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 2oyk_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 0.000 177.254 177.300 -0.077 0.000 1.155 43 P CA 0.000 63.051 63.100 -0.082 0.000 0.800 43 P CB 0.000 31.595 31.700 -0.175 0.000 0.726 44 S N -0.138 115.456 115.700 -0.178 0.000 2.593 44 S HA 0.866 5.336 4.470 0.001 0.000 0.297 44 S C -1.068 173.334 174.600 -0.330 0.000 1.112 44 S CA -0.669 57.479 58.200 -0.086 0.000 1.043 44 S CB 1.224 64.421 63.200 -0.005 0.000 1.054 44 S HN 0.363 nan 8.310 nan 0.000 0.516 45 Y N -0.017 120.237 120.300 -0.076 0.000 2.499 45 Y HA 0.547 5.098 4.550 0.001 0.000 0.347 45 Y C -0.261 175.456 175.900 -0.304 0.000 0.987 45 Y CA -1.209 56.792 58.100 -0.166 0.000 1.044 45 Y CB 1.096 39.499 38.460 -0.095 0.000 1.245 45 Y HN 0.539 nan 8.280 nan 0.000 0.461 46 L N 3.716 124.689 121.223 -0.417 0.000 2.467 46 L HA 0.171 4.512 4.340 0.001 0.000 0.270 46 L C -0.194 176.597 176.870 -0.132 0.000 1.205 46 L CA 0.199 54.633 54.840 -0.677 0.000 0.828 46 L CB 0.091 41.616 42.059 -0.889 0.000 1.101 46 L HN 0.442 nan 8.230 nan 0.000 0.479 47 K N 1.133 121.577 120.400 0.073 0.000 2.318 47 K HA 0.418 4.739 4.320 0.001 0.000 0.249 47 K C -0.889 175.786 176.600 0.125 0.000 0.942 47 K CA -0.926 55.430 56.287 0.115 0.000 0.808 47 K CB 1.701 34.302 32.500 0.168 0.000 1.189 47 K HN 0.606 nan 8.250 nan 0.000 0.428 48 D N -0.398 120.046 120.400 0.074 0.000 2.447 48 D HA 0.071 4.712 4.640 0.001 0.000 0.265 48 D C 0.261 176.608 176.300 0.078 0.000 1.250 48 D CA -0.213 53.831 54.000 0.075 0.000 1.046 48 D CB 0.476 41.303 40.800 0.045 0.000 1.095 48 D HN 0.263 nan 8.370 nan 0.000 0.555 49 D N -1.106 119.334 120.400 0.067 0.000 2.310 49 D HA -0.084 4.557 4.640 0.001 0.000 0.212 49 D C 0.522 176.848 176.300 0.042 0.000 0.965 49 D CA 0.732 54.766 54.000 0.057 0.000 0.879 49 D CB -0.058 40.772 40.800 0.050 0.000 0.921 49 D HN 0.392 nan 8.370 nan 0.000 0.510 50 D N -0.634 119.786 120.400 0.034 0.000 2.340 50 D HA 0.092 4.733 4.640 0.001 0.000 0.220 50 D C 1.510 177.823 176.300 0.021 0.000 1.039 50 D CA 0.547 54.560 54.000 0.022 0.000 0.866 50 D CB 0.757 41.564 40.800 0.012 0.000 0.913 50 D HN 0.244 nan 8.370 nan 0.000 0.523 51 G N 1.727 110.547 108.800 0.034 0.000 2.157 51 G HA2 -0.313 3.648 3.960 0.001 0.000 0.248 51 G HA3 -0.313 3.648 3.960 0.001 0.000 0.248 51 G C 0.352 175.262 174.900 0.018 0.000 0.979 51 G CA -0.306 44.816 45.100 0.036 0.000 0.650 51 G HN 0.276 nan 8.290 nan 0.000 0.529 52 R N 0.678 121.179 120.500 0.002 0.000 2.490 52 R HA 0.482 4.823 4.340 0.001 0.000 0.280 52 R C 0.205 176.480 176.300 -0.042 0.000 1.077 52 R CA 0.029 56.109 56.100 -0.033 0.000 1.065 52 R CB 0.733 31.006 30.300 -0.044 0.000 1.003 52 R HN 0.197 nan 8.270 nan 0.000 0.470 53 S N 3.117 118.754 115.700 -0.104 0.000 2.499 53 S HA 0.206 4.677 4.470 0.001 0.000 0.275 53 S C 0.079 174.586 174.600 -0.155 0.000 1.257 53 S CA -0.542 57.567 58.200 -0.152 0.000 1.050 53 S CB 0.410 63.378 63.200 -0.386 0.000 0.937 53 S HN 0.306 nan 8.310 nan 0.000 0.490 54 L N 4.199 125.393 121.223 -0.048 0.000 2.275 54 L HA 0.487 4.827 4.340 0.001 0.000 0.288 54 L C -0.344 176.554 176.870 0.046 0.000 1.046 54 L CA -0.303 54.519 54.840 -0.030 0.000 0.805 54 L CB 0.676 42.704 42.059 -0.052 0.000 1.193 54 L HN 0.532 nan 8.230 nan 0.000 0.426 55 I N 5.056 125.647 120.570 0.035 0.000 2.328 55 I HA 0.291 4.462 4.170 0.001 0.000 0.287 55 I C -0.431 175.749 176.117 0.105 0.000 1.012 55 I CA -0.246 61.125 61.300 0.120 0.000 1.195 55 I CB 1.069 39.137 38.000 0.114 0.000 1.350 55 I HN 0.394 nan 8.210 nan 0.000 0.464 56 L N 7.289 128.495 121.223 -0.029 0.000 2.282 56 L HA 0.570 4.911 4.340 0.001 0.000 0.288 56 L C -0.178 176.663 176.870 -0.048 0.000 1.033 56 L CA -0.664 54.083 54.840 -0.155 0.000 0.807 56 L CB 0.776 42.395 42.059 -0.734 0.000 1.209 56 L HN 0.461 nan 8.230 nan 0.000 0.423 57 R N 2.913 123.461 120.500 0.080 0.000 2.502 57 R HA 0.754 5.095 4.340 0.001 0.000 0.298 57 R C -0.317 176.091 176.300 0.180 0.000 1.018 57 R CA -0.530 55.591 56.100 0.035 0.000 0.899 57 R CB 1.986 32.044 30.300 -0.403 0.000 1.181 57 R HN 0.859 nan 8.270 nan 0.000 0.444 58 G N 1.558 110.483 108.800 0.207 0.000 2.510 58 G HA2 0.533 4.493 3.960 0.001 0.000 0.277 58 G HA3 0.533 4.493 3.960 0.001 0.000 0.277 58 G C -1.727 173.097 174.900 -0.127 0.000 1.223 58 G CA -0.426 44.775 45.100 0.167 0.000 0.887 58 G HN 0.197 nan 8.290 nan 0.000 0.485 59 F N 0.380 120.443 119.950 0.190 0.000 2.593 59 F HA 0.490 5.018 4.527 0.001 0.000 0.320 59 F C 0.411 176.199 175.800 -0.021 0.000 1.060 59 F CA -0.949 57.122 58.000 0.118 0.000 0.940 59 F CB 2.039 41.084 39.000 0.074 0.000 1.268 59 F HN 0.148 nan 8.300 nan 0.000 0.475 60 N N 1.003 119.805 118.700 0.171 0.000 2.470 60 N HA 0.223 4.963 4.740 0.001 0.000 0.268 60 N C -1.065 174.309 175.510 -0.227 0.000 1.136 60 N CA 0.394 53.429 53.050 -0.025 0.000 0.961 60 N CB 1.076 39.574 38.487 0.019 0.000 1.067 60 N HN 0.487 nan 8.380 nan 0.000 0.468 61 T N 1.337 115.703 114.554 -0.313 0.000 2.965 61 T HA 0.602 4.953 4.350 0.001 0.000 0.306 61 T C -0.699 173.627 174.700 -0.623 0.000 0.991 61 T CA -0.574 61.234 62.100 -0.487 0.000 1.001 61 T CB 1.290 69.814 68.868 -0.574 0.000 0.984 61 T HN 0.604 nan 8.240 nan 0.000 0.446 62 A N 1.568 124.054 122.820 -0.556 0.000 2.609 62 A HA 0.786 5.107 4.320 0.001 0.000 0.291 62 A C 1.135 178.481 177.584 -0.397 0.000 1.096 62 A CA -0.547 51.207 52.037 -0.470 0.000 0.684 62 A CB 1.156 19.941 19.000 -0.359 0.000 1.282 62 A HN 0.533 nan 8.150 nan 0.000 0.412 63 S N 0.016 115.467 115.700 -0.415 0.000 2.419 63 S HA -0.160 4.311 4.470 0.001 0.000 0.235 63 S C 2.025 176.517 174.600 -0.180 0.000 1.019 63 S CA 2.520 60.587 58.200 -0.220 0.000 0.982 63 S CB -0.491 62.632 63.200 -0.127 0.000 0.789 63 S HN 1.587 nan 8.310 nan 0.000 0.490 64 S N 1.177 116.771 115.700 -0.178 0.000 2.442 64 S HA 0.027 4.498 4.470 0.001 0.000 0.236 64 S C 1.909 176.443 174.600 -0.109 0.000 1.007 64 S CA 0.931 59.058 58.200 -0.121 0.000 0.965 64 S CB -0.627 62.524 63.200 -0.081 0.000 0.773 64 S HN 0.608 nan 8.310 nan 0.000 0.504 65 A N 2.051 124.783 122.820 -0.146 0.000 2.015 65 A HA 0.012 4.333 4.320 0.001 0.000 0.219 65 A C 2.188 179.709 177.584 -0.105 0.000 1.163 65 A CA 1.261 53.224 52.037 -0.123 0.000 0.646 65 A CB -0.509 18.372 19.000 -0.199 0.000 0.806 65 A HN 0.600 nan 8.150 nan 0.000 0.448 66 K N 0.382 120.708 120.400 -0.123 0.000 2.063 66 K HA -0.135 4.185 4.320 0.001 0.000 0.208 66 K C 1.995 178.530 176.600 -0.108 0.000 1.048 66 K CA 1.788 58.010 56.287 -0.108 0.000 0.928 66 K CB -0.156 32.274 32.500 -0.116 0.000 0.713 66 K HN 0.650 nan 8.250 nan 0.000 0.442 67 S N -0.461 115.177 115.700 -0.104 0.000 2.539 67 S HA 0.287 4.758 4.470 0.001 0.000 0.221 67 S C 0.588 175.142 174.600 -0.077 0.000 0.987 67 S CA -0.489 57.652 58.200 -0.098 0.000 0.929 67 S CB 0.506 63.646 63.200 -0.101 0.000 0.832 67 S HN 0.179 nan 8.310 nan 0.000 0.492 68 A N 3.249 126.032 122.820 -0.062 0.000 2.491 68 A HA 0.512 4.832 4.320 0.001 0.000 0.261 68 A C -1.025 176.537 177.584 -0.036 0.000 1.101 68 A CA -1.259 50.757 52.037 -0.035 0.000 0.772 68 A CB -0.053 18.940 19.000 -0.011 0.000 1.043 68 A HN 0.252 nan 8.150 nan 0.000 0.501 69 P HA -0.203 nan 4.420 nan 0.000 0.217 69 P C 0.718 178.006 177.300 -0.021 0.000 1.151 69 P CA 1.836 64.915 63.100 -0.035 0.000 0.849 69 P CB 0.105 31.791 31.700 -0.024 0.000 0.787 70 D N -2.204 118.207 120.400 0.017 0.000 2.340 70 D HA 0.083 4.724 4.640 0.001 0.000 0.220 70 D C 1.387 177.764 176.300 0.127 0.000 1.039 70 D CA 0.591 54.632 54.000 0.067 0.000 0.866 70 D CB -0.931 39.921 40.800 0.086 0.000 0.913 70 D HN 0.242 nan 8.370 nan 0.000 0.523 71 G N -0.066 108.771 108.800 0.063 0.000 2.184 71 G HA2 -0.263 3.697 3.960 0.001 0.000 0.264 71 G HA3 -0.263 3.697 3.960 0.001 0.000 0.264 71 G C 0.118 175.134 174.900 0.193 0.000 0.975 71 G CA 0.596 45.755 45.100 0.099 0.000 0.642 71 G HN 0.263 nan 8.290 nan 0.000 0.536 72 M N 1.222 120.912 119.600 0.150 0.000 2.423 72 M HA 0.479 4.959 4.480 0.001 0.000 0.335 72 M C -2.088 174.249 176.300 0.061 0.000 1.177 72 M CA -3.395 51.987 55.300 0.138 0.000 1.038 72 M CB 0.633 33.328 32.600 0.158 0.000 1.641 72 M HN -0.006 nan 8.290 nan 0.000 0.455 73 P HA 0.138 nan 4.420 nan 0.000 0.274 73 P C -1.002 176.370 177.300 0.121 0.000 1.237 73 P CA -0.269 62.832 63.100 0.002 0.000 0.793 73 P CB 0.383 32.024 31.700 -0.097 0.000 0.977 74 Q N 1.180 121.035 119.800 0.091 0.000 2.641 74 Q HA 0.330 4.671 4.340 0.001 0.000 0.225 74 Q C -0.979 175.151 176.000 0.217 0.000 1.309 74 Q CA 0.326 56.198 55.803 0.114 0.000 0.935 74 Q CB -0.659 28.107 28.738 0.047 0.000 1.557 74 Q HN 0.376 nan 8.270 nan 0.000 0.563 75 F N 0.752 120.751 119.950 0.082 0.000 2.651 75 F HA 0.233 4.761 4.527 0.001 0.000 0.329 75 F C -0.495 175.438 175.800 0.221 0.000 1.186 75 F CA -0.578 57.488 58.000 0.110 0.000 1.046 75 F CB 1.389 40.471 39.000 0.137 0.000 1.296 75 F HN 0.191 nan 8.300 nan 0.000 0.497 76 T N 0.559 114.909 114.554 -0.340 0.000 2.937 76 T HA 0.328 4.679 4.350 0.001 0.000 0.283 76 T C 0.838 175.007 174.700 -0.885 0.000 1.012 76 T CA -0.326 61.518 62.100 -0.426 0.000 0.997 76 T CB 1.773 70.411 68.868 -0.383 0.000 1.136 76 T HN 0.798 nan 8.240 nan 0.000 0.551 77 E N 0.189 119.574 120.200 -1.359 0.000 2.110 77 E HA -0.101 4.249 4.350 0.001 0.000 0.193 77 E C 2.247 178.424 176.600 -0.704 0.000 0.988 77 E CA 1.150 56.775 56.400 -1.293 0.000 0.804 77 E CB -0.539 28.266 29.700 -1.492 0.000 0.745 77 E HN 0.770 nan 8.360 nan 0.000 0.458 78 A N 1.128 123.605 122.820 -0.572 0.000 1.933 78 A HA -0.202 4.119 4.320 0.001 0.000 0.218 78 A C 1.748 179.081 177.584 -0.419 0.000 1.175 78 A CA 1.710 53.505 52.037 -0.402 0.000 0.628 78 A CB -0.383 18.425 19.000 -0.319 0.000 0.814 78 A HN 0.261 nan 8.150 nan 0.000 0.444 79 D N -0.371 119.674 120.400 -0.591 0.000 2.117 79 D HA -0.129 4.512 4.640 0.001 0.000 0.197 79 D C 1.833 177.800 176.300 -0.555 0.000 0.987 79 D CA 1.227 54.817 54.000 -0.684 0.000 0.829 79 D CB -0.375 39.758 40.800 -1.111 0.000 0.961 79 D HN 0.361 nan 8.370 nan 0.000 0.460 80 L N 1.126 121.988 121.223 -0.601 0.000 2.046 80 L HA -0.050 4.291 4.340 0.001 0.000 0.208 80 L C 2.158 179.010 176.870 -0.030 0.000 1.077 80 L CA 1.607 56.355 54.840 -0.155 0.000 0.747 80 L CB -0.824 41.101 42.059 -0.223 0.000 0.896 80 L HN -0.044 nan 8.230 nan 0.000 0.432 81 A N -0.355 122.389 122.820 -0.127 0.000 1.908 81 A HA -0.269 4.052 4.320 0.001 0.000 0.218 81 A C 2.556 180.171 177.584 0.053 0.000 1.181 81 A CA 1.908 53.935 52.037 -0.017 0.000 0.627 81 A CB -0.666 18.274 19.000 -0.100 0.000 0.818 81 A HN 0.529 nan 8.150 nan 0.000 0.445 82 R N -0.287 120.188 120.500 -0.041 0.000 2.066 82 R HA -0.169 4.172 4.340 0.001 0.000 0.232 82 R C 2.237 178.612 176.300 0.124 0.000 1.131 82 R CA 1.729 57.814 56.100 -0.025 0.000 0.955 82 R CB -0.356 29.820 30.300 -0.207 0.000 0.851 82 R HN 0.711 nan 8.270 nan 0.000 0.432 83 E N -0.642 119.669 120.200 0.184 0.000 2.058 83 E HA -0.278 4.073 4.350 0.001 0.000 0.194 83 E C 1.778 178.587 176.600 0.347 0.000 0.997 83 E CA 1.583 58.186 56.400 0.339 0.000 0.801 83 E CB -0.280 29.666 29.700 0.409 0.000 0.746 83 E HN 0.448 nan 8.360 nan 0.000 0.450 84 Y N 0.491 120.951 120.300 0.267 0.000 2.200 84 Y HA -0.119 4.432 4.550 0.001 0.000 0.290 84 Y C 2.077 178.074 175.900 0.163 0.000 1.137 84 Y CA 1.604 59.857 58.100 0.254 0.000 1.163 84 Y CB -0.506 38.129 38.460 0.292 0.000 0.988 84 Y HN 0.147 nan 8.280 nan 0.000 0.518 85 A N -0.220 122.691 122.820 0.152 0.000 1.933 85 A HA -0.167 4.153 4.320 0.001 0.000 0.218 85 A C 1.775 179.396 177.584 0.062 0.000 1.175 85 A CA 2.080 54.166 52.037 0.081 0.000 0.628 85 A CB -0.611 18.455 19.000 0.110 0.000 0.814 85 A HN 0.507 nan 8.150 nan 0.000 0.444 86 D N -1.576 118.889 120.400 0.108 0.000 2.240 86 D HA 0.109 4.750 4.640 0.001 0.000 0.206 86 D C 1.604 177.969 176.300 0.109 0.000 0.963 86 D CA 1.039 55.120 54.000 0.135 0.000 0.863 86 D CB 0.102 41.035 40.800 0.221 0.000 0.973 86 D HN 0.476 nan 8.370 nan 0.000 0.501 87 M N -1.761 117.875 119.600 0.059 0.000 2.231 87 M HA 0.231 4.712 4.480 0.001 0.000 0.347 87 M C 0.753 176.898 176.300 -0.259 0.000 0.901 87 M CA 0.170 55.481 55.300 0.018 0.000 1.064 87 M CB 2.181 34.854 32.600 0.120 0.000 1.861 87 M HN -0.014 nan 8.290 nan 0.000 0.638 88 G N 2.924 111.385 108.800 -0.564 0.000 2.249 88 G HA2 -0.258 3.703 3.960 0.001 0.000 0.273 88 G HA3 -0.258 3.703 3.960 0.001 0.000 0.273 88 G C 0.192 174.776 174.900 -0.526 0.000 1.036 88 G CA 0.577 44.941 45.100 -1.228 0.000 0.824 88 G HN 0.533 nan 8.290 nan 0.000 0.504 89 T N -1.669 112.850 114.554 -0.059 0.000 2.856 89 T HA 0.430 4.780 4.350 0.001 0.000 0.306 89 T C 1.036 175.681 174.700 -0.093 0.000 1.062 89 T CA 0.387 62.566 62.100 0.131 0.000 1.083 89 T CB 1.402 70.522 68.868 0.419 0.000 0.984 89 T HN 0.860 nan 8.240 nan 0.000 0.542 90 N N -0.441 118.252 118.700 -0.013 0.000 2.184 90 N HA 0.161 4.902 4.740 0.001 0.000 0.234 90 N C -0.899 174.741 175.510 0.217 0.000 1.282 90 N CA -0.580 52.364 53.050 -0.177 0.000 0.877 90 N CB 0.241 38.774 38.487 0.077 0.000 1.184 90 N HN 0.577 nan 8.380 nan 0.000 0.510 91 F N 0.412 120.525 119.950 0.271 0.000 2.613 91 F HA 0.724 5.252 4.527 0.001 0.000 0.310 91 F C -1.682 174.333 175.800 0.358 0.000 1.085 91 F CA -1.242 56.931 58.000 0.288 0.000 0.945 91 F CB 1.965 41.057 39.000 0.154 0.000 1.298 91 F HN -0.172 nan 8.300 nan 0.000 0.455 92 V N 5.489 125.058 119.914 -0.575 0.000 2.808 92 V HA 0.555 4.676 4.120 0.001 0.000 0.308 92 V C -1.458 174.079 176.094 -0.927 0.000 1.099 92 V CA -0.762 61.162 62.300 -0.627 0.000 0.920 92 V CB 2.046 33.476 31.823 -0.656 0.000 1.014 92 V HN 0.881 nan 8.190 nan 0.000 0.425 93 R N 5.286 125.446 120.500 -0.566 0.000 2.230 93 R HA 0.391 4.731 4.340 0.001 0.000 0.337 93 R C -1.492 174.742 176.300 -0.111 0.000 1.063 93 R CA -0.419 55.531 56.100 -0.251 0.000 0.935 93 R CB 0.545 30.835 30.300 -0.017 0.000 1.121 93 R HN 0.645 nan 8.270 nan 0.000 0.486 94 F N 5.579 125.394 119.950 -0.226 0.000 2.405 94 F HA 0.310 4.837 4.527 0.001 0.000 0.355 94 F C -0.824 174.935 175.800 -0.068 0.000 1.121 94 F CA -0.886 56.991 58.000 -0.204 0.000 1.112 94 F CB 0.695 39.522 39.000 -0.289 0.000 1.126 94 F HN 0.379 nan 8.300 nan 0.000 0.481 95 L N 7.865 128.789 121.223 -0.500 0.000 2.361 95 L HA 0.296 4.637 4.340 0.001 0.000 0.278 95 L C 0.202 176.984 176.870 -0.147 0.000 1.113 95 L CA 0.254 54.956 54.840 -0.231 0.000 0.849 95 L CB 0.291 42.164 42.059 -0.310 0.000 1.155 95 L HN 0.532 nan 8.230 nan 0.000 0.452 96 I N -0.121 120.502 120.570 0.089 0.000 3.237 96 I HA 0.939 5.109 4.170 0.001 0.000 0.308 96 I C -0.279 175.908 176.117 0.115 0.000 1.093 96 I CA -0.678 60.730 61.300 0.180 0.000 1.001 96 I CB 2.351 40.469 38.000 0.196 0.000 1.245 96 I HN 0.541 nan 8.210 nan 0.000 0.485 97 S N 0.360 116.109 115.700 0.082 0.000 2.536 97 S HA 0.242 4.713 4.470 0.001 0.000 0.271 97 S C -0.308 174.286 174.600 -0.011 0.000 1.134 97 S CA -0.747 57.456 58.200 0.004 0.000 0.897 97 S CB 1.451 64.614 63.200 -0.061 0.000 1.094 97 S HN 0.988 nan 8.310 nan 0.000 0.473 98 W N 3.817 124.994 121.300 -0.206 0.000 2.358 98 W HA -0.144 4.516 4.660 0.001 0.000 0.303 98 W C 2.141 178.545 176.519 -0.192 0.000 1.208 98 W CA 1.673 58.891 57.345 -0.211 0.000 1.274 98 W CB -0.608 28.746 29.460 -0.177 0.000 1.138 98 W HN 0.952 nan 8.180 nan 0.000 0.515 99 R N -0.084 120.296 120.500 -0.200 0.000 2.127 99 R HA -0.096 4.244 4.340 0.001 0.000 0.238 99 R C 1.969 178.113 176.300 -0.260 0.000 1.134 99 R CA 2.245 58.146 56.100 -0.331 0.000 0.975 99 R CB -1.431 28.669 30.300 -0.335 0.000 0.865 99 R HN -0.017 nan 8.270 nan 0.000 0.447 100 S N 0.043 115.529 115.700 -0.357 0.000 2.425 100 S HA 0.070 4.541 4.470 0.001 0.000 0.225 100 S C 1.886 176.206 174.600 -0.467 0.000 1.024 100 S CA 0.730 58.534 58.200 -0.660 0.000 0.951 100 S CB 0.030 62.346 63.200 -1.473 0.000 0.796 100 S HN 0.130 nan 8.310 nan 0.000 0.498 101 V N 1.115 120.936 119.914 -0.155 0.000 2.307 101 V HA -0.012 4.109 4.120 0.001 0.000 0.245 101 V C 1.254 177.533 176.094 0.308 0.000 1.045 101 V CA 1.234 63.647 62.300 0.189 0.000 1.024 101 V CB -0.216 31.716 31.823 0.182 0.000 0.651 101 V HN 0.440 nan 8.190 nan 0.000 0.449 102 E N 0.489 120.872 120.200 0.305 0.000 3.303 102 E HA 0.190 4.541 4.350 0.001 0.000 0.215 102 E C -1.943 174.822 176.600 0.275 0.000 1.181 102 E CA -1.632 55.002 56.400 0.389 0.000 0.998 102 E CB 1.435 31.556 29.700 0.701 0.000 1.312 102 E HN 0.302 nan 8.360 nan 0.000 0.412 103 P HA -0.019 nan 4.420 nan 0.000 0.223 103 P C 0.024 177.438 177.300 0.190 0.000 1.151 103 P CA 0.577 63.743 63.100 0.110 0.000 0.787 103 P CB 0.398 32.109 31.700 0.020 0.000 0.788 104 A N -0.571 122.266 122.820 0.030 0.000 2.498 104 A HA 0.660 4.980 4.320 0.001 0.000 0.298 104 A C -2.939 174.247 177.584 -0.665 0.000 1.075 104 A CA -2.212 49.616 52.037 -0.349 0.000 0.714 104 A CB 0.595 19.445 19.000 -0.250 0.000 1.299 104 A HN -0.228 nan 8.150 nan 0.000 0.407 105 P HA 0.226 nan 4.420 nan 0.000 0.260 105 P C 1.025 178.085 177.300 -0.400 0.000 1.185 105 P CA 2.241 64.650 63.100 -1.151 0.000 0.763 105 P CB 0.398 31.459 31.700 -1.065 0.000 0.776 106 G N 1.909 110.606 108.800 -0.171 0.000 2.168 106 G HA2 -0.223 3.737 3.960 0.001 0.000 0.263 106 G HA3 -0.223 3.737 3.960 0.001 0.000 0.263 106 G C 0.009 174.566 174.900 -0.573 0.000 0.977 106 G CA -0.041 44.890 45.100 -0.281 0.000 0.659 106 G HN 0.522 nan 8.290 nan 0.000 0.533 107 V N 1.192 120.798 119.914 -0.514 0.000 2.357 107 V HA 0.598 4.719 4.120 0.001 0.000 0.284 107 V C -0.352 175.535 176.094 -0.345 0.000 1.018 107 V CA -1.146 60.919 62.300 -0.392 0.000 0.841 107 V CB 0.887 32.591 31.823 -0.199 0.000 0.991 107 V HN 0.228 nan 8.190 nan 0.000 0.437 108 Y N 1.803 122.150 120.300 0.080 0.000 2.342 108 Y HA 0.450 5.000 4.550 0.001 0.000 0.334 108 Y C 0.423 176.376 175.900 0.088 0.000 1.067 108 Y CA -1.543 56.618 58.100 0.102 0.000 1.128 108 Y CB 0.938 39.459 38.460 0.102 0.000 1.200 108 Y HN 0.541 nan 8.280 nan 0.000 0.464 109 D N 2.799 123.360 120.400 0.267 0.000 2.422 109 D HA 0.063 4.703 4.640 0.001 0.000 0.227 109 D C 0.516 176.943 176.300 0.212 0.000 1.190 109 D CA 0.006 54.125 54.000 0.198 0.000 0.905 109 D CB 0.823 41.730 40.800 0.178 0.000 1.034 109 D HN 0.531 nan 8.370 nan 0.000 0.507 110 Q N 2.397 122.285 119.800 0.146 0.000 2.297 110 Q HA -0.109 4.232 4.340 0.001 0.000 0.204 110 Q C 1.305 177.347 176.000 0.070 0.000 0.962 110 Q CA 0.907 56.766 55.803 0.094 0.000 0.879 110 Q CB 0.209 28.983 28.738 0.061 0.000 0.947 110 Q HN 0.544 nan 8.270 nan 0.000 0.462 111 Q N -0.748 119.107 119.800 0.092 0.000 2.172 111 Q HA -0.110 4.231 4.340 0.001 0.000 0.200 111 Q C 1.658 177.723 176.000 0.109 0.000 0.964 111 Q CA 0.882 56.732 55.803 0.078 0.000 0.855 111 Q CB -0.405 28.378 28.738 0.075 0.000 0.918 111 Q HN 0.426 nan 8.270 nan 0.000 0.444 112 Y N 0.608 120.934 120.300 0.044 0.000 2.145 112 Y HA -0.167 4.384 4.550 0.001 0.000 0.286 112 Y C 1.499 177.440 175.900 0.068 0.000 1.145 112 Y CA 1.378 59.511 58.100 0.054 0.000 1.148 112 Y CB -0.247 38.248 38.460 0.060 0.000 0.981 112 Y HN 0.047 nan 8.280 nan 0.000 0.507 113 L N -0.058 121.110 121.223 -0.091 0.000 2.131 113 L HA -0.217 4.124 4.340 0.001 0.000 0.210 113 L C 2.065 178.851 176.870 -0.140 0.000 1.092 113 L CA 1.401 56.148 54.840 -0.154 0.000 0.759 113 L CB -0.660 41.379 42.059 -0.033 0.000 0.903 113 L HN 0.194 nan 8.230 nan 0.000 0.435 114 D N 0.183 120.527 120.400 -0.095 0.000 2.123 114 D HA -0.166 4.475 4.640 0.001 0.000 0.196 114 D C 2.348 178.590 176.300 -0.097 0.000 0.992 114 D CA 1.180 55.130 54.000 -0.084 0.000 0.833 114 D CB -0.105 40.672 40.800 -0.039 0.000 0.954 114 D HN 0.279 nan 8.370 nan 0.000 0.455 115 R N 0.309 120.744 120.500 -0.109 0.000 2.075 115 R HA -0.048 4.292 4.340 0.001 0.000 0.232 115 R C 2.449 178.631 176.300 -0.197 0.000 1.126 115 R CA 0.635 56.666 56.100 -0.115 0.000 0.963 115 R CB -0.448 29.828 30.300 -0.041 0.000 0.858 115 R HN 0.096 nan 8.270 nan 0.000 0.435 116 V N 1.328 121.083 119.914 -0.265 0.000 2.287 116 V HA -0.269 3.852 4.120 0.001 0.000 0.248 116 V C 2.308 178.305 176.094 -0.162 0.000 1.053 116 V CA 2.026 64.177 62.300 -0.249 0.000 1.027 116 V CB -0.523 31.160 31.823 -0.232 0.000 0.646 116 V HN 0.399 nan 8.190 nan 0.000 0.447 117 E N -0.064 120.163 120.200 0.045 0.000 2.118 117 E HA -0.277 4.073 4.350 0.001 0.000 0.195 117 E C 1.863 178.401 176.600 -0.105 0.000 0.992 117 E CA 1.564 58.011 56.400 0.080 0.000 0.804 117 E CB -0.078 29.584 29.700 -0.064 0.000 0.741 117 E HN 0.609 nan 8.360 nan 0.000 0.458 118 D N -0.032 120.254 120.400 -0.190 0.000 2.104 118 D HA -0.151 4.490 4.640 0.001 0.000 0.194 118 D C 2.054 177.949 176.300 -0.674 0.000 0.994 118 D CA 0.978 54.814 54.000 -0.273 0.000 0.830 118 D CB -0.126 40.559 40.800 -0.192 0.000 0.959 118 D HN 0.023 nan 8.370 nan 0.000 0.452 119 R N 0.275 120.263 120.500 -0.854 0.000 2.081 119 R HA -0.032 4.309 4.340 0.001 0.000 0.235 119 R C 2.422 178.349 176.300 -0.622 0.000 1.131 119 R CA 0.308 55.671 56.100 -1.228 0.000 0.960 119 R CB -0.957 28.811 30.300 -0.886 0.000 0.856 119 R HN 0.081 nan 8.270 nan 0.000 0.436 120 V N 0.095 119.744 119.914 -0.441 0.000 2.392 120 V HA -0.217 3.904 4.120 0.001 0.000 0.249 120 V C 2.248 178.342 176.094 -0.000 0.000 1.059 120 V CA 2.164 64.359 62.300 -0.175 0.000 1.051 120 V CB -1.141 30.604 31.823 -0.130 0.000 0.658 120 V HN 0.562 nan 8.190 nan 0.000 0.455 121 G N -0.940 107.827 108.800 -0.055 0.000 2.442 121 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 121 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 121 G C 1.215 176.219 174.900 0.173 0.000 1.141 121 G CA 0.852 45.985 45.100 0.056 0.000 0.763 121 G HN 0.535 nan 8.290 nan 0.000 0.554 122 W N 0.223 121.496 121.300 -0.045 0.000 2.358 122 W HA 0.033 4.694 4.660 0.002 0.000 0.303 122 W C 2.284 178.687 176.519 -0.192 0.000 1.208 122 W CA 0.359 57.613 57.345 -0.152 0.000 1.274 122 W CB -1.505 27.794 29.460 -0.269 0.000 1.138 122 W HN 0.283 nan 8.180 nan 0.000 0.515 123 Y N 0.515 120.900 120.300 0.142 0.000 2.200 123 Y HA -0.116 4.435 4.550 0.001 0.000 0.290 123 Y C 2.703 178.702 175.900 0.166 0.000 1.137 123 Y CA 2.056 60.177 58.100 0.036 0.000 1.163 123 Y CB -1.407 37.023 38.460 -0.050 0.000 0.988 123 Y HN -0.091 nan 8.280 nan 0.000 0.518 124 A N 0.086 123.065 122.820 0.266 0.000 1.908 124 A HA -0.289 4.032 4.320 0.001 0.000 0.218 124 A C 2.148 179.823 177.584 0.151 0.000 1.181 124 A CA 1.982 54.135 52.037 0.194 0.000 0.627 124 A CB -0.814 18.271 19.000 0.141 0.000 0.818 124 A HN 0.552 nan 8.150 nan 0.000 0.445 125 E N -0.631 119.645 120.200 0.128 0.000 2.265 125 E HA -0.145 4.206 4.350 0.001 0.000 0.196 125 E C 1.441 178.065 176.600 0.041 0.000 0.996 125 E CA 0.795 57.239 56.400 0.075 0.000 0.832 125 E CB 0.006 29.743 29.700 0.062 0.000 0.756 125 E HN 0.556 nan 8.360 nan 0.000 0.491 126 R N -1.323 119.225 120.500 0.081 0.000 2.507 126 R HA 0.179 4.519 4.340 0.001 0.000 0.298 126 R C 0.582 176.878 176.300 -0.006 0.000 0.999 126 R CA 0.497 56.586 56.100 -0.019 0.000 1.082 126 R CB 1.064 31.353 30.300 -0.019 0.000 1.246 126 R HN 0.229 nan 8.270 nan 0.000 0.553 127 G N 0.269 109.127 108.800 0.097 0.000 2.147 127 G HA2 -0.326 3.634 3.960 0.001 0.000 0.244 127 G HA3 -0.326 3.634 3.960 0.001 0.000 0.244 127 G C -0.305 174.658 174.900 0.105 0.000 1.005 127 G CA -0.081 45.057 45.100 0.064 0.000 0.713 127 G HN 0.259 nan 8.290 nan 0.000 0.515 128 Y N 0.356 120.745 120.300 0.148 0.000 2.301 128 Y HA 0.567 5.117 4.550 0.001 0.000 0.328 128 Y C 1.013 177.026 175.900 0.189 0.000 1.242 128 Y CA -0.226 58.012 58.100 0.230 0.000 1.323 128 Y CB 0.799 39.481 38.460 0.370 0.000 1.266 128 Y HN -0.078 nan 8.280 nan 0.000 0.527 129 K N 1.598 122.215 120.400 0.362 0.000 2.123 129 K HA 0.591 4.912 4.320 0.001 0.000 0.259 129 K C -1.200 175.563 176.600 0.271 0.000 0.960 129 K CA -0.762 55.700 56.287 0.292 0.000 0.872 129 K CB 2.037 34.701 32.500 0.273 0.000 1.079 129 K HN 0.356 nan 8.250 nan 0.000 0.440 130 V N 3.078 123.064 119.914 0.120 0.000 2.495 130 V HA 0.430 4.551 4.120 0.001 0.000 0.298 130 V C -0.252 175.848 176.094 0.011 0.000 1.031 130 V CA -0.863 61.391 62.300 -0.077 0.000 0.871 130 V CB 1.740 33.452 31.823 -0.185 0.000 0.988 130 V HN 0.727 nan 8.190 nan 0.000 0.432 131 M N 5.831 125.399 119.600 -0.052 0.000 2.114 131 M HA 0.554 5.035 4.480 0.001 0.000 0.332 131 M C -1.368 174.999 176.300 0.112 0.000 1.014 131 M CA -0.480 54.882 55.300 0.103 0.000 0.956 131 M CB 0.960 33.709 32.600 0.247 0.000 1.551 131 M HN 0.530 nan 8.290 nan 0.000 0.427 132 L N 4.235 125.596 121.223 0.231 0.000 2.290 132 L HA 0.315 4.656 4.340 0.001 0.000 0.284 132 L C -0.436 176.710 176.870 0.460 0.000 1.078 132 L CA -0.389 54.637 54.840 0.311 0.000 0.815 132 L CB 0.698 42.952 42.059 0.324 0.000 1.162 132 L HN 0.640 nan 8.230 nan 0.000 0.435 133 D N 4.621 125.238 120.400 0.362 0.000 2.414 133 D HA 0.221 4.861 4.640 0.001 0.000 0.232 133 D C -0.382 176.138 176.300 0.366 0.000 1.070 133 D CA -0.599 53.646 54.000 0.409 0.000 0.839 133 D CB 1.380 42.400 40.800 0.367 0.000 1.079 133 D HN 0.256 nan 8.370 nan 0.000 0.521 134 M N 4.594 124.456 119.600 0.436 0.000 2.618 134 M HA 0.184 4.664 4.480 0.001 0.000 0.322 134 M C -1.149 175.328 176.300 0.295 0.000 1.471 134 M CA -0.029 55.408 55.300 0.228 0.000 1.450 134 M CB -0.386 32.294 32.600 0.133 0.000 1.444 134 M HN 0.423 nan 8.290 nan 0.000 0.471 135 H N 2.929 122.092 119.070 0.156 0.000 2.487 135 H HA 0.602 5.159 4.556 0.001 0.000 0.333 135 H C -0.846 174.544 175.328 0.103 0.000 1.114 135 H CA -0.125 56.016 56.048 0.154 0.000 1.310 135 H CB 0.791 30.626 29.762 0.122 0.000 1.462 135 H HN 0.683 nan 8.280 nan 0.000 0.516 136 Q N 1.980 121.737 119.800 -0.072 0.000 2.377 136 Q HA 0.454 4.795 4.340 0.001 0.000 0.279 136 Q C -1.908 174.091 176.000 -0.001 0.000 1.049 136 Q CA -0.954 54.853 55.803 0.008 0.000 0.825 136 Q CB 2.081 30.818 28.738 -0.001 0.000 1.401 136 Q HN 0.594 nan 8.270 nan 0.000 0.404 137 D N 0.716 121.139 120.400 0.037 0.000 2.896 137 D HA 0.494 5.135 4.640 0.001 0.000 0.241 137 D C -0.754 175.509 176.300 -0.060 0.000 1.188 137 D CA -0.749 53.290 54.000 0.066 0.000 0.879 137 D CB 2.163 42.906 40.800 -0.095 0.000 1.553 137 D HN 0.562 nan 8.370 nan 0.000 0.515 138 V N 2.494 122.265 119.914 -0.238 0.000 5.117 138 V HA -0.384 3.737 4.120 0.001 0.000 0.285 138 V C 0.733 176.839 176.094 0.020 0.000 0.490 138 V CA 1.485 63.551 62.300 -0.388 0.000 0.728 138 V CB -2.789 28.794 31.823 -0.400 0.000 0.597 138 V HN 0.946 nan 8.190 nan 0.000 1.265 139 Y N -1.424 118.859 120.300 -0.028 0.000 2.740 139 Y HA -0.401 4.150 4.550 0.001 0.000 0.482 139 Y C 0.863 176.593 175.900 -0.283 0.000 1.156 139 Y CA 2.833 60.712 58.100 -0.367 0.000 2.839 139 Y CB -1.115 36.857 38.460 -0.814 0.000 0.979 139 Y HN 1.372 nan 8.280 nan 0.000 0.561 140 S N -1.108 114.481 115.700 -0.185 0.000 2.567 140 S HA 0.525 4.996 4.470 0.001 0.000 0.270 140 S C 0.515 175.005 174.600 -0.183 0.000 1.152 140 S CA -0.123 57.928 58.200 -0.247 0.000 0.835 140 S CB 0.957 64.014 63.200 -0.239 0.000 1.115 140 S HN 1.028 nan 8.310 nan 0.000 0.459 141 G N 1.359 110.039 108.800 -0.199 0.000 2.470 141 G HA2 0.092 4.053 3.960 0.001 0.000 0.220 141 G HA3 0.092 4.053 3.960 0.001 0.000 0.220 141 G C 1.215 176.019 174.900 -0.159 0.000 1.121 141 G CA 0.817 45.811 45.100 -0.177 0.000 0.766 141 G HN 1.154 nan 8.290 nan 0.000 0.553 142 A N 0.959 123.680 122.820 -0.164 0.000 2.252 142 A HA 0.228 4.549 4.320 0.001 0.000 0.207 142 A C 2.139 179.656 177.584 -0.112 0.000 1.194 142 A CA 0.721 52.671 52.037 -0.145 0.000 0.809 142 A CB -0.515 18.376 19.000 -0.182 0.000 0.814 142 A HN 0.688 nan 8.150 nan 0.000 0.482 143 I N -2.470 118.040 120.570 -0.100 0.000 2.830 143 I HA 0.045 4.216 4.170 0.001 0.000 0.263 143 I C 0.696 176.788 176.117 -0.043 0.000 1.230 143 I CA 1.037 62.299 61.300 -0.064 0.000 1.480 143 I CB -0.462 37.509 38.000 -0.048 0.000 1.095 143 I HN 0.253 nan 8.210 nan 0.000 0.455 144 T N -0.588 113.926 114.554 -0.066 0.000 2.909 144 T HA 0.642 4.993 4.350 0.001 0.000 0.299 144 T C -2.279 172.388 174.700 -0.054 0.000 1.073 144 T CA -1.378 60.697 62.100 -0.041 0.000 0.999 144 T CB 1.747 70.593 68.868 -0.037 0.000 1.098 144 T HN -0.002 nan 8.240 nan 0.000 0.477 156 I N 1.149 121.560 120.570 -0.265 0.000 2.512 156 I HA 0.236 4.407 4.170 0.001 0.000 0.247 156 I C 1.755 177.671 176.117 -0.335 0.000 1.094 156 I CA 1.726 62.798 61.300 -0.380 0.000 1.427 156 I CB -1.626 35.966 38.000 -0.680 0.000 1.149 156 I HN 0.432 nan 8.210 nan 0.000 0.438 157 G N 1.091 109.722 108.800 -0.282 0.000 2.537 157 G HA2 0.457 4.418 3.960 0.001 0.000 0.297 157 G HA3 0.457 4.418 3.960 0.001 0.000 0.297 157 G C -0.758 174.023 174.900 -0.198 0.000 1.310 157 G CA -0.289 44.673 45.100 -0.230 0.000 1.027 157 G HN 0.558 nan 8.290 nan 0.000 0.505 158 N N -2.995 115.605 118.700 -0.167 0.000 2.745 158 N HA 0.617 5.358 4.740 0.001 0.000 0.256 158 N C 0.109 175.533 175.510 -0.143 0.000 1.268 158 N CA 0.089 53.051 53.050 -0.146 0.000 0.887 158 N CB 1.688 40.113 38.487 -0.104 0.000 1.575 158 N HN 1.357 nan 8.380 nan 0.000 0.496 159 G N -0.011 108.688 108.800 -0.168 0.000 2.169 159 G HA2 0.268 4.229 3.960 0.001 0.000 0.173 159 G HA3 0.268 4.229 3.960 0.001 0.000 0.173 159 G C -0.383 174.369 174.900 -0.247 0.000 2.429 159 G CA 0.080 45.090 45.100 -0.150 0.000 1.467 159 G HN 1.208 nan 8.290 nan 0.000 0.454 160 A N 3.332 125.861 122.820 -0.484 0.000 2.407 160 A HA 0.676 4.997 4.320 0.001 0.000 0.248 160 A C -1.658 175.439 177.584 -0.811 0.000 1.082 160 A CA -0.185 51.398 52.037 -0.756 0.000 0.785 160 A CB -0.027 18.259 19.000 -1.189 0.000 1.020 160 A HN 0.451 nan 8.150 nan 0.000 0.489 161 P HA 0.190 nan 4.420 nan 0.000 0.272 161 P C 0.725 177.506 177.300 -0.864 0.000 1.230 161 P CA 0.444 62.979 63.100 -0.942 0.000 0.788 161 P CB 0.890 31.879 31.700 -1.186 0.000 0.949 162 A N 3.043 125.548 122.820 -0.524 0.000 1.940 162 A HA -0.167 4.154 4.320 0.001 0.000 0.219 162 A C 2.010 179.348 177.584 -0.411 0.000 1.176 162 A CA 1.624 53.433 52.037 -0.380 0.000 0.631 162 A CB -1.769 17.100 19.000 -0.219 0.000 0.814 162 A HN 0.840 nan 8.150 nan 0.000 0.446 163 W N -1.286 119.801 121.300 -0.355 0.000 2.421 163 W HA 0.166 4.827 4.660 0.002 0.000 0.270 163 W C 1.413 177.647 176.519 -0.474 0.000 1.233 163 W CA 0.842 57.968 57.345 -0.364 0.000 1.226 163 W CB -0.575 28.727 29.460 -0.264 0.000 1.121 163 W HN 0.397 nan 8.180 nan 0.000 0.579 164 A N 0.993 123.181 122.820 -1.054 0.000 2.308 164 A HA 0.213 4.534 4.320 0.001 0.000 0.217 164 A C 0.429 177.747 177.584 -0.444 0.000 1.216 164 A CA 0.325 51.853 52.037 -0.848 0.000 0.864 164 A CB -0.521 17.522 19.000 -1.594 0.000 0.902 164 A HN 0.056 nan 8.150 nan 0.000 0.499 165 T N 0.708 114.921 114.554 -0.569 0.000 2.801 165 T HA 0.465 4.816 4.350 0.001 0.000 0.306 165 T C -1.288 173.085 174.700 -0.544 0.000 1.020 165 T CA 0.146 62.039 62.100 -0.346 0.000 0.948 165 T CB -0.149 68.584 68.868 -0.224 0.000 0.962 165 T HN 0.238 nan 8.240 nan 0.000 0.465 166 Y N 3.022 123.176 120.300 -0.243 0.000 2.712 166 Y HA 0.356 4.907 4.550 0.001 0.000 0.328 166 Y C 1.147 176.963 175.900 -0.140 0.000 0.995 166 Y CA -0.821 57.172 58.100 -0.178 0.000 1.283 166 Y CB 0.753 39.059 38.460 -0.256 0.000 1.092 166 Y HN 0.585 nan 8.280 nan 0.000 0.519 167 M N 0.437 120.040 119.600 0.004 0.000 2.502 167 M HA 0.032 4.513 4.480 0.001 0.000 0.243 167 M C -0.139 176.191 176.300 0.050 0.000 1.130 167 M CA 0.436 55.739 55.300 0.005 0.000 1.055 167 M CB 0.228 32.815 32.600 -0.021 0.000 1.457 167 M HN 0.517 nan 8.290 nan 0.000 0.488 168 D N 1.119 121.571 120.400 0.086 0.000 2.772 168 D HA -0.174 4.466 4.640 0.001 0.000 0.233 168 D C 1.042 177.377 176.300 0.059 0.000 1.143 168 D CA 1.327 55.382 54.000 0.091 0.000 0.700 168 D CB -1.842 39.016 40.800 0.096 0.000 1.076 168 D HN 0.707 nan 8.370 nan 0.000 0.430 169 G N -1.416 107.410 108.800 0.044 0.000 2.184 169 G HA2 -0.350 3.611 3.960 0.001 0.000 0.264 169 G HA3 -0.350 3.611 3.960 0.001 0.000 0.264 169 G C 0.408 175.325 174.900 0.029 0.000 0.975 169 G CA 0.465 45.584 45.100 0.032 0.000 0.642 169 G HN 0.517 nan 8.290 nan 0.000 0.536 170 L N 2.342 123.585 121.223 0.033 0.000 2.417 170 L HA 0.392 4.733 4.340 0.001 0.000 0.268 170 L C -1.117 175.772 176.870 0.031 0.000 1.158 170 L CA -1.894 52.967 54.840 0.034 0.000 0.819 170 L CB 0.563 42.647 42.059 0.042 0.000 1.112 170 L HN 0.001 nan 8.230 nan 0.000 0.458 171 P HA 0.092 nan 4.420 nan 0.000 0.274 171 P C -0.921 176.402 177.300 0.039 0.000 1.231 171 P CA -0.199 62.919 63.100 0.028 0.000 0.790 171 P CB 1.248 32.961 31.700 0.020 0.000 0.951 172 V N 2.217 122.160 119.914 0.048 0.000 2.465 172 V HA 0.159 4.280 4.120 0.001 0.000 0.263 172 V C 0.175 176.319 176.094 0.083 0.000 0.981 172 V CA -0.507 61.841 62.300 0.081 0.000 0.838 172 V CB 0.772 32.669 31.823 0.123 0.000 1.068 172 V HN 0.464 nan 8.190 nan 0.000 0.458 173 E N 3.586 123.795 120.200 0.015 0.000 2.319 173 E HA 0.390 4.741 4.350 0.001 0.000 0.268 173 E C -2.468 174.094 176.600 -0.064 0.000 1.050 173 E CA -2.186 54.212 56.400 -0.003 0.000 0.878 173 E CB 1.094 30.778 29.700 -0.026 0.000 1.066 173 E HN 0.278 nan 8.360 nan 0.000 0.406 174 P HA -0.027 nan 4.420 nan 0.000 0.264 174 P C -0.465 176.718 177.300 -0.195 0.000 1.183 174 P CA 0.461 63.561 63.100 0.000 0.000 0.763 174 P CB 0.508 32.244 31.700 0.060 0.000 0.807 175 Q N 3.697 123.274 119.800 -0.370 0.000 2.387 175 Q HA 0.308 4.649 4.340 0.001 0.000 0.273 175 Q C -1.589 174.355 176.000 -0.093 0.000 1.089 175 Q CA -1.872 53.729 55.803 -0.338 0.000 0.824 175 Q CB 0.910 29.267 28.738 -0.637 0.000 1.367 175 Q HN 0.302 nan 8.270 nan 0.000 0.443 176 P HA -0.056 nan 4.420 nan 0.000 0.226 176 P C -0.305 177.015 177.300 0.033 0.000 1.153 176 P CA 0.897 63.996 63.100 -0.001 0.000 0.777 176 P CB 0.636 32.325 31.700 -0.018 0.000 0.794 177 R N -1.137 119.376 120.500 0.021 0.000 2.668 177 R HA 0.236 4.577 4.340 0.001 0.000 0.272 177 R C 1.034 177.396 176.300 0.103 0.000 1.019 177 R CA -1.060 55.070 56.100 0.050 0.000 0.894 177 R CB 0.055 30.323 30.300 -0.055 0.000 1.228 177 R HN -0.064 nan 8.270 nan 0.000 0.460 178 W N 1.950 123.332 121.300 0.137 0.000 2.374 178 W HA -0.069 4.592 4.660 0.001 0.000 0.288 178 W C 0.130 176.758 176.519 0.182 0.000 1.218 178 W CA 1.331 58.799 57.345 0.205 0.000 1.245 178 W CB -0.479 28.988 29.460 0.011 0.000 1.126 178 W HN 0.684 nan 8.180 nan 0.000 0.545 179 E N 1.408 121.144 120.200 -0.773 0.000 2.204 179 E HA -0.128 4.222 4.350 0.001 0.000 0.195 179 E C 2.274 178.781 176.600 -0.154 0.000 0.990 179 E CA 1.544 57.531 56.400 -0.688 0.000 0.821 179 E CB -0.677 28.530 29.700 -0.821 0.000 0.750 179 E HN 0.286 nan 8.360 nan 0.000 0.477 180 L N -0.266 120.880 121.223 -0.129 0.000 2.456 180 L HA -0.125 4.216 4.340 0.001 0.000 0.224 180 L C 1.455 178.270 176.870 -0.091 0.000 1.148 180 L CA 0.600 55.378 54.840 -0.104 0.000 0.825 180 L CB -0.251 41.716 42.059 -0.152 0.000 0.937 180 L HN 0.225 nan 8.230 nan 0.000 0.450 181 Y N -1.705 118.567 120.300 -0.048 0.000 2.333 181 Y HA -0.261 4.290 4.550 0.001 0.000 0.290 181 Y C 2.258 178.126 175.900 -0.053 0.000 1.144 181 Y CA 1.300 59.374 58.100 -0.043 0.000 1.228 181 Y CB -0.469 37.963 38.460 -0.046 0.000 0.985 181 Y HN 0.059 nan 8.280 nan 0.000 0.542 182 Y N 0.058 120.353 120.300 -0.010 0.000 2.241 182 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 182 Y C 2.130 177.967 175.900 -0.106 0.000 1.166 182 Y CA 1.638 59.580 58.100 -0.263 0.000 1.203 182 Y CB -0.561 37.427 38.460 -0.788 0.000 0.977 182 Y HN 0.243 nan 8.280 nan 0.000 0.529 183 I N -2.224 118.424 120.570 0.131 0.000 3.875 183 I HA 0.147 4.318 4.170 0.001 0.000 0.329 183 I C 0.069 176.251 176.117 0.108 0.000 1.295 183 I CA -0.226 61.168 61.300 0.157 0.000 1.129 183 I CB -0.144 37.919 38.000 0.105 0.000 1.008 183 I HN -0.148 nan 8.210 nan 0.000 0.413 184 Q N 2.155 122.007 119.800 0.088 0.000 2.373 184 Q HA 0.223 4.564 4.340 0.001 0.000 0.255 184 Q C -1.575 174.481 176.000 0.094 0.000 0.980 184 Q CA -2.018 53.821 55.803 0.059 0.000 0.882 184 Q CB 0.635 29.395 28.738 0.037 0.000 1.249 184 Q HN 0.049 nan 8.270 nan 0.000 0.438 185 P HA -0.192 nan 4.420 nan 0.000 0.216 185 P C 1.073 178.422 177.300 0.081 0.000 1.157 185 P CA 1.998 65.141 63.100 0.072 0.000 0.880 185 P CB 0.154 31.883 31.700 0.048 0.000 0.791 186 G N -0.805 108.036 108.800 0.068 0.000 2.422 186 G HA2 -0.198 3.762 3.960 0.001 0.000 0.218 186 G HA3 -0.198 3.762 3.960 0.001 0.000 0.218 186 G C 1.573 176.506 174.900 0.055 0.000 1.146 186 G CA 0.678 45.809 45.100 0.052 0.000 0.769 186 G HN 0.179 nan 8.290 nan 0.000 0.547 187 V N 1.217 121.195 119.914 0.108 0.000 2.407 187 V HA -0.098 4.022 4.120 0.001 0.000 0.245 187 V C 2.923 179.211 176.094 0.324 0.000 1.041 187 V CA 1.429 63.829 62.300 0.167 0.000 1.040 187 V CB -0.317 31.638 31.823 0.220 0.000 0.671 187 V HN 0.255 nan 8.190 nan 0.000 0.455 188 M N -0.029 119.764 119.600 0.322 0.000 2.149 188 M HA -0.199 4.282 4.480 0.001 0.000 0.261 188 M C 2.361 178.812 176.300 0.251 0.000 1.064 188 M CA 1.842 57.353 55.300 0.352 0.000 1.102 188 M CB -1.180 31.560 32.600 0.233 0.000 1.369 188 M HN 0.284 nan 8.290 nan 0.000 0.408 189 R N 0.861 121.450 120.500 0.148 0.000 2.075 189 R HA 0.034 4.374 4.340 0.001 0.000 0.232 189 R C 2.132 178.449 176.300 0.028 0.000 1.126 189 R CA 1.874 58.031 56.100 0.095 0.000 0.963 189 R CB -0.883 29.459 30.300 0.070 0.000 0.858 189 R HN 0.301 nan 8.270 nan 0.000 0.435 190 A N -0.306 122.455 122.820 -0.097 0.000 1.908 190 A HA -0.141 4.180 4.320 0.001 0.000 0.218 190 A C 2.093 179.334 177.584 -0.571 0.000 1.181 190 A CA 1.622 53.390 52.037 -0.449 0.000 0.627 190 A CB -0.831 17.720 19.000 -0.748 0.000 0.818 190 A HN 0.381 nan 8.150 nan 0.000 0.445 191 F N 0.425 120.252 119.950 -0.205 0.000 2.146 191 F HA -0.110 4.418 4.527 0.001 0.000 0.298 191 F C 2.102 178.017 175.800 0.191 0.000 1.096 191 F CA 1.654 59.673 58.000 0.031 0.000 1.275 191 F CB -0.382 38.814 39.000 0.326 0.000 1.008 191 F HN 0.189 nan 8.300 nan 0.000 0.480 192 D N -0.177 120.429 120.400 0.344 0.000 2.149 192 D HA -0.163 4.478 4.640 0.001 0.000 0.198 192 D C 1.931 178.370 176.300 0.232 0.000 0.990 192 D CA 0.977 55.147 54.000 0.285 0.000 0.839 192 D CB -0.437 40.472 40.800 0.180 0.000 0.948 192 D HN 0.197 nan 8.370 nan 0.000 0.460 193 N N -0.054 118.738 118.700 0.154 0.000 2.106 193 N HA -0.122 4.619 4.740 0.001 0.000 0.188 193 N C 1.697 177.290 175.510 0.138 0.000 1.029 193 N CA 0.320 53.458 53.050 0.147 0.000 0.848 193 N CB -0.516 38.014 38.487 0.072 0.000 1.007 193 N HN 0.187 nan 8.380 nan 0.000 0.423 194 F N 0.371 120.276 119.950 -0.075 0.000 2.095 194 F HA -0.163 4.365 4.527 0.002 0.000 0.298 194 F C 1.577 177.306 175.800 -0.118 0.000 1.104 194 F CA 1.486 59.411 58.000 -0.125 0.000 1.232 194 F CB -0.515 38.324 39.000 -0.268 0.000 0.987 194 F HN 0.053 nan 8.300 nan 0.000 0.475 195 W N 0.302 121.727 121.300 0.208 0.000 3.077 195 W HA 0.045 4.706 4.660 0.001 0.000 0.245 195 W C 1.005 177.544 176.519 0.033 0.000 1.316 195 W CA 0.421 57.822 57.345 0.093 0.000 1.537 195 W CB -0.641 28.965 29.460 0.243 0.000 1.131 195 W HN 0.114 nan 8.180 nan 0.000 0.695 196 N N -0.248 118.571 118.700 0.199 0.000 2.714 196 N HA -0.214 4.526 4.740 0.001 0.000 0.250 196 N C 0.604 176.205 175.510 0.152 0.000 1.117 196 N CA 1.537 54.676 53.050 0.149 0.000 0.719 196 N CB -1.329 37.216 38.487 0.097 0.000 1.081 196 N HN 0.045 nan 8.380 nan 0.000 0.557 197 T N -1.983 112.689 114.554 0.197 0.000 2.833 197 T HA -0.140 4.211 4.350 0.001 0.000 0.269 197 T C 1.822 176.581 174.700 0.099 0.000 1.054 197 T CA 1.967 64.153 62.100 0.143 0.000 1.135 197 T CB -0.395 68.566 68.868 0.155 0.000 0.869 197 T HN 0.671 nan 8.240 nan 0.000 0.466 198 T N -0.940 113.677 114.554 0.105 0.000 3.055 198 T HA 0.263 4.614 4.350 0.001 0.000 0.265 198 T C 1.985 176.709 174.700 0.039 0.000 1.111 198 T CA 1.004 63.147 62.100 0.072 0.000 1.118 198 T CB -0.447 68.472 68.868 0.086 0.000 0.909 198 T HN 0.519 nan 8.240 nan 0.000 0.501 199 G N 1.565 110.390 108.800 0.041 0.000 2.184 199 G HA2 -0.300 3.661 3.960 0.001 0.000 0.264 199 G HA3 -0.300 3.661 3.960 0.001 0.000 0.264 199 G C 0.839 175.713 174.900 -0.042 0.000 0.975 199 G CA 0.539 45.645 45.100 0.009 0.000 0.642 199 G HN 0.576 nan 8.290 nan 0.000 0.536 200 K N -0.381 119.973 120.400 -0.077 0.000 2.361 200 K HA 0.141 4.462 4.320 0.001 0.000 0.194 200 K C 0.312 176.569 176.600 -0.572 0.000 1.032 200 K CA 0.288 56.405 56.287 -0.284 0.000 1.048 200 K CB 0.323 32.649 32.500 -0.291 0.000 0.842 200 K HN 0.539 nan 8.250 nan 0.000 0.526 201 H N 0.386 119.422 119.070 -0.057 0.000 2.597 201 H HA 0.131 4.688 4.556 0.001 0.000 0.225 201 H C -2.160 173.173 175.328 0.009 0.000 1.422 201 H CA -1.438 54.581 56.048 -0.049 0.000 1.335 201 H CB 1.105 30.811 29.762 -0.094 0.000 1.783 201 H HN -0.000 nan 8.280 nan 0.000 0.513 202 P HA -0.166 nan 4.420 nan 0.000 0.222 202 P C 1.485 178.854 177.300 0.116 0.000 1.147 202 P CA 1.033 64.178 63.100 0.075 0.000 0.790 202 P CB 0.439 32.168 31.700 0.048 0.000 0.780 203 E N 0.796 121.109 120.200 0.189 0.000 2.274 203 E HA -0.112 4.239 4.350 0.001 0.000 0.194 203 E C 2.016 178.871 176.600 0.425 0.000 0.996 203 E CA 0.667 57.244 56.400 0.295 0.000 0.840 203 E CB -1.202 28.724 29.700 0.378 0.000 0.772 203 E HN 0.281 nan 8.360 nan 0.000 0.491 204 L N 0.736 122.161 121.223 0.337 0.000 2.027 204 L HA -0.132 4.208 4.340 0.001 0.000 0.206 204 L C 2.744 179.729 176.870 0.192 0.000 1.074 204 L CA 1.022 56.093 54.840 0.386 0.000 0.745 204 L CB -0.387 41.835 42.059 0.272 0.000 0.898 204 L HN 0.001 nan 8.230 nan 0.000 0.433 205 V N -0.238 119.577 119.914 -0.165 0.000 2.407 205 V HA -0.262 3.859 4.120 0.001 0.000 0.248 205 V C 2.470 178.637 176.094 0.122 0.000 1.055 205 V CA 1.773 63.966 62.300 -0.177 0.000 1.049 205 V CB -0.356 31.337 31.823 -0.217 0.000 0.662 205 V HN 0.422 nan 8.190 nan 0.000 0.455 206 E N -0.297 119.994 120.200 0.152 0.000 2.077 206 E HA -0.223 4.127 4.350 0.001 0.000 0.193 206 E C 2.212 178.937 176.600 0.208 0.000 0.989 206 E CA 1.556 58.046 56.400 0.150 0.000 0.800 206 E CB -0.288 29.468 29.700 0.093 0.000 0.746 206 E HN 0.665 nan 8.360 nan 0.000 0.452 207 H N -1.355 117.920 119.070 0.342 0.000 2.353 207 H HA -0.156 4.400 4.556 0.002 0.000 0.300 207 H C 1.892 177.466 175.328 0.410 0.000 1.090 207 H CA 1.704 58.051 56.048 0.499 0.000 1.327 207 H CB -0.357 29.909 29.762 0.840 0.000 1.383 207 H HN 0.308 nan 8.280 nan 0.000 0.508 208 Y N 1.184 121.596 120.300 0.186 0.000 2.145 208 Y HA -0.231 4.320 4.550 0.001 0.000 0.286 208 Y C 2.743 178.641 175.900 -0.003 0.000 1.145 208 Y CA 1.556 59.483 58.100 -0.289 0.000 1.148 208 Y CB -0.417 37.853 38.460 -0.318 0.000 0.981 208 Y HN 0.159 nan 8.280 nan 0.000 0.507 209 A N 0.165 123.137 122.820 0.254 0.000 1.908 209 A HA -0.243 4.078 4.320 0.001 0.000 0.218 209 A C 2.175 179.847 177.584 0.148 0.000 1.181 209 A CA 2.212 54.379 52.037 0.215 0.000 0.627 209 A CB -0.583 18.531 19.000 0.191 0.000 0.818 209 A HN 0.529 nan 8.150 nan 0.000 0.445 210 K N -0.507 119.984 120.400 0.152 0.000 2.217 210 K HA 0.109 4.429 4.320 0.001 0.000 0.202 210 K C 2.214 178.831 176.600 0.029 0.000 1.051 210 K CA 0.759 57.124 56.287 0.130 0.000 0.952 210 K CB -0.220 32.405 32.500 0.208 0.000 0.736 210 K HN 0.446 nan 8.250 nan 0.000 0.453 211 A N 0.577 123.449 122.820 0.087 0.000 1.898 211 A HA -0.160 4.160 4.320 0.001 0.000 0.216 211 A C 1.803 179.236 177.584 -0.251 0.000 1.181 211 A CA 0.991 52.994 52.037 -0.057 0.000 0.620 211 A CB -0.818 18.216 19.000 0.056 0.000 0.819 211 A HN 0.456 nan 8.150 nan 0.000 0.442 212 W N -0.217 120.912 121.300 -0.285 0.000 2.358 212 W HA -0.136 4.524 4.660 0.001 0.000 0.303 212 W C 2.626 178.994 176.519 -0.251 0.000 1.208 212 W CA 1.548 58.722 57.345 -0.285 0.000 1.274 212 W CB -0.004 29.295 29.460 -0.268 0.000 1.138 212 W HN 0.306 nan 8.180 nan 0.000 0.515 213 R N 0.433 120.975 120.500 0.070 0.000 2.105 213 R HA -0.194 4.147 4.340 0.001 0.000 0.239 213 R C 2.175 178.422 176.300 -0.088 0.000 1.135 213 R CA 1.750 57.849 56.100 -0.001 0.000 0.967 213 R CB -0.563 29.738 30.300 0.001 0.000 0.861 213 R HN 0.145 nan 8.270 nan 0.000 0.442 214 A N 0.112 122.776 122.820 -0.260 0.000 1.902 214 A HA -0.101 4.220 4.320 0.001 0.000 0.217 214 A C 2.241 179.737 177.584 -0.146 0.000 1.181 214 A CA 1.580 53.409 52.037 -0.347 0.000 0.623 214 A CB -0.490 17.990 19.000 -0.867 0.000 0.818 214 A HN 0.225 nan 8.150 nan 0.000 0.443 215 V N -0.145 119.706 119.914 -0.105 0.000 2.295 215 V HA -0.236 3.884 4.120 0.001 0.000 0.246 215 V C 3.051 179.239 176.094 0.158 0.000 1.049 215 V CA 1.943 64.268 62.300 0.041 0.000 1.024 215 V CB -1.263 30.488 31.823 -0.120 0.000 0.648 215 V HN 0.605 nan 8.190 nan 0.000 0.447 216 A N -0.187 122.655 122.820 0.038 0.000 1.972 216 A HA -0.282 4.039 4.320 0.001 0.000 0.219 216 A C 2.046 179.720 177.584 0.149 0.000 1.169 216 A CA 2.020 54.103 52.037 0.076 0.000 0.635 216 A CB -0.650 18.345 19.000 -0.010 0.000 0.810 216 A HN 0.561 nan 8.150 nan 0.000 0.446 217 D N -0.542 119.891 120.400 0.055 0.000 2.144 217 D HA -0.170 4.470 4.640 0.001 0.000 0.199 217 D C 2.099 178.391 176.300 -0.013 0.000 0.984 217 D CA 1.323 55.336 54.000 0.022 0.000 0.834 217 D CB -0.089 40.703 40.800 -0.015 0.000 0.955 217 D HN 0.319 nan 8.370 nan 0.000 0.465 218 R N -0.817 119.641 120.500 -0.070 0.000 2.090 218 R HA 0.015 4.355 4.340 0.001 0.000 0.228 218 R C 1.467 177.521 176.300 -0.409 0.000 1.110 218 R CA 1.222 57.143 56.100 -0.298 0.000 0.973 218 R CB -0.650 29.351 30.300 -0.498 0.000 0.869 218 R HN 0.191 nan 8.270 nan 0.000 0.440 219 F N -0.426 119.586 119.950 0.103 0.000 2.678 219 F HA 0.435 4.962 4.527 0.001 0.000 0.305 219 F C 1.801 177.706 175.800 0.175 0.000 1.090 219 F CA 0.190 58.280 58.000 0.151 0.000 1.272 219 F CB 0.047 39.190 39.000 0.238 0.000 1.060 219 F HN 0.092 nan 8.300 nan 0.000 0.576 220 A N -0.145 122.834 122.820 0.265 0.000 1.940 220 A HA -0.190 4.131 4.320 0.001 0.000 0.219 220 A C 1.568 179.236 177.584 0.140 0.000 1.176 220 A CA 2.088 54.249 52.037 0.207 0.000 0.631 220 A CB -0.458 18.627 19.000 0.141 0.000 0.814 220 A HN 0.193 nan 8.150 nan 0.000 0.446 221 D N -0.342 120.118 120.400 0.101 0.000 2.358 221 D HA 0.050 4.691 4.640 0.001 0.000 0.224 221 D C -0.155 176.196 176.300 0.085 0.000 1.123 221 D CA -0.071 53.973 54.000 0.073 0.000 0.833 221 D CB -0.208 40.616 40.800 0.039 0.000 0.946 221 D HN 0.273 nan 8.370 nan 0.000 0.505 222 N N 1.646 120.430 118.700 0.139 0.000 2.420 222 N HA -0.003 4.737 4.740 0.001 0.000 0.249 222 N C 0.400 175.993 175.510 0.138 0.000 1.033 222 N CA -0.097 53.050 53.050 0.161 0.000 0.944 222 N CB 1.078 39.747 38.487 0.304 0.000 1.113 222 N HN -0.115 nan 8.380 nan 0.000 0.502 223 D N 2.601 123.064 120.400 0.106 0.000 2.350 223 D HA -0.067 4.573 4.640 0.001 0.000 0.216 223 D C 1.136 177.498 176.300 0.103 0.000 0.968 223 D CA 0.518 54.574 54.000 0.094 0.000 0.894 223 D CB 0.407 41.253 40.800 0.077 0.000 0.909 223 D HN 0.643 nan 8.370 nan 0.000 0.520 224 A N 0.257 123.146 122.820 0.115 0.000 2.095 224 A HA 0.092 4.413 4.320 0.001 0.000 0.212 224 A C 1.157 178.802 177.584 0.101 0.000 1.162 224 A CA 0.026 52.136 52.037 0.121 0.000 0.753 224 A CB 0.407 19.488 19.000 0.134 0.000 0.840 224 A HN 0.020 nan 8.150 nan 0.000 0.468 225 V N 1.514 121.481 119.914 0.087 0.000 2.432 225 V HA 0.215 4.336 4.120 0.001 0.000 0.271 225 V C 1.284 177.395 176.094 0.029 0.000 1.046 225 V CA 0.443 62.764 62.300 0.036 0.000 0.945 225 V CB 1.223 33.069 31.823 0.038 0.000 0.992 225 V HN 0.424 nan 8.190 nan 0.000 0.471 226 V N 1.748 121.686 119.914 0.040 0.000 3.612 226 V HA 0.780 4.901 4.120 0.001 0.000 0.268 226 V C 0.524 176.650 176.094 0.055 0.000 1.365 226 V CA 0.619 62.967 62.300 0.080 0.000 1.044 226 V CB 0.249 32.138 31.823 0.110 0.000 0.820 226 V HN 0.882 nan 8.190 nan 0.000 0.444 227 A N -0.534 122.261 122.820 -0.042 0.000 2.594 227 A HA 0.836 5.157 4.320 0.001 0.000 0.295 227 A C -2.006 175.523 177.584 -0.091 0.000 1.071 227 A CA -0.461 51.555 52.037 -0.034 0.000 0.685 227 A CB 1.369 20.449 19.000 0.134 0.000 1.285 227 A HN 0.252 nan 8.150 nan 0.000 0.405 228 Y N 0.977 121.326 120.300 0.082 0.000 2.326 228 Y HA 0.428 4.978 4.550 0.001 0.000 0.331 228 Y C -0.244 175.619 175.900 -0.062 0.000 0.962 228 Y CA -1.336 56.744 58.100 -0.033 0.000 1.167 228 Y CB 1.766 39.963 38.460 -0.439 0.000 1.148 228 Y HN 0.670 nan 8.280 nan 0.000 0.463 229 D N 4.092 124.674 120.400 0.303 0.000 2.411 229 D HA 0.193 4.833 4.640 0.001 0.000 0.225 229 D C 0.815 177.332 176.300 0.361 0.000 1.156 229 D CA 0.115 54.278 54.000 0.271 0.000 0.874 229 D CB 0.852 41.850 40.800 0.331 0.000 1.034 229 D HN 0.624 nan 8.370 nan 0.000 0.502 230 L N 2.733 124.063 121.223 0.178 0.000 2.083 230 L HA 0.013 4.354 4.340 0.001 0.000 0.209 230 L C 1.298 178.611 176.870 0.738 0.000 1.083 230 L CA 0.782 55.788 54.840 0.278 0.000 0.752 230 L CB -0.184 41.960 42.059 0.141 0.000 0.899 230 L HN 0.448 nan 8.230 nan 0.000 0.433 231 M N -0.323 119.636 119.600 0.600 0.000 2.255 231 M HA 0.239 4.719 4.480 0.001 0.000 0.275 231 M C -1.122 175.400 176.300 0.370 0.000 1.050 231 M CA -0.555 55.072 55.300 0.545 0.000 0.978 231 M CB 1.953 34.881 32.600 0.545 0.000 1.761 231 M HN -0.135 nan 8.290 nan 0.000 0.479 232 N N 3.493 122.344 118.700 0.253 0.000 2.483 232 N HA 0.048 4.789 4.740 0.001 0.000 0.264 232 N C -0.791 174.789 175.510 0.117 0.000 1.197 232 N CA 1.014 54.128 53.050 0.107 0.000 0.927 232 N CB 0.458 38.773 38.487 -0.288 0.000 1.065 232 N HN 0.764 nan 8.380 nan 0.000 0.461 233 E N 0.346 120.591 120.200 0.076 0.000 2.202 233 E HA -0.205 4.145 4.350 0.001 0.000 0.169 233 E C -2.103 174.623 176.600 0.210 0.000 1.536 233 E CA -0.104 56.350 56.400 0.091 0.000 0.664 233 E CB -1.176 28.594 29.700 0.118 0.000 1.064 233 E HN 0.605 nan 8.360 nan 0.000 0.327 234 P HA -0.038 nan 4.420 nan 0.000 0.262 234 P C -0.693 176.835 177.300 0.380 0.000 1.182 234 P CA 0.607 63.977 63.100 0.449 0.000 0.761 234 P CB 0.251 32.209 31.700 0.431 0.000 0.795 235 F N 2.496 122.496 119.950 0.082 0.000 2.518 235 F HA 0.575 5.103 4.527 0.001 0.000 0.323 235 F C 0.917 176.288 175.800 -0.716 0.000 1.129 235 F CA -0.444 57.267 58.000 -0.482 0.000 0.920 235 F CB 1.593 40.050 39.000 -0.905 0.000 1.160 235 F HN 0.344 nan 8.300 nan 0.000 0.440 236 G N 2.959 110.596 108.800 -1.938 0.000 3.042 236 G HA2 0.384 4.345 3.960 0.001 0.000 0.212 236 G HA3 0.384 4.345 3.960 0.001 0.000 0.212 236 G C 0.924 175.151 174.900 -1.122 0.000 1.166 236 G CA 0.363 44.095 45.100 -2.279 0.000 0.767 236 G HN 1.418 nan 8.290 nan 0.000 0.546 237 G N 0.766 108.799 108.800 -1.280 0.000 2.596 237 G HA2 -0.360 3.600 3.960 0.001 0.000 0.304 237 G HA3 -0.360 3.600 3.960 0.001 0.000 0.304 237 G C 1.762 176.419 174.900 -0.405 0.000 1.189 237 G CA 1.620 46.434 45.100 -0.476 0.000 0.986 237 G HN 1.308 nan 8.290 nan 0.000 0.548 238 S N 0.278 115.878 115.700 -0.166 0.000 2.555 238 S HA 0.381 4.851 4.470 0.001 0.000 0.230 238 S C 1.077 175.572 174.600 -0.175 0.000 0.978 238 S CA 1.007 59.133 58.200 -0.122 0.000 0.934 238 S CB -0.091 63.092 63.200 -0.030 0.000 0.766 238 S HN 0.665 nan 8.310 nan 0.000 0.533 239 L N 2.169 123.225 121.223 -0.280 0.000 2.282 239 L HA 0.548 4.889 4.340 0.001 0.000 0.288 239 L C -0.213 176.421 176.870 -0.395 0.000 1.033 239 L CA -0.444 54.241 54.840 -0.260 0.000 0.807 239 L CB 1.213 43.153 42.059 -0.198 0.000 1.209 239 L HN 0.206 nan 8.230 nan 0.000 0.423 240 Q N 2.137 121.809 119.800 -0.213 0.000 2.379 240 Q HA 0.641 4.982 4.340 0.001 0.000 0.278 240 Q C 0.089 176.062 176.000 -0.046 0.000 1.068 240 Q CA -0.175 55.520 55.803 -0.181 0.000 0.816 240 Q CB 2.700 31.321 28.738 -0.194 0.000 1.387 240 Q HN 0.799 nan 8.270 nan 0.000 0.413 241 G N 2.085 110.889 108.800 0.006 0.000 2.584 241 G HA2 -0.221 3.740 3.960 0.001 0.000 0.229 241 G HA3 -0.221 3.740 3.960 0.001 0.000 0.229 241 G C -2.067 172.837 174.900 0.006 0.000 1.320 241 G CA -0.259 44.845 45.100 0.008 0.000 0.891 241 G HN 0.464 nan 8.290 nan 0.000 0.573 242 P HA -0.059 nan 4.420 nan 0.000 0.217 242 P C 2.245 179.513 177.300 -0.053 0.000 1.151 242 P CA 3.239 66.313 63.100 -0.042 0.000 0.849 242 P CB -0.254 31.426 31.700 -0.033 0.000 0.787 243 A N -1.611 121.191 122.820 -0.030 0.000 1.978 243 A HA -0.220 4.101 4.320 0.001 0.000 0.220 243 A C 2.050 179.623 177.584 -0.018 0.000 1.170 243 A CA 1.514 53.534 52.037 -0.028 0.000 0.636 243 A CB -1.611 17.377 19.000 -0.020 0.000 0.810 243 A HN 0.182 nan 8.150 nan 0.000 0.448 244 F N 0.553 120.382 119.950 -0.203 0.000 2.147 244 F HA 0.072 4.600 4.527 0.001 0.000 0.291 244 F C 2.086 177.700 175.800 -0.309 0.000 1.093 244 F CA 1.558 59.371 58.000 -0.313 0.000 1.263 244 F CB -0.585 38.188 39.000 -0.378 0.000 1.036 244 F HN 0.320 nan 8.300 nan 0.000 0.481 245 E N 0.246 120.143 120.200 -0.506 0.000 2.072 245 E HA -0.116 4.235 4.350 0.001 0.000 0.191 245 E C 2.074 178.449 176.600 -0.375 0.000 0.985 245 E CA 1.095 57.149 56.400 -0.577 0.000 0.801 245 E CB -0.357 29.183 29.700 -0.268 0.000 0.750 245 E HN 0.438 nan 8.360 nan 0.000 0.452 246 A N 0.823 123.505 122.820 -0.230 0.000 2.218 246 A HA 0.195 4.515 4.320 0.001 0.000 0.209 246 A C 1.566 179.063 177.584 -0.146 0.000 1.168 246 A CA 0.782 52.729 52.037 -0.151 0.000 0.804 246 A CB 0.014 18.958 19.000 -0.094 0.000 0.834 246 A HN 0.271 nan 8.150 nan 0.000 0.482 247 G N 0.064 108.751 108.800 -0.188 0.000 3.226 247 G HA2 0.285 4.246 3.960 0.001 0.000 0.190 247 G HA3 0.285 4.246 3.960 0.001 0.000 0.190 247 G C -0.830 173.966 174.900 -0.173 0.000 1.988 247 G CA 0.465 45.483 45.100 -0.136 0.000 0.859 247 G HN 0.197 nan 8.290 nan 0.000 0.631 248 P HA -0.029 nan 4.420 nan 0.000 0.220 248 P C 2.059 179.187 177.300 -0.286 0.000 1.148 248 P CA 0.557 63.592 63.100 -0.108 0.000 0.803 248 P CB 0.102 31.829 31.700 0.045 0.000 0.782 249 L N 0.636 121.397 121.223 -0.770 0.000 2.005 249 L HA -0.037 4.303 4.340 0.001 0.000 0.207 249 L C 2.545 179.071 176.870 -0.573 0.000 1.072 249 L CA 2.221 56.501 54.840 -0.933 0.000 0.744 249 L CB -1.653 39.534 42.059 -1.453 0.000 0.895 249 L HN -0.082 nan 8.230 nan 0.000 0.433 250 A N -0.506 122.103 122.820 -0.352 0.000 1.940 250 A HA -0.134 4.187 4.320 0.001 0.000 0.219 250 A C 2.427 180.002 177.584 -0.015 0.000 1.176 250 A CA 1.948 53.934 52.037 -0.086 0.000 0.631 250 A CB -1.195 17.766 19.000 -0.065 0.000 0.814 250 A HN 0.610 nan 8.150 nan 0.000 0.446 251 A N -0.891 121.901 122.820 -0.047 0.000 1.898 251 A HA -0.112 4.209 4.320 0.001 0.000 0.216 251 A C 2.210 179.837 177.584 0.071 0.000 1.181 251 A CA 1.907 53.956 52.037 0.020 0.000 0.620 251 A CB -0.493 18.519 19.000 0.020 0.000 0.819 251 A HN 0.536 nan 8.150 nan 0.000 0.442 252 M N -1.316 118.332 119.600 0.080 0.000 2.132 252 M HA -0.131 4.350 4.480 0.001 0.000 0.263 252 M C 1.903 178.333 176.300 0.215 0.000 1.065 252 M CA 1.830 57.224 55.300 0.157 0.000 1.122 252 M CB -0.801 31.959 32.600 0.265 0.000 1.365 252 M HN 0.457 nan 8.290 nan 0.000 0.411 253 Y N 0.813 121.199 120.300 0.143 0.000 2.165 253 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 253 Y C 2.710 178.645 175.900 0.058 0.000 1.155 253 Y CA 1.820 59.978 58.100 0.097 0.000 1.164 253 Y CB -1.376 37.121 38.460 0.061 0.000 0.978 253 Y HN 0.381 nan 8.280 nan 0.000 0.513 254 Q N 0.547 120.471 119.800 0.206 0.000 2.046 254 Q HA -0.160 4.180 4.340 0.001 0.000 0.200 254 Q C 2.464 178.525 176.000 0.101 0.000 0.975 254 Q CA 1.779 57.652 55.803 0.116 0.000 0.836 254 Q CB -0.295 28.490 28.738 0.078 0.000 0.896 254 Q HN 0.376 nan 8.270 nan 0.000 0.428 255 R N -1.114 119.455 120.500 0.115 0.000 2.081 255 R HA -0.105 4.236 4.340 0.001 0.000 0.235 255 R C 1.818 178.189 176.300 0.117 0.000 1.131 255 R CA 1.857 58.020 56.100 0.106 0.000 0.960 255 R CB -0.259 30.109 30.300 0.112 0.000 0.856 255 R HN 0.304 nan 8.270 nan 0.000 0.436 256 T N -0.210 114.438 114.554 0.156 0.000 2.812 256 T HA -0.066 4.285 4.350 0.001 0.000 0.264 256 T C 1.690 176.417 174.700 0.046 0.000 1.042 256 T CA 1.668 63.852 62.100 0.141 0.000 1.140 256 T CB -0.248 68.751 68.868 0.220 0.000 0.870 256 T HN 0.343 nan 8.240 nan 0.000 0.445 257 T N 2.293 116.871 114.554 0.041 0.000 2.684 257 T HA -0.147 4.204 4.350 0.001 0.000 0.267 257 T C 1.699 176.408 174.700 0.015 0.000 1.036 257 T CA 1.452 63.554 62.100 0.003 0.000 1.148 257 T CB -0.527 68.346 68.868 0.008 0.000 0.863 257 T HN 0.332 nan 8.240 nan 0.000 0.436 258 D N 1.192 121.612 120.400 0.034 0.000 2.123 258 D HA -0.027 4.614 4.640 0.001 0.000 0.196 258 D C 2.345 178.667 176.300 0.035 0.000 0.992 258 D CA 1.283 55.301 54.000 0.031 0.000 0.833 258 D CB -0.522 40.300 40.800 0.038 0.000 0.954 258 D HN 0.418 nan 8.370 nan 0.000 0.455 259 A N 0.693 123.542 122.820 0.049 0.000 1.877 259 A HA -0.126 4.195 4.320 0.001 0.000 0.216 259 A C 2.400 180.010 177.584 0.043 0.000 1.186 259 A CA 0.876 52.945 52.037 0.053 0.000 0.620 259 A CB -0.758 18.288 19.000 0.076 0.000 0.822 259 A HN 0.187 nan 8.150 nan 0.000 0.443 260 I N -0.724 119.866 120.570 0.033 0.000 2.208 260 I HA -0.243 3.928 4.170 0.001 0.000 0.245 260 I C 2.298 178.445 176.117 0.050 0.000 1.097 260 I CA 1.051 62.370 61.300 0.031 0.000 1.363 260 I CB -0.225 37.770 38.000 -0.010 0.000 1.051 260 I HN 0.201 nan 8.210 nan 0.000 0.413 261 R N 0.724 121.244 120.500 0.034 0.000 2.339 261 R HA -0.068 4.273 4.340 0.001 0.000 0.199 261 R C 1.857 178.173 176.300 0.026 0.000 1.018 261 R CA 0.516 56.631 56.100 0.026 0.000 1.036 261 R CB -0.326 29.977 30.300 0.005 0.000 0.899 261 R HN 0.588 nan 8.270 nan 0.000 0.473 262 Q N 0.038 119.857 119.800 0.031 0.000 2.297 262 Q HA -0.063 4.278 4.340 0.001 0.000 0.204 262 Q C 1.747 177.766 176.000 0.032 0.000 0.962 262 Q CA 1.492 57.312 55.803 0.029 0.000 0.879 262 Q CB 0.388 29.144 28.738 0.031 0.000 0.947 262 Q HN 0.282 nan 8.270 nan 0.000 0.462 263 V N -4.625 115.314 119.914 0.043 0.000 3.485 263 V HA 0.280 4.401 4.120 0.001 0.000 0.280 263 V C -0.274 175.863 176.094 0.071 0.000 1.495 263 V CA -0.258 62.072 62.300 0.049 0.000 1.018 263 V CB 1.189 33.039 31.823 0.045 0.000 0.818 263 V HN -0.026 nan 8.190 nan 0.000 0.436 264 D N 0.239 120.691 120.400 0.087 0.000 2.602 264 D HA 0.395 5.036 4.640 0.001 0.000 0.245 264 D C 0.129 176.473 176.300 0.074 0.000 1.325 264 D CA -0.106 53.965 54.000 0.118 0.000 0.952 264 D CB 2.331 43.275 40.800 0.241 0.000 1.317 264 D HN 0.089 nan 8.370 nan 0.000 0.577 265 Q N 1.246 121.066 119.800 0.033 0.000 2.384 265 Q HA 0.199 4.540 4.340 0.001 0.000 0.207 265 Q C 0.351 176.316 176.000 -0.058 0.000 0.904 265 Q CA 0.600 56.396 55.803 -0.012 0.000 0.933 265 Q CB 0.811 29.540 28.738 -0.015 0.000 1.077 265 Q HN 0.378 nan 8.270 nan 0.000 0.522 266 D N -0.954 119.419 120.400 -0.044 0.000 2.454 266 D HA 0.056 4.697 4.640 0.001 0.000 0.219 266 D C -0.095 176.125 176.300 -0.132 0.000 1.081 266 D CA 0.326 54.269 54.000 -0.094 0.000 0.867 266 D CB 0.433 41.214 40.800 -0.032 0.000 1.054 266 D HN 0.010 nan 8.370 nan 0.000 0.500 267 T N 1.242 115.744 114.554 -0.087 0.000 2.930 267 T HA 0.039 4.390 4.350 0.001 0.000 0.306 267 T C 0.049 174.662 174.700 -0.146 0.000 1.045 267 T CA -0.230 61.785 62.100 -0.142 0.000 1.134 267 T CB 0.532 69.150 68.868 -0.417 0.000 0.961 267 T HN -0.024 nan 8.240 nan 0.000 0.545 268 W N 2.203 123.408 121.300 -0.158 0.000 2.216 268 W HA 0.392 5.053 4.660 0.002 0.000 0.326 268 W C -0.234 176.219 176.519 -0.110 0.000 1.319 268 W CA -0.444 56.841 57.345 -0.100 0.000 1.213 268 W CB 0.249 29.670 29.460 -0.065 0.000 1.171 268 W HN 0.262 nan 8.180 nan 0.000 0.557 269 V N 4.812 124.791 119.914 0.109 0.000 2.350 269 V HA 0.194 4.315 4.120 0.001 0.000 0.276 269 V C -0.143 175.980 176.094 0.049 0.000 1.028 269 V CA -0.975 61.346 62.300 0.036 0.000 0.860 269 V CB 0.977 32.778 31.823 -0.035 0.000 0.990 269 V HN 0.626 nan 8.190 nan 0.000 0.453 270 c N 6.795 125.411 118.600 0.026 0.000 2.329 270 c HA 0.791 5.362 4.570 0.001 0.000 0.329 270 c C 0.040 174.069 174.090 -0.101 0.000 1.275 270 c CA -0.452 55.892 56.329 0.026 0.000 1.726 270 c CB 0.493 43.059 42.510 0.093 0.000 2.291 270 c HN 0.816 nan 8.230 nan 0.000 0.514 271 V N 3.694 123.512 119.914 -0.159 0.000 2.628 271 V HA 0.971 5.092 4.120 0.001 0.000 0.306 271 V C -0.011 176.033 176.094 -0.082 0.000 1.045 271 V CA -0.475 61.561 62.300 -0.440 0.000 0.905 271 V CB 1.306 32.665 31.823 -0.774 0.000 0.997 271 V HN 1.115 nan 8.190 nan 0.000 0.436 272 A N 5.364 128.197 122.820 0.021 0.000 2.337 272 A HA 1.025 5.346 4.320 0.001 0.000 0.331 272 A C -2.569 175.178 177.584 0.271 0.000 1.137 272 A CA -2.010 50.086 52.037 0.099 0.000 0.807 272 A CB 1.455 20.493 19.000 0.064 0.000 1.250 272 A HN 0.812 nan 8.150 nan 0.000 0.468 273 P HA 0.206 nan 4.420 nan 0.000 0.277 273 P C -0.714 176.670 177.300 0.139 0.000 1.271 273 P CA -0.409 62.814 63.100 0.205 0.000 0.795 273 P CB 0.323 32.153 31.700 0.218 0.000 1.101 274 Q N -0.338 119.532 119.800 0.117 0.000 2.386 274 Q HA 0.235 4.575 4.340 0.001 0.000 0.282 274 Q C 0.722 176.792 176.000 0.116 0.000 1.050 274 Q CA -0.130 55.777 55.803 0.173 0.000 0.918 274 Q CB 0.342 29.225 28.738 0.242 0.000 1.266 274 Q HN 0.428 nan 8.270 nan 0.000 0.423 275 A N 3.630 126.508 122.820 0.098 0.000 1.878 275 A HA 0.006 4.327 4.320 0.001 0.000 0.213 275 A C 0.891 178.519 177.584 0.073 0.000 1.192 275 A CA 0.182 52.264 52.037 0.075 0.000 0.619 275 A CB -0.129 18.905 19.000 0.057 0.000 0.837 275 A HN 0.794 nan 8.150 nan 0.000 0.446 276 I N 0.035 120.626 120.570 0.035 0.000 2.683 276 I HA 0.392 4.563 4.170 0.001 0.000 0.286 276 I C 1.420 177.562 176.117 0.042 0.000 1.175 276 I CA 1.188 62.499 61.300 0.018 0.000 1.429 276 I CB 0.140 38.141 38.000 0.000 0.000 1.371 276 I HN 0.734 nan 8.210 nan 0.000 0.569 277 G N 4.889 113.720 108.800 0.052 0.000 3.329 277 G HA2 -0.310 3.651 3.960 0.001 0.000 0.220 277 G HA3 -0.310 3.651 3.960 0.001 0.000 0.220 277 G C 0.930 175.889 174.900 0.100 0.000 1.358 277 G CA 0.325 45.462 45.100 0.062 0.000 0.856 277 G HN 0.646 nan 8.290 nan 0.000 0.551 278 V N 1.749 121.729 119.914 0.111 0.000 2.427 278 V HA -0.129 3.992 4.120 0.001 0.000 0.248 278 V C 2.544 178.779 176.094 0.235 0.000 1.051 278 V CA 2.559 64.949 62.300 0.151 0.000 1.048 278 V CB -0.631 31.272 31.823 0.134 0.000 0.666 278 V HN 0.502 nan 8.190 nan 0.000 0.456 279 N N 0.486 119.320 118.700 0.225 0.000 2.192 279 N HA -0.194 4.547 4.740 0.001 0.000 0.188 279 N C 1.741 177.404 175.510 0.254 0.000 1.013 279 N CA 1.202 54.423 53.050 0.285 0.000 0.863 279 N CB -0.283 38.385 38.487 0.302 0.000 0.990 279 N HN 0.549 nan 8.380 nan 0.000 0.430 280 Q N -1.390 118.531 119.800 0.200 0.000 2.319 280 Q HA 0.370 4.711 4.340 0.001 0.000 0.202 280 Q C 0.851 176.952 176.000 0.168 0.000 0.896 280 Q CA 0.414 56.312 55.803 0.158 0.000 0.942 280 Q CB 0.535 29.339 28.738 0.110 0.000 1.083 280 Q HN 0.344 nan 8.270 nan 0.000 0.510 281 G N -0.692 108.248 108.800 0.233 0.000 2.168 281 G HA2 -0.193 3.768 3.960 0.001 0.000 0.197 281 G HA3 -0.193 3.768 3.960 0.001 0.000 0.197 281 G C -0.446 174.539 174.900 0.142 0.000 0.997 281 G CA -0.551 44.690 45.100 0.235 0.000 0.658 281 G HN 0.141 nan 8.290 nan 0.000 0.513 282 L N 2.101 123.393 121.223 0.115 0.000 2.439 282 L HA 0.555 4.896 4.340 0.001 0.000 0.261 282 L C -1.347 175.557 176.870 0.056 0.000 1.153 282 L CA -1.944 52.937 54.840 0.068 0.000 0.808 282 L CB 0.209 42.301 42.059 0.055 0.000 1.126 282 L HN -0.045 nan 8.230 nan 0.000 0.460 283 P HA 0.080 nan 4.420 nan 0.000 0.272 283 P C -0.815 176.507 177.300 0.036 0.000 1.223 283 P CA -0.405 62.704 63.100 0.015 0.000 0.784 283 P CB 0.988 32.673 31.700 -0.025 0.000 0.923 284 S N 0.450 116.183 115.700 0.053 0.000 2.541 284 S HA 0.532 5.003 4.470 0.001 0.000 0.283 284 S C 1.204 175.820 174.600 0.028 0.000 1.196 284 S CA -0.359 57.874 58.200 0.056 0.000 1.062 284 S CB 0.152 63.414 63.200 0.103 0.000 1.009 284 S HN 0.532 nan 8.310 nan 0.000 0.502 285 G N 3.275 112.076 108.800 0.001 0.000 3.371 285 G HA2 0.216 4.177 3.960 0.001 0.000 0.248 285 G HA3 0.216 4.177 3.960 0.001 0.000 0.248 285 G C 0.116 174.985 174.900 -0.051 0.000 1.161 285 G CA -0.290 44.797 45.100 -0.021 0.000 0.796 285 G HN 0.605 nan 8.290 nan 0.000 0.539 286 L N 2.895 124.088 121.223 -0.050 0.000 2.485 286 L HA 0.392 4.733 4.340 0.001 0.000 0.275 286 L C 0.849 177.669 176.870 -0.083 0.000 1.207 286 L CA 0.221 55.025 54.840 -0.060 0.000 0.855 286 L CB 0.678 42.736 42.059 -0.002 0.000 1.114 286 L HN 0.148 nan 8.230 nan 0.000 0.485 287 T N 1.720 116.232 114.554 -0.069 0.000 2.949 287 T HA 0.374 4.725 4.350 0.001 0.000 0.287 287 T C -0.161 174.500 174.700 -0.064 0.000 1.034 287 T CA -1.078 60.978 62.100 -0.073 0.000 1.018 287 T CB 0.931 69.764 68.868 -0.058 0.000 1.135 287 T HN 0.650 nan 8.240 nan 0.000 0.532 288 K N 0.875 121.232 120.400 -0.072 0.000 2.448 288 K HA 0.188 4.509 4.320 0.001 0.000 0.278 288 K C -0.499 176.082 176.600 -0.031 0.000 1.009 288 K CA -0.418 55.829 56.287 -0.066 0.000 0.995 288 K CB 0.120 32.578 32.500 -0.068 0.000 0.917 288 K HN 0.428 nan 8.250 nan 0.000 0.481 289 I N 3.956 124.511 120.570 -0.025 0.000 2.359 289 I HA 0.154 4.325 4.170 0.001 0.000 0.294 289 I C -0.086 176.021 176.117 -0.017 0.000 0.987 289 I CA -0.639 60.660 61.300 -0.001 0.000 1.225 289 I CB 1.402 39.407 38.000 0.008 0.000 1.366 289 I HN 0.625 nan 8.210 nan 0.000 0.466 290 D N 4.308 124.702 120.400 -0.009 0.000 2.304 290 D HA 0.138 4.778 4.640 0.001 0.000 0.250 290 D C -0.275 176.011 176.300 -0.024 0.000 1.107 290 D CA 0.066 54.055 54.000 -0.019 0.000 0.885 290 D CB 1.584 42.377 40.800 -0.012 0.000 1.192 290 D HN 0.343 nan 8.370 nan 0.000 0.436 291 D N 2.080 122.455 120.400 -0.041 0.000 2.392 291 D HA 0.174 4.815 4.640 0.001 0.000 0.228 291 D C -1.685 174.585 176.300 -0.050 0.000 1.074 291 D CA -2.044 51.922 54.000 -0.056 0.000 0.838 291 D CB 1.751 42.495 40.800 -0.094 0.000 1.067 291 D HN 0.033 nan 8.370 nan 0.000 0.511 292 P HA -0.027 nan 4.420 nan 0.000 0.242 292 P C 0.343 177.620 177.300 -0.038 0.000 1.197 292 P CA 0.011 63.093 63.100 -0.029 0.000 0.765 292 P CB 0.006 31.697 31.700 -0.015 0.000 0.936 293 R N 0.484 120.950 120.500 -0.056 0.000 2.698 293 R HA 0.353 4.693 4.340 0.001 0.000 0.266 293 R C -0.041 176.224 176.300 -0.059 0.000 1.026 293 R CA -0.325 55.737 56.100 -0.064 0.000 1.102 293 R CB 0.002 30.241 30.300 -0.100 0.000 0.978 293 R HN -0.120 nan 8.270 nan 0.000 0.436 294 A N 2.619 125.411 122.820 -0.047 0.000 2.488 294 A HA 0.480 4.801 4.320 0.001 0.000 0.249 294 A C 1.032 178.586 177.584 -0.051 0.000 1.083 294 A CA 0.633 52.646 52.037 -0.040 0.000 0.768 294 A CB -0.396 18.588 19.000 -0.028 0.000 1.017 294 A HN 1.314 nan 8.150 nan 0.000 0.496 295 G N 1.577 110.350 108.800 -0.045 0.000 2.545 295 G HA2 -0.123 3.838 3.960 0.001 0.000 0.216 295 G HA3 -0.123 3.838 3.960 0.001 0.000 0.216 295 G C -0.288 174.574 174.900 -0.063 0.000 1.314 295 G CA -0.057 45.014 45.100 -0.048 0.000 0.906 295 G HN 1.056 nan 8.290 nan 0.000 0.563 296 Q N 0.671 120.430 119.800 -0.069 0.000 2.392 296 Q HA 0.340 4.681 4.340 0.001 0.000 0.262 296 Q C 0.635 176.551 176.000 -0.141 0.000 1.003 296 Q CA -0.060 55.697 55.803 -0.077 0.000 0.888 296 Q CB 0.496 29.206 28.738 -0.047 0.000 1.260 296 Q HN 0.533 nan 8.270 nan 0.000 0.435 297 Q N 1.562 121.287 119.800 -0.125 0.000 2.361 297 Q HA 0.049 4.390 4.340 0.001 0.000 0.276 297 Q C -0.233 175.563 176.000 -0.340 0.000 1.022 297 Q CA 0.664 56.364 55.803 -0.172 0.000 0.898 297 Q CB 0.572 29.252 28.738 -0.096 0.000 1.246 297 Q HN 0.376 nan 8.270 nan 0.000 0.410 298 R N 2.206 122.410 120.500 -0.492 0.000 2.835 298 R HA 0.352 4.693 4.340 0.001 0.000 0.290 298 R C -0.713 175.367 176.300 -0.368 0.000 1.410 298 R CA -0.303 55.160 56.100 -1.062 0.000 1.590 298 R CB 0.531 29.937 30.300 -1.490 0.000 1.288 298 R HN 0.417 nan 8.270 nan 0.000 0.637 299 I N 1.071 121.637 120.570 -0.007 0.000 2.412 299 I HA 0.565 4.735 4.170 0.001 0.000 0.296 299 I C 0.395 176.724 176.117 0.353 0.000 0.987 299 I CA -0.846 60.540 61.300 0.144 0.000 1.180 299 I CB 1.581 39.600 38.000 0.032 0.000 1.340 299 I HN 0.286 nan 8.210 nan 0.000 0.455 300 A N 5.547 128.539 122.820 0.285 0.000 2.430 300 A HA 0.684 5.005 4.320 0.001 0.000 0.300 300 A C -1.800 175.880 177.584 0.160 0.000 1.124 300 A CA -0.483 51.669 52.037 0.191 0.000 0.766 300 A CB 1.686 20.740 19.000 0.089 0.000 1.328 300 A HN 0.537 nan 8.150 nan 0.000 0.424 301 Y N 0.151 120.433 120.300 -0.029 0.000 2.331 301 Y HA 0.488 5.039 4.550 0.001 0.000 0.338 301 Y C -0.414 175.487 175.900 0.002 0.000 0.976 301 Y CA -1.523 56.553 58.100 -0.040 0.000 1.137 301 Y CB 1.493 39.911 38.460 -0.071 0.000 1.172 301 Y HN 0.564 nan 8.280 nan 0.000 0.478 302 c N 9.540 128.002 118.600 -0.230 0.000 3.094 302 c HA 0.337 4.908 4.570 0.001 0.000 0.262 302 c C -2.208 171.777 174.090 -0.176 0.000 1.459 302 c CA -1.365 54.895 56.329 -0.115 0.000 1.570 302 c CB -1.016 41.533 42.510 0.066 0.000 2.056 302 c HN 0.616 nan 8.230 nan 0.000 0.499 303 P HA 0.222 nan 4.420 nan 0.000 0.274 303 P C -0.627 176.856 177.300 0.306 0.000 1.256 303 P CA 0.420 63.420 63.100 -0.166 0.000 0.795 303 P CB 0.928 32.461 31.700 -0.279 0.000 1.038 304 H N -0.839 118.348 119.070 0.194 0.000 2.676 304 H HA 0.616 5.173 4.556 0.001 0.000 0.352 304 H C -0.790 174.582 175.328 0.075 0.000 1.193 304 H CA -1.039 55.090 56.048 0.134 0.000 1.243 304 H CB 1.702 31.580 29.762 0.194 0.000 1.751 304 H HN 0.206 nan 8.280 nan 0.000 0.567 305 L N 2.175 123.276 121.223 -0.204 0.000 2.406 305 L HA 0.278 4.619 4.340 0.001 0.000 0.270 305 L C -2.026 174.545 176.870 -0.498 0.000 0.982 305 L CA -0.464 54.073 54.840 -0.505 0.000 0.843 305 L CB 0.496 41.893 42.059 -1.103 0.000 1.225 305 L HN 0.548 nan 8.230 nan 0.000 0.412 306 Y N 5.436 125.751 120.300 0.024 0.000 2.563 306 Y HA 0.459 5.010 4.550 0.001 0.000 0.351 306 Y C -2.320 173.600 175.900 0.032 0.000 1.087 306 Y CA -2.328 55.809 58.100 0.061 0.000 1.272 306 Y CB 0.953 39.473 38.460 0.100 0.000 1.095 306 Y HN 0.530 nan 8.280 nan 0.000 0.620 307 P HA 0.053 nan 4.420 nan 0.000 0.265 307 P C 1.102 178.436 177.300 0.057 0.000 1.193 307 P CA 0.267 63.402 63.100 0.059 0.000 0.765 307 P CB 1.034 32.732 31.700 -0.004 0.000 0.823 308 L N 4.872 126.128 121.223 0.056 0.000 2.013 308 L HA -0.175 4.166 4.340 0.001 0.000 0.212 308 L C -0.398 176.485 176.870 0.022 0.000 1.073 308 L CA 2.063 56.928 54.840 0.041 0.000 0.753 308 L CB -1.927 40.153 42.059 0.035 0.000 0.890 308 L HN 0.483 nan 8.230 nan 0.000 0.432 309 P HA -0.100 nan 4.420 nan 0.000 0.219 309 P C 0.643 177.936 177.300 -0.011 0.000 1.146 309 P CA 1.071 64.173 63.100 0.003 0.000 0.808 309 P CB 0.100 31.804 31.700 0.006 0.000 0.779 317 E N 0.608 120.731 120.200 -0.128 0.000 2.430 317 E HA 0.575 4.926 4.350 0.001 0.000 0.279 317 E C 0.465 177.005 176.600 -0.099 0.000 1.003 317 E CA -1.199 55.127 56.400 -0.123 0.000 0.801 317 E CB 1.859 31.532 29.700 -0.046 0.000 1.313 317 E HN 0.496 nan 8.360 nan 0.000 0.459 318 G N 0.808 109.559 108.800 -0.083 0.000 2.566 318 G HA2 -0.353 3.608 3.960 0.001 0.000 0.280 318 G HA3 -0.353 3.608 3.960 0.001 0.000 0.280 318 G C 0.529 175.393 174.900 -0.061 0.000 1.225 318 G CA 0.397 45.463 45.100 -0.056 0.000 0.966 318 G HN 0.695 nan 8.290 nan 0.000 0.560 319 L N 1.069 122.269 121.223 -0.038 0.000 2.083 319 L HA 0.273 4.614 4.340 0.001 0.000 0.209 319 L C 3.288 180.139 176.870 -0.032 0.000 1.083 319 L CA 3.107 57.929 54.840 -0.029 0.000 0.752 319 L CB -1.198 40.852 42.059 -0.016 0.000 0.899 319 L HN 1.384 nan 8.230 nan 0.000 0.433 320 A N -0.252 122.547 122.820 -0.035 0.000 1.917 320 A HA -0.301 4.020 4.320 0.001 0.000 0.219 320 A C 2.533 180.090 177.584 -0.044 0.000 1.182 320 A CA 2.015 54.037 52.037 -0.026 0.000 0.633 320 A CB -0.663 18.326 19.000 -0.018 0.000 0.819 320 A HN 0.537 nan 8.150 nan 0.000 0.448 321 R N -0.879 119.536 120.500 -0.142 0.000 2.081 321 R HA -0.109 4.231 4.340 0.001 0.000 0.235 321 R C 2.157 178.388 176.300 -0.114 0.000 1.131 321 R CA 2.105 58.014 56.100 -0.318 0.000 0.960 321 R CB -0.677 29.328 30.300 -0.492 0.000 0.856 321 R HN 0.473 nan 8.270 nan 0.000 0.436 322 T N 1.408 115.922 114.554 -0.068 0.000 2.708 322 T HA -0.128 4.223 4.350 0.001 0.000 0.266 322 T C 1.779 176.489 174.700 0.016 0.000 1.037 322 T CA 1.517 63.607 62.100 -0.017 0.000 1.146 322 T CB -0.175 68.684 68.868 -0.016 0.000 0.865 322 T HN 0.166 nan 8.240 nan 0.000 0.435 323 L N 0.598 121.830 121.223 0.015 0.000 2.046 323 L HA -0.127 4.214 4.340 0.001 0.000 0.208 323 L C 2.942 179.847 176.870 0.058 0.000 1.077 323 L CA 1.232 56.091 54.840 0.031 0.000 0.747 323 L CB -0.968 41.104 42.059 0.022 0.000 0.896 323 L HN 0.275 nan 8.230 nan 0.000 0.432 324 T N -1.223 113.380 114.554 0.082 0.000 2.777 324 T HA -0.161 4.189 4.350 0.001 0.000 0.266 324 T C 1.475 176.277 174.700 0.169 0.000 1.040 324 T CA 1.274 63.453 62.100 0.132 0.000 1.141 324 T CB -0.185 68.797 68.868 0.192 0.000 0.868 324 T HN 0.289 nan 8.240 nan 0.000 0.444 325 D N 1.038 121.539 120.400 0.168 0.000 2.117 325 D HA -0.090 4.551 4.640 0.001 0.000 0.197 325 D C 2.388 178.743 176.300 0.092 0.000 0.987 325 D CA 1.258 55.340 54.000 0.136 0.000 0.829 325 D CB -0.415 40.446 40.800 0.102 0.000 0.961 325 D HN 0.420 nan 8.370 nan 0.000 0.460 326 V N -1.337 118.622 119.914 0.074 0.000 2.667 326 V HA -0.115 4.005 4.120 0.001 0.000 0.252 326 V C 2.137 178.280 176.094 0.083 0.000 1.065 326 V CA 1.606 63.944 62.300 0.065 0.000 1.083 326 V CB -1.026 30.825 31.823 0.047 0.000 0.692 326 V HN -0.018 nan 8.190 nan 0.000 0.468 327 T N 1.410 116.020 114.554 0.092 0.000 2.684 327 T HA -0.081 4.270 4.350 0.001 0.000 0.267 327 T C 1.838 176.627 174.700 0.150 0.000 1.036 327 T CA 2.406 64.574 62.100 0.113 0.000 1.148 327 T CB -0.436 68.491 68.868 0.098 0.000 0.863 327 T HN 0.506 nan 8.240 nan 0.000 0.436 328 I N 1.276 121.916 120.570 0.118 0.000 2.208 328 I HA -0.198 3.973 4.170 0.001 0.000 0.245 328 I C 2.344 178.569 176.117 0.181 0.000 1.097 328 I CA 1.215 62.582 61.300 0.112 0.000 1.363 328 I CB -0.398 37.616 38.000 0.024 0.000 1.051 328 I HN 0.159 nan 8.210 nan 0.000 0.413 329 D N 1.122 121.595 120.400 0.122 0.000 2.097 329 D HA -0.171 4.470 4.640 0.001 0.000 0.195 329 D C 2.275 178.639 176.300 0.107 0.000 0.989 329 D CA 1.716 55.775 54.000 0.098 0.000 0.827 329 D CB -0.279 40.559 40.800 0.062 0.000 0.966 329 D HN 0.366 nan 8.370 nan 0.000 0.456 330 A N 0.400 123.290 122.820 0.116 0.000 1.877 330 A HA -0.176 4.145 4.320 0.001 0.000 0.216 330 A C 2.192 179.857 177.584 0.134 0.000 1.186 330 A CA 1.593 53.690 52.037 0.101 0.000 0.620 330 A CB -1.352 17.707 19.000 0.098 0.000 0.822 330 A HN 0.415 nan 8.150 nan 0.000 0.443 331 W N 0.741 122.049 121.300 0.014 0.000 2.338 331 W HA -0.244 4.416 4.660 0.001 0.000 0.304 331 W C 2.452 178.978 176.519 0.012 0.000 1.212 331 W CA 2.376 59.730 57.345 0.016 0.000 1.264 331 W CB -0.175 29.286 29.460 0.001 0.000 1.142 331 W HN 0.344 nan 8.180 nan 0.000 0.512 332 R N 0.373 120.990 120.500 0.195 0.000 2.073 332 R HA -0.172 4.169 4.340 0.001 0.000 0.234 332 R C 2.301 178.524 176.300 -0.129 0.000 1.134 332 R CA 2.126 58.217 56.100 -0.014 0.000 0.952 332 R CB -0.864 29.508 30.300 0.120 0.000 0.850 332 R HN 0.191 nan 8.270 nan 0.000 0.433 333 A N 1.308 124.098 122.820 -0.049 0.000 1.883 333 A HA -0.193 4.128 4.320 0.001 0.000 0.217 333 A C 1.842 179.384 177.584 -0.070 0.000 1.186 333 A CA 1.749 53.757 52.037 -0.049 0.000 0.624 333 A CB -0.664 18.321 19.000 -0.024 0.000 0.822 333 A HN 0.458 nan 8.150 nan 0.000 0.444 334 N N -0.367 118.275 118.700 -0.098 0.000 2.142 334 N HA -0.099 4.641 4.740 0.001 0.000 0.186 334 N C 1.781 177.222 175.510 -0.115 0.000 1.023 334 N CA 1.908 54.908 53.050 -0.082 0.000 0.852 334 N CB -0.879 37.565 38.487 -0.073 0.000 0.998 334 N HN 0.481 nan 8.380 nan 0.000 0.424 335 T N 1.369 115.730 114.554 -0.322 0.000 2.708 335 T HA -0.078 4.273 4.350 0.001 0.000 0.266 335 T C 1.998 176.603 174.700 -0.159 0.000 1.037 335 T CA 1.443 63.358 62.100 -0.307 0.000 1.146 335 T CB -0.357 67.968 68.868 -0.905 0.000 0.865 335 T HN 0.342 nan 8.240 nan 0.000 0.435 336 A N 1.071 123.788 122.820 -0.172 0.000 1.908 336 A HA -0.199 4.122 4.320 0.001 0.000 0.218 336 A C 2.000 179.531 177.584 -0.089 0.000 1.181 336 A CA 2.392 54.363 52.037 -0.110 0.000 0.627 336 A CB -1.000 17.951 19.000 -0.080 0.000 0.818 336 A HN 0.708 nan 8.150 nan 0.000 0.445 337 H N -0.306 118.678 119.070 -0.143 0.000 2.293 337 H HA -0.093 4.463 4.556 0.001 0.000 0.300 337 H C 2.080 177.296 175.328 -0.186 0.000 1.082 337 H CA 2.507 58.474 56.048 -0.136 0.000 1.308 337 H CB -0.455 29.239 29.762 -0.113 0.000 1.375 337 H HN 0.352 nan 8.280 nan 0.000 0.495 338 T N 0.318 114.679 114.554 -0.321 0.000 2.867 338 T HA -0.061 4.290 4.350 0.001 0.000 0.268 338 T C 2.195 176.513 174.700 -0.636 0.000 1.057 338 T CA 1.045 62.818 62.100 -0.544 0.000 1.136 338 T CB -0.636 67.882 68.868 -0.583 0.000 0.874 338 T HN 0.564 nan 8.240 nan 0.000 0.466 339 A N 1.812 124.340 122.820 -0.488 0.000 1.940 339 A HA -0.133 4.188 4.320 0.001 0.000 0.219 339 A C 2.381 179.817 177.584 -0.247 0.000 1.176 339 A CA 1.313 53.162 52.037 -0.313 0.000 0.631 339 A CB -0.434 18.488 19.000 -0.130 0.000 0.814 339 A HN 0.394 nan 8.150 nan 0.000 0.446 340 R N -0.804 119.541 120.500 -0.259 0.000 2.066 340 R HA -0.069 4.271 4.340 0.001 0.000 0.232 340 R C 2.068 178.217 176.300 -0.251 0.000 1.131 340 R CA 1.425 57.394 56.100 -0.219 0.000 0.955 340 R CB -0.654 29.527 30.300 -0.199 0.000 0.851 340 R HN 0.379 nan 8.270 nan 0.000 0.432 341 V N 1.839 121.528 119.914 -0.374 0.000 2.324 341 V HA -0.245 3.876 4.120 0.001 0.000 0.250 341 V C 2.191 178.150 176.094 -0.225 0.000 1.060 341 V CA 1.689 63.797 62.300 -0.319 0.000 1.042 341 V CB -0.412 31.174 31.823 -0.395 0.000 0.650 341 V HN 0.321 nan 8.190 nan 0.000 0.450 342 L N 0.028 121.103 121.223 -0.247 0.000 2.551 342 L HA 0.208 4.549 4.340 0.001 0.000 0.228 342 L C 1.399 178.204 176.870 -0.108 0.000 1.153 342 L CA 0.954 55.689 54.840 -0.174 0.000 0.851 342 L CB -0.353 41.585 42.059 -0.202 0.000 0.959 342 L HN 0.585 nan 8.230 nan 0.000 0.451 343 G N -0.352 108.383 108.800 -0.108 0.000 2.338 343 G HA2 -0.158 3.803 3.960 0.001 0.000 0.115 343 G HA3 -0.158 3.803 3.960 0.001 0.000 0.115 343 G C -0.258 174.615 174.900 -0.045 0.000 1.053 343 G CA -0.485 44.576 45.100 -0.066 0.000 0.733 343 G HN 0.251 nan 8.290 nan 0.000 0.482 344 D N -1.430 118.928 120.400 -0.069 0.000 2.737 344 D HA -0.163 4.478 4.640 0.001 0.000 0.238 344 D C 1.104 177.392 176.300 -0.020 0.000 1.157 344 D CA 1.483 55.453 54.000 -0.051 0.000 0.694 344 D CB -1.637 39.145 40.800 -0.031 0.000 1.021 344 D HN 1.678 nan 8.370 nan 0.000 0.420 345 V N -3.168 116.730 119.914 -0.027 0.000 2.997 345 V HA 0.746 4.867 4.120 0.001 0.000 0.311 345 V C -2.169 173.914 176.094 -0.019 0.000 1.066 345 V CA -1.753 60.566 62.300 0.031 0.000 1.039 345 V CB 1.335 33.193 31.823 0.058 0.000 1.081 345 V HN -0.168 nan 8.190 nan 0.000 0.467 346 P HA 0.416 nan 4.420 nan 0.000 0.272 346 P C -0.735 176.496 177.300 -0.115 0.000 1.223 346 P CA 0.082 63.069 63.100 -0.188 0.000 0.784 346 P CB 0.358 31.831 31.700 -0.377 0.000 0.923 347 I N 2.363 122.844 120.570 -0.148 0.000 2.474 347 I HA 0.419 4.590 4.170 0.001 0.000 0.294 347 I C -0.011 176.048 176.117 -0.096 0.000 1.005 347 I CA -0.539 60.720 61.300 -0.068 0.000 1.113 347 I CB 1.336 39.304 38.000 -0.053 0.000 1.289 347 I HN 0.088 nan 8.210 nan 0.000 0.436 348 I N 6.432 126.974 120.570 -0.046 0.000 2.418 348 I HA 0.205 4.376 4.170 0.001 0.000 0.287 348 I C -0.660 175.501 176.117 0.074 0.000 1.008 348 I CA -0.850 60.441 61.300 -0.016 0.000 1.104 348 I CB 2.036 40.035 38.000 -0.003 0.000 1.264 348 I HN 0.344 nan 8.210 nan 0.000 0.438 349 L N 6.880 128.165 121.223 0.102 0.000 2.462 349 L HA 0.322 4.663 4.340 0.001 0.000 0.283 349 L C 1.247 178.221 176.870 0.172 0.000 1.166 349 L CA 0.444 55.376 54.840 0.153 0.000 0.964 349 L CB 0.390 42.470 42.059 0.035 0.000 1.294 349 L HN 0.728 nan 8.230 nan 0.000 0.449 350 G N 4.085 113.034 108.800 0.248 0.000 2.443 350 G HA2 -0.053 3.907 3.960 0.001 0.000 0.219 350 G HA3 -0.053 3.907 3.960 0.001 0.000 0.219 350 G C 0.291 175.229 174.900 0.063 0.000 1.131 350 G CA 0.260 45.519 45.100 0.266 0.000 0.775 350 G HN 0.613 nan 8.290 nan 0.000 0.547 351 E N -1.347 118.759 120.200 -0.157 0.000 2.335 351 E HA 0.499 4.850 4.350 0.001 0.000 0.280 351 E C -1.668 174.788 176.600 -0.239 0.000 0.918 351 E CA -0.825 55.434 56.400 -0.235 0.000 0.765 351 E CB 2.517 31.889 29.700 -0.547 0.000 1.218 351 E HN 0.170 nan 8.360 nan 0.000 0.425 352 F N -0.106 119.575 119.950 -0.449 0.000 2.713 352 F HA 0.876 5.404 4.527 0.001 0.000 0.311 352 F C -0.789 174.698 175.800 -0.522 0.000 1.141 352 F CA -0.417 57.174 58.000 -0.682 0.000 0.939 352 F CB 1.791 40.427 39.000 -0.607 0.000 1.325 352 F HN 0.565 nan 8.300 nan 0.000 0.453 353 G N 1.374 109.745 108.800 -0.716 0.000 2.340 353 G HA2 0.589 4.550 3.960 0.001 0.000 0.298 353 G HA3 0.589 4.550 3.960 0.001 0.000 0.298 353 G C -2.359 172.185 174.900 -0.593 0.000 1.498 353 G CA -0.361 44.238 45.100 -0.834 0.000 0.847 353 G HN 1.775 nan 8.290 nan 0.000 0.594 354 L N -1.924 118.798 121.223 -0.834 0.000 2.838 354 L HA 0.804 5.145 4.340 0.001 0.000 0.266 354 L C -1.506 174.613 176.870 -1.252 0.000 1.040 354 L CA -1.180 52.871 54.840 -1.314 0.000 0.906 354 L CB 2.090 43.825 42.059 -0.541 0.000 1.501 354 L HN 0.514 nan 8.230 nan 0.000 0.407 355 D N 1.610 121.368 120.400 -1.071 0.000 2.363 355 D HA 0.068 4.708 4.640 0.001 0.000 0.263 355 D C 1.265 177.479 176.300 -0.144 0.000 1.258 355 D CA 0.692 54.472 54.000 -0.366 0.000 0.907 355 D CB 1.460 42.241 40.800 -0.032 0.000 1.107 355 D HN 0.754 nan 8.370 nan 0.000 0.495 356 T N -0.311 114.221 114.554 -0.038 0.000 3.098 356 T HA -0.147 4.204 4.350 0.001 0.000 0.266 356 T C 1.533 176.249 174.700 0.026 0.000 1.145 356 T CA 1.221 63.326 62.100 0.009 0.000 1.092 356 T CB -0.379 68.505 68.868 0.027 0.000 0.908 356 T HN 0.399 nan 8.240 nan 0.000 0.526 357 T N -0.339 114.236 114.554 0.036 0.000 3.107 357 T HA 0.352 4.702 4.350 0.001 0.000 0.249 357 T C 0.550 175.273 174.700 0.039 0.000 1.096 357 T CA -0.491 61.636 62.100 0.044 0.000 1.012 357 T CB -0.614 68.289 68.868 0.059 0.000 0.977 357 T HN 0.396 nan 8.240 nan 0.000 0.527 358 L N 2.473 123.711 121.223 0.026 0.000 2.367 358 L HA 0.356 4.697 4.340 0.001 0.000 0.275 358 L C -2.180 174.716 176.870 0.043 0.000 1.129 358 L CA -2.338 52.518 54.840 0.027 0.000 0.839 358 L CB 0.273 42.334 42.059 0.002 0.000 1.133 358 L HN -0.006 nan 8.230 nan 0.000 0.453 359 P HA 0.025 nan 4.420 nan 0.000 0.264 359 P C 0.770 178.125 177.300 0.091 0.000 1.183 359 P CA 0.651 63.786 63.100 0.057 0.000 0.763 359 P CB 0.704 32.429 31.700 0.042 0.000 0.807 360 G N 2.331 111.198 108.800 0.112 0.000 2.176 360 G HA2 -0.324 3.637 3.960 0.001 0.000 0.253 360 G HA3 -0.324 3.637 3.960 0.001 0.000 0.253 360 G C 1.190 176.221 174.900 0.218 0.000 0.979 360 G CA 0.494 45.714 45.100 0.200 0.000 0.641 360 G HN 0.679 nan 8.290 nan 0.000 0.530 361 A N 0.314 123.211 122.820 0.128 0.000 1.908 361 A HA 0.039 4.359 4.320 0.001 0.000 0.218 361 A C 2.160 179.827 177.584 0.139 0.000 1.181 361 A CA 2.490 54.592 52.037 0.107 0.000 0.627 361 A CB -0.489 18.549 19.000 0.063 0.000 0.818 361 A HN 0.693 nan 8.150 nan 0.000 0.445 362 R N -0.331 120.235 120.500 0.110 0.000 2.081 362 R HA -0.162 4.179 4.340 0.001 0.000 0.235 362 R C 1.514 177.876 176.300 0.103 0.000 1.131 362 R CA 1.889 58.045 56.100 0.094 0.000 0.960 362 R CB -0.328 30.012 30.300 0.066 0.000 0.856 362 R HN 0.462 nan 8.270 nan 0.000 0.436 363 D N -0.616 119.864 120.400 0.133 0.000 2.117 363 D HA -0.209 4.432 4.640 0.001 0.000 0.197 363 D C 1.554 177.925 176.300 0.118 0.000 0.987 363 D CA 1.197 55.284 54.000 0.144 0.000 0.829 363 D CB -0.433 40.495 40.800 0.214 0.000 0.961 363 D HN 0.291 nan 8.370 nan 0.000 0.460 364 Y N 1.434 121.677 120.300 -0.095 0.000 2.114 364 Y HA -0.172 4.378 4.550 0.001 0.000 0.284 364 Y C 2.219 178.078 175.900 -0.068 0.000 1.143 364 Y CA 1.261 59.181 58.100 -0.299 0.000 1.135 364 Y CB -0.549 37.538 38.460 -0.622 0.000 0.980 364 Y HN -0.103 nan 8.280 nan 0.000 0.499 365 I N 0.385 120.949 120.570 -0.012 0.000 2.163 365 I HA -0.324 3.847 4.170 0.001 0.000 0.243 365 I C 2.316 178.492 176.117 0.098 0.000 1.085 365 I CA 1.970 63.347 61.300 0.129 0.000 1.347 365 I CB -0.453 37.728 38.000 0.301 0.000 1.044 365 I HN 0.320 nan 8.210 nan 0.000 0.408 366 E N 0.223 120.457 120.200 0.056 0.000 2.106 366 E HA -0.253 4.098 4.350 0.001 0.000 0.192 366 E C 2.253 178.833 176.600 -0.033 0.000 0.984 366 E CA 0.862 57.289 56.400 0.044 0.000 0.806 366 E CB -0.121 29.596 29.700 0.028 0.000 0.750 366 E HN 0.355 nan 8.360 nan 0.000 0.458 367 R N 0.804 121.242 120.500 -0.103 0.000 2.075 367 R HA -0.120 4.220 4.340 0.001 0.000 0.232 367 R C 2.212 178.344 176.300 -0.281 0.000 1.126 367 R CA 0.985 56.997 56.100 -0.146 0.000 0.963 367 R CB -0.131 30.110 30.300 -0.099 0.000 0.858 367 R HN -0.016 nan 8.270 nan 0.000 0.435 368 V N 0.110 119.711 119.914 -0.522 0.000 2.295 368 V HA -0.252 3.868 4.120 0.001 0.000 0.246 368 V C 1.842 177.565 176.094 -0.619 0.000 1.049 368 V CA 1.766 63.578 62.300 -0.812 0.000 1.024 368 V CB -0.637 30.217 31.823 -1.616 0.000 0.648 368 V HN 0.348 nan 8.190 nan 0.000 0.447 369 Y N 1.260 121.338 120.300 -0.370 0.000 2.293 369 Y HA -0.070 4.481 4.550 0.001 0.000 0.291 369 Y C 2.513 178.297 175.900 -0.194 0.000 1.137 369 Y CA 1.487 59.460 58.100 -0.211 0.000 1.202 369 Y CB -0.953 37.447 38.460 -0.101 0.000 0.990 369 Y HN 0.272 nan 8.280 nan 0.000 0.537 370 G N -1.288 107.472 108.800 -0.066 0.000 2.402 370 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 370 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 370 G C 1.746 176.564 174.900 -0.137 0.000 1.162 370 G CA 1.525 46.551 45.100 -0.125 0.000 0.777 370 G HN 0.308 nan 8.290 nan 0.000 0.539 371 T N 1.690 116.158 114.554 -0.142 0.000 2.708 371 T HA 0.020 4.371 4.350 0.001 0.000 0.266 371 T C 2.843 177.500 174.700 -0.072 0.000 1.037 371 T CA 1.506 63.546 62.100 -0.099 0.000 1.146 371 T CB -0.406 68.399 68.868 -0.104 0.000 0.865 371 T HN 0.360 nan 8.240 nan 0.000 0.435 372 A N 1.844 124.591 122.820 -0.121 0.000 1.908 372 A HA -0.176 4.145 4.320 0.001 0.000 0.218 372 A C 2.281 179.859 177.584 -0.011 0.000 1.181 372 A CA 2.094 54.092 52.037 -0.065 0.000 0.627 372 A CB -0.668 18.248 19.000 -0.140 0.000 0.818 372 A HN 0.471 nan 8.150 nan 0.000 0.445 373 R N -0.051 120.422 120.500 -0.045 0.000 2.083 373 R HA -0.191 4.150 4.340 0.001 0.000 0.237 373 R C 1.998 178.250 176.300 -0.081 0.000 1.137 373 R CA 1.967 58.014 56.100 -0.089 0.000 0.951 373 R CB -0.374 29.651 30.300 -0.457 0.000 0.851 373 R HN 0.673 nan 8.270 nan 0.000 0.434 374 E N -0.061 120.075 120.200 -0.107 0.000 2.153 374 E HA -0.187 4.163 4.350 0.001 0.000 0.194 374 E C 1.849 178.438 176.600 -0.017 0.000 0.988 374 E CA 1.492 57.853 56.400 -0.064 0.000 0.811 374 E CB -0.040 29.621 29.700 -0.066 0.000 0.746 374 E HN 0.466 nan 8.360 nan 0.000 0.466 375 M N -0.640 118.950 119.600 -0.017 0.000 2.618 375 M HA 0.112 4.593 4.480 0.001 0.000 0.240 375 M C 1.016 177.271 176.300 -0.075 0.000 1.123 375 M CA 0.490 55.770 55.300 -0.033 0.000 1.060 375 M CB 0.615 33.203 32.600 -0.021 0.000 1.535 375 M HN 0.194 nan 8.290 nan 0.000 0.507 376 G N 1.506 110.293 108.800 -0.021 0.000 2.249 376 G HA2 -0.200 3.761 3.960 0.001 0.000 0.273 376 G HA3 -0.200 3.761 3.960 0.001 0.000 0.273 376 G C 0.004 174.762 174.900 -0.236 0.000 1.036 376 G CA 0.200 45.229 45.100 -0.118 0.000 0.824 376 G HN 0.682 nan 8.290 nan 0.000 0.504 377 A N -0.390 122.389 122.820 -0.067 0.000 2.303 377 A HA 0.884 5.205 4.320 0.001 0.000 0.317 377 A C 1.023 178.589 177.584 -0.030 0.000 1.149 377 A CA 0.494 52.487 52.037 -0.073 0.000 0.822 377 A CB 1.020 20.013 19.000 -0.012 0.000 1.131 377 A HN 1.673 nan 8.150 nan 0.000 0.493 378 G N -0.480 108.261 108.800 -0.098 0.000 2.599 378 G HA2 0.510 4.471 3.960 0.001 0.000 0.264 378 G HA3 0.510 4.471 3.960 0.001 0.000 0.264 378 G C -0.744 174.131 174.900 -0.041 0.000 1.200 378 G CA -0.218 44.800 45.100 -0.136 0.000 0.896 378 G HN 1.044 nan 8.290 nan 0.000 0.536 379 V N 0.244 120.176 119.914 0.030 0.000 2.668 379 V HA 0.484 4.605 4.120 0.001 0.000 0.304 379 V C -0.350 175.927 176.094 0.304 0.000 1.071 379 V CA -0.891 61.485 62.300 0.126 0.000 0.894 379 V CB 1.934 33.787 31.823 0.050 0.000 1.008 379 V HN 1.008 nan 8.190 nan 0.000 0.425 380 S N 3.842 119.743 115.700 0.336 0.000 2.594 380 S HA 0.598 5.068 4.470 0.001 0.000 0.322 380 S C -0.901 173.821 174.600 0.203 0.000 1.085 380 S CA -0.601 57.776 58.200 0.296 0.000 1.116 380 S CB 0.753 64.124 63.200 0.285 0.000 0.979 380 S HN 0.687 nan 8.310 nan 0.000 0.465 381 Y N 3.819 124.106 120.300 -0.021 0.000 2.511 381 Y HA 0.215 4.766 4.550 0.001 0.000 0.332 381 Y C 0.003 175.987 175.900 0.141 0.000 1.177 381 Y CA -0.323 57.732 58.100 -0.075 0.000 1.422 381 Y CB 0.500 38.803 38.460 -0.262 0.000 1.271 381 Y HN 0.838 nan 8.280 nan 0.000 0.550 382 W N 8.692 129.721 121.300 -0.453 0.000 2.357 382 W HA 0.443 5.104 4.660 0.001 0.000 0.317 382 W C -1.118 175.478 176.519 0.129 0.000 1.101 382 W CA -0.024 57.283 57.345 -0.063 0.000 1.380 382 W CB 0.619 30.113 29.460 0.056 0.000 1.266 382 W HN 0.786 nan 8.180 nan 0.000 0.419 383 S N 1.561 117.261 115.700 -0.000 0.000 2.727 383 S HA 0.261 4.731 4.470 0.001 0.000 0.278 383 S C 0.578 175.168 174.600 -0.016 0.000 1.186 383 S CA -0.046 57.988 58.200 -0.277 0.000 0.836 383 S CB 1.192 63.556 63.200 -1.394 0.000 1.186 383 S HN 0.348 nan 8.310 nan 0.000 0.499 384 S N -0.592 114.986 115.700 -0.203 0.000 2.561 384 S HA 0.124 4.594 4.470 0.001 0.000 0.225 384 S C -0.060 174.432 174.600 -0.179 0.000 0.977 384 S CA 0.303 58.301 58.200 -0.336 0.000 0.926 384 S CB -1.082 61.904 63.200 -0.357 0.000 0.769 384 S HN 0.704 nan 8.310 nan 0.000 0.533 385 D N 4.254 124.520 120.400 -0.222 0.000 2.472 385 D HA 0.215 4.855 4.640 0.001 0.000 0.237 385 D C -2.361 173.911 176.300 -0.048 0.000 1.141 385 D CA -0.670 53.242 54.000 -0.146 0.000 0.875 385 D CB 0.301 40.965 40.800 -0.227 0.000 1.192 385 D HN 0.242 nan 8.370 nan 0.000 0.450 386 P HA 0.266 nan 4.420 nan 0.000 0.268 386 P C 0.122 177.444 177.300 0.037 0.000 1.204 386 P CA -0.126 62.997 63.100 0.038 0.000 0.768 386 P CB 1.025 32.743 31.700 0.030 0.000 0.842 387 G N 3.573 112.418 108.800 0.075 0.000 2.359 387 G HA2 0.048 4.009 3.960 0.001 0.000 0.314 387 G HA3 0.048 4.009 3.960 0.001 0.000 0.314 387 G C -2.686 172.310 174.900 0.160 0.000 1.364 387 G CA -0.655 44.505 45.100 0.101 0.000 0.978 387 G HN 0.219 nan 8.290 nan 0.000 0.615 388 P HA -0.014 nan 4.420 nan 0.000 0.225 388 P C 1.082 178.568 177.300 0.311 0.000 1.148 388 P CA 1.142 64.375 63.100 0.222 0.000 0.779 388 P CB 0.116 31.947 31.700 0.219 0.000 0.780 389 W N 1.181 122.551 121.300 0.116 0.000 2.436 389 W HA 0.165 4.826 4.660 0.001 0.000 0.284 389 W C 1.815 178.469 176.519 0.224 0.000 1.225 389 W CA 1.248 58.710 57.345 0.194 0.000 1.271 389 W CB -1.066 28.522 29.460 0.212 0.000 1.114 389 W HN -0.107 nan 8.180 nan 0.000 0.559 390 G N -0.039 108.959 108.800 0.329 0.000 2.537 390 G HA2 0.240 4.201 3.960 0.001 0.000 0.297 390 G HA3 0.240 4.201 3.960 0.001 0.000 0.297 390 G C -1.707 173.168 174.900 -0.043 0.000 1.310 390 G CA -0.728 44.465 45.100 0.156 0.000 1.027 390 G HN -0.196 nan 8.290 nan 0.000 0.505 391 P HA 0.038 nan 4.420 nan 0.000 0.225 391 P C -0.729 176.103 177.300 -0.780 0.000 1.156 391 P CA 0.984 63.759 63.100 -0.543 0.000 0.787 391 P CB 0.150 31.386 31.700 -0.774 0.000 0.802 392 Y N -1.249 119.025 120.300 -0.043 0.000 2.492 392 Y HA 0.377 4.928 4.550 0.001 0.000 0.346 392 Y C 0.842 176.742 175.900 -0.001 0.000 0.997 392 Y CA -1.297 56.791 58.100 -0.021 0.000 1.025 392 Y CB 1.150 39.588 38.460 -0.037 0.000 1.263 392 Y HN -0.321 nan 8.280 nan 0.000 0.454 393 L N 3.786 125.102 121.223 0.154 0.000 2.476 393 L HA 0.194 4.535 4.340 0.001 0.000 0.255 393 L C -1.391 175.534 176.870 0.091 0.000 1.218 393 L CA -1.577 53.325 54.840 0.104 0.000 0.819 393 L CB 0.435 42.542 42.059 0.081 0.000 1.119 393 L HN 0.444 nan 8.230 nan 0.000 0.485 394 P HA -0.203 nan 4.420 nan 0.000 0.217 394 P C 0.637 177.947 177.300 0.016 0.000 1.151 394 P CA 1.341 64.460 63.100 0.032 0.000 0.849 394 P CB -0.028 31.685 31.700 0.022 0.000 0.787 395 D N -2.121 118.293 120.400 0.022 0.000 2.349 395 D HA 0.057 4.697 4.640 0.001 0.000 0.224 395 D C 1.398 177.698 176.300 0.000 0.000 1.029 395 D CA 0.782 54.786 54.000 0.006 0.000 0.879 395 D CB -0.830 39.977 40.800 0.011 0.000 0.906 395 D HN 0.271 nan 8.370 nan 0.000 0.528 396 G N -0.649 108.163 108.800 0.019 0.000 2.179 396 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 396 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 396 G C 0.375 175.337 174.900 0.104 0.000 0.990 396 G CA 0.133 45.230 45.100 -0.004 0.000 0.646 396 G HN 0.438 nan 8.290 nan 0.000 0.517 397 T N 2.354 116.974 114.554 0.111 0.000 2.888 397 T HA 0.401 4.751 4.350 0.001 0.000 0.301 397 T C 0.627 175.434 174.700 0.178 0.000 1.001 397 T CA 0.225 62.398 62.100 0.121 0.000 1.147 397 T CB 1.004 69.916 68.868 0.074 0.000 0.931 397 T HN 0.452 nan 8.240 nan 0.000 0.541 398 Q N 2.100 122.000 119.800 0.167 0.000 2.337 398 Q HA 0.260 4.601 4.340 0.001 0.000 0.270 398 Q C 1.072 177.067 176.000 -0.008 0.000 1.002 398 Q CA -0.301 55.538 55.803 0.061 0.000 0.888 398 Q CB 0.527 29.292 28.738 0.045 0.000 1.222 398 Q HN 0.806 nan 8.270 nan 0.000 0.400 399 T N -1.166 113.337 114.554 -0.085 0.000 2.810 399 T HA 0.136 4.487 4.350 0.001 0.000 0.277 399 T C 1.011 175.677 174.700 -0.057 0.000 0.973 399 T CA -0.816 61.256 62.100 -0.048 0.000 0.949 399 T CB 0.472 69.313 68.868 -0.044 0.000 1.075 399 T HN 0.538 nan 8.240 nan 0.000 0.537 400 L N 0.125 121.331 121.223 -0.029 0.000 2.197 400 L HA -0.032 4.309 4.340 0.001 0.000 0.215 400 L C 2.154 178.992 176.870 -0.054 0.000 1.095 400 L CA 1.559 56.384 54.840 -0.024 0.000 0.764 400 L CB -1.306 40.752 42.059 -0.001 0.000 0.897 400 L HN 0.726 nan 8.230 nan 0.000 0.436 401 L N -1.551 119.614 121.223 -0.096 0.000 2.083 401 L HA -0.159 4.182 4.340 0.001 0.000 0.209 401 L C 2.389 179.184 176.870 -0.124 0.000 1.083 401 L CA 1.567 56.321 54.840 -0.143 0.000 0.752 401 L CB -0.532 41.394 42.059 -0.222 0.000 0.899 401 L HN 0.136 nan 8.230 nan 0.000 0.433 402 V N -0.435 119.399 119.914 -0.132 0.000 2.233 402 V HA -0.317 3.804 4.120 0.001 0.000 0.247 402 V C 2.183 178.257 176.094 -0.033 0.000 1.050 402 V CA 2.101 64.345 62.300 -0.093 0.000 1.010 402 V CB -0.694 31.064 31.823 -0.109 0.000 0.637 402 V HN 0.415 nan 8.190 nan 0.000 0.444 403 D N -0.346 120.041 120.400 -0.022 0.000 2.178 403 D HA -0.108 4.532 4.640 0.001 0.000 0.202 403 D C 2.266 178.560 176.300 -0.010 0.000 0.974 403 D CA 1.587 55.589 54.000 0.003 0.000 0.841 403 D CB -0.318 40.488 40.800 0.009 0.000 0.953 403 D HN 0.428 nan 8.370 nan 0.000 0.478 404 T N 0.621 115.151 114.554 -0.039 0.000 2.777 404 T HA -0.012 4.339 4.350 0.001 0.000 0.266 404 T C 2.078 176.704 174.700 -0.123 0.000 1.040 404 T CA 0.546 62.610 62.100 -0.060 0.000 1.141 404 T CB -0.031 68.805 68.868 -0.054 0.000 0.868 404 T HN 0.150 nan 8.240 nan 0.000 0.444 405 L N 0.750 121.881 121.223 -0.155 0.000 2.341 405 L HA 0.174 4.515 4.340 0.001 0.000 0.214 405 L C 1.177 177.992 176.870 -0.093 0.000 1.115 405 L CA 0.227 54.922 54.840 -0.242 0.000 0.820 405 L CB -0.351 41.556 42.059 -0.254 0.000 0.944 405 L HN 0.143 nan 8.230 nan 0.000 0.452 406 N N 1.825 120.532 118.700 0.012 0.000 3.050 406 N HA 0.049 4.790 4.740 0.001 0.000 0.289 406 N C -0.721 174.905 175.510 0.195 0.000 1.209 406 N CA 0.358 53.492 53.050 0.140 0.000 1.154 406 N CB 0.095 38.665 38.487 0.138 0.000 1.444 406 N HN -0.011 nan 8.380 nan 0.000 0.529 407 K N 1.533 122.077 120.400 0.239 0.000 2.395 407 K HA 0.535 4.856 4.320 0.001 0.000 0.247 407 K C -2.723 174.100 176.600 0.372 0.000 0.973 407 K CA -2.107 54.325 56.287 0.241 0.000 0.828 407 K CB 1.248 33.847 32.500 0.166 0.000 1.272 407 K HN 0.142 nan 8.250 nan 0.000 0.439 408 P HA 0.068 nan 4.420 nan 0.000 0.268 408 P C -1.084 176.418 177.300 0.338 0.000 1.205 408 P CA 0.251 63.445 63.100 0.156 0.000 0.771 408 P CB 0.038 31.755 31.700 0.029 0.000 0.858 409 Y N 0.508 120.821 120.300 0.022 0.000 2.581 409 Y HA 0.701 5.252 4.550 0.001 0.000 0.337 409 Y C -3.263 172.423 175.900 -0.356 0.000 1.108 409 Y CA -3.632 54.322 58.100 -0.244 0.000 1.033 409 Y CB 0.278 38.662 38.460 -0.127 0.000 1.318 409 Y HN 0.152 nan 8.280 nan 0.000 0.459 410 P HA 0.438 nan 4.420 nan 0.000 0.281 410 P C -0.310 176.721 177.300 -0.448 0.000 1.252 410 P CA -0.281 62.478 63.100 -0.568 0.000 0.778 410 P CB 1.628 32.959 31.700 -0.615 0.000 0.895 411 R N 2.507 122.763 120.500 -0.407 0.000 2.087 411 R HA 0.378 4.719 4.340 0.001 0.000 0.216 411 R C 0.312 176.538 176.300 -0.124 0.000 1.114 411 R CA 0.702 56.666 56.100 -0.226 0.000 1.002 411 R CB 0.209 30.370 30.300 -0.231 0.000 0.903 411 R HN 0.492 nan 8.270 nan 0.000 0.445 412 A N 0.884 123.613 122.820 -0.152 0.000 2.446 412 A HA 0.488 4.809 4.320 0.001 0.000 0.282 412 A C -1.074 176.424 177.584 -0.143 0.000 1.102 412 A CA -0.577 51.389 52.037 -0.118 0.000 0.737 412 A CB 1.515 20.473 19.000 -0.071 0.000 1.212 412 A HN -0.032 nan 8.150 nan 0.000 0.434 413 V N 1.892 121.704 119.914 -0.170 0.000 2.435 413 V HA 0.586 4.706 4.120 0.001 0.000 0.290 413 V C 0.935 176.950 176.094 -0.131 0.000 1.030 413 V CA -0.091 62.103 62.300 -0.176 0.000 0.881 413 V CB 1.661 33.340 31.823 -0.240 0.000 0.983 413 V HN 1.200 nan 8.190 nan 0.000 0.445 414 A N 4.141 126.900 122.820 -0.102 0.000 3.026 414 A HA 0.679 5.000 4.320 0.001 0.000 0.272 414 A C 0.871 178.414 177.584 -0.069 0.000 1.782 414 A CA 0.681 52.675 52.037 -0.071 0.000 1.451 414 A CB -1.070 17.896 19.000 -0.056 0.000 1.081 414 A HN 1.746 nan 8.150 nan 0.000 0.611 415 G N -0.356 108.396 108.800 -0.080 0.000 2.347 415 G HA2 0.226 4.187 3.960 0.001 0.000 0.341 415 G HA3 0.226 4.187 3.960 0.001 0.000 0.341 415 G C -0.525 174.302 174.900 -0.121 0.000 1.287 415 G CA -0.485 44.572 45.100 -0.073 0.000 0.984 415 G HN 0.542 nan 8.290 nan 0.000 0.526 416 T N 3.478 117.977 114.554 -0.092 0.000 2.749 416 T HA 0.571 4.922 4.350 0.001 0.000 0.295 416 T C -2.291 172.337 174.700 -0.120 0.000 0.936 416 T CA -0.576 61.447 62.100 -0.127 0.000 1.060 416 T CB 1.530 70.397 68.868 -0.001 0.000 0.904 416 T HN 0.476 nan 8.240 nan 0.000 0.500 417 P HA 0.150 nan 4.420 nan 0.000 0.276 417 P C 0.942 178.297 177.300 0.092 0.000 1.253 417 P CA -0.252 62.812 63.100 -0.060 0.000 0.766 417 P CB 0.722 32.363 31.700 -0.099 0.000 0.845 418 T N 0.270 114.886 114.554 0.103 0.000 3.031 418 T HA 0.074 4.425 4.350 0.001 0.000 0.254 418 T C 0.366 175.146 174.700 0.134 0.000 1.060 418 T CA 0.294 62.462 62.100 0.114 0.000 1.135 418 T CB -0.169 68.742 68.868 0.072 0.000 0.896 418 T HN 0.580 nan 8.240 nan 0.000 0.472 419 E N -0.223 120.074 120.200 0.163 0.000 2.388 419 E HA 0.512 4.863 4.350 0.001 0.000 0.280 419 E C -1.537 175.227 176.600 0.274 0.000 1.019 419 E CA -1.445 55.045 56.400 0.149 0.000 0.806 419 E CB 1.009 30.748 29.700 0.065 0.000 1.246 419 E HN 0.503 nan 8.360 nan 0.000 0.443 420 W N 0.752 122.073 121.300 0.035 0.000 3.025 420 W HA 0.753 5.414 4.660 0.001 0.000 0.343 420 W C -1.636 174.907 176.519 0.040 0.000 1.246 420 W CA -0.700 56.664 57.345 0.032 0.000 1.178 420 W CB 0.941 30.421 29.460 0.034 0.000 1.463 420 W HN 0.984 nan 8.180 nan 0.000 0.578 421 S N 0.790 116.654 115.700 0.274 0.000 2.550 421 S HA 0.789 5.260 4.470 0.001 0.000 0.270 421 S C -0.931 173.835 174.600 0.277 0.000 1.145 421 S CA -0.411 57.847 58.200 0.098 0.000 0.852 421 S CB 1.702 64.925 63.200 0.038 0.000 1.119 421 S HN 1.283 nan 8.310 nan 0.000 0.465 422 S N 0.148 115.973 115.700 0.208 0.000 2.550 422 S HA 0.897 5.367 4.470 0.001 0.000 0.270 422 S C -0.474 174.213 174.600 0.145 0.000 1.145 422 S CA -0.211 58.127 58.200 0.230 0.000 0.852 422 S CB 1.334 64.743 63.200 0.348 0.000 1.119 422 S HN 1.730 nan 8.310 nan 0.000 0.465 423 T N -1.103 113.531 114.554 0.135 0.000 2.773 423 T HA 0.593 4.944 4.350 0.001 0.000 0.278 423 T C 1.065 175.834 174.700 0.114 0.000 1.011 423 T CA -0.218 61.938 62.100 0.094 0.000 1.014 423 T CB 0.813 69.714 68.868 0.056 0.000 1.293 423 T HN 0.532 nan 8.240 nan 0.000 0.554 424 S N 1.221 116.965 115.700 0.073 0.000 2.402 424 S HA -0.093 4.378 4.470 0.001 0.000 0.233 424 S C 0.995 175.623 174.600 0.047 0.000 1.030 424 S CA 1.776 60.018 58.200 0.070 0.000 1.003 424 S CB -0.543 62.671 63.200 0.024 0.000 0.813 424 S HN 0.955 nan 8.310 nan 0.000 0.477 425 D N -0.546 119.828 120.400 -0.043 0.000 2.720 425 D HA 0.268 4.909 4.640 0.001 0.000 0.285 425 D C 0.093 176.303 176.300 -0.150 0.000 1.359 425 D CA -0.352 53.455 54.000 -0.322 0.000 0.818 425 D CB -0.046 40.530 40.800 -0.374 0.000 1.108 425 D HN 0.144 nan 8.370 nan 0.000 0.474 426 R N -0.152 120.444 120.500 0.159 0.000 2.594 426 R HA 0.589 4.930 4.340 0.001 0.000 0.265 426 R C -2.291 174.146 176.300 0.227 0.000 1.070 426 R CA -0.818 55.407 56.100 0.209 0.000 0.909 426 R CB 1.579 31.934 30.300 0.091 0.000 1.243 426 R HN 0.149 nan 8.270 nan 0.000 0.455 427 L N 2.596 123.930 121.223 0.185 0.000 2.408 427 L HA 0.543 4.883 4.340 0.001 0.000 0.268 427 L C -1.522 175.409 176.870 0.100 0.000 0.986 427 L CA -0.296 54.625 54.840 0.134 0.000 0.820 427 L CB 2.119 44.200 42.059 0.035 0.000 1.303 427 L HN 0.746 nan 8.230 nan 0.000 0.411 428 Q N 3.788 123.671 119.800 0.138 0.000 2.347 428 Q HA 0.658 4.999 4.340 0.001 0.000 0.271 428 Q C -2.056 174.039 176.000 0.158 0.000 1.064 428 Q CA -0.805 55.063 55.803 0.107 0.000 0.800 428 Q CB 2.484 31.277 28.738 0.092 0.000 1.304 428 Q HN 0.666 nan 8.270 nan 0.000 0.438 429 L N 2.081 123.362 121.223 0.097 0.000 2.464 429 L HA 0.607 4.948 4.340 0.001 0.000 0.266 429 L C -1.544 175.363 176.870 0.061 0.000 0.965 429 L CA 0.123 55.028 54.840 0.108 0.000 0.833 429 L CB 2.612 44.667 42.059 -0.006 0.000 1.296 429 L HN 0.588 nan 8.230 nan 0.000 0.405 430 T N 6.151 120.756 114.554 0.085 0.000 2.797 430 T HA 0.692 5.042 4.350 0.001 0.000 0.279 430 T C -0.327 174.390 174.700 0.029 0.000 0.991 430 T CA -0.104 62.024 62.100 0.047 0.000 0.979 430 T CB 0.894 69.794 68.868 0.054 0.000 0.943 430 T HN 0.464 nan 8.240 nan 0.000 0.444 431 I N 2.260 122.830 120.570 0.001 0.000 2.436 431 I HA 0.333 4.503 4.170 0.001 0.000 0.289 431 I C 0.285 176.395 176.117 -0.012 0.000 1.010 431 I CA -0.814 60.474 61.300 -0.022 0.000 1.098 431 I CB 2.067 40.041 38.000 -0.045 0.000 1.266 431 I HN 0.567 nan 8.210 nan 0.000 0.434 432 E N 8.621 128.815 120.200 -0.010 0.000 2.180 432 E HA 0.267 4.617 4.350 0.001 0.000 0.283 432 E C -2.250 174.342 176.600 -0.013 0.000 1.061 432 E CA -1.772 54.626 56.400 -0.003 0.000 0.861 432 E CB 0.920 30.626 29.700 0.010 0.000 1.056 432 E HN 0.251 nan 8.360 nan 0.000 0.407 433 P HA 0.092 nan 4.420 nan 0.000 0.272 433 P C -0.849 176.445 177.300 -0.010 0.000 1.230 433 P CA -0.061 63.030 63.100 -0.015 0.000 0.788 433 P CB 0.798 32.491 31.700 -0.011 0.000 0.949 434 D N 0.434 120.826 120.400 -0.013 0.000 2.386 434 D HA 0.341 4.982 4.640 0.001 0.000 0.247 434 D C 0.789 177.085 176.300 -0.007 0.000 1.336 434 D CA -0.690 53.306 54.000 -0.007 0.000 0.976 434 D CB 1.175 41.971 40.800 -0.007 0.000 1.257 434 D HN 0.230 nan 8.370 nan 0.000 0.570 435 A N 2.953 125.771 122.820 -0.004 0.000 2.070 435 A HA 0.071 4.391 4.320 0.001 0.000 0.220 435 A C 1.987 179.570 177.584 -0.003 0.000 1.159 435 A CA 1.644 53.679 52.037 -0.004 0.000 0.656 435 A CB -0.182 18.816 19.000 -0.002 0.000 0.800 435 A HN 0.579 nan 8.150 nan 0.000 0.453 436 A N -0.383 122.437 122.820 -0.000 0.000 2.067 436 A HA 0.189 4.510 4.320 0.001 0.000 0.219 436 A C 0.969 178.553 177.584 0.001 0.000 1.158 436 A CA 0.361 52.399 52.037 0.002 0.000 0.661 436 A CB -0.381 18.623 19.000 0.006 0.000 0.801 436 A HN 0.470 nan 8.150 nan 0.000 0.452 437 I N 1.092 121.661 120.570 -0.003 0.000 2.352 437 I HA 0.089 4.259 4.170 0.001 0.000 0.290 437 I C 1.474 177.586 176.117 -0.008 0.000 1.036 437 I CA 0.228 61.525 61.300 -0.006 0.000 1.336 437 I CB 1.499 39.491 38.000 -0.013 0.000 1.407 437 I HN 0.306 nan 8.210 nan 0.000 0.497 438 T N 1.652 116.202 114.554 -0.006 0.000 3.014 438 T HA 0.297 4.647 4.350 0.001 0.000 0.250 438 T C 0.797 175.492 174.700 -0.009 0.000 1.060 438 T CA -0.175 61.921 62.100 -0.006 0.000 1.040 438 T CB 0.299 69.166 68.868 -0.002 0.000 0.971 438 T HN 0.550 nan 8.240 nan 0.000 0.497 439 A N 3.623 126.437 122.820 -0.009 0.000 2.407 439 A HA 0.613 4.933 4.320 0.001 0.000 0.248 439 A C -2.106 175.465 177.584 -0.022 0.000 1.082 439 A CA -1.454 50.576 52.037 -0.012 0.000 0.785 439 A CB -0.010 18.984 19.000 -0.009 0.000 1.020 439 A HN 0.346 nan 8.150 nan 0.000 0.489 440 P HA 0.217 nan 4.420 nan 0.000 0.276 440 P C -0.273 176.996 177.300 -0.051 0.000 1.252 440 P CA -0.173 62.906 63.100 -0.034 0.000 0.802 440 P CB 0.420 32.104 31.700 -0.027 0.000 1.035 441 T N 1.296 115.810 114.554 -0.068 0.000 2.901 441 T HA 0.120 4.470 4.350 0.001 0.000 0.301 441 T C 0.136 174.776 174.700 -0.100 0.000 1.012 441 T CA 0.214 62.257 62.100 -0.095 0.000 1.135 441 T CB 0.054 68.854 68.868 -0.113 0.000 0.936 441 T HN 0.414 nan 8.240 nan 0.000 0.539 442 E N 3.199 123.330 120.200 -0.116 0.000 2.176 442 E HA 0.545 4.896 4.350 0.001 0.000 0.267 442 E C -1.153 175.340 176.600 -0.178 0.000 0.893 442 E CA -0.589 55.745 56.400 -0.109 0.000 0.761 442 E CB 0.853 30.507 29.700 -0.077 0.000 1.133 442 E HN 0.525 nan 8.360 nan 0.000 0.409 443 I N 3.921 124.384 120.570 -0.179 0.000 2.582 443 I HA 0.220 4.391 4.170 0.001 0.000 0.292 443 I C -1.184 174.804 176.117 -0.214 0.000 1.066 443 I CA -1.121 60.015 61.300 -0.273 0.000 1.053 443 I CB 1.701 39.528 38.000 -0.290 0.000 1.241 443 I HN 0.562 nan 8.210 nan 0.000 0.421 444 Y N 6.951 126.973 120.300 -0.464 0.000 2.313 444 Y HA 0.645 5.196 4.550 0.001 0.000 0.332 444 Y C -1.311 174.439 175.900 -0.249 0.000 1.071 444 Y CA -0.581 57.328 58.100 -0.319 0.000 1.169 444 Y CB 0.759 38.958 38.460 -0.436 0.000 1.192 444 Y HN 0.339 nan 8.280 nan 0.000 0.487 445 L N 9.587 130.290 121.223 -0.866 0.000 2.372 445 L HA 0.464 4.804 4.340 0.001 0.000 0.274 445 L C -2.414 173.962 176.870 -0.823 0.000 0.988 445 L CA -2.287 51.996 54.840 -0.928 0.000 0.833 445 L CB 2.035 43.456 42.059 -1.063 0.000 1.236 445 L HN 0.546 nan 8.230 nan 0.000 0.410 446 P HA 0.019 nan 4.420 nan 0.000 0.271 446 P C 0.189 177.556 177.300 0.112 0.000 1.218 446 P CA -0.110 62.882 63.100 -0.180 0.000 0.780 446 P CB 1.260 32.986 31.700 0.044 0.000 0.901 447 E N 2.365 122.646 120.200 0.134 0.000 2.204 447 E HA -0.161 4.189 4.350 0.001 0.000 0.194 447 E C 1.913 178.599 176.600 0.143 0.000 0.989 447 E CA 1.069 57.570 56.400 0.168 0.000 0.824 447 E CB -0.323 29.451 29.700 0.123 0.000 0.756 447 E HN 0.499 nan 8.360 nan 0.000 0.477 448 A N 0.599 123.488 122.820 0.115 0.000 1.873 448 A HA -0.181 4.140 4.320 0.001 0.000 0.218 448 A C 2.348 179.957 177.584 0.041 0.000 1.193 448 A CA 2.037 54.120 52.037 0.075 0.000 0.629 448 A CB -1.137 17.906 19.000 0.072 0.000 0.826 448 A HN 0.439 nan 8.150 nan 0.000 0.447 449 G N -2.887 105.944 108.800 0.051 0.000 2.662 449 G HA2 0.308 4.269 3.960 0.001 0.000 0.212 449 G HA3 0.308 4.269 3.960 0.001 0.000 0.212 449 G C 0.190 174.865 174.900 -0.374 0.000 1.141 449 G CA 0.095 45.109 45.100 -0.143 0.000 0.797 449 G HN 0.337 nan 8.290 nan 0.000 0.531 450 F N 1.232 121.189 119.950 0.011 0.000 2.449 450 F HA 0.334 4.862 4.527 0.001 0.000 0.329 450 F C -1.515 174.357 175.800 0.121 0.000 1.245 450 F CA -2.295 55.727 58.000 0.038 0.000 1.193 450 F CB 2.140 41.135 39.000 -0.009 0.000 1.425 450 F HN -0.059 nan 8.300 nan 0.000 0.544 451 P HA 0.077 nan 4.420 nan 0.000 0.233 451 P C 0.889 178.292 177.300 0.172 0.000 1.167 451 P CA 0.848 64.035 63.100 0.146 0.000 0.770 451 P CB 0.882 32.624 31.700 0.070 0.000 0.837 452 G N -0.820 108.115 108.800 0.225 0.000 3.359 452 G HA2 0.184 4.145 3.960 0.001 0.000 0.187 452 G HA3 0.184 4.145 3.960 0.001 0.000 0.187 452 G C -0.940 174.206 174.900 0.410 0.000 1.294 452 G CA 0.038 45.278 45.100 0.234 0.000 0.769 452 G HN 0.019 nan 8.290 nan 0.000 0.733 453 D N -0.371 120.215 120.400 0.309 0.000 2.423 453 D HA 0.481 5.122 4.640 0.001 0.000 0.255 453 D C 0.428 176.809 176.300 0.135 0.000 1.174 453 D CA -0.112 54.085 54.000 0.328 0.000 1.008 453 D CB 1.666 42.591 40.800 0.208 0.000 1.101 453 D HN 0.410 nan 8.370 nan 0.000 0.516 454 V N -0.868 119.001 119.914 -0.076 0.000 2.881 454 V HA 0.481 4.602 4.120 0.001 0.000 0.316 454 V C -0.428 175.666 176.094 0.001 0.000 1.070 454 V CA -0.673 61.534 62.300 -0.154 0.000 0.976 454 V CB 1.739 33.234 31.823 -0.546 0.000 1.038 454 V HN 0.616 nan 8.190 nan 0.000 0.446 455 H N 1.887 120.925 119.070 -0.054 0.000 2.539 455 H HA 0.711 5.268 4.556 0.001 0.000 0.332 455 H C -1.834 173.463 175.328 -0.051 0.000 1.031 455 H CA -0.416 55.609 56.048 -0.039 0.000 1.206 455 H CB 1.994 31.746 29.762 -0.018 0.000 1.446 455 H HN 0.645 nan 8.280 nan 0.000 0.496 456 V N 6.195 125.825 119.914 -0.475 0.000 2.444 456 V HA 0.222 4.343 4.120 0.001 0.000 0.294 456 V C -0.237 175.622 176.094 -0.392 0.000 1.022 456 V CA -0.745 61.352 62.300 -0.338 0.000 0.850 456 V CB 1.783 33.470 31.823 -0.228 0.000 0.992 456 V HN 0.766 nan 8.190 nan 0.000 0.426 457 E N 2.730 122.776 120.200 -0.257 0.000 2.183 457 E HA 0.593 4.944 4.350 0.001 0.000 0.271 457 E C 0.854 177.397 176.600 -0.095 0.000 0.919 457 E CA 0.042 56.346 56.400 -0.160 0.000 0.781 457 E CB 1.936 31.591 29.700 -0.075 0.000 1.140 457 E HN 0.989 nan 8.360 nan 0.000 0.402 458 G N 1.627 110.383 108.800 -0.074 0.000 2.175 458 G HA2 -0.186 3.774 3.960 0.001 0.000 0.244 458 G HA3 -0.186 3.774 3.960 0.001 0.000 0.244 458 G C 0.047 174.912 174.900 -0.057 0.000 0.982 458 G CA 0.020 45.089 45.100 -0.052 0.000 0.641 458 G HN 0.821 nan 8.290 nan 0.000 0.527 459 A N -0.684 122.091 122.820 -0.075 0.000 2.609 459 A HA 0.673 4.994 4.320 0.001 0.000 0.291 459 A C -1.458 176.081 177.584 -0.075 0.000 1.096 459 A CA -0.353 51.642 52.037 -0.071 0.000 0.684 459 A CB 1.163 20.116 19.000 -0.078 0.000 1.282 459 A HN 0.107 nan 8.150 nan 0.000 0.412 460 D N 1.008 121.372 120.400 -0.059 0.000 2.225 460 D HA 0.412 5.053 4.640 0.001 0.000 0.248 460 D C -0.148 176.121 176.300 -0.052 0.000 1.096 460 D CA 0.019 53.989 54.000 -0.051 0.000 0.863 460 D CB 1.788 42.568 40.800 -0.034 0.000 1.156 460 D HN 0.202 nan 8.370 nan 0.000 0.450 461 V N 2.968 122.852 119.914 -0.050 0.000 2.521 461 V HA -0.017 4.103 4.120 0.001 0.000 0.286 461 V C 1.467 177.557 176.094 -0.006 0.000 1.034 461 V CA -0.126 62.152 62.300 -0.036 0.000 1.045 461 V CB 1.329 33.134 31.823 -0.029 0.000 0.974 461 V HN 0.403 nan 8.190 nan 0.000 0.480 462 V N 4.029 123.944 119.914 0.001 0.000 2.492 462 V HA 0.388 4.509 4.120 0.001 0.000 0.241 462 V C 1.046 177.162 176.094 0.036 0.000 1.041 462 V CA 1.387 63.694 62.300 0.012 0.000 1.057 462 V CB 0.064 31.889 31.823 0.003 0.000 0.711 462 V HN 0.954 nan 8.190 nan 0.000 0.468 463 G N -1.788 107.050 108.800 0.063 0.000 2.720 463 G HA2 0.476 4.436 3.960 0.001 0.000 0.295 463 G HA3 0.476 4.436 3.960 0.001 0.000 0.295 463 G C -2.206 172.824 174.900 0.217 0.000 1.437 463 G CA -0.444 44.718 45.100 0.104 0.000 0.886 463 G HN 0.149 nan 8.290 nan 0.000 0.509 464 W N 3.284 124.567 121.300 -0.028 0.000 2.591 464 W HA 0.428 5.089 4.660 0.001 0.000 0.311 464 W C -1.721 174.788 176.519 -0.017 0.000 1.003 464 W CA -0.806 56.519 57.345 -0.034 0.000 1.332 464 W CB 1.769 31.210 29.460 -0.032 0.000 1.272 464 W HN 0.466 nan 8.180 nan 0.000 0.412 465 D N 5.246 125.489 120.400 -0.261 0.000 2.396 465 D HA 0.199 4.840 4.640 0.001 0.000 0.225 465 D C 1.082 176.868 176.300 -0.857 0.000 1.121 465 D CA -0.026 53.719 54.000 -0.425 0.000 0.853 465 D CB 1.085 41.793 40.800 -0.152 0.000 1.043 465 D HN 0.533 nan 8.370 nan 0.000 0.500 466 R N 2.157 122.108 120.500 -0.915 0.000 2.276 466 R HA 0.011 4.352 4.340 0.001 0.000 0.203 466 R C 1.566 177.642 176.300 -0.374 0.000 1.017 466 R CA 0.612 56.193 56.100 -0.865 0.000 1.010 466 R CB 0.539 30.476 30.300 -0.605 0.000 0.900 466 R HN 0.536 nan 8.270 nan 0.000 0.469 467 Q N -0.162 119.489 119.800 -0.248 0.000 2.200 467 Q HA -0.013 4.328 4.340 0.001 0.000 0.197 467 Q C 2.098 178.102 176.000 0.008 0.000 0.953 467 Q CA 1.417 57.167 55.803 -0.089 0.000 0.851 467 Q CB 0.235 28.935 28.738 -0.063 0.000 0.938 467 Q HN 0.276 nan 8.270 nan 0.000 0.488 468 S N 0.038 115.747 115.700 0.014 0.000 2.489 468 S HA -0.025 4.446 4.470 0.001 0.000 0.228 468 S C 0.638 175.383 174.600 0.242 0.000 0.995 468 S CA 0.095 58.400 58.200 0.175 0.000 0.934 468 S CB 0.165 63.432 63.200 0.112 0.000 0.771 468 S HN 0.215 nan 8.310 nan 0.000 0.522 469 R N -0.174 120.360 120.500 0.056 0.000 3.872 469 R HA -0.081 4.260 4.340 0.001 0.000 0.341 469 R C -1.008 175.481 176.300 0.314 0.000 1.172 469 R CA 0.569 56.751 56.100 0.137 0.000 0.901 469 R CB -2.897 27.567 30.300 0.273 0.000 1.422 469 R HN 0.542 nan 8.270 nan 0.000 0.523 470 L N 1.198 122.561 121.223 0.232 0.000 2.265 470 L HA 0.437 4.778 4.340 0.001 0.000 0.289 470 L C 0.382 177.461 176.870 0.348 0.000 1.033 470 L CA -0.999 53.983 54.840 0.236 0.000 0.814 470 L CB 1.238 43.378 42.059 0.136 0.000 1.203 470 L HN -0.077 nan 8.230 nan 0.000 0.423 471 L N 4.257 125.643 121.223 0.271 0.000 2.289 471 L HA 0.543 4.883 4.340 0.001 0.000 0.285 471 L C 0.165 177.048 176.870 0.022 0.000 1.049 471 L CA 0.317 55.252 54.840 0.158 0.000 0.804 471 L CB 1.639 43.570 42.059 -0.213 0.000 1.195 471 L HN 0.643 nan 8.230 nan 0.000 0.428 472 T N 3.248 117.824 114.554 0.036 0.000 2.807 472 T HA 0.745 5.096 4.350 0.001 0.000 0.279 472 T C -0.348 174.334 174.700 -0.031 0.000 0.993 472 T CA -0.501 61.593 62.100 -0.010 0.000 0.970 472 T CB 1.354 70.227 68.868 0.008 0.000 0.950 472 T HN 0.738 nan 8.240 nan 0.000 0.441 473 V N 0.324 120.203 119.914 -0.057 0.000 3.040 473 V HA 0.831 4.952 4.120 0.001 0.000 0.312 473 V C -0.704 175.357 176.094 -0.054 0.000 1.115 473 V CA -1.476 60.786 62.300 -0.063 0.000 0.998 473 V CB 2.129 33.897 31.823 -0.093 0.000 1.042 473 V HN 1.096 nan 8.190 nan 0.000 0.433 474 R N 1.123 121.594 120.500 -0.048 0.000 2.599 474 R HA 0.794 5.135 4.340 0.001 0.000 0.295 474 R C -0.681 175.594 176.300 -0.042 0.000 0.963 474 R CA 0.100 56.176 56.100 -0.040 0.000 0.883 474 R CB 2.143 32.426 30.300 -0.029 0.000 1.171 474 R HN 1.162 nan 8.270 nan 0.000 0.450 475 T N 1.018 115.549 114.554 -0.039 0.000 2.907 475 T HA 0.574 4.925 4.350 0.001 0.000 0.292 475 T C -2.361 172.322 174.700 -0.028 0.000 1.043 475 T CA -1.707 60.371 62.100 -0.036 0.000 1.003 475 T CB 1.653 70.497 68.868 -0.040 0.000 1.084 475 T HN 0.395 nan 8.240 nan 0.000 0.483 476 P HA 0.424 nan 4.420 nan 0.000 0.272 476 P C 0.042 177.332 177.300 -0.016 0.000 1.223 476 P CA -0.615 62.475 63.100 -0.017 0.000 0.784 476 P CB 0.784 32.475 31.700 -0.015 0.000 0.923 477 A N 1.343 124.156 122.820 -0.013 0.000 2.390 477 A HA 0.079 4.400 4.320 0.001 0.000 0.232 477 A C 0.825 178.405 177.584 -0.007 0.000 1.233 477 A CA 0.156 52.187 52.037 -0.011 0.000 0.907 477 A CB -0.231 18.763 19.000 -0.010 0.000 0.967 477 A HN 0.585 nan 8.150 nan 0.000 0.512 478 D N -1.502 118.894 120.400 -0.007 0.000 2.501 478 D HA 0.180 4.820 4.640 0.001 0.000 0.224 478 D C 0.161 176.459 176.300 -0.004 0.000 1.202 478 D CA 0.295 54.292 54.000 -0.004 0.000 0.829 478 D CB -0.179 40.618 40.800 -0.004 0.000 1.023 478 D HN 0.011 nan 8.370 nan 0.000 0.499 479 S N -0.115 115.582 115.700 -0.005 0.000 2.843 479 S HA 0.582 5.053 4.470 0.001 0.000 0.249 479 S C 0.812 175.410 174.600 -0.003 0.000 1.047 479 S CA -0.210 57.987 58.200 -0.004 0.000 1.042 479 S CB 0.890 64.086 63.200 -0.006 0.000 0.936 479 S HN 0.713 nan 8.310 nan 0.000 0.531 480 G N 2.715 111.514 108.800 -0.002 0.000 2.645 480 G HA2 -0.236 3.725 3.960 0.001 0.000 0.239 480 G HA3 -0.236 3.725 3.960 0.001 0.000 0.239 480 G C -0.731 174.168 174.900 -0.001 0.000 1.331 480 G CA -0.843 44.257 45.100 0.000 0.000 0.890 480 G HN 0.406 nan 8.290 nan 0.000 0.572 481 N N -0.418 118.284 118.700 0.002 0.000 2.492 481 N HA 0.416 5.157 4.740 0.001 0.000 0.262 481 N C 0.142 175.652 175.510 -0.000 0.000 1.202 481 N CA 0.055 53.106 53.050 0.003 0.000 0.926 481 N CB 1.397 39.889 38.487 0.010 0.000 1.078 481 N HN 0.669 nan 8.380 nan 0.000 0.454 482 V N 1.689 121.600 119.914 -0.005 0.000 2.495 482 V HA 0.371 4.492 4.120 0.001 0.000 0.298 482 V C 0.188 176.278 176.094 -0.006 0.000 1.031 482 V CA -0.664 61.630 62.300 -0.009 0.000 0.871 482 V CB 1.862 33.673 31.823 -0.019 0.000 0.988 482 V HN 0.577 nan 8.190 nan 0.000 0.432 483 T N 4.438 118.989 114.554 -0.004 0.000 2.758 483 T HA 0.540 4.891 4.350 0.001 0.000 0.285 483 T C -0.309 174.385 174.700 -0.011 0.000 0.981 483 T CA -0.282 61.819 62.100 0.003 0.000 0.965 483 T CB 1.314 70.190 68.868 0.013 0.000 0.927 483 T HN 0.367 nan 8.240 nan 0.000 0.448 484 V N 4.205 124.109 119.914 -0.016 0.000 2.398 484 V HA 0.531 4.652 4.120 0.001 0.000 0.286 484 V C 0.204 176.284 176.094 -0.024 0.000 1.026 484 V CA -0.684 61.594 62.300 -0.038 0.000 0.868 484 V CB 1.755 33.541 31.823 -0.063 0.000 0.982 484 V HN 0.942 nan 8.190 nan 0.000 0.443 485 T N 4.254 118.790 114.554 -0.030 0.000 2.812 485 T HA 0.609 4.960 4.350 0.001 0.000 0.282 485 T C -0.540 174.149 174.700 -0.019 0.000 0.990 485 T CA -0.438 61.661 62.100 -0.002 0.000 0.960 485 T CB 1.659 70.541 68.868 0.023 0.000 0.948 485 T HN 0.343 nan 8.240 nan 0.000 0.438 486 V N 4.119 124.036 119.914 0.004 0.000 2.444 486 V HA 0.762 4.883 4.120 0.001 0.000 0.294 486 V C 0.288 176.490 176.094 0.181 0.000 1.022 486 V CA -0.756 61.545 62.300 0.002 0.000 0.850 486 V CB 1.537 33.274 31.823 -0.143 0.000 0.992 486 V HN 1.127 nan 8.190 nan 0.000 0.426 487 T N 3.287 117.979 114.554 0.230 0.000 2.865 487 T HA 0.714 5.065 4.350 0.001 0.000 0.294 487 T C -3.199 171.616 174.700 0.193 0.000 1.119 487 T CA -2.510 59.716 62.100 0.211 0.000 1.007 487 T CB 2.396 71.323 68.868 0.098 0.000 1.225 487 T HN 0.342 nan 8.240 nan 0.000 0.515 488 P HA 0.436 nan 4.420 nan 0.000 0.271 488 P C -0.382 176.917 177.300 -0.002 0.000 1.216 488 P CA -0.319 62.721 63.100 -0.101 0.000 0.776 488 P CB 0.152 31.656 31.700 -0.326 0.000 0.881 489 A N 2.863 125.714 122.820 0.051 0.000 2.466 489 A HA 0.454 4.775 4.320 0.001 0.000 0.238 489 A C 0.809 178.388 177.584 -0.009 0.000 1.074 489 A CA 0.165 52.228 52.037 0.043 0.000 0.774 489 A CB -0.485 18.561 19.000 0.076 0.000 1.015 489 A HN 0.633 nan 8.150 nan 0.000 0.498 490 A N 0.000 122.799 122.820 -0.035 0.000 2.254 490 A HA 0.000 4.321 4.320 0.001 0.000 0.244 490 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 490 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486