C 0.343 177.024 176.600 0.135 0.000 0.840 406 E CA 0.011 56.524 56.400 0.189 0.000 1.051 406 E CB 0.177 29.958 29.700 0.135 0.000 1.051 406 E HN 0.316 nan 8.360 nan 0.000 0.509 407 V N 0.974 120.970 119.914 0.136 0.000 3.096 407 V HA 0.209 4.329 4.120 0.001 0.000 0.306 407 V C -2.567 173.590 176.094 0.105 0.000 1.088 407 V CA -2.005 60.358 62.300 0.105 0.000 1.129 407 V CB 0.111 31.995 31.823 0.101 0.000 1.014 407 V HN -0.145 nan 8.190 nan 0.000 0.486 408 P HA 0.515 nan 4.420 nan 0.000 0.268 408 P C 0.410 177.741 177.300 0.053 0.000 1.205 408 P CA 1.778 64.900 63.100 0.037 0.000 0.771 408 P CB 0.546 32.257 31.700 0.018 0.000 0.858 409 G N 1.367 110.172 108.800 0.008 0.000 2.434 409 G HA2 -0.200 3.760 3.960 0.001 0.000 0.671 409 G HA3 -0.200 3.760 3.960 0.001 0.000 0.671 409 G C -0.322 174.545 174.900 -0.054 0.000 1.280 409 G CA -0.679 44.433 45.100 0.021 0.000 0.975 409 G HN 0.454 nan 8.290 nan 0.000 0.510 410 F N 0.909 120.765 119.950 -0.157 0.000 2.765 410 F HA 0.305 4.832 4.527 0.001 0.000 0.302 410 F C 1.797 177.556 175.800 -0.067 0.000 1.111 410 F CA 0.589 58.409 58.000 -0.299 0.000 1.359 410 F CB 0.144 39.092 39.000 -0.086 0.000 1.097 410 F HN 0.776 nan 8.300 nan 0.000 0.577 411 S N -0.243 115.625 115.700 0.279 0.000 3.476 411 S HA -0.299 4.171 4.470 0.001 0.000 0.309 411 S C 1.056 175.787 174.600 0.219 0.000 1.222 411 S CA 0.469 58.832 58.200 0.272 0.000 0.922 411 S CB -1.793 61.628 63.200 0.370 0.000 1.023 411 S HN 0.596 nan 8.310 nan 0.000 0.591 412 A N 0.445 123.401 122.820 0.226 0.000 2.081 412 A HA 0.211 4.531 4.320 0.001 0.000 0.214 412 A C 0.706 178.538 177.584 0.413 0.000 1.158 412 A CA 0.399 52.615 52.037 0.298 0.000 0.724 412 A CB -0.039 19.071 19.000 0.184 0.000 0.826 412 A HN 0.654 nan 8.150 nan 0.000 0.463 413 E N 0.605 120.878 120.200 0.121 0.000 2.480 413 E HA 0.181 4.532 4.350 0.001 0.000 0.258 413 E C -0.458 176.061 176.600 -0.135 0.000 0.984 413 E CA 0.203 56.450 56.400 -0.255 0.000 0.930 413 E CB 0.174 29.480 29.700 -0.657 0.000 0.936 413 E HN 0.456 nan 8.360 nan 0.000 0.466 414 M N 2.779 122.242 119.600 -0.229 0.000 2.537 414 M HA 0.230 4.710 4.480 0.001 0.000 0.324 414 M C -0.445 175.644 176.300 -0.352 0.000 1.187 414 M CA -0.716 54.263 55.300 -0.536 0.000 0.993 414 M CB 1.466 33.537 32.600 -0.881 0.000 1.666 414 M HN 0.520 nan 8.290 nan 0.000 0.461 415 H N 2.830 121.780 119.070 -0.201 0.000 2.929 415 H HA 0.029 4.585 4.556 0.001 0.000 0.317 415 H C -1.429 173.851 175.328 -0.081 0.000 1.031 415 H CA -0.835 55.162 56.048 -0.086 0.000 1.466 415 H CB 0.291 30.041 29.762 -0.019 0.000 1.482 415 H HN 0.381 nan 8.280 nan 0.000 0.561 416 P HA -0.243 nan 4.420 nan 0.000 0.218 416 P C 1.107 178.429 177.300 0.037 0.000 1.148 416 P CA 1.546 64.665 63.100 0.033 0.000 0.822 416 P CB 0.192 31.927 31.700 0.059 0.000 0.784 417 A N 0.125 122.988 122.820 0.071 0.000 1.972 417 A HA -0.111 4.209 4.320 0.001 0.000 0.219 417 A C 2.472 180.110 177.584 0.090 0.000 1.169 417 A CA 1.894 53.964 52.037 0.055 0.000 0.635 417 A CB -1.346 17.671 19.000 0.028 0.000 0.810 417 A HN 0.190 nan 8.150 nan 0.000 0.446 418 S N -0.182 115.613 115.700 0.159 0.000 2.387 418 S HA -0.045 4.426 4.470 0.001 0.000 0.226 418 S C 1.770 176.453 174.600 0.138 0.000 1.026 418 S CA 1.279 59.636 58.200 0.262 0.000 0.972 418 S CB -0.423 62.971 63.200 0.324 0.000 0.814 418 S HN 0.563 nan 8.310 nan 0.000 0.477 419 I N 1.776 122.342 120.570 -0.006 0.000 2.252 419 I HA -0.182 3.988 4.170 0.001 0.000 0.245 419 I C 2.678 178.790 176.117 -0.008 0.000 1.102 419 I CA 1.104 62.358 61.300 -0.078 0.000 1.385 419 I CB -0.464 37.402 38.000 -0.224 0.000 1.064 419 I HN 0.261 nan 8.210 nan 0.000 0.414 420 A N 0.287 123.106 122.820 -0.001 0.000 1.969 420 A HA -0.229 4.091 4.320 0.001 0.000 0.218 420 A C 2.207 179.774 177.584 -0.028 0.000 1.169 420 A CA 1.905 53.945 52.037 0.005 0.000 0.635 420 A CB -0.402 18.601 19.000 0.005 0.000 0.810 420 A HN 0.404 nan 8.150 nan 0.000 0.445 421 E N -0.910 119.242 120.200 -0.080 0.000 2.076 421 E HA 0.002 4.352 4.350 0.001 0.000 0.190 421 E C 0.839 177.153 176.600 -0.476 0.000 0.979 421 E CA 1.071 57.289 56.400 -0.303 0.000 0.807 421 E CB -0.257 29.192 29.700 -0.419 0.000 0.761 421 E HN 0.573 nan 8.360 nan 0.000 0.454 422 F N 0.281 120.205 119.950 -0.044 0.000 2.639 422 F HA 0.367 4.894 4.527 0.000 0.000 0.302 422 F C 0.548 176.451 175.800 0.171 0.000 1.097 422 F CA -0.367 57.611 58.000 -0.037 0.000 1.294 422 F CB 0.516 39.186 39.000 -0.551 0.000 1.027 422 F HN -0.243 nan 8.300 nan 0.000 0.550 423 S N 0.450 116.295 115.700 0.241 0.000 2.560 423 S HA 0.024 4.494 4.470 0.001 0.000 0.284 423 S C -0.760 174.012 174.600 0.286 0.000 1.327 423 S CA -0.040 58.287 58.200 0.212 0.000 1.055 423 S CB 0.245 63.540 63.200 0.158 0.000 0.868 423 S HN 0.288 nan 8.310 nan 0.000 0.506 424 Y N 5.283 125.576 120.300 -0.011 0.000 2.360 424 Y HA 0.469 5.019 4.550 0.000 0.000 0.337 424 Y C -1.785 174.048 175.900 -0.111 0.000 1.039 424 Y CA -1.970 56.002 58.100 -0.214 0.000 1.109 424 Y CB 1.672 39.819 38.460 -0.520 0.000 1.201 424 Y HN 0.446 nan 8.280 nan 0.000 0.458 425 P HA 0.167 nan 4.420 nan 0.000 0.274 425 P C -0.472 176.661 177.300 -0.278 0.000 1.352 425 P CA 0.330 62.870 63.100 -0.934 0.000 0.947 425 P CB 0.739 31.722 31.700 -1.196 0.000 1.437 426 D N 0.202 120.534 120.400 -0.114 0.000 2.349 426 D HA 0.087 4.727 4.640 0.001 0.000 0.214 426 D C 1.268 177.586 176.300 0.031 0.000 1.063 426 D CA 0.213 54.193 54.000 -0.033 0.000 0.847 426 D CB 0.306 41.089 40.800 -0.028 0.000 0.933 426 D HN 0.148 nan 8.370 nan 0.000 0.513 427 G N 0.551 109.418 108.800 0.111 0.000 2.554 427 G HA2 -0.043 3.917 3.960 0.001 0.000 0.238 427 G HA3 -0.043 3.917 3.960 0.001 0.000 0.238 427 G C 1.081 176.004 174.900 0.037 0.000 1.259 427 G CA -0.437 44.728 45.100 0.108 0.000 0.843 427 G HN 0.026 nan 8.290 nan 0.000 0.582 428 R N 0.537 121.010 120.500 -0.045 0.000 2.113 428 R HA -0.220 4.120 4.340 0.001 0.000 0.244 428 R C 2.134 178.347 176.300 -0.144 0.000 1.142 428 R CA 2.044 58.089 56.100 -0.092 0.000 0.953 428 R CB -0.399 29.835 30.300 -0.110 0.000 0.860 428 R HN 0.618 nan 8.270 nan 0.000 0.438 429 F N -0.216 119.493 119.950 -0.402 0.000 2.146 429 F HA -0.183 4.345 4.527 0.001 0.000 0.298 429 F C 1.637 177.189 175.800 -0.414 0.000 1.096 429 F CA 1.338 59.023 58.000 -0.525 0.000 1.275 429 F CB -0.241 38.193 39.000 -0.943 0.000 1.008 429 F HN 0.011 nan 8.300 nan 0.000 0.480 430 W N 0.466 121.740 121.300 -0.043 0.000 2.418 430 W HA -0.073 4.587 4.660 0.000 0.000 0.292 430 W C 2.625 179.023 176.519 -0.202 0.000 1.213 430 W CA 1.689 58.977 57.345 -0.095 0.000 1.283 430 W CB -0.878 28.612 29.460 0.049 0.000 1.119 430 W HN 0.007 nan 8.180 nan 0.000 0.542 431 V N -1.150 118.772 119.914 0.014 0.000 2.392 431 V HA -0.298 3.822 4.120 0.001 0.000 0.249 431 V C 1.771 177.806 176.094 -0.098 0.000 1.059 431 V CA 2.445 64.718 62.300 -0.045 0.000 1.051 431 V CB -1.063 30.730 31.823 -0.050 0.000 0.658 431 V HN 0.352 nan 8.190 nan 0.000 0.455 432 E N 0.143 120.234 120.200 -0.181 0.000 2.122 432 E HA -0.221 4.130 4.350 0.001 0.000 0.190 432 E C 2.122 178.571 176.600 -0.251 0.000 0.977 432 E CA 1.000 57.276 56.400 -0.206 0.000 0.820 432 E CB -0.243 29.315 29.700 -0.236 0.000 0.770 432 E HN 0.738 nan 8.360 nan 0.000 0.462 433 D N 0.283 120.436 120.400 -0.411 0.000 2.117 433 D HA -0.147 4.493 4.640 0.001 0.000 0.198 433 D C 1.946 178.190 176.300 -0.093 0.000 0.982 433 D CA 0.687 54.462 54.000 -0.375 0.000 0.828 433 D CB 0.194 40.556 40.800 -0.730 0.000 0.967 433 D HN 0.217 nan 8.370 nan 0.000 0.464 434 L N 1.105 122.329 121.223 0.002 0.000 2.201 434 L HA 0.059 4.399 4.340 0.001 0.000 0.212 434 L C 1.735 178.604 176.870 -0.001 0.000 1.105 434 L CA 0.453 55.324 54.840 0.053 0.000 0.775 434 L CB -1.597 40.498 42.059 0.060 0.000 0.913 434 L HN -0.041 nan 8.230 nan 0.000 0.440 435 A N 0.000 122.798 122.820 -0.037 0.000 2.254 435 A HA 0.000 4.320 4.320 0.001 0.000 0.244 435 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 435 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 435 A HN 0.000 nan 8.150 nan 0.000 0.486