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 1yey_1_A DATA FIRST_RESID 2 DATA SEQUENCE RTIIALETHD VRFPTSREXX XXXXXNPDPD YSAAYVVLRT DGAEDLAGYG DATA SEQUENCE LVFTIGRGND VQTAAVAALA EHVVGLSVDK VIADLGAFAR RLTNDSQLRW DATA SEQUENCE LGPEKGVXHX AIGAVINAAW DLAARAANKP LWRFIAELTP EQLVDTIDFR DATA SEQUENCE YLSDALTRDE ALAILRDAQP QRAARTATLI EQGYPAYTTS PGWXXXXDEK DATA SEQUENCE LVRLAKEAVA DGFRTIKLKV GANVQDDIRR CRLARAAIGP DIAXAVDANQ DATA SEQUENCE RWDVGPAIDW XRQLAEFDIA WIEEPTSPDD VLGHAAIRQG ITPVPVSTGE DATA SEQUENCE HTQNRVVFKQ LLQAGAVDLI QIDAARVGGV NENLAILLLA AKFGVRVFPH DATA SEQUENCE AGGVGLCELV QHLAXADFVA ITGKXEDRAI EFVDHLHQHF LDPVRIQHGR DATA SEQUENCE YLAPEVPGFS AEXHPASIAE 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 0.000 176.283 176.300 -0.028 0.000 0.893 2 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 2 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 3 T N 2.843 117.381 114.554 -0.025 0.000 2.907 3 T HA 0.517 4.867 4.350 -0.000 0.000 0.292 3 T C 0.021 174.704 174.700 -0.028 0.000 1.043 3 T CA -0.686 61.401 62.100 -0.023 0.000 1.003 3 T CB 1.633 70.494 68.868 -0.012 0.000 1.084 3 T HN 0.319 nan 8.240 nan 0.000 0.483 4 I N 3.435 123.989 120.570 -0.026 0.000 2.308 4 I HA 0.204 4.374 4.170 -0.000 0.000 0.293 4 I C 1.585 177.694 176.117 -0.013 0.000 1.078 4 I CA -0.117 61.165 61.300 -0.030 0.000 1.292 4 I CB 0.538 38.524 38.000 -0.024 0.000 1.423 4 I HN 0.675 nan 8.210 nan 0.000 0.493 5 I N 3.372 123.931 120.570 -0.018 0.000 3.226 5 I HA 0.443 4.613 4.170 -0.000 0.000 0.277 5 I C 0.781 176.893 176.117 -0.008 0.000 1.243 5 I CA 0.210 61.504 61.300 -0.010 0.000 1.459 5 I CB 0.140 38.135 38.000 -0.009 0.000 1.093 5 I HN 0.509 nan 8.210 nan 0.000 0.453 6 A N 1.320 124.131 122.820 -0.015 0.000 2.605 6 A HA 0.682 5.002 4.320 -0.000 0.000 0.294 6 A C -1.826 175.744 177.584 -0.024 0.000 1.062 6 A CA -0.517 51.512 52.037 -0.014 0.000 0.682 6 A CB 1.514 20.507 19.000 -0.012 0.000 1.278 6 A HN 0.205 nan 8.150 nan 0.000 0.410 7 L N 1.879 123.092 121.223 -0.018 0.000 2.366 7 L HA 0.508 4.848 4.340 -0.000 0.000 0.266 7 L C 0.029 176.875 176.870 -0.040 0.000 1.010 7 L CA -0.050 54.775 54.840 -0.025 0.000 0.879 7 L CB 0.811 42.873 42.059 0.005 0.000 1.228 7 L HN 0.753 nan 8.230 nan 0.000 0.439 8 E N 1.966 122.133 120.200 -0.055 0.000 2.266 8 E HA 0.667 5.017 4.350 -0.000 0.000 0.277 8 E C -0.852 175.688 176.600 -0.101 0.000 1.018 8 E CA -0.692 55.661 56.400 -0.077 0.000 0.840 8 E CB 1.280 30.967 29.700 -0.023 0.000 1.082 8 E HN 0.504 nan 8.360 nan 0.000 0.395 9 T N 0.433 114.871 114.554 -0.195 0.000 2.893 9 T HA 0.510 4.860 4.350 -0.000 0.000 0.293 9 T C -1.003 173.522 174.700 -0.292 0.000 1.027 9 T CA -0.959 61.067 62.100 -0.123 0.000 0.988 9 T CB 1.107 69.942 68.868 -0.055 0.000 1.043 9 T HN 0.571 nan 8.240 nan 0.000 0.461 10 H N 0.306 119.457 119.070 0.135 0.000 2.679 10 H HA 0.530 5.086 4.556 -0.000 0.000 0.360 10 H C -1.145 174.256 175.328 0.121 0.000 1.105 10 H CA -0.719 55.419 56.048 0.151 0.000 1.196 10 H CB 1.606 31.508 29.762 0.234 0.000 1.636 10 H HN 0.641 nan 8.280 nan 0.000 0.531 11 D N 3.285 123.790 120.400 0.175 0.000 2.422 11 D HA 0.164 4.804 4.640 -0.000 0.000 0.227 11 D C -0.806 175.539 176.300 0.076 0.000 1.190 11 D CA -0.193 53.863 54.000 0.094 0.000 0.905 11 D CB 0.285 41.126 40.800 0.068 0.000 1.034 11 D HN 0.217 nan 8.370 nan 0.000 0.507 12 V N 5.898 125.828 119.914 0.026 0.000 2.384 12 V HA 0.506 4.626 4.120 -0.000 0.000 0.287 12 V C 0.264 176.204 176.094 -0.257 0.000 1.020 12 V CA -0.802 61.437 62.300 -0.101 0.000 0.850 12 V CB 1.308 33.032 31.823 -0.164 0.000 0.987 12 V HN 0.432 nan 8.190 nan 0.000 0.436 13 R N 3.925 124.262 120.500 -0.273 0.000 2.574 13 R HA 0.649 4.989 4.340 -0.000 0.000 0.288 13 R C -1.842 174.382 176.300 -0.126 0.000 1.004 13 R CA -0.586 55.358 56.100 -0.259 0.000 0.895 13 R CB 1.687 31.818 30.300 -0.283 0.000 1.191 13 R HN 0.407 nan 8.270 nan 0.000 0.444 14 F N 2.601 122.594 119.950 0.072 0.000 2.421 14 F HA 0.369 4.896 4.527 -0.000 0.000 0.337 14 F C -1.469 174.346 175.800 0.026 0.000 1.105 14 F CA -2.784 55.108 58.000 -0.180 0.000 1.049 14 F CB 1.600 40.273 39.000 -0.545 0.000 1.139 14 F HN 0.347 nan 8.300 nan 0.000 0.479 15 P HA 0.015 nan 4.420 nan 0.000 0.228 15 P C 0.851 178.168 177.300 0.029 0.000 1.748 15 P CA 0.184 63.380 63.100 0.161 0.000 0.909 15 P CB -0.596 31.135 31.700 0.053 0.000 1.882 16 T N -3.046 111.489 114.554 -0.032 0.000 2.977 16 T HA -0.145 4.205 4.350 -0.000 0.000 0.271 16 T C 1.823 176.415 174.700 -0.179 0.000 1.105 16 T CA 1.397 63.392 62.100 -0.176 0.000 1.116 16 T CB -0.931 67.689 68.868 -0.413 0.000 0.878 16 T HN 0.273 nan 8.240 nan 0.000 0.509 17 S N 1.798 117.439 115.700 -0.099 0.000 2.469 17 S HA -0.048 4.422 4.470 -0.000 0.000 0.238 17 S C 1.828 176.401 174.600 -0.046 0.000 0.998 17 S CA 0.135 58.287 58.200 -0.080 0.000 0.957 17 S CB -0.555 62.635 63.200 -0.017 0.000 0.764 17 S HN 0.628 nan 8.310 nan 0.000 0.514 18 R N 0.606 121.096 120.500 -0.017 0.000 2.363 18 R HA 0.389 4.729 4.340 -0.000 0.000 0.236 18 R C -0.133 176.154 176.300 -0.022 0.000 0.966 18 R CA 0.101 56.203 56.100 0.003 0.000 1.100 18 R CB 0.062 30.390 30.300 0.046 0.000 1.125 18 R HN 0.395 nan 8.270 nan 0.000 0.514 28 P HA 0.347 nan 4.420 nan 0.000 0.283 28 P C -0.131 177.155 177.300 -0.023 0.000 1.271 28 P CA -0.010 63.082 63.100 -0.012 0.000 0.841 28 P CB 1.014 32.712 31.700 -0.003 0.000 1.122 29 D N -1.039 119.336 120.400 -0.041 0.000 2.692 29 D HA -0.126 4.514 4.640 -0.000 0.000 0.233 29 D C -2.066 174.210 176.300 -0.039 0.000 1.172 29 D CA 0.039 54.013 54.000 -0.043 0.000 0.636 29 D CB -2.011 38.779 40.800 -0.017 0.000 1.028 29 D HN 0.290 nan 8.370 nan 0.000 0.419 30 P HA 0.339 nan 4.420 nan 0.000 0.279 30 P C -0.772 176.521 177.300 -0.011 0.000 1.239 30 P CA -0.116 62.986 63.100 0.004 0.000 0.789 30 P CB 0.691 32.446 31.700 0.092 0.000 0.933 31 D N 1.932 122.360 120.400 0.046 0.000 2.485 31 D HA 0.177 4.817 4.640 -0.000 0.000 0.229 31 D C -0.122 176.306 176.300 0.214 0.000 1.101 31 D CA -0.293 53.752 54.000 0.074 0.000 0.906 31 D CB -0.259 40.575 40.800 0.055 0.000 1.019 31 D HN 0.311 nan 8.370 nan 0.000 0.516 32 Y N 1.566 121.931 120.300 0.107 0.000 2.865 32 Y HA -0.045 4.505 4.550 -0.000 0.000 0.338 32 Y C 0.821 176.865 175.900 0.239 0.000 1.269 32 Y CA -0.092 58.172 58.100 0.274 0.000 1.585 32 Y CB 0.247 38.877 38.460 0.283 0.000 1.224 32 Y HN 0.267 nan 8.280 nan 0.000 0.554 33 S N 1.622 117.482 115.700 0.267 0.000 2.667 33 S HA 0.885 5.355 4.470 -0.000 0.000 0.292 33 S C -0.964 173.719 174.600 0.137 0.000 1.126 33 S CA -0.891 57.359 58.200 0.084 0.000 0.881 33 S CB 2.141 65.285 63.200 -0.093 0.000 1.132 33 S HN 0.713 nan 8.310 nan 0.000 0.492 34 A N 0.570 123.437 122.820 0.077 0.000 2.459 34 A HA 0.778 5.098 4.320 -0.000 0.000 0.296 34 A C -0.828 176.831 177.584 0.124 0.000 1.039 34 A CA -0.584 51.542 52.037 0.150 0.000 0.698 34 A CB 1.066 20.209 19.000 0.238 0.000 1.261 34 A HN 1.144 nan 8.150 nan 0.000 0.405 35 A N 1.978 124.872 122.820 0.124 0.000 2.527 35 A HA 0.522 4.842 4.320 -0.000 0.000 0.313 35 A C -0.616 177.101 177.584 0.221 0.000 1.410 35 A CA -0.176 51.936 52.037 0.125 0.000 1.060 35 A CB -0.544 18.493 19.000 0.062 0.000 1.137 35 A HN 1.100 nan 8.150 nan 0.000 0.542 36 Y N 3.196 123.571 120.300 0.125 0.000 2.359 36 Y HA 0.440 4.990 4.550 -0.000 0.000 0.334 36 Y C -0.300 175.716 175.900 0.194 0.000 1.058 36 Y CA -0.325 57.877 58.100 0.171 0.000 1.244 36 Y CB 0.874 39.443 38.460 0.182 0.000 1.187 36 Y HN 0.399 nan 8.280 nan 0.000 0.510 37 V N 6.708 126.522 119.914 -0.166 0.000 2.555 37 V HA 0.597 4.717 4.120 -0.000 0.000 0.302 37 V C -0.882 174.995 176.094 -0.362 0.000 1.038 37 V CA -1.020 61.167 62.300 -0.188 0.000 0.887 37 V CB 1.673 33.459 31.823 -0.061 0.000 0.991 37 V HN 0.514 nan 8.190 nan 0.000 0.434 38 V N 5.156 124.902 119.914 -0.280 0.000 2.525 38 V HA 0.416 4.536 4.120 -0.000 0.000 0.299 38 V C -0.800 175.140 176.094 -0.256 0.000 1.034 38 V CA -0.537 61.541 62.300 -0.370 0.000 0.863 38 V CB 1.841 33.481 31.823 -0.305 0.000 0.999 38 V HN 0.606 nan 8.190 nan 0.000 0.423 39 L N 6.249 127.294 121.223 -0.297 0.000 2.270 39 L HA 0.508 4.848 4.340 -0.000 0.000 0.286 39 L C 0.404 177.153 176.870 -0.200 0.000 1.059 39 L CA 0.119 54.847 54.840 -0.188 0.000 0.839 39 L CB 0.435 42.396 42.059 -0.163 0.000 1.221 39 L HN 0.486 nan 8.230 nan 0.000 0.431 40 R N 1.756 122.177 120.500 -0.132 0.000 2.357 40 R HA 0.609 4.949 4.340 -0.000 0.000 0.296 40 R C 0.220 176.479 176.300 -0.068 0.000 1.052 40 R CA -0.206 55.836 56.100 -0.097 0.000 0.988 40 R CB 1.326 31.594 30.300 -0.053 0.000 1.025 40 R HN 0.684 nan 8.270 nan 0.000 0.469 41 T N -2.613 111.906 114.554 -0.058 0.000 2.910 41 T HA 0.281 4.631 4.350 -0.000 0.000 0.287 41 T C 0.180 174.865 174.700 -0.025 0.000 1.050 41 T CA -0.822 61.252 62.100 -0.044 0.000 1.011 41 T CB 1.521 70.356 68.868 -0.055 0.000 1.195 41 T HN 0.476 nan 8.240 nan 0.000 0.540 42 D N -0.986 119.402 120.400 -0.020 0.000 2.491 42 D HA 0.334 4.974 4.640 -0.000 0.000 0.228 42 D C 0.855 177.150 176.300 -0.009 0.000 1.183 42 D CA -0.536 53.457 54.000 -0.011 0.000 0.827 42 D CB -0.226 40.569 40.800 -0.008 0.000 0.989 42 D HN 0.753 nan 8.370 nan 0.000 0.494 43 G N -0.296 108.496 108.800 -0.013 0.000 2.890 43 G HA2 0.563 4.523 3.960 -0.000 0.000 0.189 43 G HA3 0.563 4.523 3.960 -0.000 0.000 0.189 43 G C -0.290 174.610 174.900 -0.001 0.000 1.342 43 G CA -0.516 44.578 45.100 -0.010 0.000 1.026 43 G HN 0.333 nan 8.290 nan 0.000 0.579 44 A N -0.643 122.178 122.820 0.002 0.000 2.561 44 A HA 0.283 4.603 4.320 -0.000 0.000 0.234 44 A C 1.251 178.847 177.584 0.020 0.000 1.055 44 A CA 0.612 52.656 52.037 0.012 0.000 0.756 44 A CB 0.235 19.243 19.000 0.013 0.000 0.986 44 A HN 0.677 nan 8.150 nan 0.000 0.505 45 E N 0.867 121.086 120.200 0.031 0.000 2.396 45 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 45 E C 1.131 177.771 176.600 0.067 0.000 1.023 45 E CA 1.595 58.023 56.400 0.046 0.000 0.857 45 E CB -0.018 29.713 29.700 0.053 0.000 0.775 45 E HN 0.735 nan 8.360 nan 0.000 0.525 46 D N -0.701 119.734 120.400 0.058 0.000 2.224 46 D HA -0.090 4.549 4.640 -0.000 0.000 0.205 46 D C 0.077 176.420 176.300 0.071 0.000 0.965 46 D CA 0.206 54.250 54.000 0.074 0.000 0.852 46 D CB 0.069 40.900 40.800 0.052 0.000 0.947 46 D HN 0.147 nan 8.370 nan 0.000 0.494 47 L N 1.333 122.576 121.223 0.032 0.000 2.334 47 L HA 0.521 4.861 4.340 -0.000 0.000 0.286 47 L C -0.715 176.137 176.870 -0.029 0.000 1.108 47 L CA 0.031 54.870 54.840 -0.001 0.000 0.875 47 L CB -0.500 41.546 42.059 -0.022 0.000 1.246 47 L HN -0.024 nan 8.230 nan 0.000 0.439 48 A N 3.277 126.071 122.820 -0.044 0.000 2.612 48 A HA 0.767 5.087 4.320 -0.000 0.000 0.293 48 A C -0.508 176.930 177.584 -0.244 0.000 1.075 48 A CA -0.187 51.739 52.037 -0.183 0.000 0.680 48 A CB 1.381 20.222 19.000 -0.266 0.000 1.279 48 A HN 0.671 nan 8.150 nan 0.000 0.411 49 G N -0.203 108.380 108.800 -0.361 0.000 2.416 49 G HA2 0.605 4.565 3.960 -0.000 0.000 0.324 49 G HA3 0.605 4.565 3.960 -0.000 0.000 0.324 49 G C -1.394 173.255 174.900 -0.419 0.000 1.194 49 G CA -0.260 44.694 45.100 -0.244 0.000 0.922 49 G HN 0.482 nan 8.290 nan 0.000 0.467 50 Y N 0.474 120.786 120.300 0.020 0.000 2.429 50 Y HA 0.738 5.288 4.550 -0.000 0.000 0.342 50 Y C 0.759 176.673 175.900 0.022 0.000 1.004 50 Y CA -0.290 57.804 58.100 -0.010 0.000 1.075 50 Y CB 2.854 41.365 38.460 0.085 0.000 1.214 50 Y HN 0.845 nan 8.280 nan 0.000 0.455 51 G N 1.886 110.751 108.800 0.109 0.000 2.649 51 G HA2 0.734 4.694 3.960 -0.000 0.000 0.290 51 G HA3 0.734 4.694 3.960 -0.000 0.000 0.290 51 G C -2.002 172.977 174.900 0.132 0.000 1.426 51 G CA -0.982 44.166 45.100 0.080 0.000 0.794 51 G HN 0.853 nan 8.290 nan 0.000 0.483 52 L N -2.475 118.820 121.223 0.120 0.000 2.794 52 L HA 0.835 5.175 4.340 -0.000 0.000 0.261 52 L C -1.727 175.217 176.870 0.124 0.000 0.989 52 L CA -1.199 53.755 54.840 0.190 0.000 0.900 52 L CB 1.521 43.788 42.059 0.346 0.000 1.473 52 L HN 0.468 nan 8.230 nan 0.000 0.414 53 V N 2.074 122.065 119.914 0.128 0.000 2.417 53 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 53 V C -0.455 175.725 176.094 0.143 0.000 1.024 53 V CA -0.259 62.098 62.300 0.094 0.000 0.861 53 V CB 1.455 33.299 31.823 0.035 0.000 0.985 53 V HN 0.593 nan 8.190 nan 0.000 0.436 54 F N 4.642 124.598 119.950 0.010 0.000 2.445 54 F HA 0.589 5.116 4.527 -0.000 0.000 0.359 54 F C 0.422 176.211 175.800 -0.018 0.000 1.101 54 F CA 0.310 58.309 58.000 -0.003 0.000 1.177 54 F CB 0.763 39.746 39.000 -0.028 0.000 1.110 54 F HN 0.535 nan 8.300 nan 0.000 0.522 55 T N 6.848 120.987 114.554 -0.693 0.000 2.905 55 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 55 T C 0.472 174.641 174.700 -0.885 0.000 1.031 55 T CA -0.512 61.194 62.100 -0.657 0.000 1.002 55 T CB 1.611 70.302 68.868 -0.295 0.000 1.200 55 T HN 0.666 nan 8.240 nan 0.000 0.560 56 I N 0.270 120.549 120.570 -0.486 0.000 3.947 56 I HA 0.387 4.557 4.170 -0.000 0.000 0.327 56 I C 0.937 176.980 176.117 -0.123 0.000 1.519 56 I CA 0.247 61.386 61.300 -0.269 0.000 1.122 56 I CB -0.258 37.627 38.000 -0.191 0.000 1.146 56 I HN 0.941 nan 8.210 nan 0.000 0.442 57 G N 1.096 109.796 108.800 -0.168 0.000 1.844 57 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.177 57 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.177 57 G C -0.426 174.336 174.900 -0.231 0.000 1.010 57 G CA -0.861 44.130 45.100 -0.182 0.000 1.257 57 G HN 0.145 nan 8.290 nan 0.000 0.428 58 R N 1.230 121.620 120.500 -0.183 0.000 2.679 58 R HA 0.399 4.739 4.340 -0.000 0.000 0.268 58 R C 1.462 177.677 176.300 -0.142 0.000 1.044 58 R CA 1.265 57.267 56.100 -0.164 0.000 1.105 58 R CB 0.259 30.495 30.300 -0.107 0.000 0.989 58 R HN 2.144 nan 8.270 nan 0.000 0.447 59 G N 1.521 110.248 108.800 -0.121 0.000 2.199 59 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.254 59 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.254 59 G C 0.812 175.650 174.900 -0.103 0.000 0.982 59 G CA 0.557 45.599 45.100 -0.097 0.000 0.632 59 G HN 0.679 nan 8.290 nan 0.000 0.529 60 N N 1.581 120.198 118.700 -0.137 0.000 2.309 60 N HA -0.055 4.684 4.740 -0.000 0.000 0.182 60 N C 1.934 177.401 175.510 -0.072 0.000 1.018 60 N CA 1.996 54.974 53.050 -0.120 0.000 0.876 60 N CB -0.167 38.223 38.487 -0.161 0.000 0.972 60 N HN 0.637 nan 8.380 nan 0.000 0.434 61 D N -0.170 120.192 120.400 -0.062 0.000 2.149 61 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 61 D C 2.008 178.297 176.300 -0.018 0.000 0.972 61 D CA 1.437 55.426 54.000 -0.018 0.000 0.835 61 D CB -0.860 39.945 40.800 0.009 0.000 0.966 61 D HN 0.295 nan 8.370 nan 0.000 0.476 62 V N -1.087 118.810 119.914 -0.028 0.000 2.453 62 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 62 V C 2.553 178.634 176.094 -0.021 0.000 1.048 62 V CA 1.607 63.894 62.300 -0.022 0.000 1.049 62 V CB -1.087 30.721 31.823 -0.025 0.000 0.672 62 V HN 0.021 nan 8.190 nan 0.000 0.457 63 Q N 1.310 121.091 119.800 -0.033 0.000 2.124 63 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 63 Q C 2.147 178.141 176.000 -0.011 0.000 0.977 63 Q CA 2.703 58.489 55.803 -0.029 0.000 0.850 63 Q CB -0.986 27.724 28.738 -0.047 0.000 0.901 63 Q HN 0.717 nan 8.270 nan 0.000 0.429 64 T N -0.125 114.426 114.554 -0.005 0.000 2.857 64 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 64 T C 1.677 176.378 174.700 0.002 0.000 1.048 64 T CA 1.087 63.192 62.100 0.009 0.000 1.139 64 T CB -0.432 68.446 68.868 0.017 0.000 0.874 64 T HN 0.436 nan 8.240 nan 0.000 0.455 65 A N 1.453 124.272 122.820 -0.002 0.000 1.930 65 A HA 0.207 4.527 4.320 -0.000 0.000 0.217 65 A C 2.617 180.203 177.584 0.004 0.000 1.175 65 A CA 1.675 53.712 52.037 -0.001 0.000 0.627 65 A CB -0.998 18.001 19.000 -0.001 0.000 0.815 65 A HN 0.488 nan 8.150 nan 0.000 0.443 66 A N -0.440 122.381 122.820 0.002 0.000 1.902 66 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 66 A C 2.227 179.813 177.584 0.004 0.000 1.181 66 A CA 1.858 53.898 52.037 0.005 0.000 0.623 66 A CB -0.938 18.062 19.000 -0.000 0.000 0.818 66 A HN 0.390 nan 8.150 nan 0.000 0.443 67 V N -0.154 119.762 119.914 0.003 0.000 2.295 67 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 67 V C 3.045 179.144 176.094 0.008 0.000 1.049 67 V CA 1.910 64.213 62.300 0.005 0.000 1.024 67 V CB -1.264 30.565 31.823 0.010 0.000 0.648 67 V HN 0.611 nan 8.190 nan 0.000 0.447 68 A N 0.064 122.887 122.820 0.004 0.000 1.972 68 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 68 A C 2.325 179.921 177.584 0.020 0.000 1.169 68 A CA 1.831 53.870 52.037 0.003 0.000 0.635 68 A CB -0.663 18.332 19.000 -0.008 0.000 0.810 68 A HN 0.600 nan 8.150 nan 0.000 0.446 69 A N -0.614 122.222 122.820 0.026 0.000 2.172 69 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 69 A C 1.790 179.429 177.584 0.091 0.000 1.154 69 A CA 1.010 53.076 52.037 0.048 0.000 0.701 69 A CB -0.465 18.560 19.000 0.042 0.000 0.789 69 A HN 0.484 nan 8.150 nan 0.000 0.465 70 L N -1.270 119.994 121.223 0.069 0.000 2.591 70 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 70 L C 2.676 179.634 176.870 0.147 0.000 1.133 70 L CA 0.336 55.233 54.840 0.096 0.000 0.880 70 L CB -0.364 41.687 42.059 -0.013 0.000 1.033 70 L HN 0.401 nan 8.230 nan 0.000 0.450 71 A N 0.802 123.680 122.820 0.097 0.000 1.873 71 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 71 A C 2.156 179.785 177.584 0.076 0.000 1.193 71 A CA 1.866 53.946 52.037 0.072 0.000 0.629 71 A CB -0.382 18.639 19.000 0.036 0.000 0.826 71 A HN 0.458 nan 8.150 nan 0.000 0.447 72 E N -1.108 119.126 120.200 0.057 0.000 2.209 72 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 72 E C 1.772 178.349 176.600 -0.039 0.000 0.993 72 E CA 1.091 57.482 56.400 -0.015 0.000 0.819 72 E CB -0.305 29.346 29.700 -0.081 0.000 0.745 72 E HN 0.757 nan 8.360 nan 0.000 0.477 73 H N -0.838 118.231 119.070 -0.000 0.000 2.495 73 H HA -0.012 4.544 4.556 -0.000 0.000 0.287 73 H C 1.859 177.197 175.328 0.017 0.000 1.033 73 H CA 0.883 56.923 56.048 -0.014 0.000 1.307 73 H CB 0.642 30.373 29.762 -0.050 0.000 1.401 73 H HN 0.060 nan 8.280 nan 0.000 0.555 74 V N 0.682 120.699 119.914 0.172 0.000 3.013 74 V HA -0.034 4.086 4.120 -0.000 0.000 0.238 74 V C 0.970 177.136 176.094 0.119 0.000 1.161 74 V CA 0.376 62.790 62.300 0.191 0.000 1.170 74 V CB 0.693 32.657 31.823 0.235 0.000 0.917 74 V HN 0.142 nan 8.190 nan 0.000 0.478 75 V N 0.842 120.800 119.914 0.073 0.000 2.599 75 V HA 0.609 4.729 4.120 -0.000 0.000 0.300 75 V C 1.174 177.287 176.094 0.031 0.000 1.034 75 V CA 0.866 63.189 62.300 0.039 0.000 1.115 75 V CB -0.213 31.623 31.823 0.021 0.000 0.934 75 V HN 0.826 nan 8.190 nan 0.000 0.485 76 G N 3.053 111.866 108.800 0.023 0.000 2.218 76 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 76 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 76 G C 0.005 174.918 174.900 0.023 0.000 0.994 76 G CA -0.029 45.081 45.100 0.016 0.000 0.637 76 G HN 0.875 nan 8.290 nan 0.000 0.505 77 L N 1.830 123.077 121.223 0.041 0.000 2.439 77 L HA 0.490 4.830 4.340 -0.000 0.000 0.269 77 L C 1.306 178.186 176.870 0.016 0.000 1.179 77 L CA 0.199 55.069 54.840 0.050 0.000 0.828 77 L CB 1.340 43.465 42.059 0.110 0.000 1.106 77 L HN 0.286 nan 8.230 nan 0.000 0.467 78 S N 1.405 117.111 115.700 0.010 0.000 2.505 78 S HA 0.119 4.589 4.470 -0.000 0.000 0.276 78 S C 1.132 175.710 174.600 -0.038 0.000 1.274 78 S CA -0.860 57.333 58.200 -0.012 0.000 1.053 78 S CB 1.151 64.346 63.200 -0.007 0.000 0.919 78 S HN 0.393 nan 8.310 nan 0.000 0.490 79 V N 4.924 124.805 119.914 -0.056 0.000 2.252 79 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 79 V C 2.221 178.257 176.094 -0.097 0.000 1.056 79 V CA 2.297 64.542 62.300 -0.093 0.000 1.022 79 V CB -0.663 31.109 31.823 -0.085 0.000 0.641 79 V HN 0.853 nan 8.190 nan 0.000 0.445 80 D N -0.352 120.008 120.400 -0.066 0.000 2.182 80 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 80 D C 2.159 178.427 176.300 -0.054 0.000 0.986 80 D CA 1.555 55.520 54.000 -0.058 0.000 0.847 80 D CB -0.094 40.684 40.800 -0.037 0.000 0.942 80 D HN 0.487 nan 8.370 nan 0.000 0.467 81 K N 0.901 121.276 120.400 -0.042 0.000 2.155 81 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 81 K C 2.022 178.603 176.600 -0.033 0.000 1.052 81 K CA 0.520 56.794 56.287 -0.022 0.000 0.948 81 K CB 0.231 32.734 32.500 0.004 0.000 0.728 81 K HN -0.101 nan 8.250 nan 0.000 0.448 82 V N 1.166 121.029 119.914 -0.085 0.000 2.283 82 V HA -0.212 3.908 4.120 -0.000 0.000 0.243 82 V C 2.140 178.098 176.094 -0.227 0.000 1.039 82 V CA 1.316 63.506 62.300 -0.182 0.000 1.016 82 V CB -0.330 31.254 31.823 -0.400 0.000 0.650 82 V HN 0.230 nan 8.190 nan 0.000 0.449 83 I N 1.084 121.522 120.570 -0.219 0.000 2.264 83 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 83 I C 2.384 178.424 176.117 -0.130 0.000 1.111 83 I CA 1.762 62.940 61.300 -0.204 0.000 1.382 83 I CB -0.951 36.954 38.000 -0.158 0.000 1.060 83 I HN 0.244 nan 8.210 nan 0.000 0.418 84 A N -1.522 121.246 122.820 -0.087 0.000 2.123 84 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 84 A C 1.024 178.579 177.584 -0.049 0.000 1.152 84 A CA 0.810 52.814 52.037 -0.054 0.000 0.728 84 A CB -0.094 18.886 19.000 -0.033 0.000 0.814 84 A HN 0.309 nan 8.150 nan 0.000 0.464 85 D N -0.350 120.018 120.400 -0.052 0.000 2.621 85 D HA 0.268 4.908 4.640 -0.000 0.000 0.274 85 D C 0.311 176.608 176.300 -0.005 0.000 1.215 85 D CA -0.342 53.650 54.000 -0.014 0.000 0.810 85 D CB 0.532 41.347 40.800 0.024 0.000 1.248 85 D HN -0.027 nan 8.370 nan 0.000 0.517 86 L N 1.248 122.414 121.223 -0.096 0.000 2.141 86 L HA 0.130 4.470 4.340 -0.000 0.000 0.209 86 L C 2.409 179.348 176.870 0.115 0.000 1.094 86 L CA 1.656 56.423 54.840 -0.120 0.000 0.763 86 L CB -0.703 41.005 42.059 -0.585 0.000 0.908 86 L HN 0.445 nan 8.230 nan 0.000 0.437 87 G N -1.269 107.598 108.800 0.112 0.000 2.402 87 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 87 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 87 G C 1.673 176.652 174.900 0.131 0.000 1.162 87 G CA 0.770 45.960 45.100 0.151 0.000 0.777 87 G HN 0.485 nan 8.290 nan 0.000 0.539 88 A N 0.313 123.200 122.820 0.113 0.000 1.929 88 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 88 A C 2.141 179.795 177.584 0.116 0.000 1.176 88 A CA 1.400 53.495 52.037 0.098 0.000 0.628 88 A CB -0.513 18.537 19.000 0.083 0.000 0.816 88 A HN 0.383 nan 8.150 nan 0.000 0.444 89 F N 1.164 121.125 119.950 0.018 0.000 2.134 89 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 89 F C 2.456 178.287 175.800 0.050 0.000 1.097 89 F CA 1.221 59.234 58.000 0.022 0.000 1.264 89 F CB -0.367 38.627 39.000 -0.011 0.000 1.001 89 F HN 0.241 nan 8.300 nan 0.000 0.479 90 A N 0.601 123.493 122.820 0.120 0.000 1.902 90 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 90 A C 2.307 179.873 177.584 -0.029 0.000 1.181 90 A CA 1.609 53.678 52.037 0.055 0.000 0.623 90 A CB -0.680 18.443 19.000 0.204 0.000 0.818 90 A HN 0.460 nan 8.150 nan 0.000 0.443 91 R N -0.819 119.685 120.500 0.007 0.000 2.189 91 R HA 0.004 4.344 4.340 -0.000 0.000 0.218 91 R C 2.219 178.498 176.300 -0.034 0.000 1.074 91 R CA 0.911 57.013 56.100 0.003 0.000 0.991 91 R CB -0.188 30.131 30.300 0.030 0.000 0.883 91 R HN 0.486 nan 8.270 nan 0.000 0.457 92 R N -0.075 120.372 120.500 -0.088 0.000 2.148 92 R HA -0.076 4.264 4.340 -0.000 0.000 0.227 92 R C 1.506 177.743 176.300 -0.105 0.000 1.103 92 R CA 0.864 56.914 56.100 -0.083 0.000 0.983 92 R CB -0.032 30.196 30.300 -0.120 0.000 0.874 92 R HN 0.060 nan 8.270 nan 0.000 0.451 93 L N -0.744 120.352 121.223 -0.211 0.000 2.200 93 L HA 0.028 4.368 4.340 -0.000 0.000 0.200 93 L C 2.178 178.979 176.870 -0.115 0.000 1.072 93 L CA 1.702 56.392 54.840 -0.250 0.000 0.787 93 L CB -0.969 40.907 42.059 -0.304 0.000 0.957 93 L HN -0.012 nan 8.230 nan 0.000 0.459 94 T N 0.233 114.758 114.554 -0.048 0.000 2.833 94 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 94 T C 1.426 176.139 174.700 0.023 0.000 1.054 94 T CA 1.226 63.341 62.100 0.026 0.000 1.135 94 T CB -0.126 68.779 68.868 0.062 0.000 0.869 94 T HN 0.224 nan 8.240 nan 0.000 0.466 95 N N 1.368 120.075 118.700 0.012 0.000 2.336 95 N HA 0.014 4.754 4.740 -0.000 0.000 0.189 95 N C 0.068 175.603 175.510 0.042 0.000 1.113 95 N CA 0.105 53.172 53.050 0.028 0.000 0.858 95 N CB -0.007 38.494 38.487 0.024 0.000 0.970 95 N HN 0.376 nan 8.380 nan 0.000 0.471 96 D N 1.149 121.574 120.400 0.041 0.000 2.348 96 D HA -0.010 4.630 4.640 -0.000 0.000 0.259 96 D C 1.154 177.503 176.300 0.081 0.000 1.296 96 D CA 0.050 54.097 54.000 0.079 0.000 0.931 96 D CB 0.658 41.525 40.800 0.111 0.000 1.067 96 D HN 0.149 nan 8.370 nan 0.000 0.503 97 S N 3.283 119.034 115.700 0.085 0.000 2.420 97 S HA -0.275 4.195 4.470 -0.000 0.000 0.237 97 S C 1.588 176.272 174.600 0.140 0.000 1.023 97 S CA 1.027 59.292 58.200 0.107 0.000 0.991 97 S CB -0.158 63.099 63.200 0.094 0.000 0.792 97 S HN 0.614 nan 8.310 nan 0.000 0.488 98 Q N -0.183 119.683 119.800 0.110 0.000 2.187 98 Q HA 0.153 4.493 4.340 -0.000 0.000 0.199 98 Q C 1.879 177.967 176.000 0.146 0.000 0.957 98 Q CA 0.823 56.692 55.803 0.111 0.000 0.857 98 Q CB -0.188 28.587 28.738 0.062 0.000 0.929 98 Q HN 0.397 nan 8.270 nan 0.000 0.453 99 L N 0.312 121.605 121.223 0.117 0.000 2.131 99 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 99 L C 2.057 178.987 176.870 0.100 0.000 1.087 99 L CA 1.513 56.407 54.840 0.090 0.000 0.767 99 L CB -0.358 41.715 42.059 0.025 0.000 0.917 99 L HN 0.064 nan 8.230 nan 0.000 0.441 100 R N -1.629 118.933 120.500 0.105 0.000 2.105 100 R HA -0.254 4.086 4.340 -0.000 0.000 0.239 100 R C 2.159 178.511 176.300 0.087 0.000 1.135 100 R CA 1.490 57.636 56.100 0.076 0.000 0.967 100 R CB -0.576 29.774 30.300 0.083 0.000 0.861 100 R HN 0.480 nan 8.270 nan 0.000 0.442 101 W N 1.167 122.466 121.300 -0.002 0.000 2.350 101 W HA -0.176 4.484 4.660 -0.000 0.000 0.289 101 W C 0.922 177.435 176.519 -0.010 0.000 1.215 101 W CA 1.050 58.392 57.345 -0.005 0.000 1.236 101 W CB 0.058 29.518 29.460 0.000 0.000 1.130 101 W HN 0.085 nan 8.180 nan 0.000 0.541 102 L N 0.219 121.523 121.223 0.134 0.000 2.551 102 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 102 L C 1.988 178.834 176.870 -0.040 0.000 1.153 102 L CA 1.679 56.552 54.840 0.055 0.000 0.851 102 L CB -1.137 40.970 42.059 0.080 0.000 0.959 102 L HN -0.048 nan 8.230 nan 0.000 0.451 103 G N -0.943 107.809 108.800 -0.080 0.000 2.667 103 G HA2 0.291 4.251 3.960 -0.000 0.000 0.209 103 G HA3 0.291 4.251 3.960 -0.000 0.000 0.209 103 G C -2.348 172.441 174.900 -0.185 0.000 1.963 103 G CA 0.106 45.138 45.100 -0.114 0.000 0.728 103 G HN 0.088 nan 8.290 nan 0.000 0.807 104 P HA 0.338 nan 4.420 nan 0.000 0.290 104 P C -1.000 176.162 177.300 -0.229 0.000 1.275 104 P CA -0.031 62.980 63.100 -0.149 0.000 0.841 104 P CB 1.505 33.142 31.700 -0.104 0.000 1.042 105 E N 0.495 120.476 120.200 -0.365 0.000 2.252 105 E HA -0.216 4.134 4.350 -0.000 0.000 0.218 105 E C -0.057 176.216 176.600 -0.545 0.000 1.253 105 E CA 0.770 56.600 56.400 -0.949 0.000 0.705 105 E CB -1.539 27.750 29.700 -0.685 0.000 1.172 105 E HN 0.644 nan 8.360 nan 0.000 0.369 106 K N -1.981 118.304 120.400 -0.192 0.000 2.660 106 K HA 0.588 4.908 4.320 -0.000 0.000 0.285 106 K C 0.230 176.836 176.600 0.009 0.000 0.997 106 K CA -0.580 55.683 56.287 -0.039 0.000 0.861 106 K CB 1.280 33.721 32.500 -0.099 0.000 1.469 106 K HN 0.396 nan 8.250 nan 0.000 0.395 107 G N 0.599 109.392 108.800 -0.011 0.000 2.645 107 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 107 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 107 G C -0.038 174.857 174.900 -0.008 0.000 1.322 107 G CA -0.325 44.756 45.100 -0.031 0.000 0.898 107 G HN 0.689 nan 8.290 nan 0.000 0.573 113 I N 1.277 121.816 120.570 -0.051 0.000 2.226 113 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 113 I C 2.631 178.716 176.117 -0.052 0.000 1.100 113 I CA 1.629 62.894 61.300 -0.058 0.000 1.374 113 I CB -0.296 37.675 38.000 -0.047 0.000 1.057 113 I HN 0.453 nan 8.210 nan 0.000 0.413 114 G N 0.434 109.155 108.800 -0.131 0.000 2.450 114 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 114 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 114 G C 1.831 176.735 174.900 0.006 0.000 1.130 114 G CA 0.865 45.908 45.100 -0.095 0.000 0.760 114 G HN 0.501 nan 8.290 nan 0.000 0.557 115 A N 0.121 122.944 122.820 0.005 0.000 1.873 115 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 115 A C 2.599 180.230 177.584 0.078 0.000 1.186 115 A CA 1.737 53.795 52.037 0.034 0.000 0.616 115 A CB -0.611 18.407 19.000 0.029 0.000 0.823 115 A HN 0.243 nan 8.150 nan 0.000 0.442 116 V N 0.308 120.275 119.914 0.088 0.000 2.343 116 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 116 V C 2.421 178.681 176.094 0.277 0.000 1.051 116 V CA 1.964 64.354 62.300 0.150 0.000 1.036 116 V CB -0.695 31.210 31.823 0.136 0.000 0.654 116 V HN 0.558 nan 8.190 nan 0.000 0.451 117 I N 0.354 121.101 120.570 0.294 0.000 2.179 117 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 117 I C 2.434 178.840 176.117 0.481 0.000 1.088 117 I CA 1.516 63.083 61.300 0.444 0.000 1.357 117 I CB -0.530 37.673 38.000 0.338 0.000 1.051 117 I HN 0.356 nan 8.210 nan 0.000 0.409 118 N N 1.114 120.017 118.700 0.338 0.000 2.149 118 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 118 N C 1.860 177.618 175.510 0.414 0.000 1.019 118 N CA 1.650 54.947 53.050 0.411 0.000 0.857 118 N CB -0.354 38.236 38.487 0.172 0.000 0.997 118 N HN 0.372 nan 8.380 nan 0.000 0.426 119 A N 0.794 123.754 122.820 0.234 0.000 1.972 119 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 119 A C 2.345 179.982 177.584 0.089 0.000 1.169 119 A CA 1.777 53.898 52.037 0.140 0.000 0.635 119 A CB -0.629 18.395 19.000 0.040 0.000 0.810 119 A HN 0.321 nan 8.150 nan 0.000 0.446 120 A N -1.476 121.393 122.820 0.081 0.000 1.930 120 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 120 A C 1.912 179.420 177.584 -0.127 0.000 1.175 120 A CA 1.297 53.237 52.037 -0.161 0.000 0.627 120 A CB -0.776 17.980 19.000 -0.407 0.000 0.815 120 A HN 0.717 nan 8.150 nan 0.000 0.443 121 W N 0.028 121.304 121.300 -0.040 0.000 2.388 121 W HA -0.040 4.620 4.660 -0.000 0.000 0.294 121 W C 1.935 178.341 176.519 -0.188 0.000 1.212 121 W CA 1.237 58.524 57.345 -0.096 0.000 1.271 121 W CB -0.360 29.081 29.460 -0.032 0.000 1.126 121 W HN 0.514 nan 8.180 nan 0.000 0.535 122 D N 0.089 120.624 120.400 0.224 0.000 2.117 122 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 122 D C 2.160 178.441 176.300 -0.033 0.000 0.987 122 D CA 1.363 55.450 54.000 0.146 0.000 0.829 122 D CB -0.414 40.564 40.800 0.296 0.000 0.961 122 D HN 0.057 nan 8.370 nan 0.000 0.460 123 L N -0.067 121.112 121.223 -0.073 0.000 1.989 123 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 123 L C 2.323 179.041 176.870 -0.253 0.000 1.071 123 L CA 1.743 56.492 54.840 -0.152 0.000 0.749 123 L CB -0.535 41.409 42.059 -0.192 0.000 0.890 123 L HN 0.158 nan 8.230 nan 0.000 0.431 124 A N -0.541 122.048 122.820 -0.384 0.000 1.933 124 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 124 A C 2.401 179.457 177.584 -0.880 0.000 1.175 124 A CA 1.642 53.330 52.037 -0.583 0.000 0.628 124 A CB -0.715 17.869 19.000 -0.693 0.000 0.814 124 A HN 0.575 nan 8.150 nan 0.000 0.444 125 A N 0.208 122.485 122.820 -0.905 0.000 1.902 125 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 125 A C 2.236 179.621 177.584 -0.332 0.000 1.181 125 A CA 1.405 52.988 52.037 -0.757 0.000 0.623 125 A CB -0.457 18.277 19.000 -0.444 0.000 0.818 125 A HN 0.516 nan 8.150 nan 0.000 0.443 126 R N -0.097 120.276 120.500 -0.212 0.000 2.073 126 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 126 R C 2.409 178.650 176.300 -0.098 0.000 1.134 126 R CA 1.445 57.489 56.100 -0.094 0.000 0.952 126 R CB -1.157 29.125 30.300 -0.031 0.000 0.850 126 R HN 0.483 nan 8.270 nan 0.000 0.433 127 A N 1.811 124.548 122.820 -0.139 0.000 1.908 127 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 127 A C 2.357 179.900 177.584 -0.069 0.000 1.181 127 A CA 1.832 53.809 52.037 -0.101 0.000 0.627 127 A CB -0.514 18.413 19.000 -0.122 0.000 0.818 127 A HN 0.405 nan 8.150 nan 0.000 0.445 128 A N -1.402 121.365 122.820 -0.089 0.000 2.206 128 A HA 0.117 4.437 4.320 -0.000 0.000 0.211 128 A C 1.007 178.597 177.584 0.010 0.000 1.158 128 A CA 0.712 52.763 52.037 0.022 0.000 0.761 128 A CB -0.549 18.571 19.000 0.200 0.000 0.801 128 A HN 0.626 nan 8.150 nan 0.000 0.473 129 N N -0.598 118.084 118.700 -0.029 0.000 2.727 129 N HA -0.137 4.603 4.740 -0.000 0.000 0.251 129 N C -0.921 174.581 175.510 -0.014 0.000 1.040 129 N CA 1.254 54.294 53.050 -0.016 0.000 0.712 129 N CB -0.854 37.631 38.487 -0.003 0.000 0.912 129 N HN 0.706 nan 8.380 nan 0.000 0.545 130 K N 0.049 120.432 120.400 -0.028 0.000 2.508 130 K HA 0.502 4.822 4.320 -0.000 0.000 0.260 130 K C -2.656 173.905 176.600 -0.065 0.000 0.949 130 K CA -1.513 54.746 56.287 -0.045 0.000 0.834 130 K CB 2.492 34.987 32.500 -0.009 0.000 1.365 130 K HN -0.044 nan 8.250 nan 0.000 0.437 131 P HA -0.001 nan 4.420 nan 0.000 0.275 131 P C 0.584 177.836 177.300 -0.079 0.000 1.228 131 P CA -0.424 62.671 63.100 -0.008 0.000 0.786 131 P CB 0.842 32.574 31.700 0.053 0.000 0.927 132 L N 5.050 126.213 121.223 -0.100 0.000 2.021 132 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 132 L C 2.339 179.271 176.870 0.103 0.000 1.074 132 L CA 2.025 56.772 54.840 -0.154 0.000 0.760 132 L CB -1.656 39.969 42.059 -0.724 0.000 0.889 132 L HN 0.575 nan 8.230 nan 0.000 0.433 133 W N -0.380 121.098 121.300 0.297 0.000 2.325 133 W HA -0.227 4.433 4.660 -0.000 0.000 0.299 133 W C 2.095 178.697 176.519 0.138 0.000 1.215 133 W CA 1.232 58.684 57.345 0.178 0.000 1.244 133 W CB -1.241 28.302 29.460 0.138 0.000 1.140 133 W HN 0.174 nan 8.180 nan 0.000 0.523 134 R N -0.182 119.925 120.500 -0.655 0.000 2.093 134 R HA -0.092 4.248 4.340 -0.000 0.000 0.224 134 R C 2.296 178.486 176.300 -0.183 0.000 1.101 134 R CA 1.519 57.242 56.100 -0.627 0.000 0.979 134 R CB -1.013 28.714 30.300 -0.955 0.000 0.877 134 R HN 0.156 nan 8.270 nan 0.000 0.441 135 F N 1.781 121.605 119.950 -0.209 0.000 2.126 135 F HA -0.201 4.326 4.527 0.000 0.000 0.299 135 F C 1.960 177.761 175.800 0.001 0.000 1.096 135 F CA 1.432 59.379 58.000 -0.089 0.000 1.255 135 F CB -0.198 38.767 39.000 -0.058 0.000 0.997 135 F HN -0.113 nan 8.300 nan 0.000 0.479 136 I N 0.063 120.674 120.570 0.069 0.000 2.163 136 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 136 I C 2.652 178.753 176.117 -0.026 0.000 1.081 136 I CA 1.240 62.564 61.300 0.040 0.000 1.353 136 I CB -1.028 37.028 38.000 0.094 0.000 1.054 136 I HN 0.187 nan 8.210 nan 0.000 0.407 137 A N 0.200 123.034 122.820 0.024 0.000 2.070 137 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 137 A C 1.953 179.518 177.584 -0.032 0.000 1.159 137 A CA 1.409 53.465 52.037 0.033 0.000 0.656 137 A CB -0.511 18.571 19.000 0.136 0.000 0.800 137 A HN 0.497 nan 8.150 nan 0.000 0.453 138 E N -0.608 119.533 120.200 -0.098 0.000 2.474 138 E HA 0.231 4.581 4.350 -0.000 0.000 0.195 138 E C -0.375 176.130 176.600 -0.159 0.000 1.039 138 E CA -0.408 55.922 56.400 -0.116 0.000 0.881 138 E CB 0.116 29.742 29.700 -0.123 0.000 0.970 138 E HN 0.545 nan 8.360 nan 0.000 0.486 139 L N 1.803 122.908 121.223 -0.197 0.000 2.436 139 L HA 0.134 4.474 4.340 -0.000 0.000 0.265 139 L C 1.012 177.821 176.870 -0.101 0.000 1.168 139 L CA -0.514 54.206 54.840 -0.201 0.000 0.815 139 L CB 0.586 42.512 42.059 -0.221 0.000 1.109 139 L HN 0.065 nan 8.230 nan 0.000 0.462 140 T N -1.164 113.342 114.554 -0.080 0.000 2.900 140 T HA 0.123 4.473 4.350 -0.000 0.000 0.307 140 T C -1.859 172.828 174.700 -0.022 0.000 1.065 140 T CA -1.439 60.635 62.100 -0.044 0.000 1.105 140 T CB 0.998 69.844 68.868 -0.036 0.000 0.979 140 T HN 0.371 nan 8.240 nan 0.000 0.544 141 P HA -0.119 nan 4.420 nan 0.000 0.217 141 P C 1.178 178.494 177.300 0.027 0.000 1.148 141 P CA 1.127 64.233 63.100 0.011 0.000 0.834 141 P CB 0.075 31.778 31.700 0.006 0.000 0.783 142 E N -0.728 119.481 120.200 0.015 0.000 2.072 142 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 142 E C 2.140 178.761 176.600 0.035 0.000 0.982 142 E CA 1.101 57.516 56.400 0.024 0.000 0.803 142 E CB -0.795 28.910 29.700 0.008 0.000 0.755 142 E HN 0.375 nan 8.360 nan 0.000 0.453 143 Q N -0.164 119.643 119.800 0.012 0.000 2.124 143 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 143 Q C 1.860 177.888 176.000 0.047 0.000 0.977 143 Q CA 0.689 56.497 55.803 0.007 0.000 0.850 143 Q CB -0.027 28.684 28.738 -0.045 0.000 0.901 143 Q HN 0.191 nan 8.270 nan 0.000 0.429 144 L N -0.024 121.232 121.223 0.056 0.000 1.976 144 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 144 L C 2.359 179.310 176.870 0.136 0.000 1.071 144 L CA 1.426 56.327 54.840 0.102 0.000 0.746 144 L CB -1.256 40.847 42.059 0.072 0.000 0.890 144 L HN 0.124 nan 8.230 nan 0.000 0.432 145 V N 0.164 120.167 119.914 0.149 0.000 2.469 145 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 145 V C 2.138 178.396 176.094 0.274 0.000 1.064 145 V CA 1.620 64.072 62.300 0.254 0.000 1.066 145 V CB -0.566 31.407 31.823 0.250 0.000 0.667 145 V HN 0.412 nan 8.190 nan 0.000 0.461 146 D N 0.108 120.615 120.400 0.177 0.000 2.264 146 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 146 D C 2.307 178.698 176.300 0.151 0.000 0.966 146 D CA 1.765 55.858 54.000 0.155 0.000 0.864 146 D CB -0.126 40.730 40.800 0.094 0.000 0.933 146 D HN 0.665 nan 8.370 nan 0.000 0.499 147 T N -1.258 113.393 114.554 0.162 0.000 3.067 147 T HA -0.003 4.347 4.350 -0.000 0.000 0.261 147 T C 1.020 175.802 174.700 0.137 0.000 1.110 147 T CA -0.325 61.895 62.100 0.200 0.000 1.113 147 T CB -0.170 68.924 68.868 0.377 0.000 0.917 147 T HN 0.106 nan 8.240 nan 0.000 0.499 148 I N 0.883 121.469 120.570 0.027 0.000 2.440 148 I HA 0.541 4.711 4.170 -0.000 0.000 0.294 148 I C -0.733 175.222 176.117 -0.271 0.000 0.995 148 I CA -0.854 60.330 61.300 -0.193 0.000 1.306 148 I CB 1.176 38.902 38.000 -0.457 0.000 1.407 148 I HN -0.160 nan 8.210 nan 0.000 0.501 149 D N 5.522 125.786 120.400 -0.227 0.000 2.411 149 D HA 0.181 4.821 4.640 -0.000 0.000 0.225 149 D C 0.119 176.299 176.300 -0.201 0.000 1.156 149 D CA -0.039 53.891 54.000 -0.117 0.000 0.874 149 D CB 0.094 40.878 40.800 -0.026 0.000 1.034 149 D HN 0.526 nan 8.370 nan 0.000 0.502 150 F N 1.771 121.732 119.950 0.017 0.000 2.811 150 F HA 0.113 4.640 4.527 -0.000 0.000 0.301 150 F C 1.734 177.522 175.800 -0.020 0.000 1.151 150 F CA -0.195 57.814 58.000 0.015 0.000 1.412 150 F CB -0.056 38.953 39.000 0.016 0.000 1.113 150 F HN 0.165 nan 8.300 nan 0.000 0.579 151 R N 0.422 120.940 120.500 0.031 0.000 2.570 151 R HA -0.111 4.229 4.340 -0.000 0.000 0.277 151 R C -0.220 175.988 176.300 -0.154 0.000 1.039 151 R CA 0.379 56.360 56.100 -0.199 0.000 1.065 151 R CB -0.046 29.992 30.300 -0.435 0.000 0.964 151 R HN 0.330 nan 8.270 nan 0.000 0.428 152 Y N 1.231 121.578 120.300 0.078 0.000 4.907 152 Y HA -0.267 4.283 4.550 -0.000 0.000 0.246 152 Y C 0.603 176.551 175.900 0.080 0.000 0.968 152 Y CA 0.746 58.883 58.100 0.061 0.000 1.961 152 Y CB -1.803 36.678 38.460 0.036 0.000 1.487 152 Y HN 0.644 nan 8.280 nan 0.000 0.575 153 L N -0.881 120.475 121.223 0.221 0.000 2.817 153 L HA 0.117 4.457 4.340 -0.000 0.000 0.248 153 L C 2.019 179.013 176.870 0.206 0.000 1.133 153 L CA 0.797 55.765 54.840 0.213 0.000 0.935 153 L CB 0.048 42.236 42.059 0.215 0.000 1.266 153 L HN 0.265 nan 8.230 nan 0.000 0.535 154 S N -0.040 115.763 115.700 0.172 0.000 2.440 154 S HA -0.199 4.271 4.470 -0.000 0.000 0.238 154 S C 1.390 176.055 174.600 0.107 0.000 1.010 154 S CA 1.436 59.709 58.200 0.122 0.000 0.972 154 S CB -0.428 62.818 63.200 0.077 0.000 0.774 154 S HN 0.597 nan 8.310 nan 0.000 0.501 155 D N 0.931 121.406 120.400 0.124 0.000 2.349 155 D HA 0.289 4.929 4.640 -0.000 0.000 0.215 155 D C 1.308 177.693 176.300 0.142 0.000 1.016 155 D CA 0.770 54.838 54.000 0.113 0.000 0.870 155 D CB 0.022 40.886 40.800 0.108 0.000 0.917 155 D HN 0.610 nan 8.370 nan 0.000 0.524 156 A N -0.389 122.539 122.820 0.181 0.000 2.141 156 A HA 0.390 4.710 4.320 -0.000 0.000 0.196 156 A C 0.240 177.956 177.584 0.219 0.000 1.502 156 A CA -0.149 52.042 52.037 0.256 0.000 1.075 156 A CB 0.665 19.898 19.000 0.388 0.000 1.217 156 A HN 0.143 nan 8.150 nan 0.000 0.477 157 L N 1.575 122.924 121.223 0.210 0.000 2.617 157 L HA 0.453 4.793 4.340 -0.000 0.000 0.259 157 L C -0.153 176.858 176.870 0.235 0.000 0.995 157 L CA 0.163 55.131 54.840 0.213 0.000 0.899 157 L CB 1.279 43.496 42.059 0.264 0.000 1.181 157 L HN 0.290 nan 8.230 nan 0.000 0.437 158 T N 0.222 114.831 114.554 0.091 0.000 2.849 158 T HA 0.357 4.707 4.350 -0.000 0.000 0.284 158 T C 1.270 175.819 174.700 -0.252 0.000 1.004 158 T CA 0.079 62.138 62.100 -0.068 0.000 1.021 158 T CB 1.107 69.923 68.868 -0.086 0.000 1.013 158 T HN 0.750 nan 8.240 nan 0.000 0.527 159 R N 0.553 120.584 120.500 -0.782 0.000 2.148 159 R HA -0.055 4.285 4.340 -0.000 0.000 0.227 159 R C 1.275 177.405 176.300 -0.283 0.000 1.103 159 R CA 1.490 57.040 56.100 -0.917 0.000 0.983 159 R CB -0.628 28.947 30.300 -1.207 0.000 0.874 159 R HN 0.603 nan 8.270 nan 0.000 0.451 160 D N 1.135 121.412 120.400 -0.206 0.000 2.117 160 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 160 D C 1.597 177.867 176.300 -0.051 0.000 0.982 160 D CA 1.364 55.303 54.000 -0.102 0.000 0.828 160 D CB -0.095 40.654 40.800 -0.085 0.000 0.967 160 D HN 0.494 nan 8.370 nan 0.000 0.464 161 E N 0.645 120.822 120.200 -0.038 0.000 2.110 161 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 161 E C 2.070 178.691 176.600 0.035 0.000 0.988 161 E CA 0.851 57.250 56.400 -0.002 0.000 0.804 161 E CB 0.028 29.733 29.700 0.008 0.000 0.745 161 E HN 0.159 nan 8.360 nan 0.000 0.458 162 A N 1.057 123.924 122.820 0.079 0.000 1.898 162 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 162 A C 2.164 179.799 177.584 0.085 0.000 1.181 162 A CA 0.936 53.057 52.037 0.139 0.000 0.620 162 A CB -0.575 18.617 19.000 0.320 0.000 0.819 162 A HN 0.135 nan 8.150 nan 0.000 0.442 163 L N -0.750 120.504 121.223 0.051 0.000 2.046 163 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 163 L C 3.137 180.015 176.870 0.013 0.000 1.077 163 L CA 1.029 55.886 54.840 0.028 0.000 0.747 163 L CB -0.564 41.496 42.059 0.002 0.000 0.896 163 L HN 0.461 nan 8.230 nan 0.000 0.432 164 A N 0.519 123.342 122.820 0.004 0.000 1.873 164 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 164 A C 2.185 179.769 177.584 -0.000 0.000 1.193 164 A CA 1.883 53.918 52.037 -0.003 0.000 0.629 164 A CB -0.778 18.216 19.000 -0.010 0.000 0.826 164 A HN 0.362 nan 8.150 nan 0.000 0.447 165 I N -0.413 120.162 120.570 0.008 0.000 2.163 165 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 165 I C 2.407 178.526 176.117 0.003 0.000 1.085 165 I CA 1.361 62.666 61.300 0.007 0.000 1.347 165 I CB -0.387 37.624 38.000 0.020 0.000 1.044 165 I HN 0.299 nan 8.210 nan 0.000 0.408 166 L N -0.030 121.201 121.223 0.013 0.000 2.093 166 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 166 L C 2.729 179.596 176.870 -0.004 0.000 1.085 166 L CA 1.287 56.132 54.840 0.008 0.000 0.755 166 L CB -0.507 41.566 42.059 0.022 0.000 0.904 166 L HN 0.166 nan 8.230 nan 0.000 0.435 167 R N -0.169 120.329 120.500 -0.004 0.000 2.073 167 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 167 R C 1.712 178.003 176.300 -0.015 0.000 1.120 167 R CA 1.229 57.323 56.100 -0.010 0.000 0.967 167 R CB -0.193 30.102 30.300 -0.009 0.000 0.862 167 R HN 0.262 nan 8.270 nan 0.000 0.436 168 D N 0.058 120.449 120.400 -0.016 0.000 2.350 168 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 168 D C 1.161 177.444 176.300 -0.028 0.000 0.968 168 D CA 0.962 54.950 54.000 -0.020 0.000 0.894 168 D CB 0.178 40.968 40.800 -0.018 0.000 0.909 168 D HN 0.285 nan 8.370 nan 0.000 0.520 169 A N -0.158 122.644 122.820 -0.031 0.000 2.197 169 A HA 0.023 4.343 4.320 -0.000 0.000 0.210 169 A C 1.938 179.494 177.584 -0.047 0.000 1.180 169 A CA 0.071 52.079 52.037 -0.047 0.000 0.846 169 A CB -0.109 18.860 19.000 -0.052 0.000 0.884 169 A HN 0.085 nan 8.150 nan 0.000 0.487 170 Q N 0.474 120.254 119.800 -0.033 0.000 2.152 170 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 170 Q C -0.837 175.145 176.000 -0.030 0.000 0.985 170 Q CA 2.232 58.017 55.803 -0.029 0.000 0.863 170 Q CB -0.743 27.982 28.738 -0.022 0.000 0.904 170 Q HN 0.469 nan 8.270 nan 0.000 0.422 171 P HA -0.145 nan 4.420 nan 0.000 0.215 171 P C 0.472 177.754 177.300 -0.029 0.000 1.153 171 P CA 1.326 64.411 63.100 -0.026 0.000 0.853 171 P CB 0.049 31.735 31.700 -0.024 0.000 0.788 172 Q N -1.529 118.244 119.800 -0.045 0.000 2.403 172 Q HA 0.086 4.426 4.340 -0.000 0.000 0.203 172 Q C 1.860 177.823 176.000 -0.063 0.000 0.932 172 Q CA 0.363 56.133 55.803 -0.056 0.000 0.945 172 Q CB -0.441 28.249 28.738 -0.081 0.000 1.045 172 Q HN 0.146 nan 8.270 nan 0.000 0.511 173 R N 0.242 120.713 120.500 -0.049 0.000 2.105 173 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 173 R C 2.026 178.331 176.300 0.009 0.000 1.135 173 R CA 1.522 57.604 56.100 -0.030 0.000 0.967 173 R CB -0.390 29.899 30.300 -0.017 0.000 0.861 173 R HN 0.331 nan 8.270 nan 0.000 0.442 174 A N 0.658 123.484 122.820 0.009 0.000 1.877 174 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 174 A C 2.311 179.921 177.584 0.044 0.000 1.186 174 A CA 1.663 53.718 52.037 0.030 0.000 0.620 174 A CB -0.773 18.237 19.000 0.017 0.000 0.822 174 A HN 0.412 nan 8.150 nan 0.000 0.443 175 A N 0.067 122.902 122.820 0.024 0.000 1.845 175 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 175 A C 2.218 179.840 177.584 0.063 0.000 1.195 175 A CA 1.513 53.570 52.037 0.033 0.000 0.616 175 A CB -0.560 18.446 19.000 0.011 0.000 0.832 175 A HN 0.542 nan 8.150 nan 0.000 0.443 176 R N -0.784 119.727 120.500 0.018 0.000 2.117 176 R HA -0.116 4.224 4.340 -0.000 0.000 0.243 176 R C 2.223 178.673 176.300 0.249 0.000 1.143 176 R CA 1.805 57.935 56.100 0.050 0.000 0.968 176 R CB -0.987 29.089 30.300 -0.373 0.000 0.863 176 R HN 0.537 nan 8.270 nan 0.000 0.444 177 T N 0.996 115.672 114.554 0.203 0.000 2.684 177 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 177 T C 1.994 176.850 174.700 0.260 0.000 1.036 177 T CA 1.560 63.847 62.100 0.312 0.000 1.148 177 T CB -0.247 68.782 68.868 0.268 0.000 0.863 177 T HN 0.431 nan 8.240 nan 0.000 0.436 178 A N 1.321 124.245 122.820 0.173 0.000 1.873 178 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 178 A C 2.576 180.225 177.584 0.109 0.000 1.186 178 A CA 2.095 54.209 52.037 0.128 0.000 0.616 178 A CB -1.323 17.730 19.000 0.088 0.000 0.823 178 A HN 0.476 nan 8.150 nan 0.000 0.442 179 T N 0.458 115.086 114.554 0.124 0.000 2.665 179 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 179 T C 1.845 176.564 174.700 0.032 0.000 1.035 179 T CA 1.447 63.603 62.100 0.094 0.000 1.151 179 T CB -0.438 68.531 68.868 0.169 0.000 0.862 179 T HN 0.353 nan 8.240 nan 0.000 0.438 180 L N 0.510 121.773 121.223 0.067 0.000 2.017 180 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 180 L C 2.388 179.202 176.870 -0.093 0.000 1.073 180 L CA 1.704 56.484 54.840 -0.100 0.000 0.745 180 L CB -0.406 41.583 42.059 -0.118 0.000 0.894 180 L HN 0.314 nan 8.230 nan 0.000 0.432 181 I N -0.359 120.221 120.570 0.016 0.000 2.454 181 I HA -0.298 3.872 4.170 -0.000 0.000 0.254 181 I C 2.456 178.585 176.117 0.020 0.000 1.156 181 I CA 1.253 62.587 61.300 0.057 0.000 1.433 181 I CB -0.213 37.884 38.000 0.162 0.000 1.082 181 I HN 0.451 nan 8.210 nan 0.000 0.432 182 E N 0.659 120.863 120.200 0.007 0.000 2.127 182 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 182 E C 1.934 178.510 176.600 -0.041 0.000 0.964 182 E CA 0.576 56.971 56.400 -0.008 0.000 0.832 182 E CB 0.236 29.937 29.700 0.001 0.000 0.790 182 E HN 0.537 nan 8.360 nan 0.000 0.465 183 Q N -0.273 119.486 119.800 -0.068 0.000 2.396 183 Q HA 0.225 4.565 4.340 -0.000 0.000 0.209 183 Q C 0.628 176.553 176.000 -0.124 0.000 0.906 183 Q CA 0.287 56.031 55.803 -0.098 0.000 0.927 183 Q CB 1.427 30.095 28.738 -0.116 0.000 1.069 183 Q HN 0.300 nan 8.270 nan 0.000 0.523 184 G N 1.012 109.730 108.800 -0.137 0.000 2.828 184 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.463 184 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.463 184 G C -1.419 173.387 174.900 -0.156 0.000 1.394 184 G CA -0.596 44.429 45.100 -0.125 0.000 0.862 184 G HN 0.208 nan 8.290 nan 0.000 0.540 185 Y N 1.190 121.368 120.300 -0.203 0.000 2.352 185 Y HA 0.606 5.156 4.550 -0.000 0.000 0.339 185 Y C -1.943 173.908 175.900 -0.082 0.000 0.992 185 Y CA -2.168 55.801 58.100 -0.217 0.000 1.100 185 Y CB 2.015 40.323 38.460 -0.254 0.000 1.192 185 Y HN 0.478 nan 8.280 nan 0.000 0.458 186 P HA 0.173 nan 4.420 nan 0.000 0.264 186 P C -1.325 176.178 177.300 0.339 0.000 1.183 186 P CA 0.468 63.635 63.100 0.111 0.000 0.763 186 P CB 0.622 32.315 31.700 -0.012 0.000 0.807 187 A N 3.311 126.300 122.820 0.283 0.000 2.430 187 A HA 0.833 5.153 4.320 -0.000 0.000 0.300 187 A C -1.510 176.412 177.584 0.562 0.000 1.124 187 A CA -0.524 51.756 52.037 0.406 0.000 0.766 187 A CB 1.173 20.279 19.000 0.176 0.000 1.328 187 A HN 0.608 nan 8.150 nan 0.000 0.424 188 Y N -1.021 119.565 120.300 0.476 0.000 2.562 188 Y HA 0.760 5.310 4.550 -0.000 0.000 0.345 188 Y C -0.290 175.677 175.900 0.112 0.000 1.045 188 Y CA -0.562 57.756 58.100 0.364 0.000 1.028 188 Y CB 1.356 40.019 38.460 0.337 0.000 1.297 188 Y HN 0.716 nan 8.280 nan 0.000 0.463 189 T N -0.480 113.981 114.554 -0.155 0.000 2.895 189 T HA 0.488 4.838 4.350 -0.000 0.000 0.283 189 T C 0.000 174.585 174.700 -0.192 0.000 1.014 189 T CA -0.625 61.242 62.100 -0.390 0.000 1.037 189 T CB 1.747 70.122 68.868 -0.822 0.000 1.006 189 T HN 0.782 nan 8.240 nan 0.000 0.468 190 T N 0.464 114.837 114.554 -0.301 0.000 3.004 190 T HA 0.147 4.497 4.350 -0.000 0.000 0.266 190 T C 2.063 176.351 174.700 -0.686 0.000 0.986 190 T CA -0.185 61.645 62.100 -0.450 0.000 0.902 190 T CB 0.069 68.629 68.868 -0.514 0.000 1.118 190 T HN 0.557 nan 8.240 nan 0.000 0.522 191 S N 2.732 118.209 115.700 -0.371 0.000 2.383 191 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 191 S C -0.288 174.229 174.600 -0.140 0.000 1.030 191 S CA 1.193 59.315 58.200 -0.130 0.000 1.002 191 S CB -0.725 62.492 63.200 0.028 0.000 0.829 191 S HN 0.552 nan 8.310 nan 0.000 0.467 192 P HA 0.156 nan 4.420 nan 0.000 0.245 192 P C 0.998 178.209 177.300 -0.147 0.000 1.206 192 P CA 0.732 63.763 63.100 -0.115 0.000 0.781 192 P CB -0.153 31.482 31.700 -0.109 0.000 0.994 193 G N -1.102 107.514 108.800 -0.306 0.000 3.088 193 G HA2 0.050 4.010 3.960 -0.000 0.000 0.217 193 G HA3 0.050 4.010 3.960 -0.000 0.000 0.217 193 G C 0.213 175.002 174.900 -0.184 0.000 1.159 193 G CA -0.415 44.528 45.100 -0.261 0.000 0.760 193 G HN 0.144 nan 8.290 nan 0.000 0.550 200 E N 0.519 120.717 120.200 -0.003 0.000 2.318 200 E HA 0.107 4.457 4.350 -0.000 0.000 0.193 200 E C 1.754 178.353 176.600 -0.003 0.000 0.998 200 E CA 0.486 56.883 56.400 -0.005 0.000 0.859 200 E CB 0.186 29.885 29.700 -0.001 0.000 0.812 200 E HN 0.180 nan 8.360 nan 0.000 0.492 201 K N 0.560 120.962 120.400 0.003 0.000 2.097 201 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 201 K C 1.944 178.542 176.600 -0.002 0.000 1.050 201 K CA 0.840 57.131 56.287 0.007 0.000 0.938 201 K CB -0.139 32.373 32.500 0.019 0.000 0.718 201 K HN 0.203 nan 8.250 nan 0.000 0.442 202 L N 1.452 122.669 121.223 -0.010 0.000 1.956 202 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 202 L C 2.330 179.181 176.870 -0.032 0.000 1.073 202 L CA 2.306 57.130 54.840 -0.027 0.000 0.762 202 L CB -1.008 41.028 42.059 -0.037 0.000 0.889 202 L HN 0.182 nan 8.230 nan 0.000 0.433 203 V N -1.614 118.282 119.914 -0.030 0.000 2.332 203 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 203 V C 2.755 178.840 176.094 -0.016 0.000 1.055 203 V CA 2.038 64.321 62.300 -0.027 0.000 1.038 203 V CB -1.097 30.710 31.823 -0.026 0.000 0.651 203 V HN 0.510 nan 8.190 nan 0.000 0.450 204 R N -0.311 120.184 120.500 -0.009 0.000 2.082 204 R HA -0.112 4.228 4.340 -0.000 0.000 0.228 204 R C 2.324 178.624 176.300 0.001 0.000 1.140 204 R CA 2.092 58.191 56.100 -0.001 0.000 0.920 204 R CB -0.511 29.792 30.300 0.004 0.000 0.828 204 R HN 0.431 nan 8.270 nan 0.000 0.430 205 L N 0.952 122.175 121.223 -0.001 0.000 2.081 205 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 205 L C 2.466 179.328 176.870 -0.013 0.000 1.080 205 L CA 2.073 56.912 54.840 -0.002 0.000 0.754 205 L CB -1.124 40.932 42.059 -0.006 0.000 0.893 205 L HN 0.418 nan 8.230 nan 0.000 0.433 206 A N -1.010 121.797 122.820 -0.022 0.000 1.902 206 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 206 A C 2.378 179.962 177.584 -0.001 0.000 1.181 206 A CA 1.726 53.748 52.037 -0.025 0.000 0.623 206 A CB -0.368 18.611 19.000 -0.035 0.000 0.818 206 A HN 0.389 nan 8.150 nan 0.000 0.443 207 K N -0.257 120.145 120.400 0.003 0.000 2.057 207 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 207 K C 1.981 178.596 176.600 0.026 0.000 1.049 207 K CA 1.572 57.867 56.287 0.014 0.000 0.931 207 K CB -0.179 32.327 32.500 0.010 0.000 0.714 207 K HN 0.620 nan 8.250 nan 0.000 0.440 208 E N 0.592 120.809 120.200 0.028 0.000 2.077 208 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 208 E C 2.108 178.753 176.600 0.075 0.000 0.989 208 E CA 1.010 57.435 56.400 0.042 0.000 0.800 208 E CB -0.149 29.575 29.700 0.040 0.000 0.746 208 E HN 0.326 nan 8.360 nan 0.000 0.452 209 A N 1.185 124.052 122.820 0.077 0.000 1.865 209 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 209 A C 2.561 180.271 177.584 0.211 0.000 1.191 209 A CA 1.551 53.683 52.037 0.158 0.000 0.623 209 A CB -0.883 18.126 19.000 0.016 0.000 0.826 209 A HN 0.129 nan 8.150 nan 0.000 0.444 210 V N -0.190 119.786 119.914 0.104 0.000 2.343 210 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 210 V C 3.046 179.153 176.094 0.022 0.000 1.051 210 V CA 2.018 64.361 62.300 0.070 0.000 1.036 210 V CB -1.251 30.599 31.823 0.045 0.000 0.654 210 V HN 0.638 nan 8.190 nan 0.000 0.451 211 A N -0.391 122.444 122.820 0.024 0.000 1.972 211 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 211 A C 1.854 179.401 177.584 -0.061 0.000 1.169 211 A CA 1.851 53.892 52.037 0.007 0.000 0.635 211 A CB -0.503 18.512 19.000 0.025 0.000 0.810 211 A HN 0.544 nan 8.150 nan 0.000 0.446 212 D N -1.440 118.916 120.400 -0.073 0.000 2.363 212 D HA 0.220 4.860 4.640 -0.000 0.000 0.226 212 D C 1.442 177.326 176.300 -0.693 0.000 1.020 212 D CA 1.209 55.077 54.000 -0.220 0.000 0.892 212 D CB 0.155 40.957 40.800 0.003 0.000 0.900 212 D HN 0.618 nan 8.370 nan 0.000 0.531 213 G N 0.148 108.567 108.800 -0.635 0.000 2.195 213 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.224 213 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.224 213 G C 0.211 174.858 174.900 -0.421 0.000 0.990 213 G CA -0.552 44.066 45.100 -0.804 0.000 0.639 213 G HN 0.254 nan 8.290 nan 0.000 0.514 214 F N 1.668 121.520 119.950 -0.163 0.000 2.543 214 F HA 0.413 4.940 4.527 -0.000 0.000 0.375 214 F C 1.820 177.619 175.800 -0.000 0.000 1.075 214 F CA -0.192 57.779 58.000 -0.048 0.000 1.225 214 F CB 0.714 39.712 39.000 -0.004 0.000 1.099 214 F HN -0.121 nan 8.300 nan 0.000 0.561 215 R N 1.203 121.826 120.500 0.205 0.000 2.317 215 R HA 0.178 4.518 4.340 -0.000 0.000 0.208 215 R C -0.227 176.179 176.300 0.176 0.000 0.914 215 R CA 0.243 56.434 56.100 0.151 0.000 1.060 215 R CB -0.019 30.350 30.300 0.114 0.000 1.015 215 R HN 0.528 nan 8.270 nan 0.000 0.498 216 T N 0.525 115.225 114.554 0.243 0.000 2.956 216 T HA 0.521 4.871 4.350 -0.000 0.000 0.312 216 T C -0.777 174.011 174.700 0.146 0.000 1.151 216 T CA -0.469 61.735 62.100 0.173 0.000 1.024 216 T CB 2.437 71.442 68.868 0.228 0.000 1.140 216 T HN 0.016 nan 8.240 nan 0.000 0.473 217 I N 1.354 121.915 120.570 -0.016 0.000 2.969 217 I HA 0.752 4.922 4.170 -0.000 0.000 0.307 217 I C -1.723 174.274 176.117 -0.200 0.000 1.149 217 I CA -1.011 60.254 61.300 -0.058 0.000 1.008 217 I CB 2.273 40.229 38.000 -0.074 0.000 1.232 217 I HN 0.523 nan 8.210 nan 0.000 0.435 218 K N 6.556 126.848 120.400 -0.181 0.000 2.482 218 K HA 0.603 4.923 4.320 -0.000 0.000 0.251 218 K C -1.987 174.466 176.600 -0.244 0.000 0.936 218 K CA -0.643 55.475 56.287 -0.281 0.000 0.791 218 K CB 1.858 34.215 32.500 -0.239 0.000 1.213 218 K HN 0.587 nan 8.250 nan 0.000 0.428 219 L N 3.073 124.161 121.223 -0.226 0.000 2.330 219 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 219 L C -0.079 176.708 176.870 -0.139 0.000 1.013 219 L CA -1.347 53.392 54.840 -0.168 0.000 0.816 219 L CB 1.481 43.470 42.059 -0.116 0.000 1.287 219 L HN 0.426 nan 8.230 nan 0.000 0.435 220 K N 1.975 122.316 120.400 -0.098 0.000 2.174 220 K HA 0.640 4.960 4.320 -0.000 0.000 0.275 220 K C -0.312 176.288 176.600 -0.001 0.000 1.015 220 K CA -0.289 55.964 56.287 -0.057 0.000 0.933 220 K CB 2.224 34.722 32.500 -0.003 0.000 1.025 220 K HN 0.527 nan 8.250 nan 0.000 0.463 221 V N -3.103 116.810 119.914 -0.001 0.000 3.112 221 V HA 0.853 4.973 4.120 -0.000 0.000 0.310 221 V C 0.562 176.671 176.094 0.025 0.000 1.364 221 V CA -0.026 62.352 62.300 0.129 0.000 1.058 221 V CB 1.351 33.331 31.823 0.261 0.000 1.079 221 V HN 0.812 nan 8.190 nan 0.000 0.463 222 G N -1.061 107.880 108.800 0.235 0.000 2.231 222 G HA2 0.004 3.964 3.960 -0.000 0.000 0.206 222 G HA3 0.004 3.964 3.960 -0.000 0.000 0.206 222 G C 0.784 175.779 174.900 0.159 0.000 0.996 222 G CA 1.008 45.977 45.100 -0.219 0.000 0.645 222 G HN 1.963 nan 8.290 nan 0.000 0.498 223 A N -0.431 122.670 122.820 0.468 0.000 1.924 223 A HA 0.517 4.837 4.320 -0.000 0.000 0.211 223 A C 0.927 178.850 177.584 0.565 0.000 1.198 223 A CA 1.597 53.895 52.037 0.435 0.000 0.657 223 A CB 0.135 19.272 19.000 0.227 0.000 0.852 223 A HN 0.737 nan 8.150 nan 0.000 0.454 224 N N -0.181 118.818 118.700 0.498 0.000 2.478 224 N HA 0.255 4.995 4.740 -0.000 0.000 0.291 224 N C 0.672 176.131 175.510 -0.084 0.000 1.090 224 N CA 0.141 53.272 53.050 0.135 0.000 0.911 224 N CB 2.156 40.694 38.487 0.085 0.000 1.546 224 N HN -0.078 nan 8.380 nan 0.000 0.500 225 V N 2.983 122.532 119.914 -0.609 0.000 2.252 225 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 225 V C 2.211 178.151 176.094 -0.256 0.000 1.056 225 V CA 1.550 63.420 62.300 -0.716 0.000 1.022 225 V CB -0.773 30.566 31.823 -0.806 0.000 0.641 225 V HN 0.598 nan 8.190 nan 0.000 0.445 226 Q N 0.645 120.338 119.800 -0.179 0.000 2.062 226 Q HA -0.226 4.114 4.340 -0.000 0.000 0.209 226 Q C 2.043 178.024 176.000 -0.031 0.000 0.996 226 Q CA 2.337 58.092 55.803 -0.081 0.000 0.859 226 Q CB -0.898 27.802 28.738 -0.063 0.000 0.920 226 Q HN 0.705 nan 8.270 nan 0.000 0.415 227 D N 0.146 120.541 120.400 -0.009 0.000 2.104 227 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 227 D C 1.407 177.726 176.300 0.033 0.000 0.994 227 D CA 1.359 55.372 54.000 0.021 0.000 0.830 227 D CB -0.335 40.501 40.800 0.058 0.000 0.959 227 D HN 0.255 nan 8.370 nan 0.000 0.452 228 D N 0.214 120.669 120.400 0.092 0.000 2.123 228 D HA -0.103 4.537 4.640 -0.000 0.000 0.196 228 D C 2.326 178.676 176.300 0.084 0.000 0.992 228 D CA 0.423 54.512 54.000 0.147 0.000 0.833 228 D CB -0.327 40.684 40.800 0.351 0.000 0.954 228 D HN 0.281 nan 8.370 nan 0.000 0.455 229 I N 0.497 121.129 120.570 0.102 0.000 2.179 229 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 229 I C 2.649 178.705 176.117 -0.101 0.000 1.088 229 I CA 1.027 62.471 61.300 0.241 0.000 1.357 229 I CB -0.202 37.926 38.000 0.214 0.000 1.051 229 I HN -0.050 nan 8.210 nan 0.000 0.409 230 R N 1.229 121.677 120.500 -0.087 0.000 2.070 230 R HA -0.168 4.172 4.340 -0.000 0.000 0.233 230 R C 2.495 178.639 176.300 -0.259 0.000 1.137 230 R CA 1.557 57.566 56.100 -0.152 0.000 0.945 230 R CB -0.151 30.108 30.300 -0.067 0.000 0.845 230 R HN 0.204 nan 8.270 nan 0.000 0.430 231 R N -0.470 119.917 120.500 -0.188 0.000 2.096 231 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 231 R C 2.473 178.597 176.300 -0.294 0.000 1.127 231 R CA 1.695 57.688 56.100 -0.178 0.000 0.968 231 R CB -0.417 29.834 30.300 -0.082 0.000 0.861 231 R HN 0.332 nan 8.270 nan 0.000 0.440 232 C N -0.308 118.726 119.300 -0.445 0.000 2.440 232 C HA -0.008 4.452 4.460 -0.000 0.000 0.278 232 C C 2.641 177.038 174.990 -0.988 0.000 1.295 232 C CA 0.313 58.993 59.018 -0.564 0.000 1.738 232 C CB -0.761 26.802 27.740 -0.296 0.000 1.987 232 C HN 0.470 nan 8.230 nan 0.000 0.492 233 R N 0.717 120.236 120.500 -1.636 0.000 2.062 233 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 233 R C 2.152 178.247 176.300 -0.341 0.000 1.136 233 R CA 1.400 56.913 56.100 -0.978 0.000 0.948 233 R CB -0.390 29.599 30.300 -0.518 0.000 0.845 233 R HN 0.464 nan 8.270 nan 0.000 0.430 234 L N 0.404 121.454 121.223 -0.289 0.000 2.043 234 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 234 L C 2.736 179.534 176.870 -0.120 0.000 1.075 234 L CA 1.561 56.311 54.840 -0.150 0.000 0.752 234 L CB -0.664 41.320 42.059 -0.125 0.000 0.891 234 L HN 0.356 nan 8.230 nan 0.000 0.432 235 A N 0.150 122.879 122.820 -0.152 0.000 1.873 235 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 235 A C 2.348 179.892 177.584 -0.066 0.000 1.186 235 A CA 1.623 53.598 52.037 -0.102 0.000 0.616 235 A CB -0.476 18.455 19.000 -0.115 0.000 0.823 235 A HN 0.301 nan 8.150 nan 0.000 0.442 236 R N 0.555 121.017 120.500 -0.063 0.000 2.096 236 R HA -0.101 4.239 4.340 -0.000 0.000 0.240 236 R C 2.010 178.317 176.300 0.011 0.000 1.139 236 R CA 2.309 58.412 56.100 0.006 0.000 0.952 236 R CB -1.005 29.348 30.300 0.088 0.000 0.854 236 R HN 0.390 nan 8.270 nan 0.000 0.436 237 A N -0.262 122.558 122.820 0.001 0.000 1.968 237 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 237 A C 2.144 179.726 177.584 -0.003 0.000 1.169 237 A CA 1.238 53.279 52.037 0.007 0.000 0.638 237 A CB -0.616 18.388 19.000 0.006 0.000 0.812 237 A HN 0.461 nan 8.150 nan 0.000 0.446 238 A N -1.579 121.231 122.820 -0.017 0.000 2.238 238 A HA 0.337 4.657 4.320 -0.000 0.000 0.208 238 A C 1.609 179.189 177.584 -0.007 0.000 1.177 238 A CA 0.980 53.008 52.037 -0.015 0.000 0.804 238 A CB -0.281 18.703 19.000 -0.026 0.000 0.823 238 A HN 0.412 nan 8.150 nan 0.000 0.482 239 I N -2.602 117.966 120.570 -0.004 0.000 4.312 239 I HA 0.388 4.558 4.170 -0.000 0.000 0.324 239 I C 0.981 177.106 176.117 0.014 0.000 1.298 239 I CA 1.304 62.606 61.300 0.004 0.000 1.231 239 I CB 0.645 38.643 38.000 -0.004 0.000 1.152 239 I HN 0.458 nan 8.210 nan 0.000 0.421 240 G N 1.448 110.257 108.800 0.015 0.000 2.661 240 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.685 240 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.685 240 G C -2.434 172.481 174.900 0.025 0.000 1.298 240 G CA -0.185 44.927 45.100 0.020 0.000 0.855 240 G HN -0.003 nan 8.290 nan 0.000 0.560 241 P HA 0.258 nan 4.420 nan 0.000 0.262 241 P C -0.068 177.251 177.300 0.031 0.000 1.304 241 P CA 0.620 63.738 63.100 0.030 0.000 0.859 241 P CB 0.494 32.211 31.700 0.028 0.000 1.310 242 D N -0.609 119.810 120.400 0.031 0.000 2.431 242 D HA 0.166 4.806 4.640 -0.000 0.000 0.213 242 D C 0.435 176.760 176.300 0.041 0.000 1.130 242 D CA 0.068 54.089 54.000 0.035 0.000 0.834 242 D CB 0.695 41.515 40.800 0.032 0.000 0.985 242 D HN 0.132 nan 8.370 nan 0.000 0.504 243 I N 1.493 122.085 120.570 0.038 0.000 2.359 243 I HA 0.443 4.613 4.170 -0.000 0.000 0.294 243 I C 0.876 177.012 176.117 0.032 0.000 0.987 243 I CA -1.088 60.238 61.300 0.043 0.000 1.225 243 I CB 1.083 39.105 38.000 0.037 0.000 1.366 243 I HN -0.179 nan 8.210 nan 0.000 0.466 247 V N 1.210 120.809 119.914 -0.525 0.000 2.789 247 V HA 0.638 4.758 4.120 -0.000 0.000 0.311 247 V C -1.439 174.529 176.094 -0.210 0.000 1.073 247 V CA -0.461 61.686 62.300 -0.255 0.000 0.921 247 V CB 2.083 33.856 31.823 -0.083 0.000 1.009 247 V HN 0.907 nan 8.190 nan 0.000 0.426 248 D N 2.727 123.037 120.400 -0.150 0.000 2.492 248 D HA 0.621 5.261 4.640 -0.000 0.000 0.248 248 D C 0.294 176.470 176.300 -0.206 0.000 1.101 248 D CA -0.187 53.742 54.000 -0.118 0.000 0.840 248 D CB 2.398 43.153 40.800 -0.075 0.000 1.209 248 D HN 0.589 nan 8.370 nan 0.000 0.524 249 A N 3.616 126.227 122.820 -0.347 0.000 2.308 249 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 249 A C 0.765 177.973 177.584 -0.626 0.000 1.216 249 A CA -0.142 51.446 52.037 -0.747 0.000 0.864 249 A CB -0.198 17.814 19.000 -1.647 0.000 0.902 249 A HN 0.737 nan 8.150 nan 0.000 0.499 250 N N 0.508 118.994 118.700 -0.357 0.000 2.705 250 N HA -0.243 4.497 4.740 -0.000 0.000 0.255 250 N C -0.289 175.041 175.510 -0.300 0.000 1.008 250 N CA 1.236 54.125 53.050 -0.269 0.000 0.742 250 N CB -1.375 36.999 38.487 -0.189 0.000 0.906 250 N HN 0.790 nan 8.380 nan 0.000 0.541 251 Q N -3.315 116.305 119.800 -0.301 0.000 2.406 251 Q HA -0.330 4.010 4.340 -0.000 0.000 0.236 251 Q C 1.236 177.063 176.000 -0.288 0.000 0.799 251 Q CA 1.743 57.408 55.803 -0.230 0.000 1.286 251 Q CB -1.091 27.564 28.738 -0.138 0.000 1.615 251 Q HN 0.588 nan 8.270 nan 0.000 0.621 252 R N 0.268 120.461 120.500 -0.512 0.000 2.081 252 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 252 R C 0.489 176.597 176.300 -0.320 0.000 1.131 252 R CA 1.548 57.333 56.100 -0.525 0.000 0.960 252 R CB 0.220 30.001 30.300 -0.866 0.000 0.856 252 R HN 0.269 nan 8.270 nan 0.000 0.436 253 W N 0.925 122.108 121.300 -0.196 0.000 2.253 253 W HA 0.275 4.935 4.660 -0.000 0.000 0.348 253 W C 0.008 176.462 176.519 -0.109 0.000 1.229 253 W CA -1.091 56.159 57.345 -0.158 0.000 1.335 253 W CB -0.153 29.184 29.460 -0.206 0.000 1.165 253 W HN -0.003 nan 8.180 nan 0.000 0.631 254 D N -0.699 119.813 120.400 0.187 0.000 2.432 254 D HA 0.194 4.834 4.640 -0.000 0.000 0.258 254 D C 1.290 177.628 176.300 0.064 0.000 1.146 254 D CA -0.499 53.550 54.000 0.082 0.000 1.015 254 D CB 1.449 42.286 40.800 0.062 0.000 1.107 254 D HN -0.094 nan 8.370 nan 0.000 0.529 255 V N 0.666 120.591 119.914 0.018 0.000 2.255 255 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 255 V C 2.203 178.293 176.094 -0.007 0.000 1.051 255 V CA 2.463 64.760 62.300 -0.004 0.000 1.018 255 V CB -0.864 30.951 31.823 -0.013 0.000 0.641 255 V HN 0.733 nan 8.190 nan 0.000 0.445 256 G N 0.295 109.094 108.800 -0.002 0.000 2.453 256 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.215 256 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.215 256 G C -0.189 174.694 174.900 -0.029 0.000 1.201 256 G CA 1.143 46.236 45.100 -0.012 0.000 0.784 256 G HN 0.499 nan 8.290 nan 0.000 0.545 257 P HA -0.061 nan 4.420 nan 0.000 0.216 257 P C 2.207 179.380 177.300 -0.212 0.000 1.150 257 P CA 1.975 65.049 63.100 -0.043 0.000 0.837 257 P CB -0.144 31.582 31.700 0.044 0.000 0.786 258 A N -0.855 121.841 122.820 -0.207 0.000 1.940 258 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 258 A C 2.187 179.601 177.584 -0.284 0.000 1.176 258 A CA 1.518 53.332 52.037 -0.371 0.000 0.631 258 A CB -1.587 17.453 19.000 0.066 0.000 0.814 258 A HN 0.125 nan 8.150 nan 0.000 0.446 259 I N -0.317 120.175 120.570 -0.130 0.000 2.202 259 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 259 I C 1.907 177.970 176.117 -0.089 0.000 1.091 259 I CA 1.455 62.705 61.300 -0.083 0.000 1.368 259 I CB -0.479 37.494 38.000 -0.046 0.000 1.058 259 I HN 0.228 nan 8.210 nan 0.000 0.410 260 D N 0.041 120.387 120.400 -0.090 0.000 2.123 260 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 260 D C 0.871 177.115 176.300 -0.093 0.000 0.992 260 D CA 0.712 54.662 54.000 -0.084 0.000 0.833 260 D CB -0.188 40.566 40.800 -0.077 0.000 0.954 260 D HN 0.253 nan 8.370 nan 0.000 0.455 264 Q N 0.699 120.461 119.800 -0.063 0.000 2.424 264 Q HA 0.213 4.553 4.340 -0.000 0.000 0.204 264 Q C 1.554 177.524 176.000 -0.049 0.000 0.933 264 Q CA 0.723 56.475 55.803 -0.084 0.000 0.929 264 Q CB 0.502 29.168 28.738 -0.119 0.000 1.037 264 Q HN 0.272 nan 8.270 nan 0.000 0.511 265 L N -0.850 120.388 121.223 0.025 0.000 2.590 265 L HA 0.244 4.584 4.340 -0.000 0.000 0.227 265 L C 2.159 179.022 176.870 -0.012 0.000 1.099 265 L CA 0.092 55.011 54.840 0.131 0.000 0.872 265 L CB -0.169 42.047 42.059 0.261 0.000 1.088 265 L HN 0.105 nan 8.230 nan 0.000 0.479 266 A N 1.718 124.492 122.820 -0.076 0.000 1.948 266 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 266 A C 2.178 179.660 177.584 -0.170 0.000 1.177 266 A CA 2.181 54.166 52.037 -0.086 0.000 0.636 266 A CB -0.490 18.466 19.000 -0.073 0.000 0.815 266 A HN 0.658 nan 8.150 nan 0.000 0.449 267 E N -0.958 119.021 120.200 -0.368 0.000 2.209 267 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 267 E C 1.149 177.526 176.600 -0.373 0.000 0.993 267 E CA 1.177 57.317 56.400 -0.435 0.000 0.819 267 E CB -0.557 28.776 29.700 -0.612 0.000 0.745 267 E HN 0.713 nan 8.360 nan 0.000 0.477 268 F N 1.487 121.433 119.950 -0.007 0.000 2.769 268 F HA 0.119 4.646 4.527 -0.000 0.000 0.304 268 F C 0.007 175.797 175.800 -0.017 0.000 1.158 268 F CA -0.048 57.946 58.000 -0.012 0.000 1.398 268 F CB -0.022 38.971 39.000 -0.012 0.000 1.094 268 F HN -0.122 nan 8.300 nan 0.000 0.553 269 D N 1.983 122.431 120.400 0.080 0.000 3.620 269 D HA -0.183 4.457 4.640 -0.000 0.000 0.237 269 D C -0.663 175.662 176.300 0.040 0.000 1.111 269 D CA 0.179 54.208 54.000 0.048 0.000 1.070 269 D CB -0.568 40.260 40.800 0.048 0.000 0.891 269 D HN -0.023 nan 8.370 nan 0.000 0.412 270 I N 2.235 122.822 120.570 0.028 0.000 2.352 270 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 270 I C 1.965 178.070 176.117 -0.020 0.000 1.036 270 I CA -0.050 61.245 61.300 -0.009 0.000 1.336 270 I CB 0.453 38.462 38.000 0.015 0.000 1.407 270 I HN 0.430 nan 8.210 nan 0.000 0.497 271 A N 7.258 130.020 122.820 -0.096 0.000 1.930 271 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 271 A C 0.377 178.052 177.584 0.152 0.000 1.175 271 A CA 1.088 53.116 52.037 -0.015 0.000 0.627 271 A CB -0.091 18.828 19.000 -0.134 0.000 0.815 271 A HN 0.865 nan 8.150 nan 0.000 0.443 272 W N -3.843 117.386 121.300 -0.117 0.000 3.370 272 W HA 0.490 5.150 4.660 -0.000 0.000 0.304 272 W C -1.981 174.499 176.519 -0.066 0.000 1.161 272 W CA -1.616 55.664 57.345 -0.108 0.000 1.132 272 W CB -0.216 29.123 29.460 -0.202 0.000 1.377 272 W HN 0.162 nan 8.180 nan 0.000 0.568 273 I N 2.880 123.588 120.570 0.231 0.000 2.330 273 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 273 I C -0.219 176.082 176.117 0.306 0.000 1.001 273 I CA -0.781 60.617 61.300 0.163 0.000 1.193 273 I CB 1.206 39.319 38.000 0.189 0.000 1.345 273 I HN 0.563 nan 8.210 nan 0.000 0.461 274 E N 6.441 126.794 120.200 0.255 0.000 2.283 274 E HA 0.192 4.542 4.350 -0.000 0.000 0.278 274 E C -0.492 176.164 176.600 0.094 0.000 1.027 274 E CA -0.248 56.310 56.400 0.262 0.000 0.843 274 E CB 0.537 30.422 29.700 0.309 0.000 1.062 274 E HN 0.644 nan 8.360 nan 0.000 0.401 275 E N 3.235 123.507 120.200 0.119 0.000 2.160 275 E HA -0.180 4.170 4.350 -0.000 0.000 0.180 275 E C -1.842 174.748 176.600 -0.018 0.000 1.452 275 E CA 0.102 56.566 56.400 0.106 0.000 0.683 275 E CB -0.468 29.211 29.700 -0.035 0.000 1.072 275 E HN 0.560 nan 8.360 nan 0.000 0.332 276 P HA -0.133 nan 4.420 nan 0.000 0.221 276 P C 0.757 177.995 177.300 -0.103 0.000 1.150 276 P CA 1.213 64.305 63.100 -0.013 0.000 0.800 276 P CB 0.498 32.313 31.700 0.192 0.000 0.787 277 T N -1.970 112.456 114.554 -0.213 0.000 2.618 277 T HA 0.331 4.681 4.350 -0.000 0.000 0.286 277 T C -0.825 173.844 174.700 -0.051 0.000 1.027 277 T CA -0.491 61.506 62.100 -0.172 0.000 1.063 277 T CB 1.010 69.742 68.868 -0.227 0.000 1.440 277 T HN -0.166 nan 8.240 nan 0.000 0.505 278 S N 1.887 117.575 115.700 -0.020 0.000 2.561 278 S HA 0.103 4.573 4.470 -0.000 0.000 0.294 278 S C -1.418 173.261 174.600 0.131 0.000 1.294 278 S CA -0.551 57.669 58.200 0.033 0.000 1.055 278 S CB 0.518 63.725 63.200 0.013 0.000 0.819 278 S HN 0.536 nan 8.310 nan 0.000 0.503 279 P HA 0.081 nan 4.420 nan 0.000 0.242 279 P C -0.057 177.219 177.300 -0.040 0.000 1.197 279 P CA 0.496 63.608 63.100 0.020 0.000 0.765 279 P CB 0.122 31.838 31.700 0.026 0.000 0.936 280 D N -0.986 119.410 120.400 -0.007 0.000 2.417 280 D HA 0.003 4.643 4.640 -0.000 0.000 0.207 280 D C 0.307 176.600 176.300 -0.011 0.000 1.075 280 D CA 0.432 54.408 54.000 -0.039 0.000 0.851 280 D CB -0.077 40.700 40.800 -0.039 0.000 0.976 280 D HN 0.067 nan 8.370 nan 0.000 0.505 281 D N 1.398 121.832 120.400 0.057 0.000 2.517 281 D HA 0.048 4.688 4.640 -0.000 0.000 0.220 281 D C 1.440 177.829 176.300 0.149 0.000 1.158 281 D CA -0.148 53.901 54.000 0.081 0.000 0.992 281 D CB 0.859 41.695 40.800 0.060 0.000 1.058 281 D HN -0.209 nan 8.370 nan 0.000 0.516 282 V N 3.619 123.560 119.914 0.044 0.000 2.295 282 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 282 V C 2.529 178.656 176.094 0.054 0.000 1.049 282 V CA 1.277 63.589 62.300 0.021 0.000 1.024 282 V CB -0.347 31.454 31.823 -0.038 0.000 0.648 282 V HN 0.575 nan 8.190 nan 0.000 0.447 283 L N 0.336 121.578 121.223 0.032 0.000 2.083 283 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 283 L C 2.656 179.547 176.870 0.036 0.000 1.083 283 L CA 1.681 56.538 54.840 0.027 0.000 0.752 283 L CB -1.326 40.740 42.059 0.012 0.000 0.899 283 L HN 0.480 nan 8.230 nan 0.000 0.433 284 G N -1.088 107.733 108.800 0.036 0.000 2.421 284 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 284 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 284 G C 1.413 176.299 174.900 -0.024 0.000 1.171 284 G CA 0.413 45.509 45.100 -0.005 0.000 0.775 284 G HN 0.381 nan 8.290 nan 0.000 0.543 285 H N 0.643 119.714 119.070 0.001 0.000 2.387 285 H HA -0.020 4.535 4.556 -0.000 0.000 0.299 285 H C 2.942 178.278 175.328 0.013 0.000 1.090 285 H CA 1.198 57.251 56.048 0.009 0.000 1.332 285 H CB -0.060 29.697 29.762 -0.009 0.000 1.386 285 H HN 0.409 nan 8.280 nan 0.000 0.516 286 A N 1.086 123.977 122.820 0.118 0.000 1.898 286 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 286 A C 2.684 180.295 177.584 0.046 0.000 1.181 286 A CA 1.432 53.510 52.037 0.069 0.000 0.620 286 A CB -0.660 18.369 19.000 0.048 0.000 0.819 286 A HN 0.424 nan 8.150 nan 0.000 0.442 287 A N -0.000 122.838 122.820 0.031 0.000 1.898 287 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 287 A C 2.112 179.703 177.584 0.012 0.000 1.181 287 A CA 1.453 53.499 52.037 0.016 0.000 0.620 287 A CB -0.586 18.418 19.000 0.006 0.000 0.819 287 A HN 0.491 nan 8.150 nan 0.000 0.442 288 I N -1.022 119.552 120.570 0.006 0.000 2.179 288 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 288 I C 2.723 178.858 176.117 0.029 0.000 1.088 288 I CA 1.700 63.003 61.300 0.006 0.000 1.357 288 I CB -0.371 37.622 38.000 -0.012 0.000 1.051 288 I HN 0.373 nan 8.210 nan 0.000 0.409 289 R N 0.959 121.488 120.500 0.049 0.000 2.091 289 R HA -0.249 4.091 4.340 -0.000 0.000 0.238 289 R C 2.291 178.615 176.300 0.041 0.000 1.136 289 R CA 1.898 58.033 56.100 0.057 0.000 0.959 289 R CB -0.169 30.173 30.300 0.069 0.000 0.856 289 R HN 0.430 nan 8.270 nan 0.000 0.437 290 Q N -1.236 118.583 119.800 0.033 0.000 2.119 290 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 290 Q C 1.984 177.993 176.000 0.016 0.000 0.972 290 Q CA 1.470 57.287 55.803 0.024 0.000 0.847 290 Q CB -0.061 28.690 28.738 0.022 0.000 0.903 290 Q HN 0.550 nan 8.270 nan 0.000 0.433 291 G N 1.014 109.820 108.800 0.011 0.000 2.464 291 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 291 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 291 G C 1.294 176.194 174.900 -0.000 0.000 1.138 291 G CA 0.485 45.586 45.100 0.002 0.000 0.793 291 G HN 0.491 nan 8.290 nan 0.000 0.539 292 I N -1.298 119.277 120.570 0.009 0.000 3.914 292 I HA 0.329 4.499 4.170 -0.000 0.000 0.333 292 I C 0.646 176.773 176.117 0.017 0.000 1.449 292 I CA -0.454 60.852 61.300 0.009 0.000 1.135 292 I CB 0.140 38.150 38.000 0.017 0.000 1.073 292 I HN -0.130 nan 8.210 nan 0.000 0.401 293 T N 3.803 118.368 114.554 0.018 0.000 2.946 293 T HA 0.131 4.481 4.350 -0.000 0.000 0.312 293 T C -0.910 173.798 174.700 0.013 0.000 1.066 293 T CA -0.540 61.574 62.100 0.022 0.000 1.138 293 T CB 0.526 69.406 68.868 0.021 0.000 1.014 293 T HN 0.377 nan 8.240 nan 0.000 0.544 294 P HA 0.195 nan 4.420 nan 0.000 0.253 294 P C -0.308 177.015 177.300 0.039 0.000 1.459 294 P CA -0.231 62.886 63.100 0.028 0.000 0.908 294 P CB -0.065 31.649 31.700 0.024 0.000 1.470 295 V N 2.995 122.932 119.914 0.039 0.000 2.446 295 V HA 0.095 4.215 4.120 -0.000 0.000 0.276 295 V C -1.977 174.165 176.094 0.079 0.000 1.030 295 V CA -1.166 61.167 62.300 0.056 0.000 1.033 295 V CB -0.004 31.851 31.823 0.053 0.000 0.993 295 V HN 0.112 nan 8.190 nan 0.000 0.477 296 P HA 0.187 nan 4.420 nan 0.000 0.268 296 P C -0.644 176.748 177.300 0.154 0.000 1.205 296 P CA 0.075 63.245 63.100 0.117 0.000 0.771 296 P CB 0.672 32.452 31.700 0.134 0.000 0.858 297 V N 2.353 122.341 119.914 0.124 0.000 2.628 297 V HA 0.665 4.785 4.120 -0.000 0.000 0.306 297 V C 0.154 176.302 176.094 0.090 0.000 1.045 297 V CA -0.216 62.174 62.300 0.150 0.000 0.905 297 V CB 1.841 33.755 31.823 0.151 0.000 0.997 297 V HN 0.756 nan 8.190 nan 0.000 0.436 298 S N 2.704 118.471 115.700 0.110 0.000 2.651 298 S HA 0.916 5.386 4.470 -0.000 0.000 0.279 298 S C -0.772 173.836 174.600 0.013 0.000 1.148 298 S CA -0.227 57.961 58.200 -0.022 0.000 0.837 298 S CB 2.494 65.538 63.200 -0.260 0.000 1.138 298 S HN 1.058 nan 8.310 nan 0.000 0.478 299 T N -1.330 113.182 114.554 -0.070 0.000 2.722 299 T HA 0.643 4.993 4.350 -0.000 0.000 0.314 299 T C 0.286 174.945 174.700 -0.069 0.000 1.675 299 T CA 0.477 62.506 62.100 -0.118 0.000 1.003 299 T CB 0.620 69.242 68.868 -0.410 0.000 1.602 299 T HN 2.206 nan 8.240 nan 0.000 0.496 300 G N 1.201 109.955 108.800 -0.075 0.000 3.382 300 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.214 300 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.214 300 G C 0.775 175.737 174.900 0.105 0.000 1.025 300 G CA 0.972 46.107 45.100 0.058 0.000 0.869 300 G HN 0.938 nan 8.290 nan 0.000 0.458 301 E N 0.047 120.249 120.200 0.004 0.000 2.265 301 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 301 E C 1.512 178.178 176.600 0.110 0.000 0.996 301 E CA 1.342 57.694 56.400 -0.081 0.000 0.832 301 E CB -0.181 29.187 29.700 -0.553 0.000 0.756 301 E HN 0.483 nan 8.360 nan 0.000 0.491 302 H N 0.048 119.045 119.070 -0.122 0.000 2.893 302 H HA 0.235 4.791 4.556 -0.000 0.000 0.270 302 H C -0.348 174.904 175.328 -0.127 0.000 1.095 302 H CA -0.206 55.779 56.048 -0.104 0.000 1.186 302 H CB 0.697 30.398 29.762 -0.102 0.000 1.562 302 H HN -0.025 nan 8.280 nan 0.000 0.536 303 T N 1.882 116.378 114.554 -0.098 0.000 2.829 303 T HA -0.058 4.292 4.350 -0.000 0.000 0.293 303 T C 1.329 175.943 174.700 -0.143 0.000 0.970 303 T CA 0.176 62.084 62.100 -0.322 0.000 1.168 303 T CB 0.839 69.111 68.868 -0.993 0.000 0.911 303 T HN 0.424 nan 8.240 nan 0.000 0.535 304 Q N 2.758 122.486 119.800 -0.120 0.000 2.062 304 Q HA -0.171 4.169 4.340 -0.000 0.000 0.209 304 Q C 0.757 176.805 176.000 0.081 0.000 0.996 304 Q CA 1.755 57.542 55.803 -0.026 0.000 0.859 304 Q CB -0.063 28.633 28.738 -0.071 0.000 0.920 304 Q HN 0.899 nan 8.270 nan 0.000 0.415 305 N N -2.943 115.796 118.700 0.066 0.000 3.179 305 N HA 0.094 4.834 4.740 -0.000 0.000 0.250 305 N C -0.226 175.439 175.510 0.259 0.000 1.507 305 N CA -0.714 52.441 53.050 0.176 0.000 0.883 305 N CB 0.289 38.820 38.487 0.075 0.000 1.435 305 N HN -0.038 nan 8.380 nan 0.000 0.532 306 R N -0.575 120.076 120.500 0.252 0.000 2.193 306 R HA -0.009 4.331 4.340 -0.000 0.000 0.229 306 R C 0.322 176.733 176.300 0.186 0.000 1.110 306 R CA 1.490 57.738 56.100 0.246 0.000 0.988 306 R CB -0.829 29.541 30.300 0.116 0.000 0.871 306 R HN 0.331 nan 8.270 nan 0.000 0.458 307 V N 1.104 121.087 119.914 0.115 0.000 2.548 307 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 307 V C 2.411 178.506 176.094 0.000 0.000 1.055 307 V CA 1.155 63.489 62.300 0.057 0.000 1.065 307 V CB 0.093 31.915 31.823 -0.002 0.000 0.681 307 V HN 0.156 nan 8.190 nan 0.000 0.462 308 V N -0.900 118.988 119.914 -0.042 0.000 2.453 308 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 308 V C 2.150 178.155 176.094 -0.148 0.000 1.048 308 V CA 1.743 63.962 62.300 -0.136 0.000 1.049 308 V CB -0.716 30.972 31.823 -0.224 0.000 0.672 308 V HN 0.421 nan 8.190 nan 0.000 0.457 309 F N 0.788 120.692 119.950 -0.077 0.000 2.102 309 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 309 F C 2.535 178.246 175.800 -0.148 0.000 1.105 309 F CA 2.190 60.129 58.000 -0.102 0.000 1.239 309 F CB -0.276 38.680 39.000 -0.073 0.000 0.991 309 F HN 0.017 nan 8.300 nan 0.000 0.474 310 K N 0.469 120.919 120.400 0.083 0.000 2.044 310 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 310 K C 1.964 178.487 176.600 -0.129 0.000 1.049 310 K CA 2.034 58.297 56.287 -0.040 0.000 0.927 310 K CB -0.279 32.246 32.500 0.042 0.000 0.713 310 K HN 0.358 nan 8.250 nan 0.000 0.443 311 Q N -0.021 119.733 119.800 -0.077 0.000 2.119 311 Q HA -0.132 4.208 4.340 -0.000 0.000 0.201 311 Q C 2.107 178.040 176.000 -0.112 0.000 0.972 311 Q CA 0.862 56.615 55.803 -0.084 0.000 0.847 311 Q CB 0.010 28.707 28.738 -0.067 0.000 0.903 311 Q HN 0.209 nan 8.270 nan 0.000 0.433 312 L N 0.142 121.289 121.223 -0.127 0.000 2.012 312 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 312 L C 2.056 178.839 176.870 -0.145 0.000 1.073 312 L CA 1.562 56.327 54.840 -0.125 0.000 0.748 312 L CB -0.966 41.014 42.059 -0.133 0.000 0.891 312 L HN 0.263 nan 8.230 nan 0.000 0.431 313 L N -0.973 120.092 121.223 -0.262 0.000 2.027 313 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 313 L C 2.608 179.212 176.870 -0.443 0.000 1.074 313 L CA 1.473 56.014 54.840 -0.498 0.000 0.745 313 L CB -1.156 40.249 42.059 -1.091 0.000 0.898 313 L HN 0.384 nan 8.230 nan 0.000 0.433 314 Q N -1.118 118.467 119.800 -0.359 0.000 2.084 314 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 314 Q C 2.022 178.029 176.000 0.012 0.000 0.978 314 Q CA 1.653 57.419 55.803 -0.062 0.000 0.844 314 Q CB -0.216 28.518 28.738 -0.007 0.000 0.898 314 Q HN 0.537 nan 8.270 nan 0.000 0.426 315 A N -0.055 122.750 122.820 -0.024 0.000 2.208 315 A HA 0.265 4.585 4.320 -0.000 0.000 0.209 315 A C 1.305 178.901 177.584 0.020 0.000 1.161 315 A CA 0.652 52.694 52.037 0.007 0.000 0.782 315 A CB -0.310 18.689 19.000 -0.001 0.000 0.816 315 A HN 0.436 nan 8.150 nan 0.000 0.477 316 G N -1.366 107.441 108.800 0.013 0.000 2.295 316 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.287 316 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.287 316 G C 0.733 175.651 174.900 0.031 0.000 1.055 316 G CA 0.419 45.539 45.100 0.035 0.000 0.922 316 G HN 1.419 nan 8.290 nan 0.000 0.503 317 A N -1.376 121.452 122.820 0.014 0.000 2.275 317 A HA 0.627 4.947 4.320 -0.000 0.000 0.212 317 A C 1.178 178.788 177.584 0.043 0.000 1.201 317 A CA 1.448 53.509 52.037 0.040 0.000 0.843 317 A CB 0.212 19.233 19.000 0.034 0.000 0.873 317 A HN 1.990 nan 8.150 nan 0.000 0.492 318 V N -4.425 115.501 119.914 0.020 0.000 3.049 318 V HA 0.586 4.706 4.120 -0.000 0.000 0.309 318 V C -0.497 175.612 176.094 0.024 0.000 1.148 318 V CA -0.577 61.733 62.300 0.016 0.000 0.990 318 V CB 1.724 33.538 31.823 -0.017 0.000 1.039 318 V HN 0.122 nan 8.190 nan 0.000 0.430 319 D N 1.871 122.281 120.400 0.017 0.000 2.338 319 D HA 0.401 5.041 4.640 -0.000 0.000 0.208 319 D C 0.172 176.472 176.300 -0.001 0.000 0.997 319 D CA 1.195 55.209 54.000 0.022 0.000 0.880 319 D CB 0.522 41.342 40.800 0.033 0.000 0.980 319 D HN 0.715 nan 8.370 nan 0.000 0.509 320 L N -2.588 118.598 121.223 -0.062 0.000 2.600 320 L HA 0.634 4.974 4.340 -0.000 0.000 0.257 320 L C -1.528 175.282 176.870 -0.101 0.000 1.048 320 L CA -1.122 53.668 54.840 -0.084 0.000 0.869 320 L CB 1.766 43.686 42.059 -0.232 0.000 1.482 320 L HN -0.285 nan 8.230 nan 0.000 0.408 321 I N 0.342 120.890 120.570 -0.036 0.000 2.769 321 I HA 0.502 4.672 4.170 -0.000 0.000 0.298 321 I C -0.723 175.426 176.117 0.053 0.000 1.128 321 I CA -0.399 60.914 61.300 0.022 0.000 1.031 321 I CB 2.429 40.492 38.000 0.106 0.000 1.235 321 I HN 0.737 nan 8.210 nan 0.000 0.423 322 Q N 3.872 123.734 119.800 0.103 0.000 2.212 322 Q HA 0.675 5.015 4.340 -0.000 0.000 0.238 322 Q C -1.177 174.933 176.000 0.183 0.000 0.955 322 Q CA -0.085 55.809 55.803 0.152 0.000 0.906 322 Q CB 1.813 30.654 28.738 0.171 0.000 1.215 322 Q HN 0.433 nan 8.270 nan 0.000 0.478 323 I N 0.160 120.820 120.570 0.151 0.000 2.802 323 I HA 0.325 4.495 4.170 -0.000 0.000 0.298 323 I C -1.561 174.642 176.117 0.144 0.000 1.176 323 I CA -0.557 60.795 61.300 0.087 0.000 1.025 323 I CB 2.243 40.214 38.000 -0.049 0.000 1.243 323 I HN 0.537 nan 8.210 nan 0.000 0.424 324 D N 4.040 124.527 120.400 0.144 0.000 2.787 324 D HA 0.421 5.061 4.640 -0.000 0.000 0.246 324 D C 0.277 176.637 176.300 0.099 0.000 1.150 324 D CA -0.285 53.812 54.000 0.161 0.000 0.864 324 D CB 2.579 43.492 40.800 0.187 0.000 1.481 324 D HN 0.633 nan 8.370 nan 0.000 0.509 325 A N 2.808 125.674 122.820 0.078 0.000 1.969 325 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 325 A C 1.589 179.185 177.584 0.019 0.000 1.169 325 A CA 1.839 53.902 52.037 0.043 0.000 0.635 325 A CB -0.038 18.964 19.000 0.004 0.000 0.810 325 A HN 0.550 nan 8.150 nan 0.000 0.445 326 A N -1.497 121.348 122.820 0.042 0.000 2.431 326 A HA 0.337 4.657 4.320 -0.000 0.000 0.239 326 A C 1.820 179.421 177.584 0.028 0.000 1.230 326 A CA 0.740 52.795 52.037 0.031 0.000 0.928 326 A CB -0.093 18.946 19.000 0.065 0.000 1.006 326 A HN 0.344 nan 8.150 nan 0.000 0.520 327 R N -0.510 120.021 120.500 0.052 0.000 2.153 327 R HA 0.149 4.489 4.340 -0.000 0.000 0.218 327 R C 0.789 177.104 176.300 0.024 0.000 1.072 327 R CA 1.589 57.709 56.100 0.034 0.000 0.990 327 R CB -0.552 29.790 30.300 0.069 0.000 0.889 327 R HN 0.254 nan 8.270 nan 0.000 0.452 328 V N -1.605 118.324 119.914 0.024 0.000 3.815 328 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 328 V C 0.472 176.432 176.094 -0.224 0.000 1.266 328 V CA -0.395 61.915 62.300 0.017 0.000 0.923 328 V CB 1.292 33.193 31.823 0.129 0.000 1.267 328 V HN 0.254 nan 8.190 nan 0.000 0.461 329 G N 0.038 108.719 108.800 -0.198 0.000 3.471 329 G HA2 0.504 4.464 3.960 -0.000 0.000 0.254 329 G HA3 0.504 4.464 3.960 -0.000 0.000 0.254 329 G C 0.568 175.425 174.900 -0.071 0.000 1.199 329 G CA 0.730 45.650 45.100 -0.299 0.000 1.683 329 G HN 1.693 nan 8.290 nan 0.000 0.625 330 G N -0.742 108.023 108.800 -0.058 0.000 2.698 330 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.233 330 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.233 330 G C 1.025 175.881 174.900 -0.073 0.000 1.352 330 G CA -0.317 44.783 45.100 -0.000 0.000 0.879 330 G HN 0.653 nan 8.290 nan 0.000 0.567 331 V N 0.558 120.333 119.914 -0.232 0.000 2.282 331 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 331 V C 2.797 178.651 176.094 -0.401 0.000 1.057 331 V CA 3.174 65.138 62.300 -0.560 0.000 1.032 331 V CB -1.047 29.815 31.823 -1.600 0.000 0.645 331 V HN 0.728 nan 8.190 nan 0.000 0.447 332 N N 0.251 118.852 118.700 -0.165 0.000 2.060 332 N HA -0.254 4.486 4.740 -0.000 0.000 0.195 332 N C 1.884 177.374 175.510 -0.034 0.000 1.028 332 N CA 1.965 55.039 53.050 0.040 0.000 0.861 332 N CB -0.309 38.304 38.487 0.209 0.000 1.029 332 N HN 0.664 nan 8.380 nan 0.000 0.428 333 E N 0.017 120.205 120.200 -0.020 0.000 2.107 333 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 333 E C 1.272 177.833 176.600 -0.066 0.000 0.982 333 E CA 0.675 57.068 56.400 -0.012 0.000 0.809 333 E CB 0.094 29.831 29.700 0.061 0.000 0.756 333 E HN 0.305 nan 8.360 nan 0.000 0.459 334 N N 0.360 119.001 118.700 -0.098 0.000 2.244 334 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 334 N C 1.882 177.301 175.510 -0.152 0.000 1.016 334 N CA 0.715 53.685 53.050 -0.135 0.000 0.866 334 N CB -0.067 38.350 38.487 -0.116 0.000 0.980 334 N HN 0.243 nan 8.380 nan 0.000 0.430 335 L N 0.759 121.891 121.223 -0.151 0.000 2.017 335 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 335 L C 2.481 179.288 176.870 -0.104 0.000 1.073 335 L CA 1.171 55.937 54.840 -0.123 0.000 0.745 335 L CB -0.530 41.462 42.059 -0.112 0.000 0.894 335 L HN 0.101 nan 8.230 nan 0.000 0.432 336 A N 0.398 123.145 122.820 -0.121 0.000 1.883 336 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 336 A C 2.192 179.718 177.584 -0.098 0.000 1.186 336 A CA 1.712 53.673 52.037 -0.126 0.000 0.624 336 A CB -0.714 18.196 19.000 -0.151 0.000 0.822 336 A HN 0.363 nan 8.150 nan 0.000 0.444 337 I N -0.470 120.009 120.570 -0.152 0.000 2.226 337 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 337 I C 2.393 178.382 176.117 -0.214 0.000 1.100 337 I CA 1.089 62.229 61.300 -0.265 0.000 1.374 337 I CB -0.342 37.329 38.000 -0.549 0.000 1.057 337 I HN 0.286 nan 8.210 nan 0.000 0.413 338 L N 0.086 121.210 121.223 -0.166 0.000 2.046 338 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 338 L C 2.526 179.374 176.870 -0.036 0.000 1.077 338 L CA 1.376 56.156 54.840 -0.100 0.000 0.747 338 L CB -0.443 41.569 42.059 -0.078 0.000 0.896 338 L HN 0.272 nan 8.230 nan 0.000 0.432 339 L N -1.205 120.006 121.223 -0.020 0.000 2.056 339 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 339 L C 2.485 179.404 176.870 0.081 0.000 1.078 339 L CA 0.623 55.483 54.840 0.033 0.000 0.749 339 L CB -0.385 41.702 42.059 0.047 0.000 0.901 339 L HN 0.232 nan 8.230 nan 0.000 0.433 340 L N -0.097 121.174 121.223 0.079 0.000 1.989 340 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 340 L C 2.868 179.878 176.870 0.234 0.000 1.071 340 L CA 2.247 57.197 54.840 0.184 0.000 0.749 340 L CB -1.684 40.429 42.059 0.090 0.000 0.890 340 L HN 0.233 nan 8.230 nan 0.000 0.431 341 A N -0.518 122.353 122.820 0.085 0.000 1.883 341 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 341 A C 2.508 180.168 177.584 0.128 0.000 1.186 341 A CA 2.158 54.246 52.037 0.086 0.000 0.624 341 A CB -0.795 18.203 19.000 -0.004 0.000 0.822 341 A HN 0.437 nan 8.150 nan 0.000 0.444 342 A N -0.198 122.675 122.820 0.089 0.000 1.858 342 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 342 A C 2.149 179.781 177.584 0.080 0.000 1.190 342 A CA 2.191 54.270 52.037 0.071 0.000 0.617 342 A CB -0.538 18.488 19.000 0.044 0.000 0.827 342 A HN 0.582 nan 8.150 nan 0.000 0.443 343 K N -1.598 118.861 120.400 0.098 0.000 2.103 343 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 343 K C 1.249 177.814 176.600 -0.058 0.000 1.048 343 K CA 1.714 58.009 56.287 0.014 0.000 0.930 343 K CB -0.292 32.210 32.500 0.003 0.000 0.716 343 K HN 0.397 nan 8.250 nan 0.000 0.444 344 F N 0.221 120.188 119.950 0.028 0.000 2.797 344 F HA 0.219 4.746 4.527 0.000 0.000 0.302 344 F C 1.251 177.068 175.800 0.029 0.000 1.130 344 F CA 0.738 58.757 58.000 0.031 0.000 1.387 344 F CB 0.533 39.556 39.000 0.037 0.000 1.107 344 F HN 0.287 nan 8.300 nan 0.000 0.577 345 G N 1.438 110.332 108.800 0.157 0.000 2.246 345 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.273 345 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.273 345 G C -0.153 174.815 174.900 0.113 0.000 1.055 345 G CA 0.278 45.442 45.100 0.105 0.000 0.851 345 G HN 0.597 nan 8.290 nan 0.000 0.500 346 V N -2.318 117.670 119.914 0.123 0.000 2.495 346 V HA 0.852 4.972 4.120 -0.000 0.000 0.298 346 V C 0.569 176.713 176.094 0.082 0.000 1.031 346 V CA -1.584 60.774 62.300 0.098 0.000 0.871 346 V CB 1.297 33.173 31.823 0.089 0.000 0.988 346 V HN 0.439 nan 8.190 nan 0.000 0.432 347 R N 3.008 123.565 120.500 0.094 0.000 2.738 347 R HA 0.595 4.935 4.340 -0.000 0.000 0.268 347 R C -0.256 176.111 176.300 0.113 0.000 1.062 347 R CA 0.134 56.295 56.100 0.102 0.000 1.158 347 R CB 1.409 31.818 30.300 0.182 0.000 1.046 347 R HN 0.997 nan 8.270 nan 0.000 0.493 348 V N 1.309 121.259 119.914 0.060 0.000 2.531 348 V HA 0.497 4.617 4.120 -0.000 0.000 0.301 348 V C -1.431 174.688 176.094 0.042 0.000 1.034 348 V CA -0.742 61.602 62.300 0.073 0.000 0.865 348 V CB 1.290 33.110 31.823 -0.005 0.000 0.995 348 V HN 0.549 nan 8.190 nan 0.000 0.424 349 F N 6.603 126.495 119.950 -0.097 0.000 2.311 349 F HA 0.616 5.143 4.527 -0.000 0.000 0.371 349 F C -2.193 173.645 175.800 0.065 0.000 1.083 349 F CA -2.579 55.409 58.000 -0.020 0.000 1.113 349 F CB 1.489 40.365 39.000 -0.207 0.000 1.349 349 F HN 0.381 nan 8.300 nan 0.000 0.470 350 P HA -0.074 nan 4.420 nan 0.000 0.264 350 P C -0.554 176.867 177.300 0.201 0.000 1.183 350 P CA 0.359 63.529 63.100 0.117 0.000 0.763 350 P CB 0.290 31.968 31.700 -0.037 0.000 0.807 351 H N 2.508 121.643 119.070 0.108 0.000 2.511 351 H HA 0.644 5.200 4.556 -0.000 0.000 0.346 351 H C -0.274 175.070 175.328 0.026 0.000 1.128 351 H CA -0.143 55.971 56.048 0.109 0.000 1.342 351 H CB 0.588 30.418 29.762 0.113 0.000 1.470 351 H HN 0.487 nan 8.280 nan 0.000 0.546 352 A N 2.526 124.949 122.820 -0.662 0.000 3.136 352 A HA 0.784 5.104 4.320 -0.000 0.000 0.299 352 A C 0.432 177.641 177.584 -0.624 0.000 1.197 352 A CA -0.235 51.502 52.037 -0.500 0.000 0.640 352 A CB 0.297 19.165 19.000 -0.220 0.000 1.440 352 A HN 1.625 nan 8.150 nan 0.000 0.614 353 G N -1.845 106.709 108.800 -0.410 0.000 2.484 353 G HA2 0.467 4.427 3.960 -0.000 0.000 0.225 353 G HA3 0.467 4.427 3.960 -0.000 0.000 0.225 353 G C 1.502 176.006 174.900 -0.660 0.000 1.250 353 G CA 0.987 45.841 45.100 -0.410 0.000 0.926 353 G HN 2.910 nan 8.290 nan 0.000 0.581 354 G N -1.694 106.552 108.800 -0.924 0.000 2.627 354 G HA2 0.058 4.018 3.960 -0.000 0.000 0.312 354 G HA3 0.058 4.018 3.960 -0.000 0.000 0.312 354 G C 0.467 174.732 174.900 -1.059 0.000 1.299 354 G CA 1.713 45.702 45.100 -1.851 0.000 0.989 354 G HN 2.084 nan 8.290 nan 0.000 0.547 355 V N 1.269 120.587 119.914 -0.992 0.000 2.311 355 V HA 0.578 4.698 4.120 -0.000 0.000 0.275 355 V C 1.428 177.495 176.094 -0.046 0.000 1.022 355 V CA 0.923 63.134 62.300 -0.148 0.000 0.830 355 V CB 0.043 32.041 31.823 0.292 0.000 1.012 355 V HN 2.643 nan 8.190 nan 0.000 0.452 356 G N 4.233 112.960 108.800 -0.121 0.000 2.196 356 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.268 356 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.268 356 G C 0.683 175.364 174.900 -0.366 0.000 0.975 356 G CA 0.550 45.324 45.100 -0.545 0.000 0.648 356 G HN 0.564 nan 8.290 nan 0.000 0.538 357 L N 0.380 121.416 121.223 -0.312 0.000 2.079 357 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 357 L C 3.082 179.843 176.870 -0.180 0.000 1.081 357 L CA 2.252 56.943 54.840 -0.247 0.000 0.752 357 L CB -1.212 40.648 42.059 -0.332 0.000 0.896 357 L HN 0.541 nan 8.230 nan 0.000 0.433 358 C N -0.954 118.265 119.300 -0.135 0.000 2.453 358 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 358 C C 2.593 177.558 174.990 -0.041 0.000 1.262 358 C CA 0.345 59.363 59.018 -0.001 0.000 1.718 358 C CB -0.718 27.180 27.740 0.264 0.000 2.031 358 C HN 0.490 nan 8.230 nan 0.000 0.480 359 E N 0.979 121.118 120.200 -0.101 0.000 2.118 359 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 359 E C 2.009 178.637 176.600 0.047 0.000 0.992 359 E CA 1.126 57.469 56.400 -0.096 0.000 0.804 359 E CB -0.307 29.174 29.700 -0.365 0.000 0.741 359 E HN 0.602 nan 8.360 nan 0.000 0.458 360 L N -0.773 120.430 121.223 -0.035 0.000 2.022 360 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 360 L C 2.336 179.364 176.870 0.263 0.000 1.076 360 L CA 0.574 55.453 54.840 0.064 0.000 0.749 360 L CB -0.680 41.228 42.059 -0.253 0.000 0.903 360 L HN 0.026 nan 8.230 nan 0.000 0.439 361 V N 0.936 120.876 119.914 0.043 0.000 2.688 361 V HA -0.290 3.830 4.120 -0.000 0.000 0.256 361 V C 2.635 178.647 176.094 -0.137 0.000 1.084 361 V CA 2.064 64.358 62.300 -0.010 0.000 1.103 361 V CB -0.523 31.258 31.823 -0.070 0.000 0.688 361 V HN 0.673 nan 8.190 nan 0.000 0.480 362 Q N -1.160 118.488 119.800 -0.252 0.000 2.124 362 Q HA -0.293 4.047 4.340 -0.000 0.000 0.202 362 Q C 1.890 177.666 176.000 -0.373 0.000 0.977 362 Q CA 2.452 57.940 55.803 -0.524 0.000 0.850 362 Q CB -0.645 27.705 28.738 -0.647 0.000 0.901 362 Q HN 0.746 nan 8.270 nan 0.000 0.429 363 H N 0.828 119.861 119.070 -0.061 0.000 2.389 363 H HA 0.000 4.556 4.556 -0.000 0.000 0.299 363 H C 2.026 177.349 175.328 -0.009 0.000 1.081 363 H CA 1.734 57.811 56.048 0.048 0.000 1.345 363 H CB 0.010 29.817 29.762 0.076 0.000 1.393 363 H HN 0.139 nan 8.280 nan 0.000 0.520 364 L N 0.026 121.287 121.223 0.064 0.000 2.056 364 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 364 L C 1.741 178.571 176.870 -0.066 0.000 1.078 364 L CA 0.323 55.153 54.840 -0.017 0.000 0.749 364 L CB -0.520 41.524 42.059 -0.025 0.000 0.901 364 L HN 0.249 nan 8.230 nan 0.000 0.433 368 D N -0.366 120.106 120.400 0.121 0.000 2.117 368 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 368 D C 1.631 178.015 176.300 0.141 0.000 0.987 368 D CA 2.024 56.083 54.000 0.098 0.000 0.829 368 D CB -0.210 40.635 40.800 0.076 0.000 0.961 368 D HN 0.453 nan 8.370 nan 0.000 0.460 369 F N 0.268 120.273 119.950 0.090 0.000 2.102 369 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 369 F C 1.986 177.818 175.800 0.054 0.000 1.105 369 F CA 1.348 59.389 58.000 0.069 0.000 1.239 369 F CB -0.281 38.774 39.000 0.092 0.000 0.991 369 F HN -0.088 nan 8.300 nan 0.000 0.474 370 V N 0.402 120.305 119.914 -0.019 0.000 2.244 370 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 370 V C 2.495 178.530 176.094 -0.098 0.000 1.042 370 V CA 2.012 64.252 62.300 -0.100 0.000 1.006 370 V CB -1.300 30.642 31.823 0.198 0.000 0.641 370 V HN 0.470 nan 8.190 nan 0.000 0.446 371 A N -1.749 121.065 122.820 -0.009 0.000 2.267 371 A HA 0.291 4.611 4.320 -0.000 0.000 0.213 371 A C 1.907 179.476 177.584 -0.025 0.000 1.192 371 A CA 0.957 52.985 52.037 -0.016 0.000 0.851 371 A CB 0.035 19.043 19.000 0.013 0.000 0.881 371 A HN 0.586 nan 8.150 nan 0.000 0.494 372 I N -2.638 117.915 120.570 -0.028 0.000 4.193 372 I HA 0.031 4.201 4.170 -0.000 0.000 0.287 372 I C 1.858 177.958 176.117 -0.028 0.000 1.175 372 I CA 1.423 62.712 61.300 -0.018 0.000 1.320 372 I CB 0.382 38.385 38.000 0.005 0.000 1.523 372 I HN 0.201 nan 8.210 nan 0.000 0.450 373 T N -2.587 111.949 114.554 -0.029 0.000 3.056 373 T HA 0.329 4.679 4.350 -0.000 0.000 0.241 373 T C 1.634 176.288 174.700 -0.076 0.000 1.006 373 T CA 0.783 62.870 62.100 -0.021 0.000 1.115 373 T CB 0.239 69.126 68.868 0.032 0.000 0.939 373 T HN 0.715 nan 8.240 nan 0.000 0.462 374 G N 1.942 110.625 108.800 -0.195 0.000 2.143 374 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.248 374 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.248 374 G C -0.065 174.808 174.900 -0.045 0.000 0.991 374 G CA 0.590 45.435 45.100 -0.426 0.000 0.689 374 G HN 0.750 nan 8.290 nan 0.000 0.522 378 D N 1.211 121.562 120.400 -0.082 0.000 2.349 378 D HA 0.026 4.666 4.640 -0.000 0.000 0.214 378 D C 0.982 177.251 176.300 -0.052 0.000 1.063 378 D CA 0.096 54.090 54.000 -0.010 0.000 0.847 378 D CB 0.606 41.418 40.800 0.020 0.000 0.933 378 D HN 0.147 nan 8.370 nan 0.000 0.513 379 R N -0.547 119.798 120.500 -0.258 0.000 3.041 379 R HA 0.844 5.184 4.340 -0.000 0.000 0.254 379 R C -1.406 174.599 176.300 -0.491 0.000 1.244 379 R CA -0.969 54.628 56.100 -0.839 0.000 1.023 379 R CB 0.726 30.464 30.300 -0.936 0.000 1.332 379 R HN -0.031 nan 8.270 nan 0.000 0.463 380 A N 0.160 122.639 122.820 -0.569 0.000 2.583 380 A HA 0.525 4.845 4.320 -0.000 0.000 0.292 380 A C -1.341 176.409 177.584 0.276 0.000 1.045 380 A CA -0.862 51.269 52.037 0.156 0.000 0.672 380 A CB 1.061 20.324 19.000 0.438 0.000 1.283 380 A HN 0.557 nan 8.150 nan 0.000 0.419 381 I N 1.287 122.028 120.570 0.285 0.000 2.385 381 I HA 0.312 4.482 4.170 -0.000 0.000 0.294 381 I C 0.684 176.922 176.117 0.202 0.000 0.988 381 I CA -0.342 61.019 61.300 0.103 0.000 1.265 381 I CB 1.578 39.393 38.000 -0.308 0.000 1.388 381 I HN 0.863 nan 8.210 nan 0.000 0.480 382 E N 5.520 125.706 120.200 -0.024 0.000 2.373 382 E HA 0.199 4.549 4.350 -0.000 0.000 0.267 382 E C -1.587 174.964 176.600 -0.081 0.000 1.032 382 E CA -0.208 55.864 56.400 -0.547 0.000 0.889 382 E CB 0.916 30.360 29.700 -0.427 0.000 0.984 382 E HN 0.438 nan 8.360 nan 0.000 0.425 383 F N 4.224 123.992 119.950 -0.304 0.000 2.569 383 F HA 0.527 5.054 4.527 -0.000 0.000 0.312 383 F C -1.798 173.945 175.800 -0.096 0.000 1.109 383 F CA -0.641 57.315 58.000 -0.074 0.000 0.919 383 F CB 1.535 40.498 39.000 -0.061 0.000 1.211 383 F HN 0.212 nan 8.300 nan 0.000 0.446 384 V N 4.056 123.340 119.914 -1.050 0.000 2.733 384 V HA 0.246 4.366 4.120 -0.000 0.000 0.306 384 V C -1.261 174.357 176.094 -0.793 0.000 1.084 384 V CA -0.826 61.087 62.300 -0.644 0.000 0.905 384 V CB 1.839 33.570 31.823 -0.154 0.000 1.010 384 V HN 0.679 nan 8.190 nan 0.000 0.424 385 D N 2.870 123.053 120.400 -0.362 0.000 2.558 385 D HA 0.342 4.982 4.640 -0.000 0.000 0.221 385 D C -0.541 175.714 176.300 -0.076 0.000 1.143 385 D CA 0.209 54.179 54.000 -0.051 0.000 1.010 385 D CB -0.334 40.547 40.800 0.136 0.000 1.068 385 D HN 0.675 nan 8.370 nan 0.000 0.511 386 H N 1.620 120.535 119.070 -0.258 0.000 2.930 386 H HA 0.265 4.821 4.556 -0.000 0.000 0.371 386 H C 0.479 175.518 175.328 -0.481 0.000 1.169 386 H CA -0.882 55.001 56.048 -0.275 0.000 1.157 386 H CB 1.351 31.023 29.762 -0.150 0.000 1.789 386 H HN -0.123 nan 8.280 nan 0.000 0.547 387 L N 1.312 122.428 121.223 -0.179 0.000 4.245 387 L HA -0.315 4.025 4.340 -0.000 0.000 0.438 387 L C 1.146 178.051 176.870 0.058 0.000 1.121 387 L CA 1.049 55.811 54.840 -0.131 0.000 0.984 387 L CB -2.242 39.592 42.059 -0.376 0.000 1.873 387 L HN 0.874 nan 8.230 nan 0.000 1.054 388 H N 0.884 120.061 119.070 0.178 0.000 2.489 388 H HA -0.092 4.464 4.556 -0.000 0.000 0.293 388 H C 2.105 177.579 175.328 0.244 0.000 1.066 388 H CA 1.585 57.783 56.048 0.250 0.000 1.305 388 H CB 0.226 30.084 29.762 0.160 0.000 1.386 388 H HN 0.713 nan 8.280 nan 0.000 0.551 389 Q N 0.974 120.874 119.800 0.166 0.000 2.436 389 Q HA -0.124 4.216 4.340 -0.000 0.000 0.209 389 Q C 0.568 176.549 176.000 -0.032 0.000 0.965 389 Q CA 1.124 56.937 55.803 0.017 0.000 0.910 389 Q CB -0.547 28.095 28.738 -0.159 0.000 0.980 389 Q HN 0.564 nan 8.270 nan 0.000 0.491 390 H N -0.752 118.340 119.070 0.037 0.000 2.539 390 H HA 0.292 4.848 4.556 -0.000 0.000 0.267 390 H C -0.695 174.394 175.328 -0.399 0.000 0.982 390 H CA -0.061 55.921 56.048 -0.110 0.000 1.146 390 H CB -0.015 29.526 29.762 -0.369 0.000 1.382 390 H HN 0.080 nan 8.280 nan 0.000 0.577 391 F N -0.563 119.417 119.950 0.049 0.000 2.495 391 F HA 0.189 4.716 4.527 -0.000 0.000 0.327 391 F C 0.585 176.240 175.800 -0.242 0.000 1.103 391 F CA -0.984 56.949 58.000 -0.111 0.000 0.949 391 F CB 1.486 40.499 39.000 0.022 0.000 1.142 391 F HN -0.140 nan 8.300 nan 0.000 0.457 392 L N 0.953 122.040 121.223 -0.226 0.000 2.131 392 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 392 L C 0.789 177.692 176.870 0.054 0.000 1.092 392 L CA 1.638 56.374 54.840 -0.174 0.000 0.759 392 L CB -0.370 41.588 42.059 -0.169 0.000 0.903 392 L HN 0.536 nan 8.230 nan 0.000 0.435 393 D N 0.076 120.547 120.400 0.118 0.000 2.634 393 D HA 0.166 4.806 4.640 -0.000 0.000 0.318 393 D C -2.400 173.987 176.300 0.145 0.000 1.226 393 D CA -2.156 51.924 54.000 0.134 0.000 0.899 393 D CB 0.582 41.468 40.800 0.144 0.000 1.025 393 D HN -0.003 nan 8.370 nan 0.000 0.501 394 P HA 0.012 nan 4.420 nan 0.000 0.269 394 P C 0.412 177.749 177.300 0.062 0.000 1.209 394 P CA -0.456 62.733 63.100 0.148 0.000 0.776 394 P CB 1.052 32.869 31.700 0.195 0.000 0.876 395 V N 1.178 121.096 119.914 0.008 0.000 3.139 395 V HA 0.229 4.349 4.120 -0.000 0.000 0.307 395 V C 0.371 176.412 176.094 -0.087 0.000 1.095 395 V CA -0.182 62.122 62.300 0.007 0.000 1.160 395 V CB -0.406 31.486 31.823 0.116 0.000 1.003 395 V HN 0.450 nan 8.190 nan 0.000 0.489 396 R N 3.709 124.152 120.500 -0.096 0.000 2.451 396 R HA 0.614 4.954 4.340 -0.000 0.000 0.307 396 R C -1.245 174.875 176.300 -0.301 0.000 0.965 396 R CA -0.699 55.303 56.100 -0.163 0.000 0.865 396 R CB 1.657 31.908 30.300 -0.081 0.000 1.174 396 R HN 0.631 nan 8.270 nan 0.000 0.455 397 I N 3.138 123.442 120.570 -0.442 0.000 2.312 397 I HA 0.197 4.367 4.170 -0.000 0.000 0.290 397 I C -0.046 175.838 176.117 -0.389 0.000 1.008 397 I CA -0.213 60.733 61.300 -0.589 0.000 1.226 397 I CB 1.456 38.895 38.000 -0.936 0.000 1.371 397 I HN 0.614 nan 8.210 nan 0.000 0.468 398 Q N 6.661 126.271 119.800 -0.316 0.000 2.381 398 Q HA 0.187 4.527 4.340 -0.000 0.000 0.263 398 Q C -0.178 175.717 176.000 -0.176 0.000 1.030 398 Q CA -0.420 55.264 55.803 -0.199 0.000 0.772 398 Q CB 0.499 29.159 28.738 -0.131 0.000 1.232 398 Q HN 0.633 nan 8.270 nan 0.000 0.476 399 H N 3.001 121.879 119.070 -0.321 0.000 2.680 399 H HA -0.224 4.332 4.556 -0.000 0.000 0.328 399 H C 0.493 175.547 175.328 -0.456 0.000 1.139 399 H CA 1.350 57.198 56.048 -0.334 0.000 1.124 399 H CB -0.807 28.828 29.762 -0.212 0.000 1.584 399 H HN 1.174 nan 8.280 nan 0.000 0.410 400 G N 1.404 109.675 108.800 -0.881 0.000 2.179 400 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.257 400 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.257 400 G C 0.117 174.716 174.900 -0.503 0.000 1.010 400 G CA 0.731 45.194 45.100 -1.061 0.000 0.736 400 G HN 0.696 nan 8.290 nan 0.000 0.513 401 R N -1.664 118.589 120.500 -0.410 0.000 2.698 401 R HA 0.468 4.808 4.340 -0.000 0.000 0.275 401 R C -1.062 175.095 176.300 -0.238 0.000 1.001 401 R CA -0.954 55.021 56.100 -0.209 0.000 0.896 401 R CB 1.279 31.500 30.300 -0.132 0.000 1.218 401 R HN 0.114 nan 8.270 nan 0.000 0.462 402 Y N 2.068 122.284 120.300 -0.140 0.000 2.377 402 Y HA 0.189 4.739 4.550 -0.000 0.000 0.330 402 Y C 0.444 176.247 175.900 -0.161 0.000 1.108 402 Y CA 0.033 58.036 58.100 -0.162 0.000 1.308 402 Y CB 0.724 39.093 38.460 -0.152 0.000 1.216 402 Y HN 0.227 nan 8.280 nan 0.000 0.518 403 L N 4.042 125.254 121.223 -0.018 0.000 2.305 403 L HA 0.429 4.769 4.340 -0.000 0.000 0.281 403 L C 0.388 177.225 176.870 -0.055 0.000 1.085 403 L CA -0.957 53.855 54.840 -0.047 0.000 0.813 403 L CB 0.855 42.884 42.059 -0.050 0.000 1.157 403 L HN 0.704 nan 8.230 nan 0.000 0.436 404 A N 6.384 129.135 122.820 -0.116 0.000 2.522 404 A HA 0.301 4.621 4.320 -0.000 0.000 0.256 404 A C -2.009 175.611 177.584 0.061 0.000 1.086 404 A CA -0.935 50.980 52.037 -0.204 0.000 0.763 404 A CB -0.736 18.066 19.000 -0.330 0.000 1.024 404 A HN 0.447 nan 8.150 nan 0.000 0.502 405 P HA 0.103 nan 4.420 nan 0.000 0.268 405 P C -0.126 177.408 177.300 0.390 0.000 1.208 405 P CA 0.239 63.480 63.100 0.235 0.000 0.777 405 P CB 0.885 32.708 31.700 0.205 0.000 0.875 406 E N -0.179 120.173 120.200 0.254 0.000 2.391 406 E HA 0.088 4.438 4.350 -0.000 0.000 0.206 406 E C 0.196 176.883 176.600 0.145 0.000 0.851 406 E CA -0.107 56.415 56.400 0.203 0.000 1.059 406 E CB 0.254 30.044 29.700 0.149 0.000 1.065 406 E HN 0.142 nan 8.360 nan 0.000 0.512 407 V N 3.700 123.701 119.914 0.145 0.000 2.999 407 V HA 0.032 4.152 4.120 -0.000 0.000 0.307 407 V C -2.198 173.963 176.094 0.112 0.000 1.084 407 V CA -1.063 61.305 62.300 0.114 0.000 1.155 407 V CB 0.232 32.123 31.823 0.114 0.000 0.975 407 V HN 0.020 nan 8.190 nan 0.000 0.490 408 P HA 0.482 nan 4.420 nan 0.000 0.271 408 P C 0.242 177.573 177.300 0.051 0.000 1.216 408 P CA 1.057 64.179 63.100 0.037 0.000 0.776 408 P CB 0.679 32.388 31.700 0.015 0.000 0.881 409 G N 1.435 110.238 108.800 0.005 0.000 2.373 409 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.634 409 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.634 409 G C -0.472 174.392 174.900 -0.059 0.000 1.267 409 G CA -0.719 44.392 45.100 0.018 0.000 1.008 409 G HN 0.440 nan 8.290 nan 0.000 0.497 410 F N 0.918 120.779 119.950 -0.147 0.000 2.727 410 F HA 0.323 4.850 4.527 -0.000 0.000 0.302 410 F C 1.735 177.507 175.800 -0.046 0.000 1.097 410 F CA 0.562 58.389 58.000 -0.288 0.000 1.330 410 F CB 0.200 39.150 39.000 -0.083 0.000 1.084 410 F HN 0.741 nan 8.300 nan 0.000 0.578 411 S N -0.090 115.787 115.700 0.295 0.000 3.476 411 S HA -0.291 4.179 4.470 -0.000 0.000 0.309 411 S C 1.004 175.711 174.600 0.179 0.000 1.222 411 S CA 0.453 58.813 58.200 0.266 0.000 0.922 411 S CB -1.807 61.607 63.200 0.357 0.000 1.023 411 S HN 0.595 nan 8.310 nan 0.000 0.591 412 A N 0.181 123.125 122.820 0.207 0.000 2.095 412 A HA 0.244 4.564 4.320 -0.000 0.000 0.212 412 A C 0.912 178.745 177.584 0.414 0.000 1.162 412 A CA 0.641 52.838 52.037 0.267 0.000 0.753 412 A CB -0.034 19.081 19.000 0.192 0.000 0.840 412 A HN 0.676 nan 8.150 nan 0.000 0.468 416 P HA -0.151 nan 4.420 nan 0.000 0.216 416 P C 1.364 178.710 177.300 0.076 0.000 1.150 416 P CA 2.240 65.382 63.100 0.070 0.000 0.843 416 P CB 0.242 31.992 31.700 0.083 0.000 0.787 417 A N -0.893 121.985 122.820 0.097 0.000 1.933 417 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 417 A C 2.321 179.990 177.584 0.142 0.000 1.175 417 A CA 2.092 54.179 52.037 0.082 0.000 0.628 417 A CB -1.418 17.605 19.000 0.039 0.000 0.814 417 A HN 0.136 nan 8.150 nan 0.000 0.444 418 S N -0.284 115.551 115.700 0.225 0.000 2.355 418 S HA -0.107 4.363 4.470 -0.000 0.000 0.222 418 S C 1.746 176.532 174.600 0.310 0.000 1.031 418 S CA 1.474 59.929 58.200 0.425 0.000 0.993 418 S CB -0.401 63.100 63.200 0.502 0.000 0.859 418 S HN 0.447 nan 8.310 nan 0.000 0.453 419 I N 2.195 122.825 120.570 0.101 0.000 2.226 419 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 419 I C 2.505 178.667 176.117 0.074 0.000 1.100 419 I CA 1.032 62.338 61.300 0.010 0.000 1.374 419 I CB -0.780 37.136 38.000 -0.140 0.000 1.057 419 I HN 0.236 nan 8.210 nan 0.000 0.413 420 A N -0.406 122.457 122.820 0.070 0.000 1.972 420 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 420 A C 2.295 179.906 177.584 0.045 0.000 1.169 420 A CA 2.016 54.091 52.037 0.065 0.000 0.635 420 A CB -0.494 18.537 19.000 0.051 0.000 0.810 420 A HN 0.416 nan 8.150 nan 0.000 0.446 421 E N -1.233 118.977 120.200 0.017 0.000 2.140 421 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 421 E C 0.749 177.130 176.600 -0.365 0.000 0.973 421 E CA 0.869 57.148 56.400 -0.203 0.000 0.829 421 E CB -0.189 29.322 29.700 -0.315 0.000 0.781 421 E HN 0.565 nan 8.360 nan 0.000 0.466 422 F N 0.204 120.222 119.950 0.113 0.000 2.654 422 F HA 0.387 4.914 4.527 -0.000 0.000 0.303 422 F C 0.580 176.546 175.800 0.276 0.000 1.099 422 F CA -0.387 57.706 58.000 0.155 0.000 1.270 422 F CB 0.502 39.344 39.000 -0.263 0.000 1.024 422 F HN -0.247 nan 8.300 nan 0.000 0.548 423 S N 0.411 116.307 115.700 0.328 0.000 2.568 423 S HA 0.023 4.493 4.470 -0.000 0.000 0.282 423 S C -0.837 173.916 174.600 0.256 0.000 1.338 423 S CA 0.063 58.402 58.200 0.233 0.000 1.045 423 S CB 0.311 63.626 63.200 0.192 0.000 0.873 423 S HN 0.290 nan 8.310 nan 0.000 0.516 424 Y N 4.854 125.081 120.300 -0.122 0.000 2.364 424 Y HA 0.473 5.023 4.550 -0.000 0.000 0.340 424 Y C -1.995 173.806 175.900 -0.165 0.000 0.975 424 Y CA -2.035 55.842 58.100 -0.372 0.000 1.089 424 Y CB 1.902 39.952 38.460 -0.684 0.000 1.192 424 Y HN 0.426 nan 8.280 nan 0.000 0.454 425 P HA 0.128 nan 4.420 nan 0.000 0.278 425 P C -0.464 176.733 177.300 -0.172 0.000 1.502 425 P CA 0.149 62.760 63.100 -0.815 0.000 1.114 425 P CB 0.438 31.434 31.700 -1.173 0.000 1.541 426 D N -0.849 119.521 120.400 -0.050 0.000 2.339 426 D HA 0.061 4.701 4.640 -0.000 0.000 0.217 426 D C 1.072 177.437 176.300 0.107 0.000 1.050 426 D CA -0.147 53.870 54.000 0.028 0.000 0.856 426 D CB -0.717 40.093 40.800 0.016 0.000 0.922 426 D HN -0.017 nan 8.370 nan 0.000 0.518 427 G N 0.838 109.771 108.800 0.222 0.000 2.484 427 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.235 427 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.235 427 G C 0.931 175.915 174.900 0.140 0.000 1.282 427 G CA -0.543 44.700 45.100 0.239 0.000 0.857 427 G HN -0.013 nan 8.290 nan 0.000 0.571 428 R N 1.580 122.108 120.500 0.048 0.000 2.154 428 R HA -0.194 4.146 4.340 -0.000 0.000 0.248 428 R C 1.923 178.186 176.300 -0.063 0.000 1.155 428 R CA 1.709 57.800 56.100 -0.014 0.000 0.979 428 R CB -0.531 29.749 30.300 -0.033 0.000 0.869 428 R HN 0.650 nan 8.270 nan 0.000 0.452 429 F N -0.950 118.832 119.950 -0.281 0.000 2.187 429 F HA -0.093 4.434 4.527 -0.000 0.000 0.295 429 F C 1.565 177.108 175.800 -0.428 0.000 1.091 429 F CA 1.154 58.882 58.000 -0.453 0.000 1.308 429 F CB -0.439 38.086 39.000 -0.792 0.000 1.030 429 F HN -0.038 nan 8.300 nan 0.000 0.487 430 W N -0.365 120.989 121.300 0.090 0.000 2.519 430 W HA 0.009 4.669 4.660 -0.000 0.000 0.266 430 W C 2.144 178.590 176.519 -0.122 0.000 1.253 430 W CA 0.778 58.131 57.345 0.014 0.000 1.274 430 W CB -0.519 29.003 29.460 0.104 0.000 1.114 430 W HN -0.203 nan 8.180 nan 0.000 0.596 431 V N 1.095 121.033 119.914 0.040 0.000 2.407 431 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 431 V C 2.209 178.250 176.094 -0.089 0.000 1.041 431 V CA 2.372 64.662 62.300 -0.018 0.000 1.040 431 V CB -0.731 31.081 31.823 -0.017 0.000 0.671 431 V HN 0.298 nan 8.190 nan 0.000 0.455 432 E N 0.395 120.489 120.200 -0.177 0.000 2.072 432 E HA -0.246 4.103 4.350 -0.000 0.000 0.190 432 E C 1.831 178.269 176.600 -0.270 0.000 0.982 432 E CA 1.476 57.746 56.400 -0.216 0.000 0.803 432 E CB -0.438 29.107 29.700 -0.258 0.000 0.755 432 E HN 0.526 nan 8.360 nan 0.000 0.453 433 D N 1.673 121.809 120.400 -0.440 0.000 2.108 433 D HA -0.152 4.488 4.640 -0.000 0.000 0.190 433 D C 1.024 177.243 176.300 -0.135 0.000 0.995 433 D CA 1.076 54.833 54.000 -0.405 0.000 0.834 433 D CB -0.198 40.255 40.800 -0.578 0.000 0.967 433 D HN 0.189 nan 8.370 nan 0.000 0.446 434 L N 0.359 121.564 121.223 -0.031 0.000 2.544 434 L HA 0.380 4.720 4.340 -0.000 0.000 0.240 434 L C 0.296 177.153 176.870 -0.022 0.000 1.421 434 L CA -0.455 54.395 54.840 0.017 0.000 1.206 434 L CB -0.732 41.360 42.059 0.055 0.000 1.463 434 L HN 0.096 nan 8.230 nan 0.000 0.437 435 A N 0.000 122.793 122.820 -0.045 0.000 2.254 435 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 435 A CA 0.000 52.010 52.037 -0.046 0.000 0.836 435 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 435 A HN 0.000 nan 8.150 nan 0.000 0.486