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 2oyl_1_A DATA FIRST_RESID 43 DATA SEQUENCE PSYLKDDDGR SLILRGFNTA SSAKSAPDGM PQFTEADLAR EYADMGTNFV DATA SEQUENCE RFLISWRSVE PAPGVYDQQY LDRVEDRVGW YAERGYKVML DMHQDVYSGA DATA SEQUENCE ITPXXXXXXX XXAIGNGAPA WATYMDGLPV EPQPRWELYY IQPGVMRAFD DATA SEQUENCE NFWNTTGKHP ELVEHYAKAW RAVADRFADN DAVVAYDLMN EPFGGSLQGP DATA SEQUENCE AFEAGPLAAM YQRTTDAIRQ VDQDTWVCVA PQAIGVNQGL PSGLTKIDDP DATA SEQUENCE RAGQQRIAYC PHLYPLPLXX XXXHEGLART LTDVTIDAWR ANTAHTARVL DATA SEQUENCE GDVPIILGEF GLDTTLPGAR DYIERVYGTA REMGAGVSYW SSDPGPWGPY DATA SEQUENCE LPDGTQTLLV DTLNKPYPRA VAGTPTEWSS TSDRLQLTIE PDAAITAPTE DATA SEQUENCE IYLPEAGFPG DVHVEGADVV GWDRQSRLLT VRTPADSGNV TVTVTPAA 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.253 177.300 -0.078 0.000 1.155 43 P CA 0.000 63.050 63.100 -0.083 0.000 0.800 43 P CB 0.000 31.596 31.700 -0.173 0.000 0.726 44 S N -0.207 115.388 115.700 -0.176 0.000 2.638 44 S HA 0.873 5.344 4.470 0.001 0.000 0.298 44 S C -1.099 173.314 174.600 -0.312 0.000 1.111 44 S CA -0.682 57.471 58.200 -0.078 0.000 1.027 44 S CB 1.255 64.453 63.200 -0.003 0.000 1.064 44 S HN 0.368 nan 8.310 nan 0.000 0.525 45 Y N -0.071 120.205 120.300 -0.040 0.000 2.499 45 Y HA 0.555 5.105 4.550 0.001 0.000 0.347 45 Y C -0.259 175.499 175.900 -0.236 0.000 0.987 45 Y CA -1.226 56.799 58.100 -0.124 0.000 1.044 45 Y CB 1.042 39.447 38.460 -0.092 0.000 1.245 45 Y HN 0.536 nan 8.280 nan 0.000 0.461 46 L N 3.589 124.588 121.223 -0.374 0.000 2.483 46 L HA 0.165 4.505 4.340 0.001 0.000 0.275 46 L C -0.166 176.452 176.870 -0.420 0.000 1.220 46 L CA 0.217 54.489 54.840 -0.948 0.000 0.833 46 L CB 0.087 41.453 42.059 -1.156 0.000 1.102 46 L HN 0.449 nan 8.230 nan 0.000 0.490 47 K N 1.038 121.243 120.400 -0.325 0.000 2.318 47 K HA 0.408 4.729 4.320 0.001 0.000 0.249 47 K C -0.949 175.694 176.600 0.072 0.000 0.942 47 K CA -0.930 55.361 56.287 0.007 0.000 0.808 47 K CB 1.803 34.405 32.500 0.170 0.000 1.189 47 K HN 0.617 nan 8.250 nan 0.000 0.428 48 D N -0.297 120.132 120.400 0.049 0.000 2.447 48 D HA 0.054 4.695 4.640 0.001 0.000 0.265 48 D C 0.270 176.629 176.300 0.097 0.000 1.250 48 D CA -0.180 53.865 54.000 0.074 0.000 1.046 48 D CB 0.482 41.304 40.800 0.037 0.000 1.095 48 D HN 0.273 nan 8.370 nan 0.000 0.555 49 D N -1.091 119.360 120.400 0.084 0.000 2.310 49 D HA -0.083 4.558 4.640 0.001 0.000 0.212 49 D C 0.523 176.854 176.300 0.052 0.000 0.965 49 D CA 0.696 54.740 54.000 0.072 0.000 0.879 49 D CB -0.066 40.771 40.800 0.062 0.000 0.921 49 D HN 0.397 nan 8.370 nan 0.000 0.510 50 D N -0.546 119.878 120.400 0.040 0.000 2.340 50 D HA 0.084 4.725 4.640 0.001 0.000 0.220 50 D C 1.526 177.840 176.300 0.024 0.000 1.039 50 D CA 0.540 54.556 54.000 0.025 0.000 0.866 50 D CB 0.748 41.555 40.800 0.013 0.000 0.913 50 D HN 0.245 nan 8.370 nan 0.000 0.523 51 G N 1.746 110.570 108.800 0.040 0.000 2.159 51 G HA2 -0.317 3.644 3.960 0.001 0.000 0.256 51 G HA3 -0.317 3.644 3.960 0.001 0.000 0.256 51 G C 0.361 175.271 174.900 0.017 0.000 0.977 51 G CA -0.269 44.857 45.100 0.042 0.000 0.652 51 G HN 0.274 nan 8.290 nan 0.000 0.531 52 R N 0.628 121.126 120.500 -0.003 0.000 2.490 52 R HA 0.481 4.822 4.340 0.001 0.000 0.280 52 R C 0.205 176.468 176.300 -0.061 0.000 1.077 52 R CA 0.028 56.102 56.100 -0.043 0.000 1.065 52 R CB 0.722 30.989 30.300 -0.054 0.000 1.003 52 R HN 0.192 nan 8.270 nan 0.000 0.470 53 S N 3.027 118.653 115.700 -0.123 0.000 2.499 53 S HA 0.215 4.686 4.470 0.001 0.000 0.275 53 S C 0.041 174.530 174.600 -0.184 0.000 1.257 53 S CA -0.546 57.548 58.200 -0.178 0.000 1.050 53 S CB 0.421 63.386 63.200 -0.393 0.000 0.937 53 S HN 0.306 nan 8.310 nan 0.000 0.490 54 L N 4.272 125.443 121.223 -0.087 0.000 2.275 54 L HA 0.490 4.830 4.340 0.001 0.000 0.288 54 L C -0.370 176.517 176.870 0.029 0.000 1.046 54 L CA -0.313 54.489 54.840 -0.062 0.000 0.805 54 L CB 0.733 42.733 42.059 -0.098 0.000 1.193 54 L HN 0.531 nan 8.230 nan 0.000 0.426 55 I N 5.083 125.666 120.570 0.022 0.000 2.328 55 I HA 0.296 4.467 4.170 0.001 0.000 0.287 55 I C -0.464 175.718 176.117 0.108 0.000 1.012 55 I CA -0.263 61.108 61.300 0.119 0.000 1.195 55 I CB 1.117 39.189 38.000 0.119 0.000 1.350 55 I HN 0.389 nan 8.210 nan 0.000 0.464 56 L N 7.275 128.484 121.223 -0.024 0.000 2.282 56 L HA 0.569 4.910 4.340 0.001 0.000 0.288 56 L C -0.212 176.638 176.870 -0.034 0.000 1.033 56 L CA -0.675 54.075 54.840 -0.150 0.000 0.807 56 L CB 0.808 42.424 42.059 -0.739 0.000 1.209 56 L HN 0.458 nan 8.230 nan 0.000 0.423 57 R N 2.943 123.499 120.500 0.092 0.000 2.502 57 R HA 0.761 5.101 4.340 0.001 0.000 0.298 57 R C -0.272 176.140 176.300 0.188 0.000 1.018 57 R CA -0.522 55.605 56.100 0.046 0.000 0.899 57 R CB 1.945 32.011 30.300 -0.391 0.000 1.181 57 R HN 0.857 nan 8.270 nan 0.000 0.444 58 G N 1.536 110.465 108.800 0.216 0.000 2.510 58 G HA2 0.532 4.493 3.960 0.001 0.000 0.277 58 G HA3 0.532 4.493 3.960 0.001 0.000 0.277 58 G C -1.703 173.111 174.900 -0.144 0.000 1.223 58 G CA -0.387 44.806 45.100 0.156 0.000 0.887 58 G HN 0.200 nan 8.290 nan 0.000 0.485 59 F N 0.392 120.454 119.950 0.187 0.000 2.611 59 F HA 0.495 5.023 4.527 0.001 0.000 0.324 59 F C 0.380 176.160 175.800 -0.034 0.000 1.061 59 F CA -0.942 57.127 58.000 0.114 0.000 0.954 59 F CB 2.042 41.086 39.000 0.073 0.000 1.301 59 F HN 0.146 nan 8.300 nan 0.000 0.482 60 N N 0.949 119.740 118.700 0.152 0.000 2.470 60 N HA 0.238 4.979 4.740 0.001 0.000 0.268 60 N C -1.085 174.268 175.510 -0.261 0.000 1.136 60 N CA 0.395 53.407 53.050 -0.063 0.000 0.961 60 N CB 1.090 39.539 38.487 -0.064 0.000 1.067 60 N HN 0.485 nan 8.380 nan 0.000 0.468 61 T N 1.320 115.670 114.554 -0.341 0.000 2.985 61 T HA 0.592 4.943 4.350 0.001 0.000 0.315 61 T C -0.764 173.553 174.700 -0.638 0.000 1.001 61 T CA -0.577 61.222 62.100 -0.502 0.000 1.016 61 T CB 1.214 69.744 68.868 -0.564 0.000 0.993 61 T HN 0.603 nan 8.240 nan 0.000 0.454 62 A N 1.537 124.012 122.820 -0.575 0.000 2.606 62 A HA 0.780 5.101 4.320 0.001 0.000 0.293 62 A C 1.129 178.465 177.584 -0.414 0.000 1.082 62 A CA -0.550 51.193 52.037 -0.489 0.000 0.685 62 A CB 1.187 19.971 19.000 -0.359 0.000 1.284 62 A HN 0.520 nan 8.150 nan 0.000 0.408 63 S N 0.134 115.577 115.700 -0.428 0.000 2.400 63 S HA -0.174 4.297 4.470 0.001 0.000 0.232 63 S C 2.063 176.557 174.600 -0.177 0.000 1.025 63 S CA 2.632 60.700 58.200 -0.220 0.000 0.993 63 S CB -0.483 62.650 63.200 -0.112 0.000 0.808 63 S HN 1.625 nan 8.310 nan 0.000 0.478 64 S N 1.238 116.833 115.700 -0.175 0.000 2.440 64 S HA 0.004 4.474 4.470 0.001 0.000 0.238 64 S C 1.929 176.466 174.600 -0.105 0.000 1.010 64 S CA 0.975 59.106 58.200 -0.115 0.000 0.972 64 S CB -0.673 62.481 63.200 -0.076 0.000 0.774 64 S HN 0.621 nan 8.310 nan 0.000 0.501 65 A N 2.077 124.811 122.820 -0.144 0.000 2.015 65 A HA -0.005 4.316 4.320 0.001 0.000 0.219 65 A C 2.195 179.717 177.584 -0.103 0.000 1.163 65 A CA 1.322 53.286 52.037 -0.121 0.000 0.646 65 A CB -0.528 18.354 19.000 -0.196 0.000 0.806 65 A HN 0.602 nan 8.150 nan 0.000 0.448 66 K N 0.350 120.678 120.400 -0.120 0.000 2.103 66 K HA -0.137 4.183 4.320 0.001 0.000 0.207 66 K C 2.027 178.565 176.600 -0.102 0.000 1.048 66 K CA 1.792 58.017 56.287 -0.103 0.000 0.930 66 K CB -0.151 32.283 32.500 -0.109 0.000 0.716 66 K HN 0.661 nan 8.250 nan 0.000 0.444 67 S N -0.427 115.214 115.700 -0.098 0.000 2.523 67 S HA 0.277 4.748 4.470 0.001 0.000 0.217 67 S C 0.643 175.200 174.600 -0.071 0.000 0.996 67 S CA -0.447 57.698 58.200 -0.092 0.000 0.921 67 S CB 0.480 63.624 63.200 -0.093 0.000 0.829 67 S HN 0.180 nan 8.310 nan 0.000 0.495 68 A N 3.326 126.112 122.820 -0.057 0.000 2.491 68 A HA 0.483 4.804 4.320 0.001 0.000 0.261 68 A C -0.992 176.572 177.584 -0.032 0.000 1.101 68 A CA -1.180 50.838 52.037 -0.032 0.000 0.772 68 A CB -0.133 18.862 19.000 -0.008 0.000 1.043 68 A HN 0.245 nan 8.150 nan 0.000 0.501 69 P HA -0.209 nan 4.420 nan 0.000 0.216 69 P C 0.713 178.003 177.300 -0.017 0.000 1.154 69 P CA 1.887 64.969 63.100 -0.030 0.000 0.865 69 P CB 0.108 31.797 31.700 -0.019 0.000 0.789 70 D N -2.361 118.051 120.400 0.020 0.000 2.328 70 D HA 0.097 4.738 4.640 0.001 0.000 0.221 70 D C 1.362 177.739 176.300 0.128 0.000 1.072 70 D CA 0.509 54.551 54.000 0.069 0.000 0.850 70 D CB -0.935 39.918 40.800 0.087 0.000 0.922 70 D HN 0.235 nan 8.370 nan 0.000 0.516 71 G N 0.038 108.876 108.800 0.062 0.000 2.184 71 G HA2 -0.277 3.683 3.960 0.001 0.000 0.264 71 G HA3 -0.277 3.683 3.960 0.001 0.000 0.264 71 G C 0.192 175.208 174.900 0.194 0.000 0.975 71 G CA 0.545 45.703 45.100 0.096 0.000 0.642 71 G HN 0.275 nan 8.290 nan 0.000 0.536 72 M N 1.318 121.010 119.600 0.152 0.000 2.314 72 M HA 0.410 4.891 4.480 0.001 0.000 0.342 72 M C -1.975 174.363 176.300 0.064 0.000 1.171 72 M CA -2.779 52.605 55.300 0.140 0.000 1.098 72 M CB 0.768 33.460 32.600 0.153 0.000 1.559 72 M HN -0.001 nan 8.290 nan 0.000 0.459 73 P HA 0.121 nan 4.420 nan 0.000 0.274 73 P C -1.058 176.318 177.300 0.126 0.000 1.231 73 P CA -0.258 62.847 63.100 0.008 0.000 0.790 73 P CB 0.335 31.986 31.700 -0.082 0.000 0.951 74 Q N 1.323 121.180 119.800 0.094 0.000 2.815 74 Q HA 0.312 4.653 4.340 0.001 0.000 0.235 74 Q C -0.968 175.162 176.000 0.216 0.000 1.354 74 Q CA 0.355 56.228 55.803 0.116 0.000 0.953 74 Q CB -0.684 28.084 28.738 0.049 0.000 1.613 74 Q HN 0.384 nan 8.270 nan 0.000 0.572 75 F N 0.709 120.709 119.950 0.083 0.000 2.651 75 F HA 0.230 4.758 4.527 0.001 0.000 0.329 75 F C -0.452 175.482 175.800 0.223 0.000 1.186 75 F CA -0.581 57.486 58.000 0.111 0.000 1.046 75 F CB 1.432 40.516 39.000 0.139 0.000 1.296 75 F HN 0.180 nan 8.300 nan 0.000 0.497 76 T N 0.541 114.905 114.554 -0.316 0.000 2.937 76 T HA 0.333 4.684 4.350 0.001 0.000 0.283 76 T C 0.834 175.035 174.700 -0.831 0.000 1.012 76 T CA -0.367 61.498 62.100 -0.392 0.000 0.997 76 T CB 1.783 70.427 68.868 -0.374 0.000 1.136 76 T HN 0.794 nan 8.240 nan 0.000 0.551 77 E N 0.199 119.600 120.200 -1.332 0.000 2.110 77 E HA -0.103 4.248 4.350 0.001 0.000 0.193 77 E C 2.291 178.477 176.600 -0.690 0.000 0.988 77 E CA 1.159 56.791 56.400 -1.280 0.000 0.804 77 E CB -0.537 28.267 29.700 -1.493 0.000 0.745 77 E HN 0.771 nan 8.360 nan 0.000 0.458 78 A N 1.266 123.749 122.820 -0.562 0.000 1.933 78 A HA -0.227 4.094 4.320 0.001 0.000 0.218 78 A C 1.774 179.106 177.584 -0.419 0.000 1.175 78 A CA 1.856 53.654 52.037 -0.398 0.000 0.628 78 A CB -0.486 18.322 19.000 -0.320 0.000 0.814 78 A HN 0.268 nan 8.150 nan 0.000 0.444 79 D N -0.444 119.603 120.400 -0.589 0.000 2.117 79 D HA -0.134 4.507 4.640 0.001 0.000 0.197 79 D C 1.829 177.790 176.300 -0.564 0.000 0.987 79 D CA 1.296 54.873 54.000 -0.705 0.000 0.829 79 D CB -0.386 39.707 40.800 -1.178 0.000 0.961 79 D HN 0.367 nan 8.370 nan 0.000 0.460 80 L N 1.085 121.969 121.223 -0.566 0.000 2.056 80 L HA -0.033 4.308 4.340 0.001 0.000 0.207 80 L C 2.166 179.023 176.870 -0.021 0.000 1.078 80 L CA 1.618 56.376 54.840 -0.137 0.000 0.749 80 L CB -0.871 41.065 42.059 -0.206 0.000 0.901 80 L HN -0.039 nan 8.230 nan 0.000 0.433 81 A N -0.282 122.468 122.820 -0.116 0.000 1.917 81 A HA -0.292 4.028 4.320 0.001 0.000 0.219 81 A C 2.566 180.183 177.584 0.054 0.000 1.182 81 A CA 2.055 54.086 52.037 -0.011 0.000 0.633 81 A CB -0.697 18.245 19.000 -0.097 0.000 0.819 81 A HN 0.532 nan 8.150 nan 0.000 0.448 82 R N -0.383 120.091 120.500 -0.043 0.000 2.066 82 R HA -0.170 4.171 4.340 0.001 0.000 0.232 82 R C 2.269 178.641 176.300 0.120 0.000 1.131 82 R CA 1.726 57.808 56.100 -0.030 0.000 0.955 82 R CB -0.351 29.817 30.300 -0.220 0.000 0.851 82 R HN 0.728 nan 8.270 nan 0.000 0.432 83 E N -0.649 119.659 120.200 0.180 0.000 2.070 83 E HA -0.280 4.071 4.350 0.001 0.000 0.197 83 E C 1.795 178.604 176.600 0.348 0.000 1.004 83 E CA 1.612 58.216 56.400 0.340 0.000 0.805 83 E CB -0.291 29.657 29.700 0.414 0.000 0.744 83 E HN 0.432 nan 8.360 nan 0.000 0.451 84 Y N 0.543 121.005 120.300 0.270 0.000 2.181 84 Y HA -0.150 4.401 4.550 0.001 0.000 0.288 84 Y C 2.092 178.088 175.900 0.160 0.000 1.146 84 Y CA 1.667 59.919 58.100 0.252 0.000 1.164 84 Y CB -0.564 38.069 38.460 0.288 0.000 0.982 84 Y HN 0.154 nan 8.280 nan 0.000 0.515 85 A N -0.220 122.683 122.820 0.138 0.000 1.933 85 A HA -0.175 4.146 4.320 0.001 0.000 0.218 85 A C 1.795 179.413 177.584 0.056 0.000 1.175 85 A CA 2.099 54.179 52.037 0.071 0.000 0.628 85 A CB -0.632 18.431 19.000 0.104 0.000 0.814 85 A HN 0.513 nan 8.150 nan 0.000 0.444 86 D N -1.615 118.847 120.400 0.104 0.000 2.271 86 D HA 0.108 4.748 4.640 0.001 0.000 0.206 86 D C 1.629 177.991 176.300 0.104 0.000 0.967 86 D CA 1.031 55.110 54.000 0.132 0.000 0.867 86 D CB 0.105 41.036 40.800 0.219 0.000 0.960 86 D HN 0.477 nan 8.370 nan 0.000 0.509 87 M N -1.770 117.862 119.600 0.052 0.000 2.211 87 M HA 0.222 4.702 4.480 0.001 0.000 0.338 87 M C 0.763 176.900 176.300 -0.271 0.000 0.893 87 M CA 0.198 55.504 55.300 0.010 0.000 1.096 87 M CB 2.141 34.812 32.600 0.120 0.000 1.923 87 M HN -0.012 nan 8.290 nan 0.000 0.656 88 G N 3.012 111.467 108.800 -0.575 0.000 2.283 88 G HA2 -0.259 3.702 3.960 0.001 0.000 0.280 88 G HA3 -0.259 3.702 3.960 0.001 0.000 0.280 88 G C 0.197 174.797 174.900 -0.501 0.000 1.029 88 G CA 0.597 44.967 45.100 -1.216 0.000 0.840 88 G HN 0.536 nan 8.290 nan 0.000 0.505 89 T N -1.677 112.847 114.554 -0.050 0.000 2.855 89 T HA 0.424 4.775 4.350 0.001 0.000 0.314 89 T C 1.026 175.683 174.700 -0.070 0.000 1.077 89 T CA 0.388 62.570 62.100 0.137 0.000 1.095 89 T CB 1.387 70.507 68.868 0.421 0.000 0.987 89 T HN 0.858 nan 8.240 nan 0.000 0.546 90 N N -0.362 118.344 118.700 0.009 0.000 2.184 90 N HA 0.165 4.905 4.740 0.001 0.000 0.234 90 N C -0.929 174.722 175.510 0.236 0.000 1.282 90 N CA -0.586 52.362 53.050 -0.170 0.000 0.877 90 N CB 0.235 38.768 38.487 0.076 0.000 1.184 90 N HN 0.570 nan 8.380 nan 0.000 0.510 91 F N 0.413 120.539 119.950 0.293 0.000 2.613 91 F HA 0.725 5.252 4.527 0.001 0.000 0.310 91 F C -1.647 174.367 175.800 0.357 0.000 1.085 91 F CA -1.286 56.890 58.000 0.293 0.000 0.945 91 F CB 1.987 41.083 39.000 0.159 0.000 1.298 91 F HN -0.174 nan 8.300 nan 0.000 0.455 92 V N 5.590 125.168 119.914 -0.560 0.000 2.808 92 V HA 0.553 4.673 4.120 0.001 0.000 0.308 92 V C -1.413 174.121 176.094 -0.934 0.000 1.099 92 V CA -0.767 61.155 62.300 -0.631 0.000 0.920 92 V CB 2.058 33.473 31.823 -0.680 0.000 1.014 92 V HN 0.864 nan 8.190 nan 0.000 0.425 93 R N 5.250 125.404 120.500 -0.577 0.000 2.230 93 R HA 0.383 4.724 4.340 0.001 0.000 0.337 93 R C -1.454 174.767 176.300 -0.131 0.000 1.063 93 R CA -0.412 55.527 56.100 -0.268 0.000 0.935 93 R CB 0.503 30.783 30.300 -0.034 0.000 1.121 93 R HN 0.639 nan 8.270 nan 0.000 0.486 94 F N 5.534 125.337 119.950 -0.245 0.000 2.405 94 F HA 0.306 4.834 4.527 0.001 0.000 0.355 94 F C -0.793 174.956 175.800 -0.085 0.000 1.121 94 F CA -0.881 56.983 58.000 -0.225 0.000 1.112 94 F CB 0.685 39.497 39.000 -0.314 0.000 1.126 94 F HN 0.374 nan 8.300 nan 0.000 0.481 95 L N 7.933 128.819 121.223 -0.562 0.000 2.361 95 L HA 0.276 4.617 4.340 0.001 0.000 0.278 95 L C 0.237 176.996 176.870 -0.184 0.000 1.113 95 L CA 0.308 54.980 54.840 -0.280 0.000 0.849 95 L CB 0.189 42.037 42.059 -0.351 0.000 1.155 95 L HN 0.533 nan 8.230 nan 0.000 0.452 96 I N -0.035 120.579 120.570 0.073 0.000 3.237 96 I HA 0.943 5.114 4.170 0.001 0.000 0.308 96 I C -0.267 175.919 176.117 0.114 0.000 1.093 96 I CA -0.677 60.729 61.300 0.177 0.000 1.001 96 I CB 2.364 40.483 38.000 0.199 0.000 1.245 96 I HN 0.546 nan 8.210 nan 0.000 0.485 97 S N 0.343 116.093 115.700 0.084 0.000 2.536 97 S HA 0.237 4.708 4.470 0.001 0.000 0.271 97 S C -0.333 174.264 174.600 -0.005 0.000 1.134 97 S CA -0.752 57.454 58.200 0.009 0.000 0.897 97 S CB 1.426 64.594 63.200 -0.053 0.000 1.094 97 S HN 0.991 nan 8.310 nan 0.000 0.473 98 W N 3.795 124.978 121.300 -0.196 0.000 2.358 98 W HA -0.132 4.528 4.660 0.001 0.000 0.303 98 W C 2.169 178.582 176.519 -0.177 0.000 1.208 98 W CA 1.683 58.910 57.345 -0.197 0.000 1.274 98 W CB -0.616 28.750 29.460 -0.156 0.000 1.138 98 W HN 0.959 nan 8.180 nan 0.000 0.515 99 R N -0.127 120.257 120.500 -0.194 0.000 2.127 99 R HA -0.113 4.228 4.340 0.001 0.000 0.238 99 R C 1.997 178.147 176.300 -0.249 0.000 1.134 99 R CA 2.272 58.182 56.100 -0.317 0.000 0.975 99 R CB -1.436 28.675 30.300 -0.315 0.000 0.865 99 R HN -0.016 nan 8.270 nan 0.000 0.447 100 S N -0.015 115.479 115.700 -0.344 0.000 2.406 100 S HA 0.077 4.548 4.470 0.001 0.000 0.224 100 S C 1.888 176.211 174.600 -0.462 0.000 1.030 100 S CA 0.721 58.531 58.200 -0.649 0.000 0.958 100 S CB 0.027 62.369 63.200 -1.430 0.000 0.811 100 S HN 0.133 nan 8.310 nan 0.000 0.489 101 V N 1.099 120.924 119.914 -0.149 0.000 2.307 101 V HA -0.018 4.103 4.120 0.001 0.000 0.245 101 V C 1.241 177.524 176.094 0.315 0.000 1.045 101 V CA 1.259 63.678 62.300 0.199 0.000 1.024 101 V CB -0.212 31.724 31.823 0.190 0.000 0.651 101 V HN 0.425 nan 8.190 nan 0.000 0.449 102 E N 0.331 120.715 120.200 0.306 0.000 3.303 102 E HA 0.189 4.540 4.350 0.001 0.000 0.215 102 E C -1.926 174.837 176.600 0.271 0.000 1.181 102 E CA -1.606 55.026 56.400 0.386 0.000 0.998 102 E CB 1.413 31.532 29.700 0.698 0.000 1.312 102 E HN 0.313 nan 8.360 nan 0.000 0.412 103 P HA -0.038 nan 4.420 nan 0.000 0.222 103 P C 0.021 177.430 177.300 0.181 0.000 1.147 103 P CA 0.599 63.763 63.100 0.106 0.000 0.790 103 P CB 0.395 32.107 31.700 0.019 0.000 0.780 104 A N -0.599 122.234 122.820 0.022 0.000 2.498 104 A HA 0.652 4.973 4.320 0.001 0.000 0.298 104 A C -2.958 174.230 177.584 -0.660 0.000 1.075 104 A CA -2.158 49.662 52.037 -0.361 0.000 0.714 104 A CB 0.701 19.550 19.000 -0.251 0.000 1.299 104 A HN -0.230 nan 8.150 nan 0.000 0.407 105 P HA 0.232 nan 4.420 nan 0.000 0.260 105 P C 1.039 178.113 177.300 -0.378 0.000 1.185 105 P CA 2.192 64.614 63.100 -1.130 0.000 0.763 105 P CB 0.417 31.465 31.700 -1.088 0.000 0.776 106 G N 1.875 110.584 108.800 -0.152 0.000 2.168 106 G HA2 -0.216 3.744 3.960 0.001 0.000 0.263 106 G HA3 -0.216 3.744 3.960 0.001 0.000 0.263 106 G C -0.042 174.507 174.900 -0.585 0.000 0.977 106 G CA -0.036 44.896 45.100 -0.281 0.000 0.659 106 G HN 0.530 nan 8.290 nan 0.000 0.533 107 V N 1.209 120.785 119.914 -0.563 0.000 2.350 107 V HA 0.585 4.705 4.120 0.001 0.000 0.285 107 V C -0.414 175.448 176.094 -0.387 0.000 1.014 107 V CA -1.209 60.828 62.300 -0.438 0.000 0.831 107 V CB 0.885 32.573 31.823 -0.224 0.000 1.000 107 V HN 0.240 nan 8.190 nan 0.000 0.433 108 Y N 1.690 122.035 120.300 0.075 0.000 2.334 108 Y HA 0.466 5.016 4.550 0.001 0.000 0.328 108 Y C 0.484 176.435 175.900 0.086 0.000 1.130 108 Y CA -1.472 56.687 58.100 0.098 0.000 1.163 108 Y CB 0.851 39.371 38.460 0.099 0.000 1.207 108 Y HN 0.522 nan 8.280 nan 0.000 0.471 109 D N 2.608 123.168 120.400 0.266 0.000 2.441 109 D HA 0.064 4.705 4.640 0.001 0.000 0.221 109 D C 0.512 176.939 176.300 0.212 0.000 1.156 109 D CA -0.010 54.109 54.000 0.198 0.000 0.896 109 D CB 0.797 41.706 40.800 0.181 0.000 1.028 109 D HN 0.531 nan 8.370 nan 0.000 0.509 110 Q N 2.364 122.251 119.800 0.145 0.000 2.297 110 Q HA -0.118 4.222 4.340 0.001 0.000 0.204 110 Q C 1.327 177.369 176.000 0.069 0.000 0.962 110 Q CA 0.944 56.802 55.803 0.093 0.000 0.879 110 Q CB 0.198 28.972 28.738 0.060 0.000 0.947 110 Q HN 0.547 nan 8.270 nan 0.000 0.462 111 Q N -0.730 119.125 119.800 0.091 0.000 2.123 111 Q HA -0.114 4.226 4.340 0.001 0.000 0.199 111 Q C 1.667 177.732 176.000 0.108 0.000 0.966 111 Q CA 0.913 56.763 55.803 0.078 0.000 0.845 111 Q CB -0.380 28.404 28.738 0.076 0.000 0.907 111 Q HN 0.429 nan 8.270 nan 0.000 0.439 112 Y N 0.599 120.926 120.300 0.045 0.000 2.145 112 Y HA -0.169 4.382 4.550 0.001 0.000 0.286 112 Y C 1.487 177.429 175.900 0.070 0.000 1.145 112 Y CA 1.390 59.523 58.100 0.055 0.000 1.148 112 Y CB -0.248 38.249 38.460 0.061 0.000 0.981 112 Y HN 0.044 nan 8.280 nan 0.000 0.507 113 L N -0.021 121.139 121.223 -0.105 0.000 2.131 113 L HA -0.218 4.123 4.340 0.001 0.000 0.210 113 L C 2.065 178.854 176.870 -0.136 0.000 1.092 113 L CA 1.381 56.127 54.840 -0.157 0.000 0.759 113 L CB -0.669 41.370 42.059 -0.035 0.000 0.903 113 L HN 0.200 nan 8.230 nan 0.000 0.435 114 D N 0.233 120.578 120.400 -0.093 0.000 2.104 114 D HA -0.166 4.474 4.640 0.001 0.000 0.194 114 D C 2.348 178.592 176.300 -0.093 0.000 0.994 114 D CA 1.200 55.153 54.000 -0.080 0.000 0.830 114 D CB -0.117 40.662 40.800 -0.036 0.000 0.959 114 D HN 0.284 nan 8.370 nan 0.000 0.452 115 R N 0.342 120.778 120.500 -0.107 0.000 2.075 115 R HA -0.055 4.286 4.340 0.001 0.000 0.232 115 R C 2.457 178.638 176.300 -0.198 0.000 1.126 115 R CA 0.675 56.707 56.100 -0.114 0.000 0.963 115 R CB -0.466 29.811 30.300 -0.039 0.000 0.858 115 R HN 0.100 nan 8.270 nan 0.000 0.435 116 V N 1.290 121.047 119.914 -0.262 0.000 2.287 116 V HA -0.265 3.856 4.120 0.001 0.000 0.248 116 V C 2.304 178.301 176.094 -0.162 0.000 1.053 116 V CA 1.997 64.146 62.300 -0.251 0.000 1.027 116 V CB -0.532 31.152 31.823 -0.233 0.000 0.646 116 V HN 0.391 nan 8.190 nan 0.000 0.447 117 E N -0.043 120.192 120.200 0.059 0.000 2.085 117 E HA -0.281 4.070 4.350 0.001 0.000 0.194 117 E C 1.884 178.428 176.600 -0.094 0.000 0.994 117 E CA 1.594 58.056 56.400 0.103 0.000 0.801 117 E CB -0.081 29.593 29.700 -0.044 0.000 0.743 117 E HN 0.613 nan 8.360 nan 0.000 0.453 118 D N -0.041 120.250 120.400 -0.183 0.000 2.104 118 D HA -0.158 4.483 4.640 0.001 0.000 0.194 118 D C 2.061 177.957 176.300 -0.673 0.000 0.994 118 D CA 0.998 54.837 54.000 -0.269 0.000 0.830 118 D CB -0.152 40.534 40.800 -0.191 0.000 0.959 118 D HN 0.021 nan 8.370 nan 0.000 0.452 119 R N 0.323 120.308 120.500 -0.857 0.000 2.073 119 R HA -0.040 4.301 4.340 0.001 0.000 0.234 119 R C 2.441 178.366 176.300 -0.625 0.000 1.134 119 R CA 0.339 55.701 56.100 -1.230 0.000 0.952 119 R CB -0.987 28.768 30.300 -0.908 0.000 0.850 119 R HN 0.082 nan 8.270 nan 0.000 0.433 120 V N 0.119 119.763 119.914 -0.451 0.000 2.380 120 V HA -0.221 3.899 4.120 0.001 0.000 0.251 120 V C 2.253 178.345 176.094 -0.004 0.000 1.063 120 V CA 2.162 64.350 62.300 -0.187 0.000 1.055 120 V CB -1.162 30.568 31.823 -0.155 0.000 0.657 120 V HN 0.569 nan 8.190 nan 0.000 0.455 121 G N -0.899 107.868 108.800 -0.055 0.000 2.442 121 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 121 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 121 G C 1.213 176.218 174.900 0.174 0.000 1.141 121 G CA 0.884 46.017 45.100 0.056 0.000 0.763 121 G HN 0.537 nan 8.290 nan 0.000 0.554 122 W N 0.225 121.500 121.300 -0.042 0.000 2.355 122 W HA 0.032 4.693 4.660 0.002 0.000 0.309 122 W C 2.294 178.701 176.519 -0.187 0.000 1.206 122 W CA 0.363 57.621 57.345 -0.145 0.000 1.284 122 W CB -1.534 27.773 29.460 -0.256 0.000 1.145 122 W HN 0.283 nan 8.180 nan 0.000 0.502 123 Y N 0.584 120.963 120.300 0.132 0.000 2.145 123 Y HA -0.137 4.414 4.550 0.001 0.000 0.286 123 Y C 2.722 178.722 175.900 0.166 0.000 1.145 123 Y CA 2.140 60.254 58.100 0.024 0.000 1.148 123 Y CB -1.419 37.000 38.460 -0.067 0.000 0.981 123 Y HN -0.088 nan 8.280 nan 0.000 0.507 124 A N 0.076 123.056 122.820 0.265 0.000 1.908 124 A HA -0.304 4.017 4.320 0.001 0.000 0.218 124 A C 2.158 179.832 177.584 0.150 0.000 1.181 124 A CA 2.028 54.181 52.037 0.193 0.000 0.627 124 A CB -0.852 18.233 19.000 0.141 0.000 0.818 124 A HN 0.560 nan 8.150 nan 0.000 0.445 125 E N -0.464 119.813 120.200 0.128 0.000 2.204 125 E HA -0.172 4.179 4.350 0.001 0.000 0.195 125 E C 1.539 178.164 176.600 0.040 0.000 0.990 125 E CA 0.993 57.438 56.400 0.075 0.000 0.821 125 E CB -0.014 29.723 29.700 0.062 0.000 0.750 125 E HN 0.603 nan 8.360 nan 0.000 0.477 126 R N -1.304 119.243 120.500 0.077 0.000 2.468 126 R HA 0.185 4.525 4.340 0.001 0.000 0.280 126 R C 0.694 176.974 176.300 -0.034 0.000 0.963 126 R CA 0.450 56.532 56.100 -0.029 0.000 1.083 126 R CB 1.014 31.310 30.300 -0.006 0.000 1.200 126 R HN 0.229 nan 8.270 nan 0.000 0.541 127 G N 0.477 109.329 108.800 0.086 0.000 2.147 127 G HA2 -0.317 3.644 3.960 0.001 0.000 0.244 127 G HA3 -0.317 3.644 3.960 0.001 0.000 0.244 127 G C -0.298 174.654 174.900 0.087 0.000 1.005 127 G CA -0.159 44.970 45.100 0.048 0.000 0.713 127 G HN 0.255 nan 8.290 nan 0.000 0.515 128 Y N 0.330 120.712 120.300 0.138 0.000 2.301 128 Y HA 0.579 5.129 4.550 0.001 0.000 0.328 128 Y C 1.002 177.013 175.900 0.185 0.000 1.242 128 Y CA -0.245 57.989 58.100 0.223 0.000 1.323 128 Y CB 0.788 39.467 38.460 0.365 0.000 1.266 128 Y HN -0.083 nan 8.280 nan 0.000 0.527 129 K N 1.477 122.094 120.400 0.360 0.000 2.123 129 K HA 0.591 4.912 4.320 0.001 0.000 0.259 129 K C -1.209 175.555 176.600 0.272 0.000 0.960 129 K CA -0.767 55.694 56.287 0.290 0.000 0.872 129 K CB 2.005 34.661 32.500 0.261 0.000 1.079 129 K HN 0.359 nan 8.250 nan 0.000 0.440 130 V N 3.075 123.061 119.914 0.119 0.000 2.495 130 V HA 0.418 4.539 4.120 0.001 0.000 0.298 130 V C -0.238 175.860 176.094 0.007 0.000 1.031 130 V CA -0.847 61.404 62.300 -0.082 0.000 0.871 130 V CB 1.708 33.416 31.823 -0.192 0.000 0.988 130 V HN 0.721 nan 8.190 nan 0.000 0.432 131 M N 5.952 125.514 119.600 -0.063 0.000 2.101 131 M HA 0.542 5.023 4.480 0.001 0.000 0.340 131 M C -1.284 175.078 176.300 0.104 0.000 1.057 131 M CA -0.468 54.889 55.300 0.095 0.000 0.984 131 M CB 0.842 33.580 32.600 0.229 0.000 1.560 131 M HN 0.530 nan 8.290 nan 0.000 0.435 132 L N 4.347 125.706 121.223 0.226 0.000 2.313 132 L HA 0.292 4.633 4.340 0.001 0.000 0.282 132 L C -0.386 176.757 176.870 0.454 0.000 1.092 132 L CA -0.378 54.647 54.840 0.308 0.000 0.831 132 L CB 0.582 42.836 42.059 0.324 0.000 1.159 132 L HN 0.637 nan 8.230 nan 0.000 0.442 133 D N 4.698 125.309 120.400 0.353 0.000 2.414 133 D HA 0.215 4.855 4.640 0.001 0.000 0.232 133 D C -0.344 176.172 176.300 0.360 0.000 1.070 133 D CA -0.594 53.647 54.000 0.402 0.000 0.839 133 D CB 1.375 42.391 40.800 0.359 0.000 1.079 133 D HN 0.261 nan 8.370 nan 0.000 0.521 134 M N 4.632 124.491 119.600 0.433 0.000 2.618 134 M HA 0.180 4.660 4.480 0.001 0.000 0.322 134 M C -1.148 175.331 176.300 0.298 0.000 1.471 134 M CA -0.056 55.382 55.300 0.229 0.000 1.450 134 M CB -0.410 32.264 32.600 0.123 0.000 1.444 134 M HN 0.415 nan 8.290 nan 0.000 0.471 135 H N 2.884 122.047 119.070 0.155 0.000 2.502 135 H HA 0.588 5.145 4.556 0.001 0.000 0.327 135 H C -0.789 174.599 175.328 0.101 0.000 1.099 135 H CA -0.094 56.045 56.048 0.152 0.000 1.323 135 H CB 0.766 30.599 29.762 0.117 0.000 1.450 135 H HN 0.688 nan 8.280 nan 0.000 0.502 136 Q N 1.973 121.719 119.800 -0.089 0.000 2.416 136 Q HA 0.477 4.818 4.340 0.001 0.000 0.281 136 Q C -1.856 174.123 176.000 -0.035 0.000 1.067 136 Q CA -0.975 54.822 55.803 -0.010 0.000 0.809 136 Q CB 2.146 30.879 28.738 -0.009 0.000 1.418 136 Q HN 0.594 nan 8.270 nan 0.000 0.411 137 D N 0.460 120.869 120.400 0.014 0.000 2.863 137 D HA 0.475 5.116 4.640 0.001 0.000 0.245 137 D C -0.854 175.410 176.300 -0.060 0.000 1.211 137 D CA -0.733 53.290 54.000 0.040 0.000 0.888 137 D CB 2.149 42.847 40.800 -0.170 0.000 1.483 137 D HN 0.554 nan 8.370 nan 0.000 0.533 138 V N 2.677 122.465 119.914 -0.210 0.000 5.487 138 V HA -0.381 3.740 4.120 0.001 0.000 0.302 138 V C 0.734 176.866 176.094 0.064 0.000 0.511 138 V CA 1.464 63.544 62.300 -0.367 0.000 0.684 138 V CB -2.688 28.879 31.823 -0.427 0.000 0.458 138 V HN 0.948 nan 8.190 nan 0.000 1.195 139 Y N -1.366 118.953 120.300 0.032 0.000 2.740 139 Y HA -0.405 4.146 4.550 0.001 0.000 0.482 139 Y C 0.878 176.620 175.900 -0.264 0.000 1.156 139 Y CA 2.873 60.776 58.100 -0.328 0.000 2.839 139 Y CB -1.073 36.928 38.460 -0.765 0.000 0.979 139 Y HN 1.407 nan 8.280 nan 0.000 0.561 140 S N -1.088 114.523 115.700 -0.149 0.000 2.565 140 S HA 0.516 4.986 4.470 0.001 0.000 0.274 140 S C 0.524 175.024 174.600 -0.167 0.000 1.144 140 S CA -0.106 57.962 58.200 -0.219 0.000 0.849 140 S CB 0.910 63.983 63.200 -0.211 0.000 1.103 140 S HN 1.043 nan 8.310 nan 0.000 0.455 141 G N 1.467 110.155 108.800 -0.187 0.000 2.470 141 G HA2 0.054 4.015 3.960 0.001 0.000 0.220 141 G HA3 0.054 4.015 3.960 0.001 0.000 0.220 141 G C 1.237 176.047 174.900 -0.151 0.000 1.121 141 G CA 0.883 45.883 45.100 -0.168 0.000 0.766 141 G HN 1.193 nan 8.290 nan 0.000 0.553 142 A N 0.875 123.601 122.820 -0.156 0.000 2.235 142 A HA 0.243 4.564 4.320 0.001 0.000 0.208 142 A C 2.158 179.678 177.584 -0.107 0.000 1.172 142 A CA 0.737 52.690 52.037 -0.139 0.000 0.786 142 A CB -0.483 18.411 19.000 -0.176 0.000 0.804 142 A HN 0.688 nan 8.150 nan 0.000 0.479 143 I N -2.418 118.096 120.570 -0.094 0.000 2.676 143 I HA 0.041 4.211 4.170 0.001 0.000 0.259 143 I C 0.795 176.889 176.117 -0.038 0.000 1.194 143 I CA 1.094 62.358 61.300 -0.059 0.000 1.473 143 I CB -0.434 37.541 38.000 -0.042 0.000 1.096 143 I HN 0.251 nan 8.210 nan 0.000 0.443 144 T N -1.100 113.418 114.554 -0.060 0.000 2.909 144 T HA 0.685 5.036 4.350 0.001 0.000 0.299 144 T C -2.445 172.225 174.700 -0.051 0.000 1.073 144 T CA -1.429 60.650 62.100 -0.035 0.000 0.999 144 T CB 1.708 70.563 68.868 -0.023 0.000 1.098 144 T HN -0.084 nan 8.240 nan 0.000 0.477 156 I N 1.015 121.432 120.570 -0.254 0.000 2.681 156 I HA 0.241 4.412 4.170 0.001 0.000 0.247 156 I C 1.793 177.714 176.117 -0.326 0.000 1.091 156 I CA 1.676 62.753 61.300 -0.370 0.000 1.442 156 I CB -1.572 36.016 38.000 -0.687 0.000 1.219 156 I HN 0.405 nan 8.210 nan 0.000 0.451 157 G N 1.130 109.760 108.800 -0.283 0.000 2.543 157 G HA2 0.423 4.383 3.960 0.001 0.000 0.290 157 G HA3 0.423 4.383 3.960 0.001 0.000 0.290 157 G C -0.711 174.075 174.900 -0.190 0.000 1.310 157 G CA -0.235 44.731 45.100 -0.224 0.000 1.025 157 G HN 0.581 nan 8.290 nan 0.000 0.502 158 N N -3.162 115.443 118.700 -0.159 0.000 2.745 158 N HA 0.609 5.349 4.740 0.001 0.000 0.256 158 N C 0.106 175.535 175.510 -0.135 0.000 1.268 158 N CA 0.090 53.056 53.050 -0.139 0.000 0.887 158 N CB 1.626 40.053 38.487 -0.100 0.000 1.575 158 N HN 1.365 nan 8.380 nan 0.000 0.496 159 G N -0.069 108.637 108.800 -0.156 0.000 2.083 159 G HA2 0.264 4.225 3.960 0.001 0.000 0.199 159 G HA3 0.264 4.225 3.960 0.001 0.000 0.199 159 G C -0.394 174.366 174.900 -0.233 0.000 2.367 159 G CA 0.086 45.101 45.100 -0.141 0.000 1.555 159 G HN 1.223 nan 8.290 nan 0.000 0.490 160 A N 3.361 125.899 122.820 -0.469 0.000 2.407 160 A HA 0.690 5.011 4.320 0.001 0.000 0.248 160 A C -1.643 175.474 177.584 -0.779 0.000 1.082 160 A CA -0.235 51.363 52.037 -0.731 0.000 0.785 160 A CB 0.054 18.357 19.000 -1.163 0.000 1.020 160 A HN 0.456 nan 8.150 nan 0.000 0.489 161 P HA 0.199 nan 4.420 nan 0.000 0.274 161 P C 0.738 177.534 177.300 -0.840 0.000 1.246 161 P CA 0.424 62.988 63.100 -0.894 0.000 0.795 161 P CB 0.911 31.959 31.700 -1.087 0.000 1.006 162 A N 2.854 125.369 122.820 -0.508 0.000 1.908 162 A HA -0.169 4.152 4.320 0.001 0.000 0.218 162 A C 2.042 179.375 177.584 -0.418 0.000 1.181 162 A CA 1.697 53.510 52.037 -0.374 0.000 0.627 162 A CB -1.850 17.023 19.000 -0.211 0.000 0.818 162 A HN 0.840 nan 8.150 nan 0.000 0.445 163 W N -1.046 120.045 121.300 -0.349 0.000 2.421 163 W HA 0.095 4.756 4.660 0.002 0.000 0.270 163 W C 1.485 177.719 176.519 -0.475 0.000 1.233 163 W CA 0.941 58.069 57.345 -0.361 0.000 1.226 163 W CB -0.677 28.628 29.460 -0.259 0.000 1.121 163 W HN 0.402 nan 8.180 nan 0.000 0.579 164 A N 0.919 123.065 122.820 -1.123 0.000 2.275 164 A HA 0.181 4.502 4.320 0.001 0.000 0.212 164 A C 0.532 177.829 177.584 -0.478 0.000 1.201 164 A CA 0.445 51.927 52.037 -0.925 0.000 0.843 164 A CB -0.549 17.455 19.000 -1.661 0.000 0.873 164 A HN 0.071 nan 8.150 nan 0.000 0.492 165 T N 0.688 114.890 114.554 -0.587 0.000 2.781 165 T HA 0.466 4.817 4.350 0.001 0.000 0.305 165 T C -1.304 173.059 174.700 -0.561 0.000 1.001 165 T CA 0.144 62.028 62.100 -0.359 0.000 0.950 165 T CB -0.151 68.579 68.868 -0.231 0.000 0.955 165 T HN 0.236 nan 8.240 nan 0.000 0.471 166 Y N 3.054 123.200 120.300 -0.256 0.000 2.712 166 Y HA 0.356 4.907 4.550 0.001 0.000 0.328 166 Y C 1.140 176.951 175.900 -0.149 0.000 0.995 166 Y CA -0.824 57.163 58.100 -0.190 0.000 1.283 166 Y CB 0.774 39.071 38.460 -0.273 0.000 1.092 166 Y HN 0.584 nan 8.280 nan 0.000 0.519 167 M N 0.497 120.097 119.600 -0.001 0.000 2.502 167 M HA 0.029 4.510 4.480 0.001 0.000 0.243 167 M C -0.135 176.193 176.300 0.047 0.000 1.130 167 M CA 0.446 55.745 55.300 -0.000 0.000 1.055 167 M CB 0.234 32.819 32.600 -0.025 0.000 1.457 167 M HN 0.529 nan 8.290 nan 0.000 0.488 168 D N 1.147 121.598 120.400 0.085 0.000 2.772 168 D HA -0.173 4.467 4.640 0.001 0.000 0.233 168 D C 1.046 177.380 176.300 0.057 0.000 1.143 168 D CA 1.313 55.366 54.000 0.090 0.000 0.700 168 D CB -1.811 39.045 40.800 0.093 0.000 1.076 168 D HN 0.708 nan 8.370 nan 0.000 0.430 169 G N -1.311 107.514 108.800 0.042 0.000 2.189 169 G HA2 -0.354 3.607 3.960 0.001 0.000 0.267 169 G HA3 -0.354 3.607 3.960 0.001 0.000 0.267 169 G C 0.431 175.347 174.900 0.027 0.000 0.975 169 G CA 0.498 45.615 45.100 0.030 0.000 0.644 169 G HN 0.518 nan 8.290 nan 0.000 0.537 170 L N 2.338 123.579 121.223 0.031 0.000 2.397 170 L HA 0.370 4.711 4.340 0.001 0.000 0.271 170 L C -1.084 175.803 176.870 0.028 0.000 1.148 170 L CA -1.830 53.029 54.840 0.031 0.000 0.825 170 L CB 0.590 42.673 42.059 0.039 0.000 1.117 170 L HN 0.012 nan 8.230 nan 0.000 0.456 171 P HA 0.093 nan 4.420 nan 0.000 0.274 171 P C -0.927 176.394 177.300 0.034 0.000 1.231 171 P CA -0.215 62.900 63.100 0.025 0.000 0.790 171 P CB 1.306 33.016 31.700 0.017 0.000 0.951 172 V N 2.289 122.229 119.914 0.044 0.000 2.454 172 V HA 0.159 4.279 4.120 0.001 0.000 0.267 172 V C 0.213 176.350 176.094 0.071 0.000 0.993 172 V CA -0.508 61.837 62.300 0.074 0.000 0.836 172 V CB 0.754 32.650 31.823 0.122 0.000 1.055 172 V HN 0.468 nan 8.190 nan 0.000 0.452 173 E N 3.896 124.095 120.200 -0.001 0.000 2.343 173 E HA 0.361 4.712 4.350 0.001 0.000 0.269 173 E C -2.460 174.084 176.600 -0.094 0.000 1.047 173 E CA -2.113 54.275 56.400 -0.021 0.000 0.874 173 E CB 1.200 30.877 29.700 -0.039 0.000 1.033 173 E HN 0.290 nan 8.360 nan 0.000 0.409 174 P HA -0.016 nan 4.420 nan 0.000 0.265 174 P C -0.454 176.721 177.300 -0.208 0.000 1.193 174 P CA 0.394 63.486 63.100 -0.014 0.000 0.765 174 P CB 0.535 32.273 31.700 0.063 0.000 0.823 175 Q N 3.619 123.189 119.800 -0.383 0.000 2.399 175 Q HA 0.314 4.655 4.340 0.001 0.000 0.276 175 Q C -1.610 174.338 176.000 -0.087 0.000 1.098 175 Q CA -1.874 53.730 55.803 -0.331 0.000 0.827 175 Q CB 0.869 29.245 28.738 -0.603 0.000 1.386 175 Q HN 0.300 nan 8.270 nan 0.000 0.443 176 P HA -0.004 nan 4.420 nan 0.000 0.233 176 P C -0.473 176.846 177.300 0.031 0.000 1.167 176 P CA 0.772 63.872 63.100 -0.000 0.000 0.770 176 P CB 0.730 32.420 31.700 -0.018 0.000 0.837 177 R N -0.735 119.777 120.500 0.020 0.000 2.651 177 R HA 0.193 4.534 4.340 0.001 0.000 0.278 177 R C 1.130 177.491 176.300 0.101 0.000 1.010 177 R CA -0.853 55.264 56.100 0.028 0.000 0.896 177 R CB 0.767 31.011 30.300 -0.093 0.000 1.211 177 R HN 0.019 nan 8.270 nan 0.000 0.456 178 W N 2.508 123.882 121.300 0.123 0.000 2.342 178 W HA -0.177 4.484 4.660 0.001 0.000 0.297 178 W C 0.202 176.804 176.519 0.138 0.000 1.213 178 W CA 1.464 58.900 57.345 0.152 0.000 1.251 178 W CB -0.319 29.125 29.460 -0.026 0.000 1.136 178 W HN 0.629 nan 8.180 nan 0.000 0.526 179 E N 1.280 121.024 120.200 -0.760 0.000 2.160 179 E HA -0.146 4.205 4.350 0.001 0.000 0.195 179 E C 2.296 178.797 176.600 -0.166 0.000 0.991 179 E CA 1.741 57.725 56.400 -0.694 0.000 0.810 179 E CB -0.712 28.477 29.700 -0.851 0.000 0.742 179 E HN 0.306 nan 8.360 nan 0.000 0.466 180 L N -0.303 120.840 121.223 -0.132 0.000 2.362 180 L HA -0.123 4.218 4.340 0.001 0.000 0.219 180 L C 1.491 178.305 176.870 -0.094 0.000 1.134 180 L CA 0.603 55.380 54.840 -0.106 0.000 0.807 180 L CB -0.237 41.732 42.059 -0.151 0.000 0.927 180 L HN 0.228 nan 8.230 nan 0.000 0.447 181 Y N -1.678 118.579 120.300 -0.073 0.000 2.333 181 Y HA -0.263 4.288 4.550 0.001 0.000 0.290 181 Y C 2.259 178.108 175.900 -0.085 0.000 1.144 181 Y CA 1.267 59.326 58.100 -0.069 0.000 1.228 181 Y CB -0.490 37.925 38.460 -0.075 0.000 0.985 181 Y HN 0.063 nan 8.280 nan 0.000 0.542 182 Y N 0.062 120.345 120.300 -0.028 0.000 2.193 182 Y HA -0.254 4.297 4.550 0.001 0.000 0.285 182 Y C 2.157 177.982 175.900 -0.125 0.000 1.166 182 Y CA 1.654 59.572 58.100 -0.304 0.000 1.181 182 Y CB -0.598 37.358 38.460 -0.840 0.000 0.976 182 Y HN 0.251 nan 8.280 nan 0.000 0.520 183 I N -2.172 118.469 120.570 0.119 0.000 3.883 183 I HA 0.142 4.313 4.170 0.001 0.000 0.326 183 I C 0.091 176.269 176.117 0.101 0.000 1.283 183 I CA -0.224 61.166 61.300 0.151 0.000 1.161 183 I CB -0.158 37.904 38.000 0.103 0.000 1.012 183 I HN -0.143 nan 8.210 nan 0.000 0.421 184 Q N 2.176 122.022 119.800 0.077 0.000 2.392 184 Q HA 0.198 4.539 4.340 0.001 0.000 0.262 184 Q C -1.578 174.475 176.000 0.088 0.000 1.003 184 Q CA -1.897 53.937 55.803 0.051 0.000 0.888 184 Q CB 0.538 29.293 28.738 0.028 0.000 1.260 184 Q HN 0.068 nan 8.270 nan 0.000 0.435 185 P HA -0.172 nan 4.420 nan 0.000 0.216 185 P C 1.082 178.428 177.300 0.077 0.000 1.153 185 P CA 1.886 65.027 63.100 0.068 0.000 0.858 185 P CB 0.165 31.892 31.700 0.045 0.000 0.789 186 G N -0.670 108.169 108.800 0.064 0.000 2.408 186 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 186 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 186 G C 1.576 176.507 174.900 0.051 0.000 1.150 186 G CA 0.643 45.772 45.100 0.048 0.000 0.776 186 G HN 0.170 nan 8.290 nan 0.000 0.542 187 V N 1.258 121.234 119.914 0.105 0.000 2.379 187 V HA -0.113 4.008 4.120 0.001 0.000 0.245 187 V C 2.934 179.222 176.094 0.324 0.000 1.044 187 V CA 1.471 63.873 62.300 0.168 0.000 1.036 187 V CB -0.327 31.628 31.823 0.219 0.000 0.664 187 V HN 0.262 nan 8.190 nan 0.000 0.453 188 M N -0.089 119.700 119.600 0.314 0.000 2.108 188 M HA -0.192 4.289 4.480 0.001 0.000 0.261 188 M C 2.373 178.819 176.300 0.244 0.000 1.066 188 M CA 1.840 57.346 55.300 0.344 0.000 1.107 188 M CB -1.169 31.569 32.600 0.230 0.000 1.356 188 M HN 0.281 nan 8.290 nan 0.000 0.406 189 R N 0.909 121.494 120.500 0.141 0.000 2.075 189 R HA 0.014 4.355 4.340 0.001 0.000 0.232 189 R C 2.139 178.453 176.300 0.023 0.000 1.126 189 R CA 1.954 58.107 56.100 0.089 0.000 0.963 189 R CB -0.941 29.398 30.300 0.065 0.000 0.858 189 R HN 0.307 nan 8.270 nan 0.000 0.435 190 A N -0.262 122.496 122.820 -0.103 0.000 1.892 190 A HA -0.164 4.157 4.320 0.001 0.000 0.218 190 A C 2.145 179.378 177.584 -0.585 0.000 1.188 190 A CA 1.750 53.507 52.037 -0.467 0.000 0.631 190 A CB -0.892 17.647 19.000 -0.768 0.000 0.822 190 A HN 0.390 nan 8.150 nan 0.000 0.447 191 F N 0.350 120.170 119.950 -0.218 0.000 2.113 191 F HA -0.114 4.414 4.527 0.001 0.000 0.297 191 F C 2.143 178.050 175.800 0.178 0.000 1.103 191 F CA 1.655 59.668 58.000 0.022 0.000 1.248 191 F CB -0.422 38.769 39.000 0.318 0.000 0.999 191 F HN 0.185 nan 8.300 nan 0.000 0.475 192 D N -0.089 120.517 120.400 0.343 0.000 2.149 192 D HA -0.175 4.465 4.640 0.001 0.000 0.198 192 D C 1.943 178.380 176.300 0.229 0.000 0.990 192 D CA 1.068 55.236 54.000 0.281 0.000 0.839 192 D CB -0.456 40.450 40.800 0.176 0.000 0.948 192 D HN 0.192 nan 8.370 nan 0.000 0.460 193 N N -0.107 118.684 118.700 0.151 0.000 2.106 193 N HA -0.124 4.617 4.740 0.001 0.000 0.188 193 N C 1.719 177.310 175.510 0.135 0.000 1.029 193 N CA 0.326 53.466 53.050 0.149 0.000 0.848 193 N CB -0.561 37.977 38.487 0.084 0.000 1.007 193 N HN 0.184 nan 8.380 nan 0.000 0.423 194 F N 0.469 120.372 119.950 -0.079 0.000 2.091 194 F HA -0.188 4.340 4.527 0.002 0.000 0.299 194 F C 1.567 177.287 175.800 -0.134 0.000 1.103 194 F CA 1.580 59.499 58.000 -0.136 0.000 1.228 194 F CB -0.521 38.314 39.000 -0.276 0.000 0.984 194 F HN 0.069 nan 8.300 nan 0.000 0.477 195 W N 0.220 121.658 121.300 0.229 0.000 3.077 195 W HA 0.055 4.715 4.660 0.001 0.000 0.245 195 W C 1.033 177.579 176.519 0.045 0.000 1.316 195 W CA 0.419 57.832 57.345 0.114 0.000 1.537 195 W CB -0.680 28.930 29.460 0.249 0.000 1.131 195 W HN 0.130 nan 8.180 nan 0.000 0.695 196 N N -0.247 118.574 118.700 0.202 0.000 2.714 196 N HA -0.220 4.521 4.740 0.001 0.000 0.250 196 N C 0.614 176.215 175.510 0.152 0.000 1.117 196 N CA 1.540 54.679 53.050 0.148 0.000 0.719 196 N CB -1.329 37.216 38.487 0.097 0.000 1.081 196 N HN 0.051 nan 8.380 nan 0.000 0.557 197 T N -1.932 112.741 114.554 0.198 0.000 2.833 197 T HA -0.161 4.190 4.350 0.001 0.000 0.269 197 T C 1.828 176.587 174.700 0.098 0.000 1.054 197 T CA 2.049 64.235 62.100 0.144 0.000 1.135 197 T CB -0.451 68.512 68.868 0.158 0.000 0.869 197 T HN 0.680 nan 8.240 nan 0.000 0.466 198 T N -0.927 113.689 114.554 0.103 0.000 3.035 198 T HA 0.257 4.608 4.350 0.001 0.000 0.268 198 T C 1.966 176.687 174.700 0.035 0.000 1.109 198 T CA 1.019 63.160 62.100 0.068 0.000 1.119 198 T CB -0.473 68.444 68.868 0.082 0.000 0.900 198 T HN 0.540 nan 8.240 nan 0.000 0.503 199 G N 1.537 110.360 108.800 0.037 0.000 2.184 199 G HA2 -0.294 3.667 3.960 0.001 0.000 0.264 199 G HA3 -0.294 3.667 3.960 0.001 0.000 0.264 199 G C 0.818 175.690 174.900 -0.047 0.000 0.975 199 G CA 0.541 45.644 45.100 0.006 0.000 0.642 199 G HN 0.582 nan 8.290 nan 0.000 0.536 200 K N -0.465 119.882 120.400 -0.088 0.000 2.352 200 K HA 0.151 4.472 4.320 0.001 0.000 0.194 200 K C 0.309 176.564 176.600 -0.575 0.000 1.038 200 K CA 0.239 56.346 56.287 -0.300 0.000 1.023 200 K CB 0.387 32.689 32.500 -0.330 0.000 0.840 200 K HN 0.530 nan 8.250 nan 0.000 0.519 201 H N 0.638 119.671 119.070 -0.061 0.000 2.511 201 H HA 0.138 4.694 4.556 0.001 0.000 0.228 201 H C -2.151 173.180 175.328 0.005 0.000 1.424 201 H CA -1.478 54.538 56.048 -0.054 0.000 1.321 201 H CB 1.081 30.784 29.762 -0.098 0.000 1.720 201 H HN 0.004 nan 8.280 nan 0.000 0.512 202 P HA -0.161 nan 4.420 nan 0.000 0.225 202 P C 1.454 178.825 177.300 0.118 0.000 1.148 202 P CA 0.993 64.139 63.100 0.076 0.000 0.779 202 P CB 0.441 32.172 31.700 0.051 0.000 0.780 203 E N 0.790 121.104 120.200 0.190 0.000 2.274 203 E HA -0.106 4.245 4.350 0.001 0.000 0.194 203 E C 1.999 178.857 176.600 0.430 0.000 0.996 203 E CA 0.635 57.220 56.400 0.309 0.000 0.840 203 E CB -1.182 28.750 29.700 0.387 0.000 0.772 203 E HN 0.283 nan 8.360 nan 0.000 0.491 204 L N 0.737 122.147 121.223 0.311 0.000 2.027 204 L HA -0.130 4.211 4.340 0.001 0.000 0.206 204 L C 2.748 179.704 176.870 0.144 0.000 1.074 204 L CA 1.000 56.042 54.840 0.336 0.000 0.745 204 L CB -0.415 41.769 42.059 0.208 0.000 0.898 204 L HN -0.005 nan 8.230 nan 0.000 0.433 205 V N -0.196 119.600 119.914 -0.197 0.000 2.407 205 V HA -0.271 3.850 4.120 0.001 0.000 0.248 205 V C 2.488 178.656 176.094 0.123 0.000 1.055 205 V CA 1.828 64.016 62.300 -0.187 0.000 1.049 205 V CB -0.362 31.345 31.823 -0.193 0.000 0.662 205 V HN 0.420 nan 8.190 nan 0.000 0.455 206 E N -0.326 119.969 120.200 0.159 0.000 2.051 206 E HA -0.222 4.129 4.350 0.001 0.000 0.192 206 E C 2.221 178.954 176.600 0.222 0.000 0.991 206 E CA 1.590 58.088 56.400 0.164 0.000 0.799 206 E CB -0.305 29.465 29.700 0.117 0.000 0.748 206 E HN 0.669 nan 8.360 nan 0.000 0.449 207 H N -1.380 117.892 119.070 0.337 0.000 2.352 207 H HA -0.167 4.390 4.556 0.002 0.000 0.299 207 H C 1.923 177.501 175.328 0.418 0.000 1.097 207 H CA 1.725 58.072 56.048 0.498 0.000 1.311 207 H CB -0.325 29.937 29.762 0.833 0.000 1.377 207 H HN 0.306 nan 8.280 nan 0.000 0.504 208 Y N 1.160 121.576 120.300 0.193 0.000 2.114 208 Y HA -0.235 4.316 4.550 0.001 0.000 0.284 208 Y C 2.759 178.659 175.900 -0.000 0.000 1.143 208 Y CA 1.546 59.478 58.100 -0.280 0.000 1.135 208 Y CB -0.460 37.809 38.460 -0.317 0.000 0.980 208 Y HN 0.158 nan 8.280 nan 0.000 0.499 209 A N 0.240 123.211 122.820 0.252 0.000 1.883 209 A HA -0.257 4.064 4.320 0.001 0.000 0.217 209 A C 2.175 179.845 177.584 0.142 0.000 1.186 209 A CA 2.296 54.461 52.037 0.214 0.000 0.624 209 A CB -0.610 18.505 19.000 0.191 0.000 0.822 209 A HN 0.540 nan 8.150 nan 0.000 0.444 210 K N -0.505 119.980 120.400 0.141 0.000 2.217 210 K HA 0.105 4.425 4.320 0.001 0.000 0.202 210 K C 2.214 178.815 176.600 0.001 0.000 1.051 210 K CA 0.766 57.120 56.287 0.111 0.000 0.952 210 K CB -0.229 32.379 32.500 0.180 0.000 0.736 210 K HN 0.449 nan 8.250 nan 0.000 0.453 211 A N 0.640 123.496 122.820 0.060 0.000 1.898 211 A HA -0.158 4.163 4.320 0.001 0.000 0.216 211 A C 1.800 179.219 177.584 -0.276 0.000 1.181 211 A CA 0.972 52.956 52.037 -0.089 0.000 0.620 211 A CB -0.804 18.234 19.000 0.063 0.000 0.819 211 A HN 0.453 nan 8.150 nan 0.000 0.442 212 W N -0.240 120.882 121.300 -0.297 0.000 2.358 212 W HA -0.135 4.526 4.660 0.001 0.000 0.303 212 W C 2.633 178.998 176.519 -0.258 0.000 1.208 212 W CA 1.555 58.724 57.345 -0.292 0.000 1.274 212 W CB -0.013 29.285 29.460 -0.269 0.000 1.138 212 W HN 0.301 nan 8.180 nan 0.000 0.515 213 R N 0.433 120.972 120.500 0.064 0.000 2.091 213 R HA -0.201 4.140 4.340 0.001 0.000 0.238 213 R C 2.205 178.449 176.300 -0.093 0.000 1.136 213 R CA 1.794 57.891 56.100 -0.005 0.000 0.959 213 R CB -0.604 29.693 30.300 -0.005 0.000 0.856 213 R HN 0.147 nan 8.270 nan 0.000 0.437 214 A N 0.152 122.811 122.820 -0.269 0.000 1.883 214 A HA -0.128 4.192 4.320 0.001 0.000 0.217 214 A C 2.263 179.755 177.584 -0.153 0.000 1.186 214 A CA 1.746 53.571 52.037 -0.353 0.000 0.624 214 A CB -0.625 17.847 19.000 -0.880 0.000 0.822 214 A HN 0.231 nan 8.150 nan 0.000 0.444 215 V N -0.157 119.689 119.914 -0.114 0.000 2.295 215 V HA -0.255 3.866 4.120 0.001 0.000 0.246 215 V C 3.047 179.230 176.094 0.148 0.000 1.049 215 V CA 2.020 64.342 62.300 0.037 0.000 1.024 215 V CB -1.287 30.468 31.823 -0.112 0.000 0.648 215 V HN 0.621 nan 8.190 nan 0.000 0.447 216 A N -0.238 122.600 122.820 0.030 0.000 1.972 216 A HA -0.271 4.050 4.320 0.001 0.000 0.219 216 A C 2.052 179.721 177.584 0.142 0.000 1.169 216 A CA 1.962 54.036 52.037 0.062 0.000 0.635 216 A CB -0.637 18.352 19.000 -0.018 0.000 0.810 216 A HN 0.557 nan 8.150 nan 0.000 0.446 217 D N -0.525 119.904 120.400 0.049 0.000 2.144 217 D HA -0.170 4.471 4.640 0.001 0.000 0.199 217 D C 2.099 178.386 176.300 -0.022 0.000 0.984 217 D CA 1.293 55.303 54.000 0.017 0.000 0.834 217 D CB -0.089 40.701 40.800 -0.017 0.000 0.955 217 D HN 0.309 nan 8.370 nan 0.000 0.465 218 R N -0.819 119.630 120.500 -0.085 0.000 2.092 218 R HA 0.005 4.345 4.340 0.001 0.000 0.231 218 R C 1.505 177.551 176.300 -0.425 0.000 1.119 218 R CA 1.241 57.150 56.100 -0.318 0.000 0.970 218 R CB -0.651 29.330 30.300 -0.531 0.000 0.864 218 R HN 0.192 nan 8.270 nan 0.000 0.440 219 F N -0.439 119.574 119.950 0.104 0.000 2.695 219 F HA 0.428 4.956 4.527 0.001 0.000 0.303 219 F C 1.798 177.706 175.800 0.179 0.000 1.091 219 F CA 0.192 58.284 58.000 0.154 0.000 1.300 219 F CB 0.018 39.164 39.000 0.243 0.000 1.071 219 F HN 0.091 nan 8.300 nan 0.000 0.578 220 A N -0.220 122.760 122.820 0.266 0.000 1.940 220 A HA -0.183 4.138 4.320 0.001 0.000 0.219 220 A C 1.590 179.259 177.584 0.142 0.000 1.176 220 A CA 2.052 54.216 52.037 0.211 0.000 0.631 220 A CB -0.433 18.652 19.000 0.143 0.000 0.814 220 A HN 0.196 nan 8.150 nan 0.000 0.446 221 D N -0.399 120.063 120.400 0.104 0.000 2.388 221 D HA 0.045 4.686 4.640 0.001 0.000 0.221 221 D C -0.173 176.181 176.300 0.090 0.000 1.133 221 D CA -0.103 53.943 54.000 0.077 0.000 0.831 221 D CB -0.190 40.635 40.800 0.042 0.000 0.962 221 D HN 0.269 nan 8.370 nan 0.000 0.502 222 N N 1.682 120.469 118.700 0.145 0.000 2.406 222 N HA -0.013 4.728 4.740 0.001 0.000 0.251 222 N C 0.391 175.986 175.510 0.143 0.000 1.069 222 N CA -0.140 53.011 53.050 0.168 0.000 0.947 222 N CB 1.171 39.847 38.487 0.315 0.000 1.111 222 N HN -0.168 nan 8.380 nan 0.000 0.497 223 D N 2.778 123.245 120.400 0.111 0.000 2.309 223 D HA -0.084 4.557 4.640 0.001 0.000 0.212 223 D C 1.322 177.686 176.300 0.107 0.000 0.968 223 D CA 0.726 54.785 54.000 0.098 0.000 0.882 223 D CB 0.205 41.053 40.800 0.081 0.000 0.918 223 D HN 0.653 nan 8.370 nan 0.000 0.503 224 A N 0.042 122.933 122.820 0.118 0.000 2.081 224 A HA 0.105 4.426 4.320 0.001 0.000 0.214 224 A C 1.056 178.702 177.584 0.103 0.000 1.158 224 A CA 0.021 52.132 52.037 0.122 0.000 0.724 224 A CB 0.374 19.454 19.000 0.133 0.000 0.826 224 A HN 0.051 nan 8.150 nan 0.000 0.463 225 V N 1.402 121.371 119.914 0.092 0.000 2.432 225 V HA 0.231 4.351 4.120 0.001 0.000 0.271 225 V C 1.252 177.369 176.094 0.038 0.000 1.046 225 V CA 0.370 62.696 62.300 0.043 0.000 0.945 225 V CB 1.260 33.111 31.823 0.047 0.000 0.992 225 V HN 0.403 nan 8.190 nan 0.000 0.471 226 V N 1.676 121.618 119.914 0.046 0.000 3.612 226 V HA 0.775 4.896 4.120 0.001 0.000 0.268 226 V C 0.538 176.673 176.094 0.067 0.000 1.365 226 V CA 0.610 62.966 62.300 0.093 0.000 1.044 226 V CB 0.245 32.130 31.823 0.103 0.000 0.820 226 V HN 0.878 nan 8.190 nan 0.000 0.444 227 A N -0.523 122.271 122.820 -0.042 0.000 2.574 227 A HA 0.834 5.155 4.320 0.001 0.000 0.297 227 A C -1.996 175.528 177.584 -0.100 0.000 1.062 227 A CA -0.449 51.567 52.037 -0.035 0.000 0.686 227 A CB 1.367 20.453 19.000 0.142 0.000 1.285 227 A HN 0.250 nan 8.150 nan 0.000 0.403 228 Y N 1.009 121.358 120.300 0.082 0.000 2.326 228 Y HA 0.430 4.981 4.550 0.001 0.000 0.331 228 Y C -0.241 175.624 175.900 -0.058 0.000 0.962 228 Y CA -1.357 56.724 58.100 -0.031 0.000 1.167 228 Y CB 1.775 39.964 38.460 -0.452 0.000 1.148 228 Y HN 0.673 nan 8.280 nan 0.000 0.463 229 D N 4.074 124.660 120.400 0.310 0.000 2.411 229 D HA 0.192 4.832 4.640 0.001 0.000 0.225 229 D C 0.778 177.305 176.300 0.378 0.000 1.156 229 D CA 0.100 54.267 54.000 0.279 0.000 0.874 229 D CB 0.844 41.845 40.800 0.335 0.000 1.034 229 D HN 0.628 nan 8.370 nan 0.000 0.502 230 L N 2.727 124.069 121.223 0.198 0.000 2.093 230 L HA 0.022 4.363 4.340 0.001 0.000 0.208 230 L C 1.277 178.602 176.870 0.758 0.000 1.085 230 L CA 0.755 55.781 54.840 0.308 0.000 0.755 230 L CB -0.176 41.966 42.059 0.139 0.000 0.904 230 L HN 0.454 nan 8.230 nan 0.000 0.435 231 M N -0.355 119.605 119.600 0.600 0.000 2.255 231 M HA 0.238 4.719 4.480 0.001 0.000 0.275 231 M C -1.127 175.392 176.300 0.365 0.000 1.050 231 M CA -0.549 55.074 55.300 0.539 0.000 0.978 231 M CB 1.897 34.819 32.600 0.538 0.000 1.761 231 M HN -0.149 nan 8.290 nan 0.000 0.479 232 N N 3.557 122.407 118.700 0.250 0.000 2.454 232 N HA 0.035 4.776 4.740 0.001 0.000 0.260 232 N C -0.757 174.827 175.510 0.124 0.000 1.218 232 N CA 1.069 54.185 53.050 0.111 0.000 0.904 232 N CB 0.478 38.786 38.487 -0.299 0.000 1.065 232 N HN 0.742 nan 8.380 nan 0.000 0.462 233 E N 0.406 120.657 120.200 0.086 0.000 2.202 233 E HA -0.204 4.147 4.350 0.001 0.000 0.169 233 E C -2.072 174.654 176.600 0.210 0.000 1.536 233 E CA -0.047 56.411 56.400 0.096 0.000 0.664 233 E CB -1.235 28.538 29.700 0.121 0.000 1.064 233 E HN 0.591 nan 8.360 nan 0.000 0.327 234 P HA -0.040 nan 4.420 nan 0.000 0.262 234 P C -0.629 176.911 177.300 0.399 0.000 1.182 234 P CA 0.637 64.013 63.100 0.460 0.000 0.761 234 P CB 0.196 32.148 31.700 0.420 0.000 0.795 235 F N 2.692 122.695 119.950 0.089 0.000 2.518 235 F HA 0.574 5.102 4.527 0.001 0.000 0.323 235 F C 0.956 176.326 175.800 -0.717 0.000 1.129 235 F CA -0.453 57.258 58.000 -0.480 0.000 0.920 235 F CB 1.571 40.001 39.000 -0.951 0.000 1.160 235 F HN 0.342 nan 8.300 nan 0.000 0.440 236 G N 3.022 110.653 108.800 -1.947 0.000 3.042 236 G HA2 0.376 4.337 3.960 0.001 0.000 0.212 236 G HA3 0.376 4.337 3.960 0.001 0.000 0.212 236 G C 0.948 175.166 174.900 -1.137 0.000 1.166 236 G CA 0.378 44.068 45.100 -2.351 0.000 0.767 236 G HN 1.409 nan 8.290 nan 0.000 0.546 237 G N 0.747 108.771 108.800 -1.294 0.000 2.602 237 G HA2 -0.365 3.595 3.960 0.001 0.000 0.310 237 G HA3 -0.365 3.595 3.960 0.001 0.000 0.310 237 G C 1.768 176.423 174.900 -0.408 0.000 1.183 237 G CA 1.651 46.456 45.100 -0.492 0.000 0.979 237 G HN 1.312 nan 8.290 nan 0.000 0.545 238 S N 0.309 115.907 115.700 -0.171 0.000 2.561 238 S HA 0.399 4.870 4.470 0.001 0.000 0.225 238 S C 1.067 175.564 174.600 -0.172 0.000 0.977 238 S CA 0.971 59.097 58.200 -0.123 0.000 0.926 238 S CB -0.074 63.107 63.200 -0.031 0.000 0.769 238 S HN 0.660 nan 8.310 nan 0.000 0.533 239 L N 2.159 123.217 121.223 -0.275 0.000 2.282 239 L HA 0.550 4.891 4.340 0.001 0.000 0.288 239 L C -0.227 176.418 176.870 -0.374 0.000 1.033 239 L CA -0.460 54.230 54.840 -0.251 0.000 0.807 239 L CB 1.240 43.184 42.059 -0.192 0.000 1.209 239 L HN 0.199 nan 8.230 nan 0.000 0.423 240 Q N 2.114 121.795 119.800 -0.198 0.000 2.379 240 Q HA 0.638 4.978 4.340 0.001 0.000 0.278 240 Q C 0.117 176.095 176.000 -0.038 0.000 1.068 240 Q CA -0.154 55.552 55.803 -0.163 0.000 0.816 240 Q CB 2.672 31.303 28.738 -0.179 0.000 1.387 240 Q HN 0.803 nan 8.270 nan 0.000 0.413 241 G N 2.211 111.018 108.800 0.011 0.000 2.584 241 G HA2 -0.228 3.733 3.960 0.001 0.000 0.229 241 G HA3 -0.228 3.733 3.960 0.001 0.000 0.229 241 G C -2.045 172.857 174.900 0.002 0.000 1.320 241 G CA -0.245 44.861 45.100 0.009 0.000 0.891 241 G HN 0.469 nan 8.290 nan 0.000 0.573 242 P HA -0.066 nan 4.420 nan 0.000 0.217 242 P C 2.262 179.529 177.300 -0.054 0.000 1.151 242 P CA 3.273 66.346 63.100 -0.045 0.000 0.849 242 P CB -0.261 31.419 31.700 -0.033 0.000 0.787 243 A N -1.479 121.323 122.820 -0.029 0.000 1.940 243 A HA -0.231 4.089 4.320 0.001 0.000 0.219 243 A C 2.073 179.649 177.584 -0.014 0.000 1.176 243 A CA 1.646 53.668 52.037 -0.025 0.000 0.631 243 A CB -1.644 17.345 19.000 -0.018 0.000 0.814 243 A HN 0.191 nan 8.150 nan 0.000 0.446 244 F N 0.546 120.374 119.950 -0.203 0.000 2.147 244 F HA 0.073 4.601 4.527 0.001 0.000 0.291 244 F C 2.088 177.700 175.800 -0.313 0.000 1.093 244 F CA 1.575 59.387 58.000 -0.314 0.000 1.263 244 F CB -0.585 38.188 39.000 -0.379 0.000 1.036 244 F HN 0.325 nan 8.300 nan 0.000 0.481 245 E N 0.231 120.125 120.200 -0.511 0.000 2.106 245 E HA -0.095 4.256 4.350 0.001 0.000 0.192 245 E C 2.073 178.448 176.600 -0.375 0.000 0.984 245 E CA 1.049 57.093 56.400 -0.593 0.000 0.806 245 E CB -0.343 29.182 29.700 -0.291 0.000 0.750 245 E HN 0.433 nan 8.360 nan 0.000 0.458 246 A N 0.834 123.517 122.820 -0.229 0.000 2.218 246 A HA 0.196 4.517 4.320 0.001 0.000 0.209 246 A C 1.548 179.047 177.584 -0.141 0.000 1.168 246 A CA 0.781 52.729 52.037 -0.148 0.000 0.804 246 A CB 0.011 18.955 19.000 -0.093 0.000 0.834 246 A HN 0.271 nan 8.150 nan 0.000 0.482 247 G N 0.046 108.737 108.800 -0.182 0.000 3.226 247 G HA2 0.290 4.251 3.960 0.001 0.000 0.190 247 G HA3 0.290 4.251 3.960 0.001 0.000 0.190 247 G C -0.856 173.948 174.900 -0.160 0.000 1.988 247 G CA 0.454 45.477 45.100 -0.127 0.000 0.859 247 G HN 0.192 nan 8.290 nan 0.000 0.631 248 P HA -0.026 nan 4.420 nan 0.000 0.220 248 P C 2.032 179.174 177.300 -0.264 0.000 1.148 248 P CA 0.540 63.588 63.100 -0.087 0.000 0.803 248 P CB 0.116 31.857 31.700 0.068 0.000 0.782 249 L N 0.656 121.441 121.223 -0.731 0.000 1.988 249 L HA -0.023 4.318 4.340 0.001 0.000 0.207 249 L C 2.556 179.073 176.870 -0.587 0.000 1.071 249 L CA 2.189 56.475 54.840 -0.923 0.000 0.744 249 L CB -1.702 39.495 42.059 -1.436 0.000 0.893 249 L HN -0.079 nan 8.230 nan 0.000 0.433 250 A N -0.336 122.268 122.820 -0.361 0.000 1.917 250 A HA -0.190 4.131 4.320 0.001 0.000 0.219 250 A C 2.454 180.027 177.584 -0.018 0.000 1.182 250 A CA 2.254 54.236 52.037 -0.093 0.000 0.633 250 A CB -1.322 17.636 19.000 -0.069 0.000 0.819 250 A HN 0.629 nan 8.150 nan 0.000 0.448 251 A N -0.873 121.920 122.820 -0.045 0.000 1.908 251 A HA -0.175 4.145 4.320 0.001 0.000 0.218 251 A C 2.241 179.870 177.584 0.076 0.000 1.181 251 A CA 2.099 54.151 52.037 0.024 0.000 0.627 251 A CB -0.535 18.480 19.000 0.025 0.000 0.818 251 A HN 0.560 nan 8.150 nan 0.000 0.445 252 M N -1.361 118.291 119.600 0.085 0.000 2.086 252 M HA -0.149 4.332 4.480 0.001 0.000 0.261 252 M C 1.972 178.407 176.300 0.225 0.000 1.067 252 M CA 1.887 57.288 55.300 0.169 0.000 1.116 252 M CB -0.806 31.969 32.600 0.292 0.000 1.348 252 M HN 0.469 nan 8.290 nan 0.000 0.407 253 Y N 0.788 121.177 120.300 0.149 0.000 2.207 253 Y HA -0.253 4.298 4.550 0.001 0.000 0.287 253 Y C 2.700 178.636 175.900 0.059 0.000 1.156 253 Y CA 1.812 59.972 58.100 0.099 0.000 1.182 253 Y CB -1.400 37.095 38.460 0.059 0.000 0.979 253 Y HN 0.391 nan 8.280 nan 0.000 0.521 254 Q N 0.509 120.435 119.800 0.209 0.000 2.046 254 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 254 Q C 2.466 178.528 176.000 0.104 0.000 0.975 254 Q CA 1.741 57.615 55.803 0.118 0.000 0.836 254 Q CB -0.292 28.494 28.738 0.080 0.000 0.896 254 Q HN 0.381 nan 8.270 nan 0.000 0.428 255 R N -1.124 119.448 120.500 0.119 0.000 2.081 255 R HA -0.099 4.242 4.340 0.001 0.000 0.235 255 R C 1.803 178.175 176.300 0.120 0.000 1.131 255 R CA 1.840 58.006 56.100 0.110 0.000 0.960 255 R CB -0.229 30.142 30.300 0.118 0.000 0.856 255 R HN 0.300 nan 8.270 nan 0.000 0.436 256 T N -0.241 114.408 114.554 0.159 0.000 2.812 256 T HA -0.062 4.289 4.350 0.001 0.000 0.264 256 T C 1.685 176.412 174.700 0.046 0.000 1.042 256 T CA 1.649 63.834 62.100 0.142 0.000 1.140 256 T CB -0.229 68.770 68.868 0.218 0.000 0.870 256 T HN 0.337 nan 8.240 nan 0.000 0.445 257 T N 2.277 116.856 114.554 0.042 0.000 2.684 257 T HA -0.143 4.208 4.350 0.001 0.000 0.267 257 T C 1.711 176.420 174.700 0.015 0.000 1.036 257 T CA 1.436 63.537 62.100 0.002 0.000 1.148 257 T CB -0.542 68.330 68.868 0.007 0.000 0.863 257 T HN 0.317 nan 8.240 nan 0.000 0.436 258 D N 1.226 121.647 120.400 0.034 0.000 2.123 258 D HA -0.050 4.590 4.640 0.001 0.000 0.196 258 D C 2.333 178.653 176.300 0.035 0.000 0.992 258 D CA 1.349 55.368 54.000 0.031 0.000 0.833 258 D CB -0.526 40.297 40.800 0.038 0.000 0.954 258 D HN 0.419 nan 8.370 nan 0.000 0.455 259 A N 0.619 123.468 122.820 0.048 0.000 1.873 259 A HA -0.118 4.203 4.320 0.001 0.000 0.215 259 A C 2.407 180.015 177.584 0.041 0.000 1.186 259 A CA 0.856 52.923 52.037 0.051 0.000 0.616 259 A CB -0.748 18.296 19.000 0.073 0.000 0.823 259 A HN 0.194 nan 8.150 nan 0.000 0.442 260 I N -0.708 119.881 120.570 0.032 0.000 2.264 260 I HA -0.246 3.924 4.170 0.001 0.000 0.248 260 I C 2.289 178.435 176.117 0.048 0.000 1.111 260 I CA 1.047 62.365 61.300 0.029 0.000 1.382 260 I CB -0.231 37.763 38.000 -0.011 0.000 1.060 260 I HN 0.204 nan 8.210 nan 0.000 0.418 261 R N 0.715 121.234 120.500 0.031 0.000 2.339 261 R HA -0.060 4.281 4.340 0.001 0.000 0.199 261 R C 1.872 178.185 176.300 0.023 0.000 1.018 261 R CA 0.505 56.618 56.100 0.023 0.000 1.036 261 R CB -0.315 29.987 30.300 0.003 0.000 0.899 261 R HN 0.586 nan 8.270 nan 0.000 0.473 262 Q N 0.040 119.856 119.800 0.028 0.000 2.230 262 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 262 Q C 1.746 177.763 176.000 0.029 0.000 0.963 262 Q CA 1.534 57.352 55.803 0.026 0.000 0.866 262 Q CB 0.363 29.118 28.738 0.028 0.000 0.931 262 Q HN 0.279 nan 8.270 nan 0.000 0.452 263 V N -4.509 115.428 119.914 0.039 0.000 3.485 263 V HA 0.279 4.400 4.120 0.001 0.000 0.280 263 V C -0.292 175.842 176.094 0.067 0.000 1.495 263 V CA -0.250 62.077 62.300 0.045 0.000 1.018 263 V CB 1.186 33.033 31.823 0.040 0.000 0.818 263 V HN -0.016 nan 8.190 nan 0.000 0.436 264 D N 0.338 120.787 120.400 0.082 0.000 2.616 264 D HA 0.316 4.957 4.640 0.001 0.000 0.238 264 D C 0.423 176.763 176.300 0.066 0.000 1.354 264 D CA -0.159 53.908 54.000 0.112 0.000 0.970 264 D CB 2.140 43.080 40.800 0.234 0.000 1.369 264 D HN 0.033 nan 8.370 nan 0.000 0.585 265 Q N 1.709 121.524 119.800 0.024 0.000 2.376 265 Q HA 0.081 4.422 4.340 0.001 0.000 0.206 265 Q C 0.146 176.099 176.000 -0.077 0.000 0.921 265 Q CA 0.768 56.557 55.803 -0.023 0.000 0.911 265 Q CB 0.786 29.509 28.738 -0.025 0.000 1.032 265 Q HN 0.511 nan 8.270 nan 0.000 0.510 266 D N -0.056 120.304 120.400 -0.067 0.000 2.423 266 D HA 0.049 4.689 4.640 0.001 0.000 0.208 266 D C 0.057 176.251 176.300 -0.177 0.000 1.068 266 D CA 0.244 54.161 54.000 -0.139 0.000 0.860 266 D CB 0.475 41.237 40.800 -0.064 0.000 0.992 266 D HN -0.016 nan 8.370 nan 0.000 0.504 267 T N 1.041 115.535 114.554 -0.100 0.000 2.916 267 T HA -0.021 4.330 4.350 0.001 0.000 0.303 267 T C 0.319 174.938 174.700 -0.135 0.000 1.025 267 T CA -0.236 61.782 62.100 -0.137 0.000 1.142 267 T CB 0.872 69.493 68.868 -0.411 0.000 0.947 267 T HN 0.042 nan 8.240 nan 0.000 0.544 268 W N 2.655 123.856 121.300 -0.164 0.000 2.251 268 W HA 0.269 4.931 4.660 0.002 0.000 0.327 268 W C -0.343 176.105 176.519 -0.120 0.000 1.361 268 W CA -0.476 56.806 57.345 -0.105 0.000 1.234 268 W CB 0.491 29.911 29.460 -0.067 0.000 1.212 268 W HN 0.269 nan 8.180 nan 0.000 0.557 269 V N 5.033 124.989 119.914 0.070 0.000 2.383 269 V HA 0.136 4.256 4.120 0.001 0.000 0.275 269 V C 0.076 176.186 176.094 0.025 0.000 1.036 269 V CA -0.465 61.843 62.300 0.013 0.000 0.889 269 V CB 0.795 32.588 31.823 -0.051 0.000 0.985 269 V HN 0.477 nan 8.190 nan 0.000 0.459 270 C N 5.777 125.081 119.300 0.007 0.000 2.322 270 C HA 0.717 5.178 4.460 0.001 0.000 0.324 270 C C 0.180 175.109 174.990 -0.102 0.000 1.284 270 C CA -0.880 58.150 59.018 0.019 0.000 1.606 270 C CB 0.753 28.552 27.740 0.097 0.000 2.251 270 C HN 0.760 nan 8.230 nan 0.000 0.502 271 V N 1.147 120.966 119.914 -0.159 0.000 2.628 271 V HA 0.984 5.104 4.120 0.001 0.000 0.306 271 V C -0.017 176.036 176.094 -0.069 0.000 1.045 271 V CA -0.457 61.582 62.300 -0.434 0.000 0.905 271 V CB 1.349 32.719 31.823 -0.754 0.000 0.997 271 V HN 1.044 nan 8.190 nan 0.000 0.436 272 A N 5.625 128.462 122.820 0.028 0.000 2.337 272 A HA 1.024 5.345 4.320 0.001 0.000 0.331 272 A C -2.536 175.213 177.584 0.274 0.000 1.137 272 A CA -1.990 50.116 52.037 0.115 0.000 0.807 272 A CB 1.404 20.448 19.000 0.074 0.000 1.250 272 A HN 0.811 nan 8.150 nan 0.000 0.468 273 P HA 0.214 nan 4.420 nan 0.000 0.277 273 P C -0.731 176.646 177.300 0.129 0.000 1.271 273 P CA -0.438 62.782 63.100 0.199 0.000 0.795 273 P CB 0.334 32.165 31.700 0.218 0.000 1.101 274 Q N -0.344 119.514 119.800 0.097 0.000 2.395 274 Q HA 0.242 4.583 4.340 0.001 0.000 0.271 274 Q C 0.658 176.726 176.000 0.112 0.000 1.026 274 Q CA -0.127 55.770 55.803 0.157 0.000 0.900 274 Q CB 0.389 29.263 28.738 0.227 0.000 1.266 274 Q HN 0.429 nan 8.270 nan 0.000 0.430 275 A N 3.707 126.585 122.820 0.096 0.000 1.903 275 A HA 0.024 4.345 4.320 0.001 0.000 0.213 275 A C 0.883 178.512 177.584 0.075 0.000 1.185 275 A CA 0.123 52.205 52.037 0.075 0.000 0.628 275 A CB -0.091 18.943 19.000 0.056 0.000 0.830 275 A HN 0.799 nan 8.150 nan 0.000 0.446 276 I N 0.033 120.626 120.570 0.039 0.000 2.618 276 I HA 0.401 4.572 4.170 0.001 0.000 0.284 276 I C 1.403 177.548 176.117 0.046 0.000 1.146 276 I CA 1.216 62.529 61.300 0.023 0.000 1.425 276 I CB 0.212 38.215 38.000 0.006 0.000 1.383 276 I HN 0.714 nan 8.210 nan 0.000 0.562 277 G N 4.833 113.666 108.800 0.055 0.000 3.329 277 G HA2 -0.313 3.647 3.960 0.001 0.000 0.220 277 G HA3 -0.313 3.647 3.960 0.001 0.000 0.220 277 G C 0.920 175.882 174.900 0.104 0.000 1.358 277 G CA 0.344 45.484 45.100 0.066 0.000 0.856 277 G HN 0.654 nan 8.290 nan 0.000 0.551 278 V N 1.736 121.719 119.914 0.116 0.000 2.427 278 V HA -0.134 3.987 4.120 0.001 0.000 0.248 278 V C 2.556 178.798 176.094 0.246 0.000 1.051 278 V CA 2.570 64.963 62.300 0.156 0.000 1.048 278 V CB -0.648 31.257 31.823 0.137 0.000 0.666 278 V HN 0.502 nan 8.190 nan 0.000 0.456 279 N N 0.537 119.379 118.700 0.236 0.000 2.192 279 N HA -0.203 4.538 4.740 0.001 0.000 0.188 279 N C 1.750 177.421 175.510 0.267 0.000 1.013 279 N CA 1.288 54.519 53.050 0.301 0.000 0.863 279 N CB -0.293 38.378 38.487 0.307 0.000 0.990 279 N HN 0.560 nan 8.380 nan 0.000 0.430 280 Q N -1.453 118.472 119.800 0.208 0.000 2.319 280 Q HA 0.378 4.719 4.340 0.001 0.000 0.202 280 Q C 0.842 176.945 176.000 0.172 0.000 0.896 280 Q CA 0.433 56.334 55.803 0.164 0.000 0.942 280 Q CB 0.586 29.392 28.738 0.113 0.000 1.083 280 Q HN 0.349 nan 8.270 nan 0.000 0.510 281 G N -0.659 108.282 108.800 0.234 0.000 2.168 281 G HA2 -0.185 3.776 3.960 0.001 0.000 0.197 281 G HA3 -0.185 3.776 3.960 0.001 0.000 0.197 281 G C -0.479 174.506 174.900 0.141 0.000 0.997 281 G CA -0.593 44.647 45.100 0.232 0.000 0.658 281 G HN 0.137 nan 8.290 nan 0.000 0.513 282 L N 2.232 123.525 121.223 0.117 0.000 2.418 282 L HA 0.563 4.904 4.340 0.001 0.000 0.265 282 L C -1.312 175.593 176.870 0.058 0.000 1.143 282 L CA -1.952 52.929 54.840 0.070 0.000 0.809 282 L CB 0.321 42.414 42.059 0.057 0.000 1.124 282 L HN -0.041 nan 8.230 nan 0.000 0.456 283 P HA 0.072 nan 4.420 nan 0.000 0.272 283 P C -0.817 176.506 177.300 0.037 0.000 1.223 283 P CA -0.407 62.703 63.100 0.017 0.000 0.784 283 P CB 1.026 32.711 31.700 -0.025 0.000 0.923 284 S N 0.262 115.994 115.700 0.054 0.000 2.541 284 S HA 0.536 5.007 4.470 0.001 0.000 0.283 284 S C 1.181 175.796 174.600 0.025 0.000 1.196 284 S CA -0.361 57.872 58.200 0.055 0.000 1.062 284 S CB 0.163 63.424 63.200 0.103 0.000 1.009 284 S HN 0.537 nan 8.310 nan 0.000 0.502 285 G N 3.248 112.046 108.800 -0.003 0.000 3.371 285 G HA2 0.221 4.182 3.960 0.001 0.000 0.248 285 G HA3 0.221 4.182 3.960 0.001 0.000 0.248 285 G C 0.098 174.965 174.900 -0.055 0.000 1.161 285 G CA -0.292 44.793 45.100 -0.024 0.000 0.796 285 G HN 0.603 nan 8.290 nan 0.000 0.539 286 L N 2.926 124.116 121.223 -0.055 0.000 2.485 286 L HA 0.388 4.729 4.340 0.001 0.000 0.275 286 L C 0.850 177.666 176.870 -0.089 0.000 1.207 286 L CA 0.229 55.029 54.840 -0.067 0.000 0.855 286 L CB 0.654 42.705 42.059 -0.012 0.000 1.114 286 L HN 0.151 nan 8.230 nan 0.000 0.485 287 T N 1.741 116.252 114.554 -0.073 0.000 2.949 287 T HA 0.378 4.729 4.350 0.001 0.000 0.287 287 T C -0.183 174.476 174.700 -0.067 0.000 1.034 287 T CA -1.076 60.979 62.100 -0.075 0.000 1.018 287 T CB 0.937 69.770 68.868 -0.058 0.000 1.135 287 T HN 0.652 nan 8.240 nan 0.000 0.532 288 K N 0.879 121.234 120.400 -0.074 0.000 2.448 288 K HA 0.206 4.526 4.320 0.001 0.000 0.278 288 K C -0.499 176.081 176.600 -0.033 0.000 1.009 288 K CA -0.460 55.786 56.287 -0.069 0.000 0.995 288 K CB 0.120 32.578 32.500 -0.070 0.000 0.917 288 K HN 0.427 nan 8.250 nan 0.000 0.481 289 I N 3.967 124.520 120.570 -0.027 0.000 2.359 289 I HA 0.153 4.324 4.170 0.001 0.000 0.294 289 I C -0.090 176.017 176.117 -0.017 0.000 0.987 289 I CA -0.604 60.695 61.300 -0.003 0.000 1.225 289 I CB 1.370 39.375 38.000 0.007 0.000 1.366 289 I HN 0.637 nan 8.210 nan 0.000 0.466 290 D N 4.386 124.781 120.400 -0.008 0.000 2.264 290 D HA 0.138 4.779 4.640 0.001 0.000 0.250 290 D C -0.284 176.003 176.300 -0.021 0.000 1.113 290 D CA 0.056 54.045 54.000 -0.017 0.000 0.871 290 D CB 1.626 42.420 40.800 -0.010 0.000 1.167 290 D HN 0.347 nan 8.370 nan 0.000 0.447 291 D N 2.200 122.579 120.400 -0.036 0.000 2.392 291 D HA 0.177 4.817 4.640 0.001 0.000 0.228 291 D C -1.669 174.604 176.300 -0.044 0.000 1.074 291 D CA -2.056 51.915 54.000 -0.049 0.000 0.838 291 D CB 1.747 42.499 40.800 -0.080 0.000 1.067 291 D HN 0.027 nan 8.370 nan 0.000 0.511 292 P HA -0.035 nan 4.420 nan 0.000 0.237 292 P C 0.350 177.629 177.300 -0.035 0.000 1.178 292 P CA 0.051 63.135 63.100 -0.026 0.000 0.766 292 P CB 0.005 31.697 31.700 -0.013 0.000 0.876 293 R N 0.511 120.979 120.500 -0.053 0.000 2.698 293 R HA 0.344 4.685 4.340 0.001 0.000 0.266 293 R C -0.027 176.240 176.300 -0.056 0.000 1.026 293 R CA -0.311 55.752 56.100 -0.062 0.000 1.102 293 R CB -0.035 30.205 30.300 -0.099 0.000 0.978 293 R HN -0.117 nan 8.270 nan 0.000 0.436 294 A N 2.559 125.351 122.820 -0.047 0.000 2.488 294 A HA 0.481 4.802 4.320 0.001 0.000 0.249 294 A C 1.056 178.611 177.584 -0.049 0.000 1.083 294 A CA 0.615 52.629 52.037 -0.039 0.000 0.768 294 A CB -0.375 18.608 19.000 -0.028 0.000 1.017 294 A HN 1.307 nan 8.150 nan 0.000 0.496 295 G N 1.631 110.406 108.800 -0.041 0.000 2.508 295 G HA2 -0.136 3.824 3.960 0.001 0.000 0.220 295 G HA3 -0.136 3.824 3.960 0.001 0.000 0.220 295 G C -0.272 174.596 174.900 -0.052 0.000 1.287 295 G CA -0.007 45.068 45.100 -0.042 0.000 0.916 295 G HN 1.064 nan 8.290 nan 0.000 0.574 296 Q N 0.833 120.600 119.800 -0.055 0.000 2.352 296 Q HA 0.370 4.711 4.340 0.001 0.000 0.260 296 Q C 0.584 176.527 176.000 -0.095 0.000 0.976 296 Q CA -0.148 55.623 55.803 -0.052 0.000 0.881 296 Q CB 0.592 29.316 28.738 -0.022 0.000 1.235 296 Q HN 0.538 nan 8.270 nan 0.000 0.419 297 Q N 1.600 121.354 119.800 -0.077 0.000 2.395 297 Q HA 0.049 4.389 4.340 0.001 0.000 0.271 297 Q C -0.217 175.678 176.000 -0.175 0.000 1.026 297 Q CA 0.659 56.398 55.803 -0.107 0.000 0.900 297 Q CB 0.565 29.266 28.738 -0.062 0.000 1.266 297 Q HN 0.381 nan 8.270 nan 0.000 0.430 298 R N 2.163 122.477 120.500 -0.310 0.000 2.748 298 R HA 0.358 4.699 4.340 0.001 0.000 0.283 298 R C -0.760 175.350 176.300 -0.317 0.000 1.507 298 R CA -0.290 55.406 56.100 -0.673 0.000 1.666 298 R CB 0.540 30.067 30.300 -1.287 0.000 1.237 298 R HN 0.421 nan 8.270 nan 0.000 0.633 299 I N 1.036 121.606 120.570 -0.000 0.000 2.441 299 I HA 0.590 4.761 4.170 0.001 0.000 0.295 299 I C 0.308 176.577 176.117 0.253 0.000 0.994 299 I CA -0.907 60.450 61.300 0.095 0.000 1.144 299 I CB 1.639 39.644 38.000 0.008 0.000 1.314 299 I HN 0.296 nan 8.210 nan 0.000 0.445 300 A N 5.386 128.345 122.820 0.232 0.000 2.430 300 A HA 0.690 5.010 4.320 0.001 0.000 0.300 300 A C -1.835 175.843 177.584 0.155 0.000 1.124 300 A CA -0.487 51.654 52.037 0.172 0.000 0.766 300 A CB 1.744 20.810 19.000 0.110 0.000 1.328 300 A HN 0.537 nan 8.150 nan 0.000 0.424 301 Y N 0.974 121.259 120.300 -0.026 0.000 2.331 301 Y HA 0.462 5.013 4.550 0.001 0.000 0.338 301 Y C 0.151 176.057 175.900 0.010 0.000 0.992 301 Y CA -1.720 56.358 58.100 -0.036 0.000 1.121 301 Y CB 1.507 39.926 38.460 -0.068 0.000 1.184 301 Y HN 0.898 nan 8.280 nan 0.000 0.469 302 C N 7.389 126.562 119.300 -0.212 0.000 3.273 302 C HA 0.544 5.005 4.460 0.001 0.000 0.227 302 C C -2.706 172.187 174.990 -0.162 0.000 1.409 302 C CA -2.177 56.775 59.018 -0.110 0.000 1.516 302 C CB -0.902 26.888 27.740 0.083 0.000 1.853 302 C HN 0.596 nan 8.230 nan 0.000 0.472 303 P HA 0.281 nan 4.420 nan 0.000 0.274 303 P C -0.481 177.012 177.300 0.321 0.000 1.256 303 P CA 0.530 63.541 63.100 -0.149 0.000 0.795 303 P CB 0.816 32.360 31.700 -0.261 0.000 1.038 304 H N -0.781 118.424 119.070 0.225 0.000 2.651 304 H HA 0.603 5.160 4.556 0.001 0.000 0.353 304 H C -0.762 174.638 175.328 0.119 0.000 1.178 304 H CA -1.039 55.120 56.048 0.184 0.000 1.224 304 H CB 1.615 31.540 29.762 0.272 0.000 1.702 304 H HN 0.206 nan 8.280 nan 0.000 0.550 305 L N 2.250 123.373 121.223 -0.166 0.000 2.406 305 L HA 0.279 4.620 4.340 0.001 0.000 0.270 305 L C -2.009 174.573 176.870 -0.481 0.000 0.982 305 L CA -0.491 54.043 54.840 -0.511 0.000 0.843 305 L CB 0.406 41.785 42.059 -1.135 0.000 1.225 305 L HN 0.553 nan 8.230 nan 0.000 0.412 306 Y N 5.456 125.770 120.300 0.022 0.000 2.563 306 Y HA 0.449 4.999 4.550 0.001 0.000 0.351 306 Y C -2.315 173.606 175.900 0.035 0.000 1.087 306 Y CA -2.199 55.940 58.100 0.064 0.000 1.272 306 Y CB 1.039 39.561 38.460 0.103 0.000 1.095 306 Y HN 0.538 nan 8.280 nan 0.000 0.620 307 P HA 0.053 nan 4.420 nan 0.000 0.265 307 P C 1.079 178.414 177.300 0.058 0.000 1.193 307 P CA 0.289 63.427 63.100 0.063 0.000 0.765 307 P CB 1.015 32.718 31.700 0.005 0.000 0.823 308 L N 4.960 126.218 121.223 0.058 0.000 2.013 308 L HA -0.178 4.162 4.340 0.001 0.000 0.212 308 L C -0.374 176.509 176.870 0.022 0.000 1.073 308 L CA 2.061 56.926 54.840 0.042 0.000 0.753 308 L CB -1.973 40.107 42.059 0.036 0.000 0.890 308 L HN 0.476 nan 8.230 nan 0.000 0.432 309 P HA -0.133 nan 4.420 nan 0.000 0.216 309 P C 0.719 178.012 177.300 -0.012 0.000 1.150 309 P CA 1.124 64.226 63.100 0.003 0.000 0.843 309 P CB 0.071 31.776 31.700 0.009 0.000 0.787 317 E N 0.455 120.586 120.200 -0.115 0.000 2.433 317 E HA 0.604 4.955 4.350 0.001 0.000 0.278 317 E C 0.508 177.050 176.600 -0.097 0.000 0.976 317 E CA -1.218 55.110 56.400 -0.120 0.000 0.793 317 E CB 2.044 31.716 29.700 -0.047 0.000 1.311 317 E HN 0.469 nan 8.360 nan 0.000 0.460 318 G N 0.806 109.556 108.800 -0.083 0.000 2.566 318 G HA2 -0.354 3.607 3.960 0.001 0.000 0.280 318 G HA3 -0.354 3.607 3.960 0.001 0.000 0.280 318 G C 0.512 175.377 174.900 -0.058 0.000 1.225 318 G CA 0.353 45.420 45.100 -0.055 0.000 0.966 318 G HN 0.687 nan 8.290 nan 0.000 0.560 319 L N 1.064 122.266 121.223 -0.036 0.000 2.131 319 L HA 0.281 4.622 4.340 0.001 0.000 0.210 319 L C 3.284 180.138 176.870 -0.026 0.000 1.092 319 L CA 3.112 57.937 54.840 -0.026 0.000 0.759 319 L CB -1.088 40.963 42.059 -0.013 0.000 0.903 319 L HN 1.370 nan 8.230 nan 0.000 0.435 320 A N -0.229 122.573 122.820 -0.029 0.000 1.908 320 A HA -0.303 4.018 4.320 0.001 0.000 0.218 320 A C 2.523 180.088 177.584 -0.032 0.000 1.181 320 A CA 2.025 54.051 52.037 -0.018 0.000 0.627 320 A CB -0.674 18.318 19.000 -0.012 0.000 0.818 320 A HN 0.536 nan 8.150 nan 0.000 0.445 321 R N -0.924 119.499 120.500 -0.129 0.000 2.081 321 R HA -0.114 4.227 4.340 0.001 0.000 0.235 321 R C 2.167 178.408 176.300 -0.098 0.000 1.131 321 R CA 2.130 58.051 56.100 -0.298 0.000 0.960 321 R CB -0.701 29.318 30.300 -0.468 0.000 0.856 321 R HN 0.467 nan 8.270 nan 0.000 0.436 322 T N 1.385 115.904 114.554 -0.058 0.000 2.708 322 T HA -0.123 4.228 4.350 0.001 0.000 0.266 322 T C 1.766 176.479 174.700 0.022 0.000 1.037 322 T CA 1.542 63.636 62.100 -0.011 0.000 1.146 322 T CB -0.161 68.699 68.868 -0.012 0.000 0.865 322 T HN 0.168 nan 8.240 nan 0.000 0.435 323 L N 0.564 121.800 121.223 0.022 0.000 2.046 323 L HA -0.121 4.220 4.340 0.001 0.000 0.208 323 L C 2.939 179.849 176.870 0.066 0.000 1.077 323 L CA 1.212 56.074 54.840 0.038 0.000 0.747 323 L CB -0.977 41.099 42.059 0.028 0.000 0.896 323 L HN 0.268 nan 8.230 nan 0.000 0.432 324 T N -1.126 113.483 114.554 0.092 0.000 2.777 324 T HA -0.164 4.187 4.350 0.001 0.000 0.266 324 T C 1.469 176.276 174.700 0.177 0.000 1.040 324 T CA 1.330 63.515 62.100 0.142 0.000 1.141 324 T CB -0.188 68.803 68.868 0.204 0.000 0.868 324 T HN 0.295 nan 8.240 nan 0.000 0.444 325 D N 1.019 121.523 120.400 0.174 0.000 2.117 325 D HA -0.086 4.555 4.640 0.001 0.000 0.197 325 D C 2.396 178.753 176.300 0.095 0.000 0.987 325 D CA 1.234 55.318 54.000 0.139 0.000 0.829 325 D CB -0.457 40.407 40.800 0.107 0.000 0.961 325 D HN 0.421 nan 8.370 nan 0.000 0.460 326 V N -1.194 118.766 119.914 0.078 0.000 2.667 326 V HA -0.133 3.988 4.120 0.001 0.000 0.252 326 V C 2.143 178.288 176.094 0.085 0.000 1.065 326 V CA 1.650 63.991 62.300 0.067 0.000 1.083 326 V CB -1.112 30.741 31.823 0.050 0.000 0.692 326 V HN -0.012 nan 8.190 nan 0.000 0.468 327 T N 1.410 116.022 114.554 0.096 0.000 2.684 327 T HA -0.083 4.268 4.350 0.001 0.000 0.267 327 T C 1.849 176.641 174.700 0.154 0.000 1.036 327 T CA 2.405 64.576 62.100 0.118 0.000 1.148 327 T CB -0.431 68.500 68.868 0.104 0.000 0.863 327 T HN 0.504 nan 8.240 nan 0.000 0.436 328 I N 1.296 121.939 120.570 0.121 0.000 2.208 328 I HA -0.201 3.970 4.170 0.001 0.000 0.245 328 I C 2.355 178.581 176.117 0.182 0.000 1.097 328 I CA 1.235 62.603 61.300 0.114 0.000 1.363 328 I CB -0.440 37.573 38.000 0.023 0.000 1.051 328 I HN 0.160 nan 8.210 nan 0.000 0.413 329 D N 1.178 121.651 120.400 0.122 0.000 2.104 329 D HA -0.182 4.459 4.640 0.001 0.000 0.194 329 D C 2.262 178.627 176.300 0.108 0.000 0.994 329 D CA 1.759 55.818 54.000 0.098 0.000 0.830 329 D CB -0.264 40.574 40.800 0.064 0.000 0.959 329 D HN 0.373 nan 8.370 nan 0.000 0.452 330 A N 0.255 123.147 122.820 0.120 0.000 1.877 330 A HA -0.165 4.156 4.320 0.001 0.000 0.216 330 A C 2.191 179.857 177.584 0.136 0.000 1.186 330 A CA 1.531 53.630 52.037 0.104 0.000 0.620 330 A CB -1.314 17.747 19.000 0.102 0.000 0.822 330 A HN 0.418 nan 8.150 nan 0.000 0.443 331 W N 0.761 122.070 121.300 0.017 0.000 2.338 331 W HA -0.232 4.429 4.660 0.001 0.000 0.304 331 W C 2.437 178.964 176.519 0.013 0.000 1.212 331 W CA 2.289 59.645 57.345 0.019 0.000 1.264 331 W CB -0.166 29.297 29.460 0.005 0.000 1.142 331 W HN 0.337 nan 8.180 nan 0.000 0.512 332 R N 0.416 121.034 120.500 0.196 0.000 2.083 332 R HA -0.183 4.157 4.340 0.001 0.000 0.237 332 R C 2.283 178.507 176.300 -0.127 0.000 1.137 332 R CA 2.166 58.256 56.100 -0.017 0.000 0.951 332 R CB -0.860 29.508 30.300 0.115 0.000 0.851 332 R HN 0.198 nan 8.270 nan 0.000 0.434 333 A N 1.214 124.004 122.820 -0.049 0.000 1.902 333 A HA -0.180 4.141 4.320 0.001 0.000 0.217 333 A C 1.833 179.377 177.584 -0.066 0.000 1.181 333 A CA 1.697 53.705 52.037 -0.047 0.000 0.623 333 A CB -0.623 18.364 19.000 -0.022 0.000 0.818 333 A HN 0.451 nan 8.150 nan 0.000 0.443 334 N N -0.327 118.316 118.700 -0.095 0.000 2.142 334 N HA -0.097 4.644 4.740 0.001 0.000 0.186 334 N C 1.778 177.227 175.510 -0.102 0.000 1.023 334 N CA 1.896 54.901 53.050 -0.076 0.000 0.852 334 N CB -0.863 37.582 38.487 -0.070 0.000 0.998 334 N HN 0.478 nan 8.380 nan 0.000 0.424 335 T N 1.362 115.730 114.554 -0.309 0.000 2.708 335 T HA -0.083 4.268 4.350 0.001 0.000 0.266 335 T C 1.999 176.617 174.700 -0.137 0.000 1.037 335 T CA 1.493 63.420 62.100 -0.288 0.000 1.146 335 T CB -0.390 67.938 68.868 -0.902 0.000 0.865 335 T HN 0.339 nan 8.240 nan 0.000 0.435 336 A N 1.075 123.799 122.820 -0.160 0.000 1.908 336 A HA -0.207 4.114 4.320 0.001 0.000 0.218 336 A C 2.007 179.542 177.584 -0.082 0.000 1.181 336 A CA 2.424 54.401 52.037 -0.101 0.000 0.627 336 A CB -1.001 17.953 19.000 -0.076 0.000 0.818 336 A HN 0.714 nan 8.150 nan 0.000 0.445 337 H N -0.303 118.686 119.070 -0.135 0.000 2.293 337 H HA -0.089 4.467 4.556 0.001 0.000 0.300 337 H C 2.089 177.309 175.328 -0.179 0.000 1.082 337 H CA 2.496 58.466 56.048 -0.130 0.000 1.308 337 H CB -0.468 29.229 29.762 -0.109 0.000 1.375 337 H HN 0.352 nan 8.280 nan 0.000 0.495 338 T N 0.357 114.723 114.554 -0.313 0.000 2.821 338 T HA -0.076 4.275 4.350 0.001 0.000 0.267 338 T C 2.198 176.521 174.700 -0.629 0.000 1.046 338 T CA 1.080 62.858 62.100 -0.536 0.000 1.139 338 T CB -0.655 67.873 68.868 -0.568 0.000 0.871 338 T HN 0.563 nan 8.240 nan 0.000 0.454 339 A N 1.790 124.331 122.820 -0.465 0.000 1.978 339 A HA -0.134 4.187 4.320 0.001 0.000 0.220 339 A C 2.385 179.824 177.584 -0.243 0.000 1.170 339 A CA 1.307 53.166 52.037 -0.298 0.000 0.636 339 A CB -0.429 18.504 19.000 -0.113 0.000 0.810 339 A HN 0.399 nan 8.150 nan 0.000 0.448 340 R N -0.812 119.533 120.500 -0.258 0.000 2.066 340 R HA -0.059 4.281 4.340 0.001 0.000 0.232 340 R C 2.070 178.218 176.300 -0.253 0.000 1.131 340 R CA 1.388 57.356 56.100 -0.220 0.000 0.955 340 R CB -0.652 29.528 30.300 -0.200 0.000 0.851 340 R HN 0.377 nan 8.270 nan 0.000 0.432 341 V N 1.909 121.598 119.914 -0.376 0.000 2.324 341 V HA -0.251 3.870 4.120 0.001 0.000 0.250 341 V C 2.205 178.163 176.094 -0.227 0.000 1.060 341 V CA 1.714 63.822 62.300 -0.320 0.000 1.042 341 V CB -0.433 31.154 31.823 -0.392 0.000 0.650 341 V HN 0.322 nan 8.190 nan 0.000 0.450 342 L N 0.030 121.103 121.223 -0.250 0.000 2.551 342 L HA 0.204 4.545 4.340 0.001 0.000 0.228 342 L C 1.413 178.214 176.870 -0.116 0.000 1.153 342 L CA 0.953 55.685 54.840 -0.181 0.000 0.851 342 L CB -0.372 41.560 42.059 -0.211 0.000 0.959 342 L HN 0.595 nan 8.230 nan 0.000 0.451 343 G N -0.366 108.365 108.800 -0.115 0.000 2.247 343 G HA2 -0.160 3.800 3.960 0.001 0.000 0.111 343 G HA3 -0.160 3.800 3.960 0.001 0.000 0.111 343 G C -0.234 174.633 174.900 -0.055 0.000 1.045 343 G CA -0.465 44.592 45.100 -0.073 0.000 0.715 343 G HN 0.264 nan 8.290 nan 0.000 0.485 344 D N -1.408 118.945 120.400 -0.078 0.000 2.737 344 D HA -0.167 4.474 4.640 0.001 0.000 0.238 344 D C 1.107 177.386 176.300 -0.034 0.000 1.157 344 D CA 1.453 55.417 54.000 -0.060 0.000 0.694 344 D CB -1.665 39.113 40.800 -0.038 0.000 1.021 344 D HN 1.667 nan 8.370 nan 0.000 0.420 345 V N -3.197 116.692 119.914 -0.042 0.000 2.863 345 V HA 0.709 4.829 4.120 0.001 0.000 0.307 345 V C -2.124 173.960 176.094 -0.017 0.000 1.061 345 V CA -1.681 60.623 62.300 0.007 0.000 1.024 345 V CB 1.214 33.052 31.823 0.024 0.000 1.049 345 V HN -0.174 nan 8.190 nan 0.000 0.471 346 P HA 0.402 nan 4.420 nan 0.000 0.270 346 P C -0.722 176.535 177.300 -0.071 0.000 1.223 346 P CA 0.089 63.118 63.100 -0.119 0.000 0.785 346 P CB 0.357 31.941 31.700 -0.193 0.000 0.923 347 I N 2.182 122.684 120.570 -0.115 0.000 2.474 347 I HA 0.423 4.594 4.170 0.001 0.000 0.294 347 I C -0.067 176.006 176.117 -0.074 0.000 1.005 347 I CA -0.514 60.757 61.300 -0.049 0.000 1.113 347 I CB 1.349 39.322 38.000 -0.046 0.000 1.289 347 I HN 0.087 nan 8.210 nan 0.000 0.436 348 I N 6.416 126.969 120.570 -0.028 0.000 2.447 348 I HA 0.216 4.386 4.170 0.001 0.000 0.287 348 I C -0.758 175.412 176.117 0.088 0.000 1.023 348 I CA -0.836 60.465 61.300 0.001 0.000 1.083 348 I CB 2.086 40.097 38.000 0.018 0.000 1.245 348 I HN 0.332 nan 8.210 nan 0.000 0.434 349 L N 6.693 127.985 121.223 0.115 0.000 2.454 349 L HA 0.364 4.705 4.340 0.001 0.000 0.284 349 L C 1.194 178.177 176.870 0.190 0.000 1.139 349 L CA 0.447 55.386 54.840 0.164 0.000 0.911 349 L CB 0.507 42.587 42.059 0.036 0.000 1.262 349 L HN 0.730 nan 8.230 nan 0.000 0.453 350 G N 4.165 113.128 108.800 0.271 0.000 2.448 350 G HA2 -0.038 3.923 3.960 0.001 0.000 0.218 350 G HA3 -0.038 3.923 3.960 0.001 0.000 0.218 350 G C 0.264 175.210 174.900 0.077 0.000 1.135 350 G CA 0.217 45.489 45.100 0.286 0.000 0.784 350 G HN 0.611 nan 8.290 nan 0.000 0.543 351 E N -1.196 118.914 120.200 -0.149 0.000 2.321 351 E HA 0.506 4.857 4.350 0.001 0.000 0.278 351 E C -1.675 174.803 176.600 -0.203 0.000 0.902 351 E CA -0.827 55.453 56.400 -0.200 0.000 0.758 351 E CB 2.544 31.976 29.700 -0.448 0.000 1.213 351 E HN 0.177 nan 8.360 nan 0.000 0.426 352 F N -0.020 119.669 119.950 -0.435 0.000 2.668 352 F HA 0.872 5.400 4.527 0.001 0.000 0.309 352 F C -0.753 174.732 175.800 -0.526 0.000 1.117 352 F CA -0.436 57.143 58.000 -0.702 0.000 0.951 352 F CB 1.797 40.428 39.000 -0.615 0.000 1.323 352 F HN 0.565 nan 8.300 nan 0.000 0.451 353 G N 1.476 109.832 108.800 -0.741 0.000 2.340 353 G HA2 0.594 4.554 3.960 0.001 0.000 0.298 353 G HA3 0.594 4.554 3.960 0.001 0.000 0.298 353 G C -2.358 172.177 174.900 -0.608 0.000 1.498 353 G CA -0.359 44.237 45.100 -0.840 0.000 0.847 353 G HN 1.778 nan 8.290 nan 0.000 0.594 354 L N -2.058 118.656 121.223 -0.850 0.000 2.838 354 L HA 0.792 5.132 4.340 0.001 0.000 0.266 354 L C -1.501 174.601 176.870 -1.280 0.000 1.040 354 L CA -1.171 52.837 54.840 -1.386 0.000 0.906 354 L CB 2.077 43.781 42.059 -0.593 0.000 1.501 354 L HN 0.519 nan 8.230 nan 0.000 0.407 355 D N 1.655 121.359 120.400 -1.161 0.000 2.368 355 D HA 0.059 4.699 4.640 0.001 0.000 0.268 355 D C 1.283 177.490 176.300 -0.154 0.000 1.298 355 D CA 0.737 54.501 54.000 -0.394 0.000 0.938 355 D CB 1.417 42.181 40.800 -0.061 0.000 1.101 355 D HN 0.757 nan 8.370 nan 0.000 0.509 356 T N -0.336 114.194 114.554 -0.041 0.000 3.113 356 T HA -0.149 4.201 4.350 0.001 0.000 0.263 356 T C 1.558 176.271 174.700 0.021 0.000 1.143 356 T CA 1.227 63.330 62.100 0.004 0.000 1.090 356 T CB -0.386 68.497 68.868 0.025 0.000 0.922 356 T HN 0.401 nan 8.240 nan 0.000 0.521 357 T N -0.205 114.368 114.554 0.031 0.000 3.129 357 T HA 0.339 4.690 4.350 0.001 0.000 0.251 357 T C 0.588 175.308 174.700 0.034 0.000 1.117 357 T CA -0.451 61.673 62.100 0.040 0.000 1.034 357 T CB -0.635 68.266 68.868 0.056 0.000 0.968 357 T HN 0.402 nan 8.240 nan 0.000 0.526 358 L N 2.373 123.608 121.223 0.019 0.000 2.367 358 L HA 0.351 4.692 4.340 0.001 0.000 0.275 358 L C -2.202 174.691 176.870 0.037 0.000 1.129 358 L CA -2.332 52.520 54.840 0.020 0.000 0.839 358 L CB 0.182 42.237 42.059 -0.007 0.000 1.133 358 L HN -0.024 nan 8.230 nan 0.000 0.453 359 P HA 0.023 nan 4.420 nan 0.000 0.262 359 P C 0.778 178.130 177.300 0.088 0.000 1.182 359 P CA 0.682 63.814 63.100 0.054 0.000 0.761 359 P CB 0.706 32.431 31.700 0.040 0.000 0.795 360 G N 2.478 111.343 108.800 0.109 0.000 2.176 360 G HA2 -0.317 3.644 3.960 0.001 0.000 0.253 360 G HA3 -0.317 3.644 3.960 0.001 0.000 0.253 360 G C 1.182 176.210 174.900 0.213 0.000 0.979 360 G CA 0.472 45.691 45.100 0.198 0.000 0.641 360 G HN 0.672 nan 8.290 nan 0.000 0.530 361 A N 0.330 123.223 122.820 0.121 0.000 1.883 361 A HA 0.044 4.364 4.320 0.001 0.000 0.217 361 A C 2.162 179.828 177.584 0.136 0.000 1.186 361 A CA 2.478 54.574 52.037 0.099 0.000 0.624 361 A CB -0.499 18.533 19.000 0.053 0.000 0.822 361 A HN 0.663 nan 8.150 nan 0.000 0.444 362 R N -0.430 120.135 120.500 0.108 0.000 2.081 362 R HA -0.166 4.175 4.340 0.001 0.000 0.235 362 R C 1.524 177.889 176.300 0.108 0.000 1.131 362 R CA 1.853 58.010 56.100 0.094 0.000 0.960 362 R CB -0.326 30.013 30.300 0.064 0.000 0.856 362 R HN 0.461 nan 8.270 nan 0.000 0.436 363 D N -0.605 119.878 120.400 0.138 0.000 2.123 363 D HA -0.211 4.430 4.640 0.001 0.000 0.196 363 D C 1.541 177.923 176.300 0.137 0.000 0.992 363 D CA 1.215 55.306 54.000 0.153 0.000 0.833 363 D CB -0.436 40.496 40.800 0.220 0.000 0.954 363 D HN 0.287 nan 8.370 nan 0.000 0.455 364 Y N 1.404 121.667 120.300 -0.061 0.000 2.114 364 Y HA -0.179 4.372 4.550 0.001 0.000 0.284 364 Y C 2.222 178.097 175.900 -0.041 0.000 1.143 364 Y CA 1.306 59.250 58.100 -0.260 0.000 1.135 364 Y CB -0.559 37.545 38.460 -0.593 0.000 0.980 364 Y HN -0.094 nan 8.280 nan 0.000 0.499 365 I N 0.407 120.993 120.570 0.027 0.000 2.163 365 I HA -0.337 3.834 4.170 0.001 0.000 0.243 365 I C 2.328 178.522 176.117 0.127 0.000 1.085 365 I CA 2.008 63.404 61.300 0.160 0.000 1.347 365 I CB -0.478 37.702 38.000 0.300 0.000 1.044 365 I HN 0.332 nan 8.210 nan 0.000 0.408 366 E N 0.218 120.462 120.200 0.074 0.000 2.110 366 E HA -0.264 4.087 4.350 0.001 0.000 0.193 366 E C 2.250 178.838 176.600 -0.021 0.000 0.988 366 E CA 0.951 57.384 56.400 0.054 0.000 0.804 366 E CB -0.127 29.594 29.700 0.034 0.000 0.745 366 E HN 0.357 nan 8.360 nan 0.000 0.458 367 R N 0.778 121.223 120.500 -0.091 0.000 2.075 367 R HA -0.117 4.224 4.340 0.001 0.000 0.232 367 R C 2.212 178.347 176.300 -0.275 0.000 1.126 367 R CA 0.985 57.002 56.100 -0.138 0.000 0.963 367 R CB -0.172 30.072 30.300 -0.092 0.000 0.858 367 R HN -0.021 nan 8.270 nan 0.000 0.435 368 V N 0.193 119.798 119.914 -0.515 0.000 2.295 368 V HA -0.258 3.863 4.120 0.001 0.000 0.246 368 V C 1.863 177.584 176.094 -0.622 0.000 1.049 368 V CA 1.799 63.615 62.300 -0.807 0.000 1.024 368 V CB -0.639 30.230 31.823 -1.590 0.000 0.648 368 V HN 0.351 nan 8.190 nan 0.000 0.447 369 Y N 1.241 121.323 120.300 -0.364 0.000 2.224 369 Y HA -0.088 4.463 4.550 0.001 0.000 0.289 369 Y C 2.518 178.303 175.900 -0.191 0.000 1.146 369 Y CA 1.525 59.498 58.100 -0.210 0.000 1.182 369 Y CB -1.006 37.393 38.460 -0.101 0.000 0.983 369 Y HN 0.272 nan 8.280 nan 0.000 0.524 370 G N -1.223 107.539 108.800 -0.063 0.000 2.418 370 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 370 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 370 G C 1.748 176.566 174.900 -0.136 0.000 1.158 370 G CA 1.579 46.605 45.100 -0.122 0.000 0.771 370 G HN 0.318 nan 8.290 nan 0.000 0.545 371 T N 1.702 116.171 114.554 -0.142 0.000 2.708 371 T HA 0.014 4.364 4.350 0.001 0.000 0.266 371 T C 2.840 177.496 174.700 -0.074 0.000 1.037 371 T CA 1.536 63.576 62.100 -0.100 0.000 1.146 371 T CB -0.423 68.380 68.868 -0.109 0.000 0.865 371 T HN 0.367 nan 8.240 nan 0.000 0.435 372 A N 1.836 124.581 122.820 -0.124 0.000 1.908 372 A HA -0.177 4.144 4.320 0.001 0.000 0.218 372 A C 2.287 179.863 177.584 -0.013 0.000 1.181 372 A CA 2.095 54.091 52.037 -0.069 0.000 0.627 372 A CB -0.663 18.250 19.000 -0.145 0.000 0.818 372 A HN 0.474 nan 8.150 nan 0.000 0.445 373 R N -0.068 120.405 120.500 -0.046 0.000 2.083 373 R HA -0.178 4.163 4.340 0.001 0.000 0.237 373 R C 1.989 178.239 176.300 -0.084 0.000 1.137 373 R CA 1.899 57.947 56.100 -0.086 0.000 0.951 373 R CB -0.368 29.666 30.300 -0.444 0.000 0.851 373 R HN 0.668 nan 8.270 nan 0.000 0.434 374 E N -0.033 120.101 120.200 -0.111 0.000 2.153 374 E HA -0.190 4.161 4.350 0.001 0.000 0.194 374 E C 1.871 178.460 176.600 -0.019 0.000 0.988 374 E CA 1.486 57.845 56.400 -0.068 0.000 0.811 374 E CB -0.039 29.620 29.700 -0.069 0.000 0.746 374 E HN 0.468 nan 8.360 nan 0.000 0.466 375 M N -0.693 118.896 119.600 -0.017 0.000 2.595 375 M HA 0.103 4.583 4.480 0.001 0.000 0.248 375 M C 1.022 177.280 176.300 -0.070 0.000 1.119 375 M CA 0.515 55.796 55.300 -0.031 0.000 1.079 375 M CB 0.609 33.198 32.600 -0.018 0.000 1.472 375 M HN 0.194 nan 8.290 nan 0.000 0.501 376 G N 1.580 110.371 108.800 -0.015 0.000 2.249 376 G HA2 -0.189 3.772 3.960 0.001 0.000 0.273 376 G HA3 -0.189 3.772 3.960 0.001 0.000 0.273 376 G C -0.026 174.742 174.900 -0.219 0.000 1.036 376 G CA 0.199 45.242 45.100 -0.095 0.000 0.824 376 G HN 0.676 nan 8.290 nan 0.000 0.504 377 A N -0.452 122.333 122.820 -0.058 0.000 2.303 377 A HA 0.905 5.226 4.320 0.001 0.000 0.317 377 A C 0.982 178.551 177.584 -0.025 0.000 1.149 377 A CA 0.444 52.442 52.037 -0.066 0.000 0.822 377 A CB 1.102 20.096 19.000 -0.010 0.000 1.131 377 A HN 1.685 nan 8.150 nan 0.000 0.493 378 G N -0.491 108.254 108.800 -0.092 0.000 2.572 378 G HA2 0.511 4.472 3.960 0.001 0.000 0.261 378 G HA3 0.511 4.472 3.960 0.001 0.000 0.261 378 G C -0.747 174.131 174.900 -0.036 0.000 1.197 378 G CA -0.211 44.806 45.100 -0.138 0.000 0.870 378 G HN 0.993 nan 8.290 nan 0.000 0.548 379 V N 0.338 120.276 119.914 0.040 0.000 2.623 379 V HA 0.514 4.635 4.120 0.001 0.000 0.304 379 V C -0.295 175.993 176.094 0.323 0.000 1.054 379 V CA -0.860 61.523 62.300 0.138 0.000 0.882 379 V CB 1.993 33.850 31.823 0.057 0.000 1.002 379 V HN 1.014 nan 8.190 nan 0.000 0.424 380 S N 3.835 119.742 115.700 0.345 0.000 2.669 380 S HA 0.566 5.037 4.470 0.001 0.000 0.315 380 S C -0.913 173.819 174.600 0.220 0.000 1.106 380 S CA -0.589 57.792 58.200 0.303 0.000 1.107 380 S CB 0.622 63.994 63.200 0.287 0.000 0.990 380 S HN 0.675 nan 8.310 nan 0.000 0.471 381 Y N 3.839 124.141 120.300 0.004 0.000 2.511 381 Y HA 0.202 4.753 4.550 0.001 0.000 0.332 381 Y C 0.036 176.031 175.900 0.157 0.000 1.177 381 Y CA -0.215 57.859 58.100 -0.043 0.000 1.422 381 Y CB 0.486 38.808 38.460 -0.230 0.000 1.271 381 Y HN 0.832 nan 8.280 nan 0.000 0.550 382 W N 8.663 129.699 121.300 -0.441 0.000 2.357 382 W HA 0.441 5.101 4.660 0.001 0.000 0.317 382 W C -1.114 175.455 176.519 0.084 0.000 1.101 382 W CA -0.025 57.273 57.345 -0.079 0.000 1.380 382 W CB 0.621 30.107 29.460 0.043 0.000 1.266 382 W HN 0.778 nan 8.180 nan 0.000 0.419 383 S N 1.599 117.303 115.700 0.006 0.000 2.727 383 S HA 0.258 4.728 4.470 0.001 0.000 0.278 383 S C 0.548 175.128 174.600 -0.033 0.000 1.186 383 S CA -0.052 57.968 58.200 -0.300 0.000 0.836 383 S CB 1.196 63.527 63.200 -1.448 0.000 1.186 383 S HN 0.349 nan 8.310 nan 0.000 0.499 384 S N -0.590 114.978 115.700 -0.219 0.000 2.561 384 S HA 0.132 4.603 4.470 0.001 0.000 0.225 384 S C -0.038 174.458 174.600 -0.174 0.000 0.977 384 S CA 0.289 58.284 58.200 -0.341 0.000 0.926 384 S CB -1.061 61.925 63.200 -0.357 0.000 0.769 384 S HN 0.708 nan 8.310 nan 0.000 0.533 385 D N 4.142 124.410 120.400 -0.219 0.000 2.449 385 D HA 0.222 4.863 4.640 0.001 0.000 0.236 385 D C -2.401 173.875 176.300 -0.040 0.000 1.149 385 D CA -0.661 53.255 54.000 -0.140 0.000 0.878 385 D CB 0.291 40.959 40.800 -0.220 0.000 1.198 385 D HN 0.232 nan 8.370 nan 0.000 0.446 386 P HA 0.273 nan 4.420 nan 0.000 0.268 386 P C 0.105 177.430 177.300 0.042 0.000 1.204 386 P CA -0.111 63.014 63.100 0.041 0.000 0.768 386 P CB 1.012 32.731 31.700 0.032 0.000 0.842 387 G N 3.558 112.406 108.800 0.080 0.000 2.369 387 G HA2 0.050 4.011 3.960 0.001 0.000 0.307 387 G HA3 0.050 4.011 3.960 0.001 0.000 0.307 387 G C -2.693 172.305 174.900 0.164 0.000 1.327 387 G CA -0.664 44.500 45.100 0.107 0.000 0.963 387 G HN 0.213 nan 8.290 nan 0.000 0.590 388 P HA -0.002 nan 4.420 nan 0.000 0.226 388 P C 1.070 178.556 177.300 0.309 0.000 1.153 388 P CA 1.115 64.348 63.100 0.222 0.000 0.777 388 P CB 0.118 31.948 31.700 0.217 0.000 0.794 389 W N 1.147 122.520 121.300 0.121 0.000 2.518 389 W HA 0.176 4.837 4.660 0.001 0.000 0.273 389 W C 1.792 178.453 176.519 0.237 0.000 1.247 389 W CA 1.259 58.723 57.345 0.199 0.000 1.288 389 W CB -0.996 28.597 29.460 0.221 0.000 1.107 389 W HN -0.110 nan 8.180 nan 0.000 0.586 390 G N -0.120 108.889 108.800 0.348 0.000 2.537 390 G HA2 0.253 4.214 3.960 0.001 0.000 0.297 390 G HA3 0.253 4.214 3.960 0.001 0.000 0.297 390 G C -1.747 173.134 174.900 -0.031 0.000 1.310 390 G CA -0.759 44.445 45.100 0.173 0.000 1.027 390 G HN -0.209 nan 8.290 nan 0.000 0.505 391 P HA 0.040 nan 4.420 nan 0.000 0.225 391 P C -0.729 176.104 177.300 -0.777 0.000 1.156 391 P CA 0.961 63.737 63.100 -0.540 0.000 0.787 391 P CB 0.144 31.386 31.700 -0.763 0.000 0.802 392 Y N -1.153 119.124 120.300 -0.039 0.000 2.442 392 Y HA 0.372 4.923 4.550 0.001 0.000 0.344 392 Y C 0.884 176.785 175.900 0.002 0.000 0.976 392 Y CA -1.307 56.782 58.100 -0.019 0.000 1.040 392 Y CB 1.141 39.579 38.460 -0.036 0.000 1.228 392 Y HN -0.318 nan 8.280 nan 0.000 0.451 393 L N 3.853 125.167 121.223 0.152 0.000 2.476 393 L HA 0.177 4.517 4.340 0.001 0.000 0.255 393 L C -1.375 175.551 176.870 0.092 0.000 1.218 393 L CA -1.552 53.351 54.840 0.105 0.000 0.819 393 L CB 0.384 42.492 42.059 0.081 0.000 1.119 393 L HN 0.446 nan 8.230 nan 0.000 0.485 394 P HA -0.185 nan 4.420 nan 0.000 0.217 394 P C 0.559 177.870 177.300 0.019 0.000 1.148 394 P CA 1.226 64.346 63.100 0.034 0.000 0.828 394 P CB -0.026 31.689 31.700 0.025 0.000 0.783 395 D N -2.055 118.360 120.400 0.025 0.000 2.328 395 D HA 0.080 4.721 4.640 0.001 0.000 0.226 395 D C 1.386 177.688 176.300 0.003 0.000 1.066 395 D CA 0.585 54.590 54.000 0.009 0.000 0.861 395 D CB -0.853 39.954 40.800 0.013 0.000 0.912 395 D HN 0.241 nan 8.370 nan 0.000 0.521 396 G N -0.562 108.250 108.800 0.020 0.000 2.176 396 G HA2 -0.253 3.707 3.960 0.001 0.000 0.232 396 G HA3 -0.253 3.707 3.960 0.001 0.000 0.232 396 G C 0.402 175.369 174.900 0.112 0.000 0.986 396 G CA 0.194 45.294 45.100 -0.000 0.000 0.643 396 G HN 0.447 nan 8.290 nan 0.000 0.522 397 T N 2.211 116.834 114.554 0.115 0.000 2.888 397 T HA 0.407 4.758 4.350 0.001 0.000 0.301 397 T C 0.621 175.426 174.700 0.176 0.000 1.001 397 T CA 0.204 62.377 62.100 0.122 0.000 1.147 397 T CB 1.011 69.923 68.868 0.074 0.000 0.931 397 T HN 0.449 nan 8.240 nan 0.000 0.541 398 Q N 2.100 121.995 119.800 0.159 0.000 2.332 398 Q HA 0.266 4.607 4.340 0.001 0.000 0.263 398 Q C 1.061 177.052 176.000 -0.015 0.000 0.979 398 Q CA -0.333 55.498 55.803 0.047 0.000 0.885 398 Q CB 0.556 29.314 28.738 0.033 0.000 1.218 398 Q HN 0.804 nan 8.270 nan 0.000 0.405 399 T N -1.135 113.366 114.554 -0.088 0.000 2.810 399 T HA 0.129 4.480 4.350 0.001 0.000 0.277 399 T C 0.959 175.624 174.700 -0.059 0.000 0.973 399 T CA -0.825 61.246 62.100 -0.049 0.000 0.949 399 T CB 0.463 69.305 68.868 -0.042 0.000 1.075 399 T HN 0.490 nan 8.240 nan 0.000 0.537 400 L N 0.124 121.329 121.223 -0.030 0.000 2.263 400 L HA 0.041 4.381 4.340 0.001 0.000 0.216 400 L C 2.134 178.972 176.870 -0.054 0.000 1.111 400 L CA 1.319 56.143 54.840 -0.025 0.000 0.773 400 L CB -1.443 40.615 42.059 -0.002 0.000 0.906 400 L HN 0.747 nan 8.230 nan 0.000 0.439 401 L N -1.671 119.496 121.223 -0.093 0.000 2.083 401 L HA -0.161 4.180 4.340 0.001 0.000 0.209 401 L C 2.398 179.192 176.870 -0.127 0.000 1.083 401 L CA 1.517 56.272 54.840 -0.141 0.000 0.752 401 L CB -0.536 41.396 42.059 -0.211 0.000 0.899 401 L HN 0.104 nan 8.230 nan 0.000 0.433 402 V N -0.431 119.403 119.914 -0.133 0.000 2.255 402 V HA -0.314 3.807 4.120 0.001 0.000 0.247 402 V C 2.205 178.277 176.094 -0.038 0.000 1.051 402 V CA 2.085 64.328 62.300 -0.096 0.000 1.018 402 V CB -0.719 31.036 31.823 -0.114 0.000 0.641 402 V HN 0.410 nan 8.190 nan 0.000 0.445 403 D N -0.304 120.080 120.400 -0.027 0.000 2.178 403 D HA -0.111 4.530 4.640 0.001 0.000 0.202 403 D C 2.278 178.569 176.300 -0.015 0.000 0.974 403 D CA 1.607 55.606 54.000 -0.002 0.000 0.841 403 D CB -0.307 40.496 40.800 0.005 0.000 0.953 403 D HN 0.431 nan 8.370 nan 0.000 0.478 404 T N 0.564 115.091 114.554 -0.044 0.000 2.777 404 T HA -0.012 4.339 4.350 0.001 0.000 0.266 404 T C 2.044 176.666 174.700 -0.131 0.000 1.040 404 T CA 0.535 62.595 62.100 -0.066 0.000 1.141 404 T CB -0.034 68.796 68.868 -0.063 0.000 0.868 404 T HN 0.151 nan 8.240 nan 0.000 0.444 405 L N 0.816 121.940 121.223 -0.166 0.000 2.341 405 L HA 0.167 4.508 4.340 0.001 0.000 0.214 405 L C 1.182 177.986 176.870 -0.110 0.000 1.115 405 L CA 0.292 54.978 54.840 -0.258 0.000 0.820 405 L CB -0.417 41.481 42.059 -0.269 0.000 0.944 405 L HN 0.163 nan 8.230 nan 0.000 0.452 406 N N 1.791 120.490 118.700 -0.001 0.000 3.050 406 N HA 0.050 4.791 4.740 0.001 0.000 0.289 406 N C -0.666 174.956 175.510 0.186 0.000 1.209 406 N CA 0.322 53.449 53.050 0.127 0.000 1.154 406 N CB 0.119 38.684 38.487 0.130 0.000 1.444 406 N HN -0.019 nan 8.380 nan 0.000 0.529 407 K N 1.466 121.999 120.400 0.223 0.000 2.395 407 K HA 0.550 4.871 4.320 0.001 0.000 0.247 407 K C -2.684 174.138 176.600 0.370 0.000 0.973 407 K CA -2.166 54.262 56.287 0.235 0.000 0.828 407 K CB 1.130 33.726 32.500 0.160 0.000 1.272 407 K HN 0.146 nan 8.250 nan 0.000 0.439 408 P HA 0.077 nan 4.420 nan 0.000 0.268 408 P C -1.059 176.451 177.300 0.350 0.000 1.205 408 P CA 0.223 63.423 63.100 0.166 0.000 0.771 408 P CB 0.057 31.769 31.700 0.020 0.000 0.858 409 Y N 0.215 120.525 120.300 0.016 0.000 2.581 409 Y HA 0.694 5.244 4.550 0.001 0.000 0.337 409 Y C -3.258 172.415 175.900 -0.378 0.000 1.108 409 Y CA -3.696 54.244 58.100 -0.267 0.000 1.033 409 Y CB 0.170 38.538 38.460 -0.153 0.000 1.318 409 Y HN 0.150 nan 8.280 nan 0.000 0.459 410 P HA 0.430 nan 4.420 nan 0.000 0.281 410 P C -0.269 176.736 177.300 -0.491 0.000 1.252 410 P CA -0.243 62.499 63.100 -0.597 0.000 0.778 410 P CB 1.579 32.896 31.700 -0.638 0.000 0.895 411 R N 2.546 122.776 120.500 -0.450 0.000 2.087 411 R HA 0.372 4.713 4.340 0.001 0.000 0.216 411 R C 0.320 176.529 176.300 -0.152 0.000 1.114 411 R CA 0.732 56.666 56.100 -0.278 0.000 1.002 411 R CB 0.197 30.330 30.300 -0.278 0.000 0.903 411 R HN 0.495 nan 8.270 nan 0.000 0.445 412 A N 0.838 123.554 122.820 -0.173 0.000 2.442 412 A HA 0.502 4.822 4.320 0.001 0.000 0.284 412 A C -1.079 176.411 177.584 -0.157 0.000 1.058 412 A CA -0.580 51.375 52.037 -0.136 0.000 0.738 412 A CB 1.546 20.494 19.000 -0.087 0.000 1.242 412 A HN -0.032 nan 8.150 nan 0.000 0.421 413 V N 1.726 121.532 119.914 -0.181 0.000 2.483 413 V HA 0.619 4.740 4.120 0.001 0.000 0.295 413 V C 0.895 176.907 176.094 -0.137 0.000 1.035 413 V CA -0.111 62.080 62.300 -0.183 0.000 0.896 413 V CB 1.761 33.438 31.823 -0.243 0.000 0.986 413 V HN 1.222 nan 8.190 nan 0.000 0.447 414 A N 3.879 126.635 122.820 -0.107 0.000 3.037 414 A HA 0.702 5.023 4.320 0.001 0.000 0.272 414 A C 0.823 178.364 177.584 -0.072 0.000 1.723 414 A CA 0.624 52.616 52.037 -0.075 0.000 1.413 414 A CB -1.030 17.934 19.000 -0.059 0.000 1.112 414 A HN 1.774 nan 8.150 nan 0.000 0.606 415 G N -0.360 108.391 108.800 -0.082 0.000 2.353 415 G HA2 0.211 4.172 3.960 0.001 0.000 0.424 415 G HA3 0.211 4.172 3.960 0.001 0.000 0.424 415 G C -0.506 174.320 174.900 -0.122 0.000 1.320 415 G CA -0.497 44.558 45.100 -0.074 0.000 0.995 415 G HN 0.555 nan 8.290 nan 0.000 0.580 416 T N 3.440 117.939 114.554 -0.092 0.000 2.749 416 T HA 0.563 4.913 4.350 0.001 0.000 0.295 416 T C -2.277 172.352 174.700 -0.119 0.000 0.936 416 T CA -0.533 61.491 62.100 -0.126 0.000 1.060 416 T CB 1.535 70.401 68.868 -0.003 0.000 0.904 416 T HN 0.486 nan 8.240 nan 0.000 0.500 417 P HA 0.163 nan 4.420 nan 0.000 0.281 417 P C 0.962 178.317 177.300 0.091 0.000 1.286 417 P CA -0.316 62.747 63.100 -0.061 0.000 0.772 417 P CB 0.751 32.387 31.700 -0.107 0.000 0.862 418 T N 0.406 115.020 114.554 0.099 0.000 3.009 418 T HA 0.041 4.392 4.350 0.001 0.000 0.258 418 T C 0.403 175.181 174.700 0.131 0.000 1.063 418 T CA 0.397 62.564 62.100 0.111 0.000 1.139 418 T CB -0.205 68.704 68.868 0.070 0.000 0.890 418 T HN 0.585 nan 8.240 nan 0.000 0.471 419 E N -0.368 119.929 120.200 0.162 0.000 2.388 419 E HA 0.504 4.854 4.350 0.001 0.000 0.281 419 E C -1.567 175.199 176.600 0.277 0.000 1.046 419 E CA -1.460 55.030 56.400 0.150 0.000 0.825 419 E CB 0.862 30.600 29.700 0.063 0.000 1.243 419 E HN 0.493 nan 8.360 nan 0.000 0.438 420 W N 0.672 121.992 121.300 0.034 0.000 3.005 420 W HA 0.740 5.401 4.660 0.001 0.000 0.343 420 W C -1.695 174.847 176.519 0.039 0.000 1.243 420 W CA -0.605 56.758 57.345 0.030 0.000 1.186 420 W CB 0.900 30.379 29.460 0.031 0.000 1.453 420 W HN 1.016 nan 8.180 nan 0.000 0.575 421 S N 0.782 116.651 115.700 0.281 0.000 2.570 421 S HA 0.801 5.271 4.470 0.001 0.000 0.270 421 S C -0.920 173.853 174.600 0.289 0.000 1.149 421 S CA -0.392 57.870 58.200 0.104 0.000 0.837 421 S CB 1.729 64.952 63.200 0.038 0.000 1.124 421 S HN 1.345 nan 8.310 nan 0.000 0.465 422 S N 0.070 115.898 115.700 0.213 0.000 2.547 422 S HA 0.874 5.344 4.470 0.001 0.000 0.270 422 S C -0.487 174.202 174.600 0.148 0.000 1.150 422 S CA -0.198 58.143 58.200 0.235 0.000 0.850 422 S CB 1.277 64.693 63.200 0.360 0.000 1.118 422 S HN 1.710 nan 8.310 nan 0.000 0.461 423 T N -0.854 113.782 114.554 0.136 0.000 2.773 423 T HA 0.598 4.949 4.350 0.001 0.000 0.278 423 T C 1.095 175.864 174.700 0.116 0.000 1.011 423 T CA -0.218 61.939 62.100 0.095 0.000 1.014 423 T CB 0.781 69.683 68.868 0.056 0.000 1.293 423 T HN 0.532 nan 8.240 nan 0.000 0.554 424 S N 1.266 117.010 115.700 0.074 0.000 2.402 424 S HA -0.091 4.380 4.470 0.001 0.000 0.233 424 S C 0.983 175.613 174.600 0.049 0.000 1.030 424 S CA 1.781 60.024 58.200 0.072 0.000 1.003 424 S CB -0.539 62.676 63.200 0.025 0.000 0.813 424 S HN 0.951 nan 8.310 nan 0.000 0.477 425 D N -0.615 119.760 120.400 -0.043 0.000 2.673 425 D HA 0.256 4.897 4.640 0.001 0.000 0.278 425 D C 0.093 176.298 176.300 -0.157 0.000 1.393 425 D CA -0.359 53.445 54.000 -0.328 0.000 0.805 425 D CB -0.055 40.519 40.800 -0.377 0.000 1.110 425 D HN 0.159 nan 8.370 nan 0.000 0.476 426 R N -0.135 120.455 120.500 0.150 0.000 2.594 426 R HA 0.612 4.952 4.340 0.001 0.000 0.265 426 R C -2.298 174.137 176.300 0.226 0.000 1.070 426 R CA -0.843 55.378 56.100 0.203 0.000 0.909 426 R CB 1.572 31.925 30.300 0.089 0.000 1.243 426 R HN 0.140 nan 8.270 nan 0.000 0.455 427 L N 2.628 123.961 121.223 0.184 0.000 2.431 427 L HA 0.534 4.874 4.340 0.001 0.000 0.266 427 L C -1.559 175.369 176.870 0.097 0.000 0.978 427 L CA -0.306 54.614 54.840 0.133 0.000 0.822 427 L CB 2.140 44.221 42.059 0.037 0.000 1.310 427 L HN 0.764 nan 8.230 nan 0.000 0.409 428 Q N 3.780 123.661 119.800 0.135 0.000 2.356 428 Q HA 0.658 4.999 4.340 0.001 0.000 0.270 428 Q C -2.058 174.036 176.000 0.157 0.000 1.058 428 Q CA -0.802 55.063 55.803 0.104 0.000 0.802 428 Q CB 2.496 31.288 28.738 0.089 0.000 1.303 428 Q HN 0.659 nan 8.270 nan 0.000 0.444 429 L N 2.105 123.384 121.223 0.094 0.000 2.464 429 L HA 0.607 4.948 4.340 0.001 0.000 0.266 429 L C -1.525 175.380 176.870 0.059 0.000 0.965 429 L CA 0.120 55.023 54.840 0.105 0.000 0.833 429 L CB 2.605 44.659 42.059 -0.009 0.000 1.296 429 L HN 0.595 nan 8.230 nan 0.000 0.405 430 T N 6.122 120.725 114.554 0.082 0.000 2.794 430 T HA 0.692 5.043 4.350 0.001 0.000 0.280 430 T C -0.307 174.409 174.700 0.027 0.000 0.987 430 T CA -0.118 62.009 62.100 0.044 0.000 0.993 430 T CB 0.890 69.789 68.868 0.050 0.000 0.939 430 T HN 0.462 nan 8.240 nan 0.000 0.449 431 I N 2.173 122.743 120.570 -0.001 0.000 2.465 431 I HA 0.343 4.514 4.170 0.001 0.000 0.291 431 I C 0.298 176.407 176.117 -0.014 0.000 1.014 431 I CA -0.828 60.458 61.300 -0.023 0.000 1.093 431 I CB 2.107 40.080 38.000 -0.046 0.000 1.267 431 I HN 0.556 nan 8.210 nan 0.000 0.431 432 E N 8.384 128.577 120.200 -0.012 0.000 2.105 432 E HA 0.275 4.625 4.350 0.001 0.000 0.285 432 E C -2.259 174.333 176.600 -0.014 0.000 1.055 432 E CA -1.809 54.588 56.400 -0.004 0.000 0.843 432 E CB 0.946 30.652 29.700 0.009 0.000 1.067 432 E HN 0.250 nan 8.360 nan 0.000 0.398 433 P HA 0.088 nan 4.420 nan 0.000 0.272 433 P C -0.818 176.475 177.300 -0.012 0.000 1.230 433 P CA -0.051 63.040 63.100 -0.016 0.000 0.788 433 P CB 0.761 32.453 31.700 -0.013 0.000 0.949 434 D N 0.220 120.612 120.400 -0.014 0.000 2.386 434 D HA 0.339 4.979 4.640 0.001 0.000 0.247 434 D C 0.770 177.065 176.300 -0.008 0.000 1.336 434 D CA -0.683 53.313 54.000 -0.008 0.000 0.976 434 D CB 1.137 41.932 40.800 -0.008 0.000 1.257 434 D HN 0.227 nan 8.370 nan 0.000 0.570 435 A N 2.919 125.736 122.820 -0.005 0.000 2.070 435 A HA 0.073 4.393 4.320 0.001 0.000 0.220 435 A C 1.970 179.553 177.584 -0.003 0.000 1.159 435 A CA 1.658 53.692 52.037 -0.005 0.000 0.656 435 A CB -0.164 18.834 19.000 -0.003 0.000 0.800 435 A HN 0.574 nan 8.150 nan 0.000 0.453 436 A N -0.406 122.414 122.820 -0.000 0.000 2.066 436 A HA 0.215 4.535 4.320 0.001 0.000 0.218 436 A C 0.961 178.546 177.584 0.001 0.000 1.157 436 A CA 0.288 52.327 52.037 0.002 0.000 0.670 436 A CB -0.354 18.650 19.000 0.007 0.000 0.804 436 A HN 0.464 nan 8.150 nan 0.000 0.453 437 I N 1.201 121.769 120.570 -0.003 0.000 2.396 437 I HA 0.073 4.244 4.170 0.001 0.000 0.289 437 I C 1.549 177.661 176.117 -0.009 0.000 1.056 437 I CA 0.239 61.535 61.300 -0.006 0.000 1.365 437 I CB 1.468 39.459 38.000 -0.014 0.000 1.407 437 I HN 0.324 nan 8.210 nan 0.000 0.509 438 T N 1.779 116.330 114.554 -0.006 0.000 3.015 438 T HA 0.269 4.620 4.350 0.001 0.000 0.250 438 T C 0.858 175.552 174.700 -0.009 0.000 1.057 438 T CA -0.118 61.978 62.100 -0.006 0.000 1.066 438 T CB 0.263 69.130 68.868 -0.002 0.000 0.959 438 T HN 0.557 nan 8.240 nan 0.000 0.488 439 A N 3.742 126.556 122.820 -0.010 0.000 2.407 439 A HA 0.583 4.903 4.320 0.001 0.000 0.248 439 A C -2.038 175.531 177.584 -0.024 0.000 1.082 439 A CA -1.369 50.660 52.037 -0.013 0.000 0.785 439 A CB -0.090 18.903 19.000 -0.011 0.000 1.020 439 A HN 0.369 nan 8.150 nan 0.000 0.489 440 P HA 0.209 nan 4.420 nan 0.000 0.276 440 P C -0.261 177.006 177.300 -0.054 0.000 1.252 440 P CA -0.191 62.887 63.100 -0.037 0.000 0.802 440 P CB 0.398 32.081 31.700 -0.029 0.000 1.035 441 T N 1.348 115.859 114.554 -0.071 0.000 2.916 441 T HA 0.096 4.447 4.350 0.001 0.000 0.303 441 T C 0.161 174.798 174.700 -0.105 0.000 1.025 441 T CA 0.309 62.349 62.100 -0.101 0.000 1.142 441 T CB -0.003 68.795 68.868 -0.117 0.000 0.947 441 T HN 0.413 nan 8.240 nan 0.000 0.544 442 E N 3.182 123.307 120.200 -0.125 0.000 2.176 442 E HA 0.534 4.885 4.350 0.001 0.000 0.267 442 E C -1.145 175.342 176.600 -0.189 0.000 0.893 442 E CA -0.573 55.756 56.400 -0.118 0.000 0.761 442 E CB 0.857 30.505 29.700 -0.086 0.000 1.133 442 E HN 0.525 nan 8.360 nan 0.000 0.409 443 I N 3.935 124.392 120.570 -0.188 0.000 2.582 443 I HA 0.225 4.395 4.170 0.001 0.000 0.292 443 I C -1.147 174.840 176.117 -0.217 0.000 1.066 443 I CA -1.116 60.016 61.300 -0.281 0.000 1.053 443 I CB 1.679 39.502 38.000 -0.296 0.000 1.241 443 I HN 0.556 nan 8.210 nan 0.000 0.421 444 Y N 6.968 126.992 120.300 -0.460 0.000 2.313 444 Y HA 0.643 5.194 4.550 0.001 0.000 0.332 444 Y C -1.303 174.454 175.900 -0.238 0.000 1.071 444 Y CA -0.589 57.327 58.100 -0.306 0.000 1.169 444 Y CB 0.763 38.984 38.460 -0.398 0.000 1.192 444 Y HN 0.340 nan 8.280 nan 0.000 0.487 445 L N 9.597 130.298 121.223 -0.870 0.000 2.372 445 L HA 0.449 4.789 4.340 0.001 0.000 0.274 445 L C -2.451 173.935 176.870 -0.805 0.000 0.988 445 L CA -2.282 52.002 54.840 -0.926 0.000 0.833 445 L CB 1.974 43.403 42.059 -1.050 0.000 1.236 445 L HN 0.547 nan 8.230 nan 0.000 0.410 446 P HA 0.029 nan 4.420 nan 0.000 0.271 446 P C 0.255 177.618 177.300 0.105 0.000 1.216 446 P CA -0.113 62.876 63.100 -0.185 0.000 0.776 446 P CB 1.184 32.906 31.700 0.037 0.000 0.881 447 E N 2.380 122.659 120.200 0.131 0.000 2.204 447 E HA -0.153 4.197 4.350 0.001 0.000 0.194 447 E C 1.885 178.571 176.600 0.142 0.000 0.989 447 E CA 1.053 57.554 56.400 0.168 0.000 0.824 447 E CB -0.342 29.432 29.700 0.122 0.000 0.756 447 E HN 0.489 nan 8.360 nan 0.000 0.477 448 A N 0.554 123.442 122.820 0.113 0.000 1.873 448 A HA -0.161 4.159 4.320 0.001 0.000 0.218 448 A C 2.360 179.967 177.584 0.039 0.000 1.193 448 A CA 1.943 54.023 52.037 0.072 0.000 0.629 448 A CB -1.146 17.894 19.000 0.067 0.000 0.826 448 A HN 0.435 nan 8.150 nan 0.000 0.447 449 G N -2.730 106.100 108.800 0.051 0.000 2.603 449 G HA2 0.278 4.239 3.960 0.001 0.000 0.214 449 G HA3 0.278 4.239 3.960 0.001 0.000 0.214 449 G C 0.210 174.893 174.900 -0.362 0.000 1.140 449 G CA 0.160 45.178 45.100 -0.137 0.000 0.800 449 G HN 0.343 nan 8.290 nan 0.000 0.533 450 F N 1.142 121.098 119.950 0.010 0.000 2.531 450 F HA 0.333 4.860 4.527 0.001 0.000 0.333 450 F C -1.533 174.338 175.800 0.119 0.000 1.292 450 F CA -2.290 55.732 58.000 0.037 0.000 1.184 450 F CB 2.153 41.147 39.000 -0.010 0.000 1.426 450 F HN -0.058 nan 8.300 nan 0.000 0.559 451 P HA 0.087 nan 4.420 nan 0.000 0.233 451 P C 0.878 178.280 177.300 0.170 0.000 1.167 451 P CA 0.820 64.007 63.100 0.145 0.000 0.770 451 P CB 0.897 32.639 31.700 0.070 0.000 0.837 452 G N -0.771 108.163 108.800 0.223 0.000 3.259 452 G HA2 0.191 4.152 3.960 0.001 0.000 0.193 452 G HA3 0.191 4.152 3.960 0.001 0.000 0.193 452 G C -0.955 174.194 174.900 0.415 0.000 1.457 452 G CA 0.055 45.295 45.100 0.234 0.000 0.771 452 G HN 0.034 nan 8.290 nan 0.000 0.765 453 D N -0.488 120.100 120.400 0.313 0.000 2.432 453 D HA 0.503 5.144 4.640 0.001 0.000 0.258 453 D C 0.346 176.729 176.300 0.138 0.000 1.146 453 D CA -0.139 54.064 54.000 0.337 0.000 1.015 453 D CB 1.723 42.653 40.800 0.217 0.000 1.107 453 D HN 0.429 nan 8.370 nan 0.000 0.529 454 V N -0.941 118.934 119.914 -0.064 0.000 2.769 454 V HA 0.488 4.608 4.120 0.001 0.000 0.312 454 V C -0.481 175.618 176.094 0.009 0.000 1.058 454 V CA -0.686 61.528 62.300 -0.144 0.000 0.952 454 V CB 1.729 33.229 31.823 -0.538 0.000 1.019 454 V HN 0.623 nan 8.190 nan 0.000 0.445 455 H N 2.006 121.045 119.070 -0.052 0.000 2.587 455 H HA 0.706 5.263 4.556 0.001 0.000 0.325 455 H C -1.811 173.488 175.328 -0.049 0.000 1.012 455 H CA -0.437 55.589 56.048 -0.037 0.000 1.213 455 H CB 1.981 31.733 29.762 -0.017 0.000 1.431 455 H HN 0.647 nan 8.280 nan 0.000 0.492 456 V N 6.223 125.874 119.914 -0.438 0.000 2.409 456 V HA 0.211 4.332 4.120 0.001 0.000 0.291 456 V C -0.202 175.655 176.094 -0.395 0.000 1.020 456 V CA -0.742 61.358 62.300 -0.334 0.000 0.848 456 V CB 1.736 33.427 31.823 -0.219 0.000 0.990 456 V HN 0.772 nan 8.190 nan 0.000 0.430 457 E N 2.796 122.826 120.200 -0.283 0.000 2.179 457 E HA 0.584 4.935 4.350 0.001 0.000 0.275 457 E C 0.872 177.408 176.600 -0.106 0.000 0.945 457 E CA 0.068 56.359 56.400 -0.181 0.000 0.792 457 E CB 1.875 31.510 29.700 -0.108 0.000 1.125 457 E HN 0.994 nan 8.360 nan 0.000 0.397 458 G N 1.684 110.436 108.800 -0.081 0.000 2.175 458 G HA2 -0.182 3.779 3.960 0.001 0.000 0.244 458 G HA3 -0.182 3.779 3.960 0.001 0.000 0.244 458 G C 0.037 174.901 174.900 -0.060 0.000 0.982 458 G CA 0.017 45.083 45.100 -0.056 0.000 0.641 458 G HN 0.819 nan 8.290 nan 0.000 0.527 459 A N -0.703 122.071 122.820 -0.077 0.000 2.606 459 A HA 0.670 4.991 4.320 0.001 0.000 0.293 459 A C -1.458 176.081 177.584 -0.074 0.000 1.082 459 A CA -0.370 51.624 52.037 -0.071 0.000 0.685 459 A CB 1.183 20.135 19.000 -0.080 0.000 1.284 459 A HN 0.108 nan 8.150 nan 0.000 0.408 460 D N 1.045 121.410 120.400 -0.058 0.000 2.198 460 D HA 0.418 5.058 4.640 0.001 0.000 0.245 460 D C -0.143 176.128 176.300 -0.048 0.000 1.079 460 D CA 0.003 53.974 54.000 -0.048 0.000 0.854 460 D CB 1.837 42.618 40.800 -0.031 0.000 1.148 460 D HN 0.213 nan 8.370 nan 0.000 0.456 461 V N 2.909 122.797 119.914 -0.045 0.000 2.521 461 V HA -0.018 4.103 4.120 0.001 0.000 0.286 461 V C 1.476 177.568 176.094 -0.003 0.000 1.034 461 V CA -0.134 62.148 62.300 -0.030 0.000 1.045 461 V CB 1.321 33.132 31.823 -0.021 0.000 0.974 461 V HN 0.403 nan 8.190 nan 0.000 0.480 462 V N 3.941 123.857 119.914 0.003 0.000 2.492 462 V HA 0.392 4.513 4.120 0.001 0.000 0.241 462 V C 1.046 177.163 176.094 0.038 0.000 1.041 462 V CA 1.389 63.697 62.300 0.013 0.000 1.057 462 V CB 0.072 31.897 31.823 0.003 0.000 0.711 462 V HN 0.963 nan 8.190 nan 0.000 0.468 463 G N -1.768 107.071 108.800 0.065 0.000 2.720 463 G HA2 0.474 4.435 3.960 0.001 0.000 0.295 463 G HA3 0.474 4.435 3.960 0.001 0.000 0.295 463 G C -2.200 172.831 174.900 0.218 0.000 1.437 463 G CA -0.444 44.719 45.100 0.105 0.000 0.886 463 G HN 0.151 nan 8.290 nan 0.000 0.509 464 W N 3.347 124.631 121.300 -0.027 0.000 2.591 464 W HA 0.431 5.092 4.660 0.001 0.000 0.311 464 W C -1.719 174.790 176.519 -0.017 0.000 1.003 464 W CA -0.813 56.511 57.345 -0.033 0.000 1.332 464 W CB 1.749 31.190 29.460 -0.031 0.000 1.272 464 W HN 0.469 nan 8.180 nan 0.000 0.412 465 D N 5.219 125.463 120.400 -0.259 0.000 2.396 465 D HA 0.202 4.843 4.640 0.001 0.000 0.225 465 D C 1.056 176.845 176.300 -0.850 0.000 1.121 465 D CA -0.040 53.706 54.000 -0.423 0.000 0.853 465 D CB 1.087 41.798 40.800 -0.148 0.000 1.043 465 D HN 0.534 nan 8.370 nan 0.000 0.500 466 R N 2.195 122.143 120.500 -0.920 0.000 2.299 466 R HA 0.017 4.357 4.340 0.001 0.000 0.197 466 R C 1.562 177.642 176.300 -0.367 0.000 0.971 466 R CA 0.584 56.165 56.100 -0.865 0.000 1.030 466 R CB 0.551 30.481 30.300 -0.616 0.000 0.932 466 R HN 0.530 nan 8.270 nan 0.000 0.477 467 Q N -0.184 119.470 119.800 -0.245 0.000 2.178 467 Q HA -0.017 4.324 4.340 0.001 0.000 0.195 467 Q C 2.100 178.107 176.000 0.012 0.000 0.960 467 Q CA 1.411 57.162 55.803 -0.087 0.000 0.843 467 Q CB 0.281 28.982 28.738 -0.062 0.000 0.927 467 Q HN 0.274 nan 8.270 nan 0.000 0.487 468 S N -0.009 115.703 115.700 0.021 0.000 2.489 468 S HA -0.032 4.439 4.470 0.001 0.000 0.228 468 S C 0.619 175.371 174.600 0.253 0.000 0.995 468 S CA 0.122 58.433 58.200 0.184 0.000 0.934 468 S CB 0.166 63.436 63.200 0.117 0.000 0.771 468 S HN 0.222 nan 8.310 nan 0.000 0.522 469 R N -0.142 120.401 120.500 0.071 0.000 3.872 469 R HA -0.083 4.257 4.340 0.001 0.000 0.341 469 R C -1.010 175.488 176.300 0.330 0.000 1.172 469 R CA 0.588 56.781 56.100 0.154 0.000 0.901 469 R CB -2.909 27.556 30.300 0.275 0.000 1.422 469 R HN 0.544 nan 8.270 nan 0.000 0.523 470 L N 1.223 122.596 121.223 0.249 0.000 2.265 470 L HA 0.419 4.760 4.340 0.001 0.000 0.289 470 L C 0.433 177.517 176.870 0.356 0.000 1.033 470 L CA -0.986 53.999 54.840 0.243 0.000 0.814 470 L CB 1.182 43.324 42.059 0.138 0.000 1.203 470 L HN -0.081 nan 8.230 nan 0.000 0.423 471 L N 4.313 125.703 121.223 0.280 0.000 2.292 471 L HA 0.505 4.845 4.340 0.001 0.000 0.284 471 L C 0.224 177.108 176.870 0.023 0.000 1.065 471 L CA 0.362 55.296 54.840 0.158 0.000 0.806 471 L CB 1.554 43.472 42.059 -0.234 0.000 1.175 471 L HN 0.645 nan 8.230 nan 0.000 0.431 472 T N 3.324 117.901 114.554 0.038 0.000 2.807 472 T HA 0.740 5.091 4.350 0.001 0.000 0.279 472 T C -0.327 174.354 174.700 -0.031 0.000 0.993 472 T CA -0.504 61.590 62.100 -0.011 0.000 0.970 472 T CB 1.351 70.224 68.868 0.008 0.000 0.950 472 T HN 0.714 nan 8.240 nan 0.000 0.441 473 V N 0.357 120.235 119.914 -0.059 0.000 3.102 473 V HA 0.847 4.968 4.120 0.001 0.000 0.312 473 V C -0.693 175.368 176.094 -0.055 0.000 1.135 473 V CA -1.531 60.731 62.300 -0.064 0.000 1.022 473 V CB 2.099 33.866 31.823 -0.093 0.000 1.056 473 V HN 1.095 nan 8.190 nan 0.000 0.436 474 R N 1.051 121.522 120.500 -0.048 0.000 2.561 474 R HA 0.790 5.130 4.340 0.001 0.000 0.297 474 R C -0.681 175.594 176.300 -0.042 0.000 0.969 474 R CA 0.160 56.236 56.100 -0.040 0.000 0.879 474 R CB 2.096 32.379 30.300 -0.029 0.000 1.178 474 R HN 1.178 nan 8.270 nan 0.000 0.445 475 T N 1.182 115.712 114.554 -0.040 0.000 2.907 475 T HA 0.581 4.932 4.350 0.001 0.000 0.292 475 T C -2.336 172.347 174.700 -0.028 0.000 1.043 475 T CA -1.694 60.384 62.100 -0.037 0.000 1.003 475 T CB 1.610 70.453 68.868 -0.042 0.000 1.084 475 T HN 0.411 nan 8.240 nan 0.000 0.483 476 P HA 0.421 nan 4.420 nan 0.000 0.272 476 P C 0.089 177.379 177.300 -0.017 0.000 1.223 476 P CA -0.613 62.476 63.100 -0.018 0.000 0.784 476 P CB 0.779 32.470 31.700 -0.015 0.000 0.923 477 A N 1.229 124.041 122.820 -0.013 0.000 2.390 477 A HA 0.065 4.386 4.320 0.001 0.000 0.232 477 A C 0.919 178.498 177.584 -0.008 0.000 1.233 477 A CA 0.205 52.235 52.037 -0.012 0.000 0.907 477 A CB -0.221 18.773 19.000 -0.011 0.000 0.967 477 A HN 0.595 nan 8.150 nan 0.000 0.512 478 D N -1.438 118.958 120.400 -0.007 0.000 2.462 478 D HA 0.191 4.831 4.640 0.001 0.000 0.221 478 D C 0.237 176.534 176.300 -0.004 0.000 1.173 478 D CA 0.318 54.315 54.000 -0.005 0.000 0.831 478 D CB -0.074 40.723 40.800 -0.004 0.000 1.001 478 D HN 0.021 nan 8.370 nan 0.000 0.499 479 S N -0.304 115.393 115.700 -0.005 0.000 2.855 479 S HA 0.570 5.041 4.470 0.001 0.000 0.249 479 S C 0.771 175.369 174.600 -0.004 0.000 1.033 479 S CA -0.137 58.060 58.200 -0.005 0.000 1.038 479 S CB 0.908 64.104 63.200 -0.007 0.000 0.960 479 S HN 0.732 nan 8.310 nan 0.000 0.548 480 G N 2.615 111.413 108.800 -0.003 0.000 2.642 480 G HA2 -0.224 3.737 3.960 0.001 0.000 0.231 480 G HA3 -0.224 3.737 3.960 0.001 0.000 0.231 480 G C -0.784 174.115 174.900 -0.002 0.000 1.338 480 G CA -0.886 44.214 45.100 -0.001 0.000 0.883 480 G HN 0.380 nan 8.290 nan 0.000 0.570 481 N N -0.456 118.245 118.700 0.001 0.000 2.492 481 N HA 0.419 5.160 4.740 0.001 0.000 0.262 481 N C 0.148 175.657 175.510 -0.002 0.000 1.202 481 N CA 0.035 53.086 53.050 0.001 0.000 0.926 481 N CB 1.415 39.907 38.487 0.008 0.000 1.078 481 N HN 0.667 nan 8.380 nan 0.000 0.454 482 V N 1.719 121.629 119.914 -0.006 0.000 2.459 482 V HA 0.375 4.496 4.120 0.001 0.000 0.295 482 V C 0.176 176.265 176.094 -0.009 0.000 1.029 482 V CA -0.641 61.653 62.300 -0.011 0.000 0.874 482 V CB 1.857 33.667 31.823 -0.021 0.000 0.985 482 V HN 0.583 nan 8.190 nan 0.000 0.438 483 T N 4.425 118.975 114.554 -0.007 0.000 2.758 483 T HA 0.543 4.894 4.350 0.001 0.000 0.285 483 T C -0.314 174.377 174.700 -0.015 0.000 0.981 483 T CA -0.297 61.803 62.100 -0.001 0.000 0.965 483 T CB 1.341 70.215 68.868 0.010 0.000 0.927 483 T HN 0.363 nan 8.240 nan 0.000 0.448 484 V N 4.062 123.963 119.914 -0.021 0.000 2.435 484 V HA 0.546 4.667 4.120 0.001 0.000 0.290 484 V C 0.225 176.300 176.094 -0.031 0.000 1.030 484 V CA -0.669 61.605 62.300 -0.044 0.000 0.881 484 V CB 1.749 33.532 31.823 -0.067 0.000 0.983 484 V HN 0.939 nan 8.190 nan 0.000 0.445 485 T N 4.196 118.726 114.554 -0.040 0.000 2.840 485 T HA 0.586 4.937 4.350 0.001 0.000 0.287 485 T C -0.553 174.126 174.700 -0.034 0.000 0.991 485 T CA -0.410 61.682 62.100 -0.014 0.000 0.964 485 T CB 1.615 70.488 68.868 0.009 0.000 0.954 485 T HN 0.351 nan 8.240 nan 0.000 0.438 486 V N 4.196 124.106 119.914 -0.007 0.000 2.409 486 V HA 0.767 4.888 4.120 0.001 0.000 0.291 486 V C 0.325 176.523 176.094 0.173 0.000 1.020 486 V CA -0.750 61.546 62.300 -0.007 0.000 0.848 486 V CB 1.484 33.220 31.823 -0.144 0.000 0.990 486 V HN 1.113 nan 8.190 nan 0.000 0.430 487 T N 3.324 118.008 114.554 0.216 0.000 2.883 487 T HA 0.727 5.078 4.350 0.001 0.000 0.296 487 T C -3.194 171.616 174.700 0.184 0.000 1.117 487 T CA -2.479 59.743 62.100 0.204 0.000 1.006 487 T CB 2.486 71.418 68.868 0.106 0.000 1.191 487 T HN 0.351 nan 8.240 nan 0.000 0.508 488 P HA 0.447 nan 4.420 nan 0.000 0.275 488 P C -0.403 176.897 177.300 -0.001 0.000 1.228 488 P CA -0.387 62.659 63.100 -0.090 0.000 0.786 488 P CB 0.143 31.652 31.700 -0.318 0.000 0.927 489 A N 2.406 125.254 122.820 0.046 0.000 2.483 489 A HA 0.439 4.760 4.320 0.001 0.000 0.238 489 A C 0.797 178.371 177.584 -0.017 0.000 1.070 489 A CA 0.196 52.253 52.037 0.034 0.000 0.770 489 A CB -0.558 18.483 19.000 0.069 0.000 1.008 489 A HN 0.636 nan 8.150 nan 0.000 0.497 490 A N 0.000 122.792 122.820 -0.047 0.000 2.254 490 A HA 0.000 4.321 4.320 0.001 0.000 0.244 490 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 490 A CB 0.000 18.952 19.000 -0.080 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486